*HEADER    CHAPERONE, PROTEIN TRANSPORT            21-DEC-15   2NA4              
*TITLE     CURLI SECRETION SPECIFICITY FACTOR CSGE W48A/F79A MUTANT              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CURLI PRODUCTION ASSEMBLY/TRANSPORT COMPONENT CSGE;        
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_TAXID: 83333;                                               
*SOURCE   4 STRAIN: K-12;                                                        
*SOURCE   5 VARIANT: MC4100;                                                     
*SOURCE   6 GENE: B1039, CSGE, JW1022;                                           
*SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   8 EXPRESSION_SYSTEM_TAXID: 469008;                                     
*SOURCE   9 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET11D                                     
*KEYWDS    CURLI ASSEMBLY, CURLI TRANSPORT CHANNEL COMPONENT, CURLI PRODUCTION   
*KEYWDS   2 REGULATOR, CHAPERONE, PROTEIN TRANSPORT                              
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    Q.SHU, A.M.KREZEL, C.FRIEDEN                                          
*REVDAT   1   15-JUN-16 2NA4    0                                                


#
#  15 VAL  QG2    16 SER  H       4.26             (#peak 24 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 24, nxpk= 0, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 218, 219, 220,
 &end
#
#  15 VAL  QG1    16 SER  H       4.26             (#peak 25 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 25, nxpk= 0, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 214, 215, 216,
 &end
#
#  14 THR  QG2    16 SER  H       5.50             (#peak 26 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 26, nxpk= 0, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 200, 201, 202,
 &end
#
#  42 GLU  HB3    16 SER  H       5.50             (#peak 27 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 27, nxpk= 0, iat= 630, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  42 GLU  HB2    16 SER  H       5.50             (#peak 3027 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 3027, nxpk= 0, iat= 629, 224, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  16 SER  H      42 GLU  HG2     3.79             (#peak 28 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 28, nxpk= 0, iat= 224, 632, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  16 SER  H      42 GLU  HG3     4.88             (#peak 29 #SUP 0.72 #QF 0.72)
 &rst
  ixpk= 29, nxpk= 0, iat= 224, 633, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#  16 SER  H      19 GLY  HA3     5.11             (#peak 30 #SUP 0.97 #QF 0.91)
 &rst
  ixpk= 30, nxpk= 0, iat= 224, 268, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#  16 SER  H      20 HIS  HB3     5.29             (#peak 30 #SUP 0.97 #QF 0.91)
 &rst
  ixpk= 30, nxpk= 0, iat= 224, 277, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  14 THR  HB     16 SER  H       5.00             (#peak 33 #SUP 0.76 #QF 0.76)
 &rst
  ixpk= 33, nxpk= 0, iat= 198, 224, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  14 THR  HA     16 SER  H       4.98             (#peak 34 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 34, nxpk= 0, iat= 196, 224, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  16 SER  H      20 HIS  HA      4.07             (#peak 36 #SUP 0.62 #QF 0.62)
 &rst
  ixpk= 36, nxpk= 0, iat= 224, 274, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  16 SER  H      19 GLY  H       4.80             (#peak 37 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 37, nxpk= 0, iat= 224, 265, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  15 VAL  H      16 SER  H       3.87             (#peak 38 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 38, nxpk= 0, iat= 208, 224, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  54 ILE  H      55 THR  H       4.59             (#peak 44 #SUP 0.50 #QF 0.50)
 &rst
  ixpk= 44, nxpk= 0, iat= 808, 827, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  38 LEU  HA     55 THR  H       4.84             (#peak 50 #SUP 0.68 #QF 0.68)
 &rst
  ixpk= 50, nxpk= 0, iat= 561, 827, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  39 THR  HB     55 THR  H       5.50             (#peak 52 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 52, nxpk= 0, iat= 582, 827, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  55 THR  H      56 VAL  H       4.51             (#peak 60 #SUP 0.68 #QF 0.68)
 &rst
  ixpk= 60, nxpk= 0, iat= 827, 841, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  57 ASN  H      58 GLN  H       4.07             (#peak 64 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 64, nxpk= 0, iat= 857, 871, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  56 VAL  H      57 ASN  H       4.4              (#peak 65 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 65, nxpk= 0, iat= 841, 857, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  57 ASN  H      59 ASP  H       4.50             (#peak 66 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 66, nxpk= 0, iat= 857, 888, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  38 LEU  HA     57 ASN  H       4.20             (#peak 67 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 67, nxpk= 0, iat= 561, 857, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  56 VAL  HA     57 ASN  H       2.78             (#peak 69 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 69, nxpk= 0, iat= 843, 857, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28,  &end
#
#  57 ASN  H      57 ASN  HA      2.81             (#peak 71 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 71, nxpk= 0, iat= 857, 859, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,  &end
#
#  39 THR  HB     57 ASN  H       5.50             (#peak 72 #SUP 0.60 #QF 0.60)
 &rst
  ixpk= 72, nxpk= 0, iat= 582, 857, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  55 THR  HB     57 ASN  H       5.5              (#peak 73 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 73, nxpk= 0, iat= 831, 857, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  57 ASN  H      57 ASN  HB2     4.07             (#peak 75 #SUP 1.00)
 &rst
  ixpk= 75, nxpk= 0, iat= 857, 861, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  56 VAL  QQG    57 ASN  H       3.49             (#peak 79 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 79, nxpk= 0, iat= 844, 857, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,  &end
#
#  10 LEU  HA     11 THR  H       2.98             (#peak 81 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 81, nxpk= 0, iat= 134, 151, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
#  11 THR  H      12 ASP  H       4.48             (#peak 85 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 85, nxpk= 0, iat= 151, 165, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  10 LEU  H      11 THR  H       4.40             (#peak 88 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 88, nxpk= 0, iat= 132, 151, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  11 THR  H      23 TYR  QE      4.49             (#peak 89 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 89, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 331, 336,
 &end
#
#  11 THR  H      39 THR  HA      3.91             (#peak 91 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 91, nxpk= 0, iat= 151, 580, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  11 THR  H      11 THR  HB      3.29             (#peak 94 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 94, nxpk= 0, iat= 151, 155, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,  &end
#
#  10 LEU  HB2    11 THR  H       4.62             (#peak 95 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 95, nxpk= 0, iat= 136, 151, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  10 LEU  HG     11 THR  H       4.66             (#peak 96 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 96, nxpk= 0, iat= 139, 151, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  10 LEU  HB3    11 THR  H       4.07             (#peak 97 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 97, nxpk= 0, iat= 137, 151, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  11 THR  H      11 THR  QG2     3.85             (#peak 98 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 98, nxpk= 0, iat= 151,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 157, 158, 159,
 &end
#
#  10 LEU  QD2    11 THR  H       4.18             (#peak 99 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 99, nxpk= 0, iat=  -1, 151, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 145, 146, 147,
 &end
#
#  40 ILE  H      41 ASN  H       5.22             (#peak 102 #SUP 0.98 #QF 0.66)
 &rst
  ixpk= 102, nxpk= 0, iat= 592, 611, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  41 ASN  H      54 ILE  H       5.29             (#peak 104 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 104, nxpk= 0, iat= 611, 808, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  41 ASN  H      55 THR  H       5.01             (#peak 106 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 106, nxpk= 0, iat= 611, 827, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  41 ASN  H      41 ASN  HD21    4.10             (#peak 107 #SUP 1.00)
 &rst
  ixpk= 107, nxpk= 0, iat= 611, 621, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  41 ASN  H      41 ASN  HD22    4.10             (#peak 108 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 108, nxpk= 0, iat= 611, 620, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  41 ASN  H      54 ILE  HA      3.94             (#peak 109 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 109, nxpk= 0, iat= 611, 810, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  41 ASN  H      52 ILE  HA      4.67             (#peak 110 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 110, nxpk= 0, iat= 611, 777, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  40 ILE  HA     41 ASN  H       3.01             (#peak 113 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 113, nxpk= 0, iat= 594, 611, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#  41 ASN  H      41 ASN  HB2     3.60             (#peak 115 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 115, nxpk= 0, iat= 611, 615, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  41 ASN  H      41 ASN  HB3     4.03             (#peak 116 #SUP 1.00)
 &rst
  ixpk= 116, nxpk= 0, iat= 611, 616, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  40 ILE  HB     41 ASN  H       4.40             (#peak 117 #SUP 1.00)
 &rst
  ixpk= 117, nxpk= 0, iat= 596, 611, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  40 ILE  QG1    41 ASN  H       4.48             (#peak 118 #SUP 1.00)
 &rst
  ixpk= 118, nxpk= 0, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 602, 603,
 &end
#
#  40 ILE  QG2    41 ASN  H       3.40             (#peak 120 #SUP 0.56 #QF 0.56)
 &rst
  ixpk= 120, nxpk= 0, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 598, 599, 600,
 &end
#
#  41 ASN  H      52 ILE  QG2     4.10             (#peak 122 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 122, nxpk= 0, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 781, 782, 783,
 &end
#
#  54 ILE  QD1    55 THR  H       3.33             (#peak 125 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 125, nxpk= 0, iat=  -1, 827, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1= 821, 822, 823,
 &end
#
#  39 THR  QG2    55 THR  H       3.88             (#peak 126 #SUP 0.92 #QF 0.87)
 &rst
  ixpk= 126, nxpk= 0, iat=  -1, 827, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 584, 585, 586,
 &end
#
#  55 THR  H      55 THR  QG2     3.42             (#peak 127 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 127, nxpk= 0, iat= 827,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 833, 834, 835,
 &end
#
#  55 THR  H      56 VAL  QQG     5.5              (#peak 128 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 128, nxpk= 0, iat= 827, 844, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  54 ILE  QG1    55 THR  H       4.31             (#peak 129 #SUP 0.99 #QF 0.51)
 &rst
  ixpk= 129, nxpk= 0, iat=  -1, 827, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 818, 819,
 &end
#
#  54 ILE  HB     55 THR  H       4.53             (#peak 130 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 130, nxpk= 0, iat= 812, 827, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  55 THR  H      55 THR  HB      4.13             (#peak 131 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 131, nxpk= 0, iat= 827, 831, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  55 THR  H      60 VAL  HA      4.81             (#peak 132 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 132, nxpk= 0, iat= 827, 902, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  40 ILE  HA     55 THR  H       4.00             (#peak 134 #SUP 0.60 #QF 0.60)
 &rst
  ixpk= 134, nxpk= 0, iat= 594, 827, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  54 ILE  HA     55 THR  H       2.86             (#peak 139 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 139, nxpk= 0, iat= 810, 827, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
#  41 ASN  HD22   55 THR  H       4.40             (#peak 140 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 140, nxpk= 0, iat= 620, 827, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  41 ASN  HD21   55 THR  H       4.40             (#peak 141 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 141, nxpk= 0, iat= 621, 827, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  39 THR  H      55 THR  H       3.72             (#peak 142 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 142, nxpk= 0, iat= 578, 827, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  55 THR  H      61 ILE  H       5.38             (#peak 143 #SUP 1.00)
 &rst
  ixpk= 143, nxpk= 0, iat= 827, 916, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  15 VAL  H      15 VAL  QG1     4.05             (#peak 147 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 147, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 214, 215, 216,
 &end
#
#  14 THR  QG2    15 VAL  H       4.21             (#peak 148 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 148, nxpk= 0, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 200, 201, 202,
 &end
#
#  15 VAL  H      42 GLU  HB3     4.59             (#peak 149 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 149, nxpk= 0, iat= 208, 630, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  15 VAL  H      42 GLU  HB2     5.00             (#peak 150 #SUP 0.63 #QF 0.63)
 &rst
  ixpk= 150, nxpk= 0, iat= 208, 629, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  15 VAL  H      42 GLU  HG2     3.68             (#peak 151 #SUP 0.99 #QF 0.57)
 &rst
  ixpk= 151, nxpk= 0, iat= 208, 632, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#  15 VAL  H      42 GLU  HG3     4.54             (#peak 152 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 152, nxpk= 0, iat= 208, 633, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  15 VAL  H      16 SER  HA      5.29             (#peak 154 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 154, nxpk= 0, iat= 208, 226, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  14 THR  HB     15 VAL  H       3.73             (#peak 155 #SUP 0.66 #QF 0.66)
 &rst
  ixpk= 155, nxpk= 0, iat= 198, 208, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  14 THR  HA     15 VAL  H       3.51             (#peak 156 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 156, nxpk= 0, iat= 196, 208, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  15 VAL  H      20 HIS  HA      5.50             (#peak 158 #SUP 0.57 #QF 0.57)
 &rst
  ixpk= 158, nxpk= 0, iat= 208, 274, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  74 GLU  H      75 LYS  HG3     5.50             (#peak 159 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 159, nxpk= 0, iat=1156,1179, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  74 GLU  H      74 GLU  HB3     3.18             (#peak 162 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 162, nxpk= 0, iat=1156,1161, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#  74 GLU  H      74 GLU  HB2     3.14             (#peak 163 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 163, nxpk= 0, iat=1156,1160, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#  74 GLU  H      74 GLU  QG      3.97             (#peak 164 #SUP 1.00)
 &rst
  ixpk= 164, nxpk= 0, iat=1156,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2=1163,1164,
 &end
#
#  74 GLU  H      75 LYS  QE      4.28             (#peak 166 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 166, nxpk= 0, iat=1156,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1184,1185,
 &end
#
#  73 PHE  HB3    74 GLU  H       3.63             (#peak 168 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 168, nxpk= 0, iat=1141,1156, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  72 ASP  HA     74 GLU  H       4.49             (#peak 173 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 173, nxpk= 0, iat=1126,1156, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  73 PHE  QD     74 GLU  H       3.41             (#peak 174 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 174, nxpk= 0, iat=  -1,1156, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr1=1144,1152,
 &end
#
#  74 GLU  H      75 LYS  H       3.23             (#peak 175 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 175, nxpk= 0, iat=1156,1171, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
#  73 PHE  H      74 GLU  H       3.38             (#peak 176 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 176, nxpk= 0, iat=1136,1156, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  54 ILE  H      61 ILE  H       5.05             (#peak 178 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 178, nxpk= 0, iat= 808, 916, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  54 ILE  H      62 PHE  H       3.92             (#peak 179 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 179, nxpk= 0, iat= 808, 935, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  54 ILE  H      62 PHE  QD      4.51             (#peak 180 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 180, nxpk= 0, iat= 808,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 943, 951,
 &end
#
#  53 THR  HA     54 ILE  H       3.10             (#peak 182 #SUP 0.91 #QF 0.89)
 &rst
  ixpk= 182, nxpk= 0, iat= 796, 808, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#  53 THR  HB     54 ILE  H       4.61             (#peak 183 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 183, nxpk= 0, iat= 798, 808, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  54 ILE  H      54 ILE  HB      3.72             (#peak 185 #SUP 1.00 #QF 0.98)
 &rst
  ixpk= 185, nxpk= 0, iat= 808, 812, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  54 ILE  H      54 ILE  QG1     4.30             (#peak 186 #SUP 1.00)
 &rst
  ixpk= 186, nxpk= 0, iat= 808,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 818, 819,
 &end
#
#  54 ILE  H      55 THR  QG2     4.70             (#peak 188 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 188, nxpk= 0, iat= 808,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2= 833, 834, 835,
 &end
#
#  54 ILE  H      54 ILE  QG2     3.88             (#peak 189 #SUP 0.90 #QF 0.85)
 &rst
  ixpk= 189, nxpk= 0, iat= 808,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 814, 815, 816,
 &end
#
#  23 TYR  H      52 ILE  QD1     4.86             (#peak 192 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 192, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 788, 789, 790,
 &end
#
#  23 TYR  H      40 ILE  QG2     4.33             (#peak 194 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 194, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 598, 599, 600,
 &end
#
#  23 TYR  H      24 ARG  QB      5.27             (#peak 196 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 196, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 346, 347,
 &end
#
#  23 TYR  H      40 ILE  HB      5.5              (#peak 197 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 197, nxpk= 0, iat= 321, 596, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  23 TYR  H      26 PHE  HB3     5.06             (#peak 198 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 198, nxpk= 0, iat= 321, 381, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  23 TYR  H      23 TYR  HB2     3.42             (#peak 199 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 199, nxpk= 0, iat= 321, 325, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  22 PHE  HB2    23 TYR  H       3.85             (#peak 200 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 200, nxpk= 0, iat= 305, 321, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  23 TYR  H      23 TYR  HB3     3.36             (#peak 201 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 201, nxpk= 0, iat= 321, 326, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  22 PHE  HB3    23 TYR  H       3.52             (#peak 202 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 202, nxpk= 0, iat= 306, 321, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#  20 HIS  HA     23 TYR  H       4.28             (#peak 205 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 205, nxpk= 0, iat= 274, 321, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  22 PHE  QD     23 TYR  H       3.85             (#peak 206 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 206, nxpk= 0, iat=  -1, 321, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 309, 317,
 &end
#
#  23 TYR  H      73 PHE  HZ      5.20             (#peak 208 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 208, nxpk= 0, iat= 321,1148, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#  23 TYR  H      73 PHE  QE      5.07             (#peak 209 #SUP 0.67 #QF 0.67)
 &rst
  ixpk= 209, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2=1146,1150,
 &end
#
#  23 TYR  H      25 ALA  H       4.85             (#peak 210 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 210, nxpk= 0, iat= 321, 366, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  23 TYR  H      24 ARG  H       3.56             (#peak 211 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 211, nxpk= 0, iat= 321, 342, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  22 PHE  H      23 TYR  H       3.53             (#peak 212 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 212, nxpk= 0, iat= 301, 321, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  55 THR  HA     61 ILE  H       3.71             (#peak 217 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 217, nxpk= 0, iat= 829, 916, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  61 ILE  H      62 PHE  HA      4.58             (#peak 219 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 219, nxpk= 0, iat= 916, 937, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  60 VAL  HA     61 ILE  H       3.15             (#peak 221 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 221, nxpk= 0, iat= 902, 916, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
#  55 THR  HB     61 ILE  H       5.46             (#peak 222 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 222, nxpk= 0, iat= 831, 916, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#  61 ILE  H      62 PHE  HB3     4.62             (#peak 223 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 223, nxpk= 0, iat= 916, 940, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  60 VAL  HB     61 ILE  H       4.14             (#peak 224 #SUP 1.00 #QF 0.41)
 &rst
  ixpk= 224, nxpk= 0, iat= 904, 916, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  61 ILE  H      87 ALA  QB      5.12             (#peak 226 #SUP 1.00)
 &rst
  ixpk= 226, nxpk= 0, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2=1362,1363,1364,
 &end
#
#  61 ILE  H      61 ILE  HG13    3.68             (#peak 227 #SUP 1.00)
 &rst
  ixpk= 227, nxpk= 0, iat= 916, 927, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#  61 ILE  H      61 ILE  HG12    3.62             (#peak 228 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 228, nxpk= 0, iat= 916, 926, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  56 VAL  QQG    61 ILE  H       5                (#peak 229 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 229, nxpk= 0, iat= 844, 916, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
#  61 ILE  H      61 ILE  QG2     4.03             (#peak 230 #SUP 1.00 #QF 0.89)
 &rst
  ixpk= 230, nxpk= 0, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 922, 923, 924,
 &end
#
#  52 ILE  H      52 ILE  QG2     3.90             (#peak 232 #SUP 1.00)
 &rst
  ixpk= 232, nxpk= 0, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 781, 782, 783,
 &end
#
#  52 ILE  H      52 ILE  HG13    4.24             (#peak 233 #SUP 1.00 #QF 0.90)
 &rst
  ixpk= 233, nxpk= 0, iat= 775, 786, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  52 ILE  H      64 THR  QG2     4.21             (#peak 234 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 234, nxpk= 0, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 978, 979, 980,
 &end
#
#  52 ILE  H      52 ILE  HG12    3.99             (#peak 235 #SUP 1.00 #QF 0.99)
 &rst
  ixpk= 235, nxpk= 0, iat= 775, 785, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  52 ILE  H      66 LEU  HG      4.97             (#peak 236 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 236, nxpk= 0, iat= 775,1013, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  52 ILE  H      52 ILE  HB      3.39             (#peak 237 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 237, nxpk= 0, iat= 775, 779, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  52 ILE  H      63 GLN  QB      5.33             (#peak 238 #SUP 0.54 #QF 0.54)
 &rst
  ixpk= 238, nxpk= 0, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2= 959, 960,
 &end
#
#  52 ILE  H      65 PHE  HA      3.75             (#peak 241 #SUP 0.42 #QF 0.42)
 &rst
  ixpk= 241, nxpk= 0, iat= 775, 988, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  51 TRP  HA     52 ILE  H       3.10             (#peak 243 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 243, nxpk= 0, iat= 753, 775, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#  52 ILE  H      51 TRP  QB      5                (#peak 240 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 240, nxpk= 0, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 755, 756,
 &end
#
#  51 TRP  HE3    52 ILE  H       4.14             (#peak 247 #SUP 0.76 #QF 0.76)
 &rst
  ixpk= 247, nxpk= 0, iat= 770, 775, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  52 ILE  H      66 LEU  H       3.95             (#peak 248 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 248, nxpk= 0, iat= 775,1006, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  52 ILE  H      64 THR  H       4.09             (#peak 249 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 249, nxpk= 0, iat= 775, 972, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  16 SER  H      20 HIS  H       4.59             (#peak 252 #SUP 0.71 #QF 0.71)
 &rst
  ixpk= 252, nxpk= 0, iat= 224, 272, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  16 SER  H      17 SER  H       4.60             (#peak 253 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 253, nxpk= 0, iat= 224, 235, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  17 SER  H      18 ILE  H       3.90             (#peak 254 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 254, nxpk= 0, iat= 235, 246, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  17 SER  H      17 SER  HA      3.90             (#peak 258 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 258, nxpk= 0, iat= 235, 237, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  17 SER  H      17 SER  QB      3.37             (#peak 259 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 259, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr2= 239, 240,
 &end
#
#  16 SER  QB     17 SER  H       4.09             (#peak 261 #SUP 0.60 #QF 0.60)
 &rst
  ixpk= 261, nxpk= 0, iat=  -1, 235, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr1= 228, 229,
 &end
#
#  13 HIS  H      13 HIS  HB2     3.61             (#peak 267 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 267, nxpk= 0, iat= 177, 181, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  11 THR  HB     12 ASP  H       4.50             (#peak 268 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 268, nxpk= 0, iat= 155, 165, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  11 THR  HA     12 ASP  H       2.77             (#peak 269 #SUP 0.92 #QF 0.77)
 &rst
  ixpk= 269, nxpk= 0, iat= 153, 165, r1= 1.30, r2= 1.80, r3= 2.77, r4= 3.27,  &end
#
#  12 ASP  HA     13 HIS  H       3.04             (#peak 269 #SUP 0.92 #QF 0.77)
 &rst
  ixpk= 269, nxpk= 0, iat= 167, 177, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
#  11 THR  QG2    12 ASP  H       2.92             (#peak 271 #SUP 0.71 #QF 0.71)
 &rst
  ixpk= 271, nxpk= 0, iat=  -1, 165, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr1= 157, 158, 159,
 &end
#
#  10 LEU  HB3    12 ASP  H       5.49             (#peak 274 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 274, nxpk= 0, iat= 137, 165, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  13 HIS  H      40 ILE  HB      4.33             (#peak 275 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 275, nxpk= 0, iat= 177, 596, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  12 ASP  H      12 ASP  HB3     3.41             (#peak 276 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 276, nxpk= 0, iat= 165, 170, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#  13 HIS  H      13 HIS  HB3     4.01             (#peak 279 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 279, nxpk= 0, iat= 177, 182, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  13 HIS  H      14 THR  HA      5.07             (#peak 280 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 280, nxpk= 0, iat= 177, 196, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  13 HIS  H      41 ASN  HA      4.33             (#peak 282 #SUP 0.57 #QF 0.57)
 &rst
  ixpk= 282, nxpk= 0, iat= 177, 613, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  12 ASP  H      23 TYR  QE      4.20             (#peak 284 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 284, nxpk= 0, iat= 165,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 331, 336,
 &end
#
#  13 HIS  H      23 TYR  QD      4.24             (#peak 285 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 285, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 329, 338,
 &end
#
#  13 HIS  H      13 HIS  HD2     4.54             (#peak 289 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 289, nxpk= 0, iat= 177, 190, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  39 THR  H      54 ILE  QD1     3.95             (#peak 292 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 292, nxpk= 0, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 821, 822, 823,
 &end
#
#  39 THR  H      39 THR  QG2     3.82             (#peak 293 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 293, nxpk= 0, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 584, 585, 586,
 &end
#
#  39 THR  H      56 VAL  QQG     4.89             (#peak 295 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 295, nxpk= 0, iat= 578, 844, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,  &end
#
#  38 LEU  HB3    39 THR  H       4.26             (#peak 296 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 296, nxpk= 0, iat= 564, 578, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  38 LEU  HG     39 THR  H       4.08             (#peak 297 #SUP 0.28 #QF 0.28)
 &rst
  ixpk= 297, nxpk= 0, iat= 566, 578, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  38 LEU  HB2    39 THR  H       4.05             (#peak 298 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 298, nxpk= 0, iat= 563, 578, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  39 THR  H      39 THR  HB      3.42             (#peak 299 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 299, nxpk= 0, iat= 578, 582, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  39 THR  H      56 VAL  HA      4.50             (#peak 301 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 301, nxpk= 0, iat= 578, 843, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  38 LEU  HA     39 THR  H       2.86             (#peak 303 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 303, nxpk= 0, iat= 561, 578, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
#  39 THR  H      54 ILE  HA      4.66             (#peak 304 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 304, nxpk= 0, iat= 578, 810, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  19 GLY  HA3    20 HIS  H       3.47             (#peak 312 #SUP 0.99 #QF 0.93)
 &rst
  ixpk= 312, nxpk= 0, iat= 268, 272, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  20 HIS  H      20 HIS  HB3     3.63             (#peak 312 #SUP 0.99 #QF 0.93)
 &rst
  ixpk= 312, nxpk= 0, iat= 272, 277, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  20 HIS  H      20 HIS  HB2     3.34             (#peak 313 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 313, nxpk= 0, iat= 272, 276, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  20 HIS  H      21 ASP  HB2     4.81             (#peak 315 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 315, nxpk= 0, iat= 272, 293, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  18 ILE  HG13   20 HIS  H       5.50             (#peak 316 #SUP 0.99 #QF 0.64)
 &rst
  ixpk= 316, nxpk= 0, iat= 257, 272, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  20 HIS  H      52 ILE  QD1     5.07             (#peak 318 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 318, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 788, 789, 790,
 &end
#
#  22 PHE  H      66 LEU  QD2     5.50             (#peak 320 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 320, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1019,1020,1021,
 &end
#
#  22 PHE  H      66 LEU  QD1     5.50             (#peak 321 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 321, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1015,1016,1017,
 &end
#
#  22 PHE  H      25 ALA  QB      4.74             (#peak 323 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 323, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 370, 371, 372,
 &end
#
#  21 ASP  HB3    22 PHE  H       3.88             (#peak 326 #SUP 1.00)
 &rst
  ixpk= 326, nxpk= 0, iat= 294, 301, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  21 ASP  HB2    22 PHE  H       3.61             (#peak 327 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 327, nxpk= 0, iat= 293, 301, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  22 PHE  H      22 PHE  HB2     3.33             (#peak 328 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 328, nxpk= 0, iat= 301, 305, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  22 PHE  H      23 TYR  HB3     5.00             (#peak 329 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 329, nxpk= 0, iat= 301, 326, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  19 GLY  HA3    22 PHE  H       4.5              (#peak 330 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 330, nxpk= 0, iat= 268, 301, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  22 PHE  H      22 PHE  HB3     3.47             (#peak 331 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 331, nxpk= 0, iat= 301, 306, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  22 PHE  H      23 TYR  HA      5.50             (#peak 332 #SUP 0.63 #QF 0.63)
 &rst
  ixpk= 332, nxpk= 0, iat= 301, 323, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  20 HIS  HA     22 PHE  H       4.75             (#peak 335 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 335, nxpk= 0, iat= 274, 301, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  22 PHE  H      22 PHE  QD      4.35             (#peak 336 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 336, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 309, 317,
 &end
#
#  22 PHE  H      73 PHE  HZ      3.99             (#peak 337 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 337, nxpk= 0, iat= 301,1148, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  22 PHE  H      73 PHE  QE      3.76             (#peak 338 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 338, nxpk= 0, iat= 301,  -1, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr2=1146,1150,
 &end
#
#  21 ASP  H      22 PHE  H       3.52             (#peak 339 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 339, nxpk= 0, iat= 289, 301, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#  20 HIS  H      22 PHE  H       4.28             (#peak 341 #SUP 0.61 #QF 0.61)
 &rst
  ixpk= 341, nxpk= 0, iat= 272, 301, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  46 ALA  H      46 ALA  QB      3.18             (#peak 343 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 343, nxpk= 0, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2= 693, 694, 695,
 &end
#
#  45 SER  QB     46 ALA  H       4.43             (#peak 344 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 344, nxpk= 0, iat=  -1, 689, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 682, 683,
 &end
#
#  45 SER  HA     46 ALA  H       3.30             (#peak 347 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 347, nxpk= 0, iat= 680, 689, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  60 VAL  H      61 ILE  H       4.73             (#peak 349 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 349, nxpk= 0, iat= 900, 916, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  59 ASP  H      60 VAL  H       4.49             (#peak 350 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 350, nxpk= 0, iat= 888, 900, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  55 THR  HA     60 VAL  H       4.90             (#peak 351 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 351, nxpk= 0, iat= 829, 900, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#  59 ASP  HA     60 VAL  H       2.58             (#peak 352 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 352, nxpk= 0, iat= 890, 900, r1= 1.30, r2= 1.80, r3= 2.58, r4= 3.08,  &end
#
#  60 VAL  H      60 VAL  HB      3.07             (#peak 357 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 357, nxpk= 0, iat= 900, 904, r1= 1.30, r2= 1.80, r3= 3.07, r4= 3.57,  &end
#
#  60 VAL  H      60 VAL  QG1     3.87             (#peak 360 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 360, nxpk= 0, iat= 900,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 906, 907, 908,
 &end
#
#  60 VAL  H      60 VAL  QG2     3.87             (#peak 361 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 361, nxpk= 0, iat= 900,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 910, 911, 912,
 &end
#
#  82 ILE  QG1    83 GLN  H       4.24             (#peak 364 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 364, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1288,1289,
 &end
#
#  82 ILE  HB     83 GLN  H       3.18             (#peak 366 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 366, nxpk= 0, iat=1282,1297, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#  83 GLN  H      83 GLN  HB2     3.25             (#peak 367 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 367, nxpk= 0, iat=1297,1301, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
#  83 GLN  H      83 GLN  HB3     3.74             (#peak 368 #SUP 1.00)
 &rst
  ixpk= 368, nxpk= 0, iat=1297,1302, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  83 GLN  H      83 GLN  HG3     3.40             (#peak 369 #SUP 1.00)
 &rst
  ixpk= 369, nxpk= 0, iat=1297,1305, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  83 GLN  H      83 GLN  HG2     4.15             (#peak 370 #SUP 1.00)
 &rst
  ixpk= 370, nxpk= 0, iat=1297,1304, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  80 ALA  HA     83 GLN  H       4.03             (#peak 371 #SUP 1.00)
 &rst
  ixpk= 371, nxpk= 0, iat=1251,1297, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  83 GLN  H      83 GLN  HE21    4.57             (#peak 376 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 376, nxpk= 0, iat=1297,1310, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  82 ILE  H      83 GLN  H       3.39             (#peak 378 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 378, nxpk= 0, iat=1278,1297, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  83 GLN  H      86 GLU  H       5.47             (#peak 379 #SUP 1.00 #QF 0.99)
 &rst
  ixpk= 379, nxpk= 0, iat=1297,1343, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  83 GLN  H      84 THR  H       3.46             (#peak 380 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 380, nxpk= 0, iat=1297,1314, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  81 LEU  H      83 GLN  H       4.30             (#peak 381 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 381, nxpk= 0, iat=1259,1297, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#  33 ASP  HB2    34 TYR  H       4.50             (#peak 387 #SUP 0.84 #QF 0.50)
 &rst
  ixpk= 387, nxpk= 0, iat= 495, 503, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  33 ASP  HB3    34 TYR  H       4.50             (#peak 387 #SUP 0.84 #QF 0.50)
 &rst
  ixpk= 387, nxpk= 0, iat= 496, 503, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  34 TYR  H      34 TYR  HB2     3.63             (#peak 389 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 389, nxpk= 0, iat= 503, 507, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  34 TYR  H      34 TYR  HB3     3.20             (#peak 390 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 390, nxpk= 0, iat= 503, 508, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#  32 SER  HA     34 TYR  H       4.77             (#peak 391 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 391, nxpk= 0, iat= 482, 503, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  34 TYR  H      34 TYR  QE      4.50             (#peak 395 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 395, nxpk= 0, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 513, 518,
 &end
#
#  34 TYR  H      34 TYR  QD      3.46             (#peak 397 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 397, nxpk= 0, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 511, 520,
 &end
#
#  52 ILE  QD1    64 THR  H       5.50             (#peak 407 #SUP 0.99 #QF 0.84)
 &rst
  ixpk= 407, nxpk= 0, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 788, 789, 790,
 &end
#
#  64 THR  H      64 THR  QG2     3.26             (#peak 408 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 408, nxpk= 0, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 978, 979, 980,
 &end
#
#  52 ILE  HB     64 THR  H       3.89             (#peak 411 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 411, nxpk= 0, iat= 779, 972, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  63 GLN  QB     64 THR  H       3.37             (#peak 412 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 412, nxpk= 0, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 959, 960,
 &end
#
#  63 GLN  QG     64 THR  H       4.42             (#peak 413 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 413, nxpk= 0, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 962, 963,
 &end
#
#  64 THR  H      64 THR  HB      4.00             (#peak 414 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 414, nxpk= 0, iat= 972, 976, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  63 GLN  HA     64 THR  H       2.88             (#peak 419 #SUP 0.76 #QF 0.76)
 &rst
  ixpk= 419, nxpk= 0, iat= 957, 972, r1= 1.30, r2= 1.80, r3= 2.88, r4= 3.38,  &end
#
#  62 PHE  HZ     64 THR  H       5                (#peak 421 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 421, nxpk= 0, iat= 947, 972, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  19 GLY  HA2    21 ASP  H       4.22             (#peak 428 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 428, nxpk= 0, iat= 267, 289, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  18 ILE  HA     21 ASP  H       3.72             (#peak 429 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 429, nxpk= 0, iat= 248, 289, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  20 HIS  HB3    21 ASP  H       3.39             (#peak 431 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 431, nxpk= 0, iat= 277, 289, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
#  42 GLU  HB2    51 TRP  H       4.44             (#peak 434 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 434, nxpk= 0, iat= 629, 751, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  11 THR  H      40 ILE  H       3.99             (#peak 435 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 435, nxpk= 0, iat= 151, 592, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  13 HIS  H      40 ILE  H       4.59             (#peak 436 #SUP 0.99 #QF 0.92)
 &rst
  ixpk= 436, nxpk= 0, iat= 177, 592, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  39 THR  H      40 ILE  H       5.03             (#peak 436 #SUP 0.99 #QF 0.92)
 &rst
  ixpk= 436, nxpk= 0, iat= 578, 592, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  12 ASP  HA     40 ILE  H       5                (#peak 440 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 440, nxpk= 0, iat= 167, 592, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  39 THR  HB     40 ILE  H       4.34             (#peak 441 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 441, nxpk= 0, iat= 582, 592, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  40 ILE  H      40 ILE  HB      3.36             (#peak 444 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 444, nxpk= 0, iat= 592, 596, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  40 ILE  H      40 ILE  QG1     3.69             (#peak 445 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 445, nxpk= 0, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 602, 603,
 &end
#
#  40 ILE  H      40 ILE  QG2     3.91             (#peak 447 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 447, nxpk= 0, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 598, 599, 600,
 &end
#
#  10 LEU  QD2    40 ILE  H       4.42             (#peak 449 #SUP 0.45 #QF 0.45)
 &rst
  ixpk= 449, nxpk= 0, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 145, 146, 147,
 &end
#
#  13 HIS  HB2    40 ILE  H       4.96             (#peak 450 #SUP 0.35 #QF 0.35)
 &rst
  ixpk= 450, nxpk= 0, iat= 181, 592, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#   3 GLU  H       4 VAL  H       5                (#peak 453 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 453, nxpk= 0, iat=  30,  45, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   3 GLU  H       3 GLU  HB2     3.74             (#peak 460 #SUP 0.69 #QF 0.69)
 &rst
  ixpk= 460, nxpk= 0, iat=  30,  34, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   3 GLU  H       3 GLU  HB3     3.74             (#peak 461 #SUP 1.00)
 &rst
  ixpk= 461, nxpk= 0, iat=  30,  35, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  10 LEU  HA     40 ILE  H       4.52             (#peak 463 #SUP 0.69 #QF 0.69)
 &rst
  ixpk= 463, nxpk= 0, iat= 134, 592, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  23 TYR  QD     40 ILE  H       4.48             (#peak 464 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 464, nxpk= 0, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 329, 338,
 &end
#
#  24 ARG  H      25 ALA  QB      4.32             (#peak 465 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 465, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 370, 371, 372,
 &end
#
#  24 ARG  H      24 ARG  HG2     4.19             (#peak 467 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 467, nxpk= 0, iat= 342, 349, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  24 ARG  H      24 ARG  QB      2.88             (#peak 469 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 469, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,
 igr2= 346, 347,
 &end
#
#  23 TYR  HB2    24 ARG  H       4.21             (#peak 470 #SUP 1.00)
 &rst
  ixpk= 470, nxpk= 0, iat= 325, 342, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  21 ASP  HA     24 ARG  H       3.76             (#peak 474 #SUP 0.72 #QF 0.72)
 &rst
  ixpk= 474, nxpk= 0, iat= 291, 342, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  23 TYR  QD     24 ARG  H       3.52             (#peak 476 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 476, nxpk= 0, iat=  -1, 342, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 329, 338,
 &end
#
#  24 ARG  H      26 PHE  H       4.54             (#peak 478 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 478, nxpk= 0, iat= 342, 376, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  56 VAL  QQG    58 GLN  H       4.45             (#peak 481 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 481, nxpk= 0, iat= 844, 871, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,  &end
#
#  58 GLN  H      58 GLN  HB3     3.63             (#peak 482 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 482, nxpk= 0, iat= 871, 876, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  57 ASN  HB2    58 GLN  H       3.11             (#peak 485 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 485, nxpk= 0, iat= 861, 871, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
#  56 VAL  HA     58 GLN  H       5.13             (#peak 489 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 489, nxpk= 0, iat= 843, 871, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  58 GLN  H      59 ASP  HA      4.59             (#peak 490 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 490, nxpk= 0, iat= 871, 890, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  12 ASP  HA     14 THR  H       3.61             (#peak 494 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 494, nxpk= 0, iat= 167, 194, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  12 ASP  HB2    14 THR  H       4.08             (#peak 495 #SUP 0.75 #QF 0.75)
 &rst
  ixpk= 495, nxpk= 0, iat= 169, 194, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  14 THR  H      14 THR  QG2     3.19             (#peak 496 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 496, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 200, 201, 202,
 &end
#
#  13 HIS  HB3    14 THR  H       4.50             (#peak 498 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 498, nxpk= 0, iat= 182, 194, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  14 THR  H      20 HIS  HA      5.19             (#peak 501 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 501, nxpk= 0, iat= 194, 274, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  13 HIS  HA     14 THR  H       3.36             (#peak 503 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 503, nxpk= 0, iat= 179, 194, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  13 HIS  H      14 THR  H       3.40             (#peak 508 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 508, nxpk= 0, iat= 177, 194, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 107 GLU  H     107 GLU  HB3     3.59             (#peak 514 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 514, nxpk= 0, iat=1666,1671, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 107 GLU  H     107 GLU  HG2     4.11             (#peak 517 #SUP 1.00)
 &rst
  ixpk= 517, nxpk= 0, iat=1666,1673, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 107 GLU  H     108 PHE  HA      5.50             (#peak 522 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 522, nxpk= 0, iat=1666,1683, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 106 ASP  HA    107 GLU  H       2.94             (#peak 523 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 523, nxpk= 0, iat=1656,1666, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
#  45 SER  H      47 ARG  H       5.21             (#peak 530 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 530, nxpk= 0, iat= 678, 699, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  44 PRO  HA     45 SER  H       2.80             (#peak 532 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 532, nxpk= 0, iat= 674, 678, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  45 SER  H      45 SER  QB      3.39             (#peak 533 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 533, nxpk= 0, iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 682, 683,
 &end
#
#  44 PRO  HB3    45 SER  H       4.27             (#peak 542 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 542, nxpk= 0, iat= 672, 678, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  27 SER  H      81 LEU  QD2     4.92             (#peak 545 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 545, nxpk= 0, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2=1272,1273,1274,
 &end
#
#  10 LEU  QD2    27 SER  H       4.24             (#peak 547 #SUP 0.59 #QF 0.59)
 &rst
  ixpk= 547, nxpk= 0, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 145, 146, 147,
 &end
#
#  10 LEU  QD1    27 SER  H       4.64             (#peak 548 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 548, nxpk= 0, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 141, 142, 143,
 &end
#
#  25 ALA  QB     27 SER  H       5.07             (#peak 549 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 549, nxpk= 0, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 370, 371, 372,
 &end
#
#  27 SER  H      29 LYS  QD      5.50             (#peak 550 #SUP 0.77 #QF 0.34)
 &rst
  ixpk= 550, nxpk= 0, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 429, 430,
 &end
#
#  26 PHE  HB2    27 SER  H       3.87             (#peak 551 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 551, nxpk= 0, iat= 380, 396, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  26 PHE  HB3    27 SER  H       3.38             (#peak 552 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 552, nxpk= 0, iat= 381, 396, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  27 SER  H      28 ASP  HB2     4.65             (#peak 553 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 553, nxpk= 0, iat= 396, 411, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  24 ARG  HA     27 SER  H       4.07             (#peak 555 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 555, nxpk= 0, iat= 344, 396, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  27 SER  H      27 SER  HB2     3.64             (#peak 558 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 558, nxpk= 0, iat= 396, 400, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  25 ALA  HA     27 SER  H       5.13             (#peak 560 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 560, nxpk= 0, iat= 368, 396, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  25 ALA  H      27 SER  H       4.84             (#peak 566 #SUP 0.72 #QF 0.72)
 &rst
  ixpk= 566, nxpk= 0, iat= 366, 396, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  26 PHE  QD     27 SER  H       3.52             (#peak 570 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 570, nxpk= 0, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 384, 392,
 &end
#
#  27 SER  H      29 LYS  H       4.46             (#peak 571 #SUP 0.66 #QF 0.66)
 &rst
  ixpk= 571, nxpk= 0, iat= 396, 419, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  26 PHE  H      26 PHE  HB3     3.16             (#peak 576 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 576, nxpk= 0, iat= 376, 381, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#  26 PHE  H      26 PHE  HB2     3.04             (#peak 577 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 577, nxpk= 0, iat= 376, 380, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
#  26 PHE  H      77 VAL  QG1     4.03             (#peak 580 #SUP 0.75 #QF 0.75)
 &rst
  ixpk= 580, nxpk= 0, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1213,1214,1215,
 &end
#
#  25 ALA  QB     26 PHE  H       3.07             (#peak 583 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 583, nxpk= 0, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr1= 370, 371, 372,
 &end
#
#  26 PHE  H      28 ASP  HB2     5.07             (#peak 585 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 585, nxpk= 0, iat= 376, 411, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  23 TYR  HA     26 PHE  H       4.22             (#peak 588 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 588, nxpk= 0, iat= 323, 376, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  22 PHE  HA     26 PHE  H       3.85             (#peak 589 #SUP 1.00 #QF 0.95)
 &rst
  ixpk= 589, nxpk= 0, iat= 303, 376, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  26 PHE  H      26 PHE  QD      4.25             (#peak 591 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 591, nxpk= 0, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 384, 392,
 &end
#
#  22 PHE  QD     26 PHE  H       4.58             (#peak 592 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 592, nxpk= 0, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 309, 317,
 &end
#
#  26 PHE  H      73 PHE  HZ      5.22             (#peak 593 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 593, nxpk= 0, iat= 376,1148, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  78 VAL  HA     81 LEU  H       3.83             (#peak 598 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 598, nxpk= 0, iat=1225,1259, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  81 LEU  H      81 LEU  HB2     3.14             (#peak 600 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 600, nxpk= 0, iat=1259,1263, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#  81 LEU  H      81 LEU  HG      3.01             (#peak 603 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 603, nxpk= 0, iat=1259,1266, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#  81 LEU  H      81 LEU  QD1     3.60             (#peak 606 #SUP 1.00)
 &rst
  ixpk= 606, nxpk= 0, iat=1259,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2=1268,1269,1270,
 &end
#
#  81 LEU  H      81 LEU  QD2     3.46             (#peak 607 #SUP 1.00)
 &rst
  ixpk= 607, nxpk= 0, iat=1259,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2=1272,1273,1274,
 &end
#
#  81 LEU  H      82 ILE  QG1     4.54             (#peak 611 #SUP 0.76 #QF 0.76)
 &rst
  ixpk= 611, nxpk= 0, iat=1259,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1288,1289,
 &end
#
#  81 LEU  H      81 LEU  HB3     3.58             (#peak 612 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 612, nxpk= 0, iat=1259,1264, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  79 ALA  HA     81 LEU  H       3.99             (#peak 614 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 614, nxpk= 0, iat=1241,1259, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#  26 PHE  QD     81 LEU  H       4.60             (#peak 617 #SUP 0.98 #QF 0.88)
 &rst
  ixpk= 617, nxpk= 0, iat=  -1,1259, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 384, 392,
 &end
#
#  22 PHE  HZ     81 LEU  H       5.50             (#peak 618 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 618, nxpk= 0, iat= 313,1259, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  81 LEU  H      83 GLN  HE21    4.73             (#peak 619 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 619, nxpk= 0, iat=1259,1310, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  81 LEU  H      82 ILE  H       3.34             (#peak 622 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 622, nxpk= 0, iat=1259,1278, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#  81 LEU  H      84 THR  H       4.77             (#peak 624 #SUP 0.49 #QF 0.49)
 &rst
  ixpk= 624, nxpk= 0, iat=1259,1314, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#   4 VAL  H       5 GLU  H       5                (#peak 627 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 627, nxpk= 0, iat=  45,  61, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   4 VAL  HA      5 GLU  H       3.00             (#peak 634 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 634, nxpk= 0, iat=  47,  61, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   5 GLU  H       5 GLU  HG2     4.05             (#peak 636 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 636, nxpk= 0, iat=  61,  68, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#   5 GLU  H       5 GLU  HG3     4.05             (#peak 637 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 637, nxpk= 0, iat=  61,  69, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#   4 VAL  HB      5 GLU  H       4                (#peak 638 #SUP 0.75 #QF 0.75)
 &rst
  ixpk= 638, nxpk= 0, iat=  49,  61, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   4 VAL  QQG     5 GLU  H       4.00             (#peak 641 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 641, nxpk= 0, iat=  48,  61, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#   5 GLU  H       6 VAL  HA      5.17             (#peak 643 #SUP 1.00)
 &rst
  ixpk= 643, nxpk= 0, iat=  61,  78, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  38 LEU  QD2    38 LEU  H       5.00             (#peak 647 #SUP 0.94 #QF 0.68)
 &rst
  ixpk= 647, nxpk= 0, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 572, 573, 574,
 &end
#
#  10 LEU  QD1    38 LEU  H       5.50             (#peak 648 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 648, nxpk= 0, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 141, 142, 143,
 &end
#
#  38 LEU  H      38 LEU  HB3     3.66             (#peak 649 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 649, nxpk= 0, iat= 559, 564, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  38 LEU  H      38 LEU  HG      3.73             (#peak 650 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 650, nxpk= 0, iat= 559, 566, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  10 LEU  HG     38 LEU  H       3.97             (#peak 651 #SUP 0.87 #QF 0.66)
 &rst
  ixpk= 651, nxpk= 0, iat= 139, 559, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  37 ASN  HB2    38 LEU  H       4.64             (#peak 653 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 653, nxpk= 0, iat= 549, 559, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  38 LEU  H      56 VAL  HA      4.94             (#peak 655 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 655, nxpk= 0, iat= 559, 843, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  37 ASN  HA     38 LEU  H       2.60             (#peak 657 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 657, nxpk= 0, iat= 547, 559, r1= 1.30, r2= 1.80, r3= 2.60, r4= 3.10,  &end
#
#  10 LEU  HA     38 LEU  H       5                (#peak 658 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 658, nxpk= 0, iat= 134, 559, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  30 TRP  HZ2    38 LEU  H       5.38             (#peak 660 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 660, nxpk= 0, iat= 454, 559, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  37 ASN  H      38 LEU  H       4.25             (#peak 664 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 664, nxpk= 0, iat= 545, 559, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#  38 LEU  H      39 THR  H       5                (#peak 665 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 665, nxpk= 0, iat= 559, 578, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  38 LEU  H      57 ASN  H       5.14             (#peak 666 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 666, nxpk= 0, iat= 559, 857, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  56 VAL  H      61 ILE  QD1     4.10             (#peak 671 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 671, nxpk= 0, iat= 841,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 929, 930, 931,
 &end
#
#  55 THR  QG2    56 VAL  H       4.08             (#peak 672 #SUP 0.91 #QF 0.39)
 &rst
  ixpk= 672, nxpk= 0, iat=  -1, 841, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 833, 834, 835,
 &end
#
#  56 VAL  H      61 ILE  QG2     4.27             (#peak 672 #SUP 0.91 #QF 0.39)
 &rst
  ixpk= 672, nxpk= 0, iat= 841,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 922, 923, 924,
 &end
#
#  56 VAL  H      56 VAL  QQG     3.47             (#peak 673 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 673, nxpk= 0, iat= 841, 844, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
#  56 VAL  H      61 ILE  HG12    4.27             (#peak 674 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 674, nxpk= 0, iat= 841, 926, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  56 VAL  H      56 VAL  HB      3.52             (#peak 676 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 676, nxpk= 0, iat= 841, 845, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#  56 VAL  H      59 ASP  HB2     4.97             (#peak 677 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 677, nxpk= 0, iat= 841, 892, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  55 THR  HB     56 VAL  H       3.33             (#peak 679 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 679, nxpk= 0, iat= 831, 841, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  56 VAL  H      60 VAL  HA      3.88             (#peak 680 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 680, nxpk= 0, iat= 841, 902, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  56 VAL  H      59 ASP  HA      5.11             (#peak 683 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 683, nxpk= 0, iat= 841, 890, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#  55 THR  HA     56 VAL  H       3.09             (#peak 684 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 684, nxpk= 0, iat= 829, 841, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
#  56 VAL  H      58 GLN  H       5.00             (#peak 686 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 686, nxpk= 0, iat= 841, 871, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  56 VAL  H      61 ILE  H       4.24             (#peak 687 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 687, nxpk= 0, iat= 841, 916, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  46 ALA  H      47 ARG  H       4.06             (#peak 688 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 688, nxpk= 0, iat= 689, 699, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  47 ARG  H      48 ALA  H       3.56             (#peak 689 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 689, nxpk= 0, iat= 699, 723, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  45 SER  HA     47 ARG  H       4.34             (#peak 690 #SUP 0.69 #QF 0.69)
 &rst
  ixpk= 690, nxpk= 0, iat= 680, 699, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  46 ALA  HA     47 ARG  H       3.42             (#peak 692 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 692, nxpk= 0, iat= 691, 699, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  45 SER  QB     47 ARG  H       4.07             (#peak 693 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 693, nxpk= 0, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 682, 683,
 &end
#
#  47 ARG  H      47 ARG  QD      4.37             (#peak 694 #SUP 1.00)
 &rst
  ixpk= 694, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 709, 710,
 &end
#
#  47 ARG  H      47 ARG  HG2     3.76             (#peak 696 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 696, nxpk= 0, iat= 699, 706, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  47 ARG  H      47 ARG  HG3     3.76             (#peak 697 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 697, nxpk= 0, iat= 699, 707, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  46 ALA  QB     47 ARG  H       3.15             (#peak 698 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 698, nxpk= 0, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,
 igr1= 693, 694, 695,
 &end
#
#  88 LEU  H      88 LEU  QD1     4.12             (#peak 700 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 700, nxpk= 0, iat=1368,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1377,1378,1379,
 &end
#
#  88 LEU  H      93 ILE  QD1     5.50             (#peak 701 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 701, nxpk= 0, iat=1368,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1479,1480,1481,
 &end
#
#  88 LEU  H      88 LEU  HB2     3.44             (#peak 702 #SUP 1.00)
 &rst
  ixpk= 702, nxpk= 0, iat=1368,1372, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  87 ALA  QB     88 LEU  H       3.22             (#peak 703 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 703, nxpk= 0, iat=  -1,1368, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1=1362,1363,1364,
 &end
#
#  88 LEU  H      88 LEU  HG      3.19             (#peak 704 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 704, nxpk= 0, iat=1368,1375, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
#  88 LEU  H      88 LEU  HB3     3.72             (#peak 705 #SUP 1.00)
 &rst
  ixpk= 705, nxpk= 0, iat=1368,1373, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  85 GLU  HA     88 LEU  H       3.40             (#peak 709 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 709, nxpk= 0, iat=1330,1368, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  88 LEU  H      89 ASN  HA      4.91             (#peak 710 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 710, nxpk= 0, iat=1368,1389, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  88 LEU  H      89 ASN  H       3.14             (#peak 713 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 713, nxpk= 0, iat=1368,1387, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#  84 THR  H      85 GLU  H       3.38             (#peak 714 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 714, nxpk= 0, iat=1314,1328, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#  82 ILE  H      84 THR  H       4.14             (#peak 715 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 715, nxpk= 0, iat=1278,1314, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  62 PHE  QD     84 THR  H       5.29             (#peak 721 #SUP 1.00)
 &rst
  ixpk= 721, nxpk= 0, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 943, 951,
 &end
#
#  30 TRP  HH2    84 THR  H       5.44             (#peak 722 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 722, nxpk= 0, iat= 456,1314, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#  84 THR  H      84 THR  HB      3.58             (#peak 726 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 726, nxpk= 0, iat=1314,1318, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#  83 GLN  HG2    84 THR  H       5.19             (#peak 730 #SUP 1.00)
 &rst
  ixpk= 730, nxpk= 0, iat=1304,1314, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  83 GLN  HG3    84 THR  H       4.74             (#peak 731 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 731, nxpk= 0, iat=1305,1314, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  83 GLN  HB3    84 THR  H       4.05             (#peak 732 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 732, nxpk= 0, iat=1302,1314, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  83 GLN  HB2    84 THR  H       3.70             (#peak 733 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 733, nxpk= 0, iat=1301,1314, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#  80 ALA  QB     84 THR  H       4.73             (#peak 737 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 737, nxpk= 0, iat=  -1,1314, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1=1253,1254,1255,
 &end
#
#  84 THR  H      84 THR  QG2     3.87             (#peak 738 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 738, nxpk= 0, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1320,1321,1322,
 &end
#
# 100 THR  QG2   101 GLY  H       4.35             (#peak 741 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 741, nxpk= 0, iat=  -1,1589, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1581,1582,1583,
 &end
#
# 101 GLY  H     102 ASP  H       3.60             (#peak 747 #SUP 0.53 #QF 0.53)
 &rst
  ixpk= 747, nxpk= 0, iat=1589,1596, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  53 THR  H      54 ILE  H       4.20             (#peak 749 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 749, nxpk= 0, iat= 794, 808, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  41 ASN  H      53 THR  H       3.84             (#peak 750 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 750, nxpk= 0, iat= 611, 794, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  52 ILE  H      53 THR  H       4.61             (#peak 751 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 751, nxpk= 0, iat= 775, 794, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  42 GLU  HA     53 THR  H       4.03             (#peak 753 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 753, nxpk= 0, iat= 627, 794, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  53 THR  H      54 ILE  HA      4.79             (#peak 754 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 754, nxpk= 0, iat= 794, 810, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  52 ILE  HA     53 THR  H       2.86             (#peak 755 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 755, nxpk= 0, iat= 777, 794, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
#  40 ILE  HA     53 THR  H       4.66             (#peak 757 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 757, nxpk= 0, iat= 594, 794, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  53 THR  H      53 THR  HB      3.87             (#peak 758 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 758, nxpk= 0, iat= 794, 798, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  41 ASN  HB2    53 THR  H       4.32             (#peak 759 #SUP 0.67 #QF 0.67)
 &rst
  ixpk= 759, nxpk= 0, iat= 615, 794, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  42 GLU  HB3    53 THR  H       5.17             (#peak 761 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 761, nxpk= 0, iat= 630, 794, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  40 ILE  QG2    53 THR  H       4.40             (#peak 766 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 766, nxpk= 0, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 598, 599, 600,
 &end
#
#  53 THR  H      53 THR  QG2     4.08             (#peak 767 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 767, nxpk= 0, iat= 794,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 800, 801, 802,
 &end
#
#  52 ILE  HB     53 THR  H       4.17             (#peak 768 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 768, nxpk= 0, iat= 779, 794, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  52 ILE  QG2    53 THR  H       3.39             (#peak 770 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 770, nxpk= 0, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr1= 781, 782, 783,
 &end
#
#  10 LEU  H      10 LEU  QD2     4.32             (#peak 772 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 772, nxpk= 0, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 145, 146, 147,
 &end
#
#  10 LEU  H      10 LEU  QD1     3.69             (#peak 773 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 773, nxpk= 0, iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 141, 142, 143,
 &end
#
#  10 LEU  H      10 LEU  HG      3.28             (#peak 774 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 774, nxpk= 0, iat= 132, 139, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#  10 LEU  H      10 LEU  HB3     3.59             (#peak 775 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 775, nxpk= 0, iat= 132, 137, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  10 LEU  H      10 LEU  HB2     3.22             (#peak 776 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 776, nxpk= 0, iat= 132, 136, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#   9 LEU  HA     10 LEU  H       3.01             (#peak 777 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 777, nxpk= 0, iat= 115, 132, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#  58 GLN  H      59 ASP  H       3.09             (#peak 781 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 781, nxpk= 0, iat= 871, 888, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
#  56 VAL  H      59 ASP  H       3.61             (#peak 782 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 782, nxpk= 0, iat= 841, 888, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  55 THR  HA     59 ASP  H       4.77             (#peak 783 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 783, nxpk= 0, iat= 829, 888, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  58 GLN  HA     59 ASP  H       3.21             (#peak 785 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 785, nxpk= 0, iat= 873, 888, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  55 THR  HB     59 ASP  H       3.80             (#peak 786 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 786, nxpk= 0, iat= 831, 888, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  58 GLN  HG2    59 ASP  H       4.53             (#peak 789 #SUP 0.88 #QF 0.78)
 &rst
  ixpk= 789, nxpk= 0, iat= 878, 888, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  58 GLN  HG3    59 ASP  H       4.53             (#peak 789 #SUP 0.88 #QF 0.78)
 &rst
  ixpk= 789, nxpk= 0, iat= 879, 888, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  58 GLN  HB3    59 ASP  H       4.54             (#peak 790 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 790, nxpk= 0, iat= 876, 888, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  56 VAL  QQG    59 ASP  H       4.38             (#peak 795 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 795, nxpk= 0, iat= 844, 888, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,  &end
#
#  57 ASN  HB2    59 ASP  H       3.87             (#peak 796 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 796, nxpk= 0, iat= 861, 888, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  10 LEU  H      11 THR  HA      5.50             (#peak 797 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 797, nxpk= 0, iat= 132, 153, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   8 GLY  HA2    10 LEU  H       5                (#peak 798 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 798, nxpk= 0, iat= 108, 132, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  59 ASP  H      60 VAL  HA      5                (#peak 799 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 799, nxpk= 0, iat= 888, 902, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   7 PRO  HB2    37 ASN  H       4.91             (#peak 806 #SUP 0.53 #QF 0.53)
 &rst
  ixpk= 806, nxpk= 0, iat=  99, 545, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  37 ASN  H      37 ASN  HB2     3.71             (#peak 808 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 808, nxpk= 0, iat= 545, 549, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  36 GLY  HA2    37 ASN  H       2.94             (#peak 811 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 811, nxpk= 0, iat= 540, 545, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
#  35 THR  HA     37 ASN  H       5                (#peak 815 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 815, nxpk= 0, iat= 526, 545, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  36 GLY  H      37 ASN  H       4.01             (#peak 818 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 818, nxpk= 0, iat= 538, 545, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  34 TYR  QE     37 ASN  H       4.02             (#peak 820 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 820, nxpk= 0, iat=  -1, 545, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 513, 518,
 &end
#
#  37 ASN  H      37 ASN  HD21    4.51             (#peak 821 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 821, nxpk= 0, iat= 545, 555, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   8 GLY  H       8 GLY  HA2     2.95             (#peak 833 #SUP 1.00)
 &rst
  ixpk= 833, nxpk= 0, iat= 106, 108, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
#   7 PRO  HB3     8 GLY  H       3.47             (#peak 837 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 837, nxpk= 0, iat= 100, 106, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#   7 PRO  HG2     8 GLY  H       4.13             (#peak 839 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 839, nxpk= 0, iat=  96, 106, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   7 PRO  HB2     8 GLY  H       3.74             (#peak 840 #SUP 1.00 #QF 0.99)
 &rst
  ixpk= 840, nxpk= 0, iat=  99, 106, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  89 ASN  H      89 ASN  HD21    4.60             (#peak 845 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 845, nxpk= 0, iat=1387,1397, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 106 ASP  H     107 GLU  H       3.59             (#peak 849 #SUP 1.00)
 &rst
  ixpk= 849, nxpk= 0, iat=1654,1666, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 105 HIS  HB2   106 ASP  H       4.33             (#peak 856 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 856, nxpk= 0, iat=1641,1654, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
# 104 ALA  QB    106 ASP  H       5.50             (#peak 859 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 859, nxpk= 0, iat=  -1,1654, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1631,1632,1633,
 &end
#
#  18 ILE  QG2    69 LEU  H       5.11             (#peak 860 #SUP 0.97 #QF 0.95)
 &rst
  ixpk= 860, nxpk= 0, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 252, 253, 254,
 &end
#
#  67 PHE  H      67 PHE  HB2     3.46             (#peak 862 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 862, nxpk= 0, iat=1025,1029, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  67 PHE  H      67 PHE  QE      5.20             (#peak 867 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 867, nxpk= 0, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=1035,1039,
 &end
#
# 105 HIS  H     105 HIS  HB3     3.75             (#peak 868 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 868, nxpk= 0, iat=1637,1642, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#  98 LEU  HG     99 SER  H       4.94             (#peak 879 #SUP 0.93 #QF 0.84)
 &rst
  ixpk= 879, nxpk= 0, iat=1552,1564, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 104 ALA  HA    105 HIS  H       2.92             (#peak 894 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 894, nxpk= 0, iat=1629,1637, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
# 105 HIS  H     105 HIS  HB2     3.75             (#peak 895 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 895, nxpk= 0, iat=1637,1641, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
# 104 ALA  QB    105 HIS  H       3.79             (#peak 896 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 896, nxpk= 0, iat=  -1,1637, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1=1631,1632,1633,
 &end
#
#  86 GLU  HB2    87 ALA  H       3.36             (#peak 909 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 909, nxpk= 0, iat=1347,1358, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#   4 VAL  H       4 VAL  HB      3.38             (#peak 911 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 911, nxpk= 0, iat=  45,  49, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#   4 VAL  H       4 VAL  QQG     4.00             (#peak 916 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 916, nxpk= 0, iat=  45,  48, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  61 ILE  QD1    87 ALA  H       4.58             (#peak 918 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 918, nxpk= 0, iat=  -1,1358, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 929, 930, 931,
 &end
#
#  86 GLU  HG2    87 ALA  H       4.94             (#peak 920 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 920, nxpk= 0, iat=1350,1358, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  73 PHE  H      73 PHE  HB2     3.50             (#peak 924 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 924, nxpk= 0, iat=1136,1140, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  73 PHE  H      73 PHE  HB3     3.46             (#peak 925 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 925, nxpk= 0, iat=1136,1141, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#  73 PHE  H      76 THR  HB      5.36             (#peak 928 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 928, nxpk= 0, iat=1136,1197, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  73 PHE  H      73 PHE  QD      4.31             (#peak 936 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 936, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1144,1152,
 &end
#
#  67 PHE  HA     70 LYS  H       4.73             (#peak 939 #SUP 0.95 #QF 0.92)
 &rst
  ixpk= 939, nxpk= 0, iat=1027,1078, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
# 104 ALA  H     105 HIS  HA      5.30             (#peak 939 #SUP 0.95 #QF 0.92)
 &rst
  ixpk= 939, nxpk= 0, iat=1627,1639, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
# 103 LEU  HA    104 ALA  H       2.65             (#peak 941 #SUP 0.53 #QF 0.53)
 &rst
  ixpk= 941, nxpk= 0, iat=1610,1627, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15,  &end
#
#  69 LEU  H      70 LYS  H       3.79             (#peak 945 #SUP 0.87 #QF 0.72)
 &rst
  ixpk= 945, nxpk= 0, iat=1059,1078, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 103 LEU  HB3   104 ALA  H       4.19             (#peak 948 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 948, nxpk= 0, iat=1613,1627, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 104 ALA  H     104 ALA  QB      3.04             (#peak 949 #SUP 1.00)
 &rst
  ixpk= 949, nxpk= 0, iat=1627,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2=1631,1632,1633,
 &end
#
# 103 LEU  QD2   104 ALA  H       4.24             (#peak 950 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 950, nxpk= 0, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1621,1622,1623,
 &end
#
#  93 ILE  QG2    96 ALA  H       4.11             (#peak 952 #SUP 0.89 #QF 0.82)
 &rst
  ixpk= 952, nxpk= 0, iat=  -1,1516, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1472,1473,1474,
 &end
#
#  96 ALA  H      96 ALA  QB      2.60             (#peak 955 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 955, nxpk= 0, iat=1516,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2=1520,1521,1522,
 &end
#
#  96 ALA  H      97 LEU  HG      4.70             (#peak 957 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 957, nxpk= 0, iat=1516,1533, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  95 GLN  HB2    96 ALA  H       3.37             (#peak 958 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 958, nxpk= 0, iat=1503,1516, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#  95 GLN  HB3    96 ALA  H       3.98             (#peak 959 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 959, nxpk= 0, iat=1504,1516, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  93 ILE  HA     96 ALA  H       4.20             (#peak 961 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 961, nxpk= 0, iat=1468,1516, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  95 GLN  HA     96 ALA  H       3.56             (#peak 962 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 962, nxpk= 0, iat=1501,1516, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  94 ASN  HA     96 ALA  H       4.62             (#peak 964 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 964, nxpk= 0, iat=1487,1516, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  95 GLN  H      96 ALA  H       2.92             (#peak 966 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 966, nxpk= 0, iat=1499,1516, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
#  96 ALA  H      97 LEU  H       2.96             (#peak 967 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 967, nxpk= 0, iat=1516,1526, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
# 103 LEU  H     103 LEU  QD2     4.29             (#peak 969 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 969, nxpk= 0, iat=1608,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1621,1622,1623,
 &end
#
# 103 LEU  H     103 LEU  QD1     4.29             (#peak 970 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 970, nxpk= 0, iat=1608,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1617,1618,1619,
 &end
#
# 102 ASP  HB3   103 LEU  H       3.73             (#peak 973 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 973, nxpk= 0, iat=1601,1608, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 102 ASP  HA    103 LEU  H       2.78             (#peak 978 #SUP 0.76 #QF 0.76)
 &rst
  ixpk= 978, nxpk= 0, iat=1598,1608, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28,  &end
#
#  84 THR  HA     87 ALA  H       4.10             (#peak 988 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 988, nxpk= 0, iat=1316,1358, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  85 GLU  H      87 ALA  H       4.63             (#peak 994 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 994, nxpk= 0, iat=1328,1358, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   8 GLY  HA2     9 LEU  H       3                (#peak 996 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 996, nxpk= 0, iat= 108, 113, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   9 LEU  H      37 ASN  HA      4.02             (#peak 998 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 998, nxpk= 0, iat= 113, 547, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#   8 GLY  H       9 LEU  H       4.50             (#peak 1000 #SUP 0.93 #QF 0.34)
 &rst
  ixpk= 1000, nxpk= 0, iat= 106, 113, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   9 LEU  H      38 LEU  H       4.16             (#peak 1001 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1001, nxpk= 0, iat= 113, 559, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   9 LEU  H       9 LEU  QB      3.27             (#peak 1003 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 1003, nxpk= 0, iat= 113,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 117, 118,
 &end
#
#   9 LEU  H       9 LEU  QD1     4.28             (#peak 1006 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1006, nxpk= 0, iat= 113,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 122, 123, 124,
 &end
#
#  80 ALA  H      81 LEU  QD2     4.90             (#peak 1007 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1007, nxpk= 0, iat=1249,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2=1272,1273,1274,
 &end
#
# 107 GLU  HB3   108 PHE  H       3.79             (#peak 1010 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 1010, nxpk= 0, iat=1671,1681, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 107 GLU  HB2   108 PHE  H       3.79             (#peak 1011 #SUP 0.69 #QF 0.69)
 &rst
  ixpk= 1011, nxpk= 0, iat=1670,1681, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#  80 ALA  H      83 GLN  HB2     4.86             (#peak 1013 #SUP 0.84 #QF 0.70)
 &rst
  ixpk= 1013, nxpk= 0, iat=1249,1301, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
# 107 GLU  HG2   108 PHE  H       5.38             (#peak 1013 #SUP 0.84 #QF 0.70)
 &rst
  ixpk= 1013, nxpk= 0, iat=1673,1681, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  77 VAL  HA     80 ALA  H       3.83             (#peak 1016 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 1016, nxpk= 0, iat=1209,1249, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  78 VAL  HA     80 ALA  H       4.46             (#peak 1017 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1017, nxpk= 0, iat=1225,1249, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  80 ALA  H      83 GLN  HE21    3.56             (#peak 1024 #SUP 0.66 #QF 0.53)
 &rst
  ixpk= 1024, nxpk= 0, iat=1249,1310, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
# 108 PHE  H     108 PHE  QD      4.03             (#peak 1024 #SUP 0.66 #QF 0.53)
 &rst
  ixpk= 1024, nxpk= 0, iat=1681,  -1, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr2=1689,1697,
 &end
#
#  79 ALA  H      80 ALA  H       3.05             (#peak 1025 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1025, nxpk= 0, iat=1239,1249, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 107 GLU  H     108 PHE  H       3.16             (#peak 1027 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1027, nxpk= 0, iat=1666,1681, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#  83 GLN  HA     86 GLU  H       3.69             (#peak 1033 #SUP 0.99 #QF 0.92)
 &rst
  ixpk= 1033, nxpk= 0, iat=1299,1343, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  82 ILE  HA     86 GLU  H       5.09             (#peak 1034 #SUP 1.00 #QF 0.93)
 &rst
  ixpk= 1034, nxpk= 0, iat=1280,1343, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#  86 GLU  H      86 GLU  HB2     2.76             (#peak 1036 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1036, nxpk= 0, iat=1343,1347, r1= 1.30, r2= 1.80, r3= 2.76, r4= 3.26,  &end
#
#  86 GLU  H      86 GLU  HG3     3.41             (#peak 1037 #SUP 0.76 #QF 0.76)
 &rst
  ixpk= 1037, nxpk= 0, iat=1343,1351, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,  &end
#
#  86 GLU  H      87 ALA  QB      4.54             (#peak 1041 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 1041, nxpk= 0, iat=1343,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2=1362,1363,1364,
 &end
#
#  82 ILE  QG2    86 GLU  H       4.51             (#peak 1042 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1042, nxpk= 0, iat=  -1,1343, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1284,1285,1286,
 &end
#
#  84 THR  H      86 GLU  H       4.08             (#peak 1049 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 1049, nxpk= 0, iat=1314,1343, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  86 GLU  H      89 ASN  HB2     4.8             (#peak 1051 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 1051, nxpk= 0, iat=1343,1391, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  99 SER  HA    100 THR  H       3.53             (#peak 1056 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1056, nxpk= 0, iat=1566,1575, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 100 THR  H     100 THR  HB      3.69             (#peak 1057 #SUP 0.93 #QF 0.91)
 &rst
  ixpk= 1057, nxpk= 0, iat=1575,1579, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
# 100 THR  H     100 THR  QG2     3.99             (#peak 1062 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 1062, nxpk= 0, iat=1575,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2=1581,1582,1583,
 &end
#
#  98 LEU  HG    100 THR  H       5.31             (#peak 1065 #SUP 0.95 #QF 0.93)
 &rst
  ixpk= 1065, nxpk= 0, iat=1552,1575, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 100 THR  H     101 GLY  H       3.24             (#peak 1072 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1072, nxpk= 0, iat=1575,1589, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#  99 SER  H     100 THR  H       3.13             (#peak 1073 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1073, nxpk= 0, iat=1564,1575, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
#  64 THR  H      65 PHE  H       4.49             (#peak 1074 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1074, nxpk= 0, iat= 972, 986, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  65 PHE  H      66 LEU  H       4.66             (#peak 1075 #SUP 1.00)
 &rst
  ixpk= 1075, nxpk= 0, iat= 986,1006, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  65 PHE  H      65 PHE  QD      4.36             (#peak 1078 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1078, nxpk= 0, iat= 986,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 994,1002,
 &end
#
#  51 TRP  HA     65 PHE  H       5.47             (#peak 1079 #SUP 0.57 #QF 0.57)
 &rst
  ixpk= 1079, nxpk= 0, iat= 753, 986, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#  64 THR  HA     65 PHE  H       3.13             (#peak 1081 #SUP 1.00 #QF 0.88)
 &rst
  ixpk= 1081, nxpk= 0, iat= 974, 986, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
#  64 THR  HB     65 PHE  H       3.95             (#peak 1082 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1082, nxpk= 0, iat= 976, 986, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  65 PHE  H      65 PHE  HB2     3.53             (#peak 1084 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1084, nxpk= 0, iat= 986, 990, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  65 PHE  H      65 PHE  HB3     3.53             (#peak 1085 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1085, nxpk= 0, iat= 986, 991, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  64 THR  QG2    65 PHE  H       3.87             (#peak 1086 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1086, nxpk= 0, iat=  -1, 986, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 978, 979, 980,
 &end
#
#  25 ALA  H      25 ALA  QB      2.71             (#peak 1090 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1090, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
 igr2= 370, 371, 372,
 &end
#
#  24 ARG  HG2    25 ALA  H       4.8              (#peak 1093 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1093, nxpk= 0, iat= 349, 366, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  24 ARG  QB     25 ALA  H       3.21             (#peak 1095 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1095, nxpk= 0, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1= 346, 347,
 &end
#
#  25 ALA  H      26 PHE  HB3     4.98             (#peak 1096 #SUP 0.65 #QF 0.65)
 &rst
  ixpk= 1096, nxpk= 0, iat= 366, 381, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  25 ALA  H      26 PHE  HA      5.50             (#peak 1098 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1098, nxpk= 0, iat= 366, 378, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  23 TYR  HB3    25 ALA  H       5.50             (#peak 1099 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1099, nxpk= 0, iat= 326, 366, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  21 ASP  HA     25 ALA  H       4.36             (#peak 1103 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 1103, nxpk= 0, iat= 291, 366, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  23 TYR  QD     25 ALA  H       5.50             (#peak 1104 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1104, nxpk= 0, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 329, 338,
 &end
#
#  25 ALA  H      73 PHE  HZ      4.24             (#peak 1105 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 1105, nxpk= 0, iat= 366,1148, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  25 ALA  H      73 PHE  QE      5.29             (#peak 1106 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1106, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2=1146,1150,
 &end
#
#  25 ALA  H      26 PHE  H       3.22             (#peak 1109 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1109, nxpk= 0, iat= 366, 376, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#  24 ARG  H      25 ALA  H       3.44             (#peak 1110 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 1110, nxpk= 0, iat= 342, 366, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  73 PHE  H      75 LYS  H       4.57             (#peak 1112 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 1112, nxpk= 0, iat=1136,1171, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  73 PHE  QD     75 LYS  H       5.37             (#peak 1114 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 1114, nxpk= 0, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1=1144,1152,
 &end
#
#  72 ASP  HA     75 LYS  H       4.00             (#peak 1116 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1116, nxpk= 0, iat=1126,1171, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  75 LYS  H      76 THR  HB      5.18             (#peak 1117 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 1117, nxpk= 0, iat=1171,1197, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#  75 LYS  H      76 THR  HA      5.29             (#peak 1118 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 1118, nxpk= 0, iat=1171,1195, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#  75 LYS  H      75 LYS  QE      4.24             (#peak 1122 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1122, nxpk= 0, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=1184,1185,
 &end
#
#  74 GLU  QG     75 LYS  H       4.62             (#peak 1123 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1123, nxpk= 0, iat=  -1,1171, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1=1163,1164,
 &end
#
#  74 GLU  HB3    75 LYS  H       3.48             (#peak 1125 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 1125, nxpk= 0, iat=1161,1171, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  75 LYS  H      75 LYS  HB3     3.61             (#peak 1126 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1126, nxpk= 0, iat=1171,1176, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#  75 LYS  H      75 LYS  HB2     3.15             (#peak 1127 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1127, nxpk= 0, iat=1171,1175, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,  &end
#
#  75 LYS  H      75 LYS  QD      4.08             (#peak 1128 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1128, nxpk= 0, iat=1171,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1181,1182,
 &end
#
#  75 LYS  H      75 LYS  HG3     3.54             (#peak 1129 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1129, nxpk= 0, iat=1171,1179, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  75 LYS  H      75 LYS  HG2     4.04             (#peak 1130 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1130, nxpk= 0, iat=1171,1178, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  34 TYR  HB2    35 THR  H       4.00             (#peak 1131 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1131, nxpk= 0, iat= 507, 524, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  34 TYR  HB3    35 THR  H       4.00             (#peak 1132 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1132, nxpk= 0, iat= 508, 524, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  35 THR  H      35 THR  QG2     3.82             (#peak 1133 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1133, nxpk= 0, iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 530, 531, 532,
 &end
#
#  35 THR  H      36 GLY  HA3     5.43             (#peak 1138 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1138, nxpk= 0, iat= 524, 541, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  34 TYR  HA     35 THR  H       2.94             (#peak 1141 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 1141, nxpk= 0, iat= 505, 524, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
#  35 THR  H      36 GLY  H       3.45             (#peak 1144 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 1144, nxpk= 0, iat= 524, 538, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  34 TYR  QE     35 THR  H       4.25             (#peak 1145 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1145, nxpk= 0, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 513, 518,
 &end
#
#  34 TYR  QD     35 THR  H       3.44             (#peak 1146 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1146, nxpk= 0, iat=  -1, 524, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr1= 511, 520,
 &end
#
#  34 TYR  H      35 THR  H       4.52             (#peak 1147 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1147, nxpk= 0, iat= 503, 524, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  35 THR  H      37 ASN  H       4.61             (#peak 1148 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1148, nxpk= 0, iat= 524, 545, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  27 SER  HB3    28 ASP  H       4.20             (#peak 1150 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1150, nxpk= 0, iat= 401, 407, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  28 ASP  H      28 ASP  HB2     2.78             (#peak 1152 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1152, nxpk= 0, iat= 407, 411, r1= 1.30, r2= 1.80, r3= 2.78, r4= 3.28,  &end
#
#  28 ASP  H      29 LYS  HA      5.45             (#peak 1157 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1157, nxpk= 0, iat= 407, 421, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  76 THR  H      76 THR  HB      3.40             (#peak 1158 #SUP 0.99 #QF 0.98)
 &rst
  ixpk= 1158, nxpk= 0, iat=1193,1197, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  28 ASP  H      29 LYS  H       3.08             (#peak 1159 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1159, nxpk= 0, iat= 407, 419, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
#  28 ASP  H      30 TRP  H       4.11             (#peak 1160 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1160, nxpk= 0, iat= 407, 441, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  27 SER  H      28 ASP  H       3.19             (#peak 1161 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1161, nxpk= 0, iat= 396, 407, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
#  72 ASP  HA     76 THR  H       4.60             (#peak 1162 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 1162, nxpk= 0, iat=1126,1193, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  90 ARG  H      90 ARG  QD      4.55             (#peak 1165 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1165, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2=1411,1412,
 &end
#
#  89 ASN  HB3    90 ARG  H       3.49             (#peak 1166 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1166, nxpk= 0, iat=1392,1401, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  90 ARG  H      91 ARG  QB      4.32             (#peak 1169 #SUP 0.57 #QF 0.57)
 &rst
  ixpk= 1169, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=1429,1430,
 &end
#
#  90 ARG  H      90 ARG  QB      2.82             (#peak 1170 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 1170, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
 igr2=1405,1406,
 &end
#
#  75 LYS  HB2    76 THR  H       3.13             (#peak 1171 #SUP 0.76 #QF 0.76)
 &rst
  ixpk= 1171, nxpk= 0, iat=1175,1193, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
#  75 LYS  QD     76 THR  H       4.34             (#peak 1172 #SUP 0.92 #QF 0.40)
 &rst
  ixpk= 1172, nxpk= 0, iat=  -1,1193, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1=1181,1182,
 &end
#
#  76 THR  H      76 THR  QG2     3.84             (#peak 1173 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1173, nxpk= 0, iat=1193,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1199,1200,1201,
 &end
#
#  28 ASP  H      29 LYS  QG      4.47             (#peak 1179 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 1179, nxpk= 0, iat= 407,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 426, 427,
 &end
#
#  92 GLN  HG3    93 ILE  H       3.95             (#peak 1182 #SUP 0.98 #QF 0.91)
 &rst
  ixpk= 1182, nxpk= 0, iat=1457,1466, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  92 GLN  QB     93 ILE  H       3.43             (#peak 1183 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 1183, nxpk= 0, iat=  -1,1466, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr1=1453,1454,
 &end
#
#  91 ARG  QB     93 ILE  H       4.16             (#peak 1184 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1184, nxpk= 0, iat=  -1,1466, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr1=1429,1430,
 &end
#
#  93 ILE  H      93 ILE  HB      2.94             (#peak 1185 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1185, nxpk= 0, iat=1466,1470, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
#  93 ILE  H      93 ILE  HG13    3.06             (#peak 1188 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1188, nxpk= 0, iat=1466,1477, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#  93 ILE  H      93 ILE  HG12    3.30             (#peak 1190 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1190, nxpk= 0, iat=1466,1476, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  93 ILE  H      93 ILE  QG2     3.92             (#peak 1191 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1191, nxpk= 0, iat=1466,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1472,1473,1474,
 &end
#
#  89 ASN  HA     93 ILE  H       5.50             (#peak 1196 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 1196, nxpk= 0, iat=1389,1466, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  93 ILE  H      94 ASN  HA      5.40             (#peak 1197 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1197, nxpk= 0, iat=1466,1487, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  91 ARG  H      93 ILE  H       5.00             (#peak 1198 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 1198, nxpk= 0, iat=1425,1466, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  93 ILE  H      96 ALA  H       5.45             (#peak 1200 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 1200, nxpk= 0, iat=1466,1516, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#  92 GLN  HA     93 ILE  H       3.53             (#peak 1205 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1205, nxpk= 0, iat=1451,1466, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  48 ALA  H      48 ALA  QB      2.90             (#peak 1206 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1206, nxpk= 0, iat= 723,  -1, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,
 igr2= 727, 728, 729,
 &end
#
#  47 ARG  HG3    48 ALA  H       3.95             (#peak 1207 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1207, nxpk= 0, iat= 707, 723, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  47 ARG  HG2    48 ALA  H       3.95             (#peak 1208 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1208, nxpk= 0, iat= 706, 723, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  47 ARG  QB     48 ALA  H       4                (#peak 1209 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1209, nxpk= 0, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 703, 704,
 &end
#
#  48 ALA  H      48 ALA  HA      2.93             (#peak 1211 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1211, nxpk= 0, iat= 723, 725, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
#  48 ALA  H      49 GLY  H       3.24             (#peak 1218 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1218, nxpk= 0, iat= 723, 733, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,  &end
#
#  46 ALA  HA     48 ALA  H       4.49             (#peak 1219 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 1219, nxpk= 0, iat= 691, 723, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  48 ALA  H      49 GLY  HA2     4.40             (#peak 1220 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1220, nxpk= 0, iat= 723, 735, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  97 LEU  HA     98 LEU  H       3.5              (#peak 1223 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 1223, nxpk= 0, iat=1528,1545, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  98 LEU  H      99 SER  HA      5.15             (#peak 1225 #SUP 0.57 #QF 0.57)
 &rst
  ixpk= 1225, nxpk= 0, iat=1545,1566, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  98 LEU  H      96 ALA  H       4.13             (#peak 1237 #SUP 0.62 #QF 0.62)
 &rst
  ixpk= 1237, nxpk= 0, iat=1545,1516, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  98 LEU  H      99 SER  H       3.30             (#peak 1238 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1238, nxpk= 0, iat=1545,1564, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  77 VAL  H      77 VAL  QG1     3.82             (#peak 1240 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1240, nxpk= 0, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=1213,1214,1215,
 &end
#
#  77 VAL  H      79 ALA  QB      4.83             (#peak 1247 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 1247, nxpk= 0, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1243,1244,1245,
 &end
#
#  77 VAL  H      77 VAL  HB      2.94             (#peak 1248 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1248, nxpk= 0, iat=1207,1211, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
#  77 VAL  H      78 VAL  HB      5.14             (#peak 1249 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1249, nxpk= 0, iat=1207,1227, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#  77 VAL  H      78 VAL  HA      5.46             (#peak 1251 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 1251, nxpk= 0, iat=1207,1225, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#  74 GLU  HA     77 VAL  H       3.77             (#peak 1252 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1252, nxpk= 0, iat=1158,1207, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  75 LYS  HA     77 VAL  H       4.94             (#peak 1253 #SUP 1.00)
 &rst
  ixpk= 1253, nxpk= 0, iat=1173,1207, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  76 THR  HB     77 VAL  H       3.40             (#peak 1255 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1255, nxpk= 0, iat=1197,1207, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  22 PHE  QE     77 VAL  H       4.29             (#peak 1256 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1256, nxpk= 0, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 311, 315,
 &end
#
#  73 PHE  QD     77 VAL  H       5.07             (#peak 1257 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1257, nxpk= 0, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1144,1152,
 &end
#
#  77 VAL  H      79 ALA  H       4.11             (#peak 1259 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1259, nxpk= 0, iat=1207,1239, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  75 LYS  H      77 VAL  H       4.29             (#peak 1260 #SUP 0.64 #QF 0.64)
 &rst
  ixpk= 1260, nxpk= 0, iat=1171,1207, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  82 ILE  H      82 ILE  QG2     3.87             (#peak 1261 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1261, nxpk= 0, iat=1278,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1284,1285,1286,
 &end
#
#  82 ILE  H      82 ILE  QG1     3.45             (#peak 1264 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1264, nxpk= 0, iat=1278,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1288,1289,
 &end
#
#  81 LEU  HB3    82 ILE  H       3.92             (#peak 1265 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1265, nxpk= 0, iat=1264,1278, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  81 LEU  HG     82 ILE  H       3.94             (#peak 1266 #SUP 0.67 #QF 0.67)
 &rst
  ixpk= 1266, nxpk= 0, iat=1266,1278, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  81 LEU  QD2    82 ILE  H       4.65             (#peak 1273 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1273, nxpk= 0, iat=  -1,1278, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1272,1273,1274,
 &end
#
#  79 ALA  HA     82 ILE  H       3.87             (#peak 1275 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 1275, nxpk= 0, iat=1241,1278, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,  &end
#
#  80 ALA  H      82 ILE  H       4.80             (#peak 1279 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1279, nxpk= 0, iat=1249,1278, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  97 LEU  H      97 LEU  QD2     4.22             (#peak 1286 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1286, nxpk= 0, iat=1526,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=1539,1540,1541,
 &end
#
#  97 LEU  H      97 LEU  QD1     3.87             (#peak 1287 #SUP 0.99 #QF 0.95)
 &rst
  ixpk= 1287, nxpk= 0, iat=1526,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1535,1536,1537,
 &end
#
#  96 ALA  QB     97 LEU  H       3.02             (#peak 1289 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1289, nxpk= 0, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,
 igr1=1520,1521,1522,
 &end
#
#  95 GLN  HB2    97 LEU  H       5.36             (#peak 1292 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 1292, nxpk= 0, iat=1503,1526, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  94 ASN  HA     97 LEU  H       3.81             (#peak 1298 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1298, nxpk= 0, iat=1487,1526, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  94 ASN  H      97 LEU  H       4.79             (#peak 1300 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 1300, nxpk= 0, iat=1485,1526, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  92 GLN  H      92 GLN  QB      3.20             (#peak 1313 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1313, nxpk= 0, iat=1449,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2=1453,1454,
 &end
#
#  91 ARG  QB     92 GLN  H       3.13             (#peak 1314 #SUP 0.82 #QF 0.59)
 &rst
  ixpk= 1314, nxpk= 0, iat=  -1,1449, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr1=1429,1430,
 &end
#
#  91 ARG  HD3    92 GLN  H       4.51             (#peak 1318 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 1318, nxpk= 0, iat=1436,1449, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  88 LEU  HA     90 ARG  H       4.34             (#peak 1321 #SUP 0.72 #QF 0.51)
 &rst
  ixpk= 1321, nxpk= 0, iat=1370,1401, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  88 LEU  HA     92 GLN  H       4.72             (#peak 1321 #SUP 0.72 #QF 0.51)
 &rst
  ixpk= 1321, nxpk= 0, iat=1370,1449, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  48 ALA  QB     49 GLY  H       3.06             (#peak 1327 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1327, nxpk= 0, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1= 727, 728, 729,
 &end
#
#  47 ARG  HG3    49 GLY  H       4.61             (#peak 1328 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 1328, nxpk= 0, iat= 707, 733, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  47 ARG  HG2    49 GLY  H       4.61             (#peak 1330 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1330, nxpk= 0, iat= 706, 733, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#  45 SER  QB     49 GLY  H       4.81             (#peak 1337 #SUP 0.99 #QF 0.27)
 &rst
  ixpk= 1337, nxpk= 0, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 682, 683,
 &end
#
#  49 GLY  H      68 PRO  QD      5.08             (#peak 1337 #SUP 0.99 #QF 0.27)
 &rst
  ixpk= 1337, nxpk= 0, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=1046,1047,
 &end
#
#  49 GLY  H      67 PHE  HA      5.43             (#peak 1340 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1340, nxpk= 0, iat= 733,1027, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  49 GLY  H      50 SER  HA      4.74             (#peak 1341 #SUP 0.75 #QF 0.75)
 &rst
  ixpk= 1341, nxpk= 0, iat= 733, 742, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  49 GLY  H      65 PHE  QE      4.36             (#peak 1343 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 1343, nxpk= 0, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 996,1000,
 &end
#
#  49 GLY  H      50 SER  H       4.03             (#peak 1345 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1345, nxpk= 0, iat= 733, 740, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  19 GLY  H      52 ILE  QD1     5.00             (#peak 1348 #SUP 0.51 #QF 0.51)
 &rst
  ixpk= 1348, nxpk= 0, iat= 265,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 788, 789, 790,
 &end
#
#  18 ILE  HG13   19 GLY  H       4.32             (#peak 1349 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1349, nxpk= 0, iat= 257, 265, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  18 ILE  HG12   19 GLY  H       5.00             (#peak 1350 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1350, nxpk= 0, iat= 256, 265, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  18 ILE  QG2    19 GLY  H       4.32             (#peak 3349 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 3349, nxpk= 0, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 252, 253, 254,
 &end
#
#  18 ILE  HA     19 GLY  H       5.00             (#peak 1356 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1356, nxpk= 0, iat= 248, 265, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  16 SER  QB     19 GLY  H       4.61             (#peak 1355 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 1355, nxpk= 0, iat=  -1, 265, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 228, 229,
 &end
#
#  20 HIS  HA     19 GLY  H       5.50             (#peak 1357 #SUP 0.58 #QF 0.58)
 &rst
  ixpk= 1357, nxpk= 0, iat= 274, 265, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  84 THR  QG2    85 GLU  H       4.24             (#peak 1362 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1362, nxpk= 0, iat=  -1,1328, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1320,1321,1322,
 &end
#
#  85 GLU  H      85 GLU  HG3     3.64             (#peak 1367 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 1367, nxpk= 0, iat=1328,1336, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  85 GLU  H      85 GLU  HB2     3.67             (#peak 1368 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1368, nxpk= 0, iat=1328,1332, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  85 GLU  H      85 GLU  HG2     3.64             (#peak 1369 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1369, nxpk= 0, iat=1328,1335, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  85 GLU  H      86 GLU  HG2     5.00             (#peak 1370 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1370, nxpk= 0, iat=1328,1350, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  82 ILE  HA     85 GLU  H       3.89             (#peak 1371 #SUP 0.99 #QF 0.37)
 &rst
  ixpk= 1371, nxpk= 0, iat=1280,1328, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  84 THR  HB     85 GLU  H       3.47             (#peak 1373 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 1373, nxpk= 0, iat=1318,1328, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#  30 TRP  HH2    85 GLU  H       4.22             (#peak 1376 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1376, nxpk= 0, iat= 456,1328, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  30 TRP  HZ3    85 GLU  H       4.08             (#peak 1377 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 1377, nxpk= 0, iat= 458,1328, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#  85 GLU  H      86 GLU  H       3.30             (#peak 1379 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1379, nxpk= 0, iat=1328,1343, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
#  83 GLN  H      85 GLU  H       4.42             (#peak 1381 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1381, nxpk= 0, iat=1297,1328, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#  79 ALA  H      81 LEU  H       4.14             (#peak 1385 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1385, nxpk= 0, iat=1239,1259, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  18 ILE  H      18 ILE  HG13    3.52             (#peak 1388 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1388, nxpk= 0, iat= 246, 257, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#  18 ILE  H      18 ILE  HG12    3.32             (#peak 1389 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1389, nxpk= 0, iat= 246, 256, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#  18 ILE  H      68 PRO  QD      5.50             (#peak 1397 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 1397, nxpk= 0, iat= 246,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1046,1047,
 &end
#
#  79 ALA  H      81 LEU  QD1     5                (#peak 1399 #SUP 0.76 #QF 0.76)
 &rst
  ixpk= 1399, nxpk= 0, iat=1239,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1268,1269,1270,
 &end
#
#  91 ARG  H      91 ARG  HG3     3.37             (#peak 1402 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1402, nxpk= 0, iat=1425,1433, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#  91 ARG  H      91 ARG  QB      3.16             (#peak 1407 #SUP 0.72 #QF 0.72)
 &rst
  ixpk= 1407, nxpk= 0, iat=1425,  -1, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,
 igr2=1429,1430,
 &end
#
#  91 ARG  H      92 GLN  HG3     4.86             (#peak 1409 #SUP 0.75 #QF 0.75)
 &rst
  ixpk= 1409, nxpk= 0, iat=1425,1457, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  89 ASN  HB2    91 ARG  H       5.13             (#peak 1410 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1410, nxpk= 0, iat=1391,1425, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  91 ARG  H      91 ARG  HD3     4.44             (#peak 1411 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1411, nxpk= 0, iat=1425,1436, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  91 ARG  H      91 ARG  HD2     4.72             (#peak 1412 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1412, nxpk= 0, iat=1425,1435, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  88 LEU  HA     91 ARG  H       3.74             (#peak 1414 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1414, nxpk= 0, iat=1370,1425, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  89 ASN  HA     91 ARG  H       4.05             (#peak 1417 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 1417, nxpk= 0, iat=1389,1425, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  90 ARG  H      91 ARG  H       2.93             (#peak 1418 #SUP 0.87 #QF 0.81)
 &rst
  ixpk= 1418, nxpk= 0, iat=1401,1425, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
#  90 ARG  HA     91 ARG  H       5                (#peak 1416 #SUP 0.87 #QF 0.81)
 &rst
  ixpk= 1416, nxpk= 0, iat=1403,1425, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  89 ASN  H      91 ARG  H       4.34             (#peak 1419 #SUP 0.99 #QF 0.96)
 &rst
  ixpk= 1419, nxpk= 0, iat=1387,1425, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  91 ARG  H      94 ASN  H       4.78             (#peak 1419 #SUP 0.99 #QF 0.96)
 &rst
  ixpk= 1419, nxpk= 0, iat=1425,1485, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  77 VAL  QG1    78 VAL  H       4.09             (#peak 1422 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1422, nxpk= 0, iat=  -1,1223, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=1213,1214,1215,
 &end
#
#  77 VAL  QG2    78 VAL  H       4.09             (#peak 1423 #SUP 1.00)
 &rst
  ixpk= 1423, nxpk= 0, iat=  -1,1223, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1=1217,1218,1219,
 &end
#
#  78 VAL  H      78 VAL  QG2     3.86             (#peak 1426 #SUP 1.00)
 &rst
  ixpk= 1426, nxpk= 0, iat=1223,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1233,1234,1235,
 &end
#
#  78 VAL  H      80 ALA  QB      5.50             (#peak 1428 #SUP 0.99 #QF 0.24)
 &rst
  ixpk= 1428, nxpk= 0, iat=1223,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1253,1254,1255,
 &end
#
#  78 VAL  H      81 LEU  HG      4.75             (#peak 1429 #SUP 0.72 #QF 0.72)
 &rst
  ixpk= 1429, nxpk= 0, iat=1223,1266, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  78 VAL  H      79 ALA  QB      4.30             (#peak 1430 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1430, nxpk= 0, iat=1223,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1243,1244,1245,
 &end
#
#  78 VAL  H      78 VAL  HB      2.83             (#peak 1431 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1431, nxpk= 0, iat=1223,1227, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
#  74 GLU  HA     78 VAL  H       4.38             (#peak 1435 #SUP 1.00)
 &rst
  ixpk= 1435, nxpk= 0, iat=1158,1223, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  75 LYS  HA     78 VAL  H       4.18             (#peak 1436 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1436, nxpk= 0, iat=1173,1223, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  76 THR  HA     78 VAL  H       4.97             (#peak 1437 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1437, nxpk= 0, iat=1195,1223, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  77 VAL  H      78 VAL  H       3.26             (#peak 1439 #SUP 1.00)
 &rst
  ixpk= 1439, nxpk= 0, iat=1207,1223, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
#  77 VAL  HB     78 VAL  H       3.06             (#peak 1441 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 1441, nxpk= 0, iat=1211,1223, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#  42 GLU  H      52 ILE  QD1     4.63             (#peak 1442 #SUP 1.00)
 &rst
  ixpk= 1442, nxpk= 0, iat= 625,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 788, 789, 790,
 &end
#
#  42 GLU  H      42 GLU  HB2     4.14             (#peak 1447 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1447, nxpk= 0, iat= 625, 629, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  42 GLU  H      42 GLU  HG2     3.90             (#peak 1448 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1448, nxpk= 0, iat= 625, 632, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  42 GLU  H      42 GLU  HG3     4.04             (#peak 1449 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1449, nxpk= 0, iat= 625, 633, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  41 ASN  HB3    42 GLU  H       3.52             (#peak 1450 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 1450, nxpk= 0, iat= 616, 625, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#  13 HIS  HB3    42 GLU  H       4.37             (#peak 1452 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 1452, nxpk= 0, iat= 182, 625, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  14 THR  HB     42 GLU  H       4.49             (#peak 1453 #SUP 0.50 #QF 0.50)
 &rst
  ixpk= 1453, nxpk= 0, iat= 198, 625, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  14 THR  HA     42 GLU  H       3.72             (#peak 1454 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 1454, nxpk= 0, iat= 196, 625, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  41 ASN  HA     42 GLU  H       2.84             (#peak 1456 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 1456, nxpk= 0, iat= 613, 625, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,  &end
#
#  42 GLU  H      43 ARG  HA      5.50             (#peak 1457 #SUP 0.98 #QF 0.53)
 &rst
  ixpk= 1457, nxpk= 0, iat= 625, 642, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  42 GLU  H      52 ILE  HA      5.50             (#peak 1457 #SUP 0.98 #QF 0.53)
 &rst
  ixpk= 1457, nxpk= 0, iat= 625, 777, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  56 VAL  QQG    57 ASN  HD21    3.64             (#peak 1460 #SUP 0.22 #QF 0.22)
 &rst
  ixpk= 1460, nxpk= 0, iat= 844, 867, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,  &end
#
#  57 ASN  HB2    57 ASN  HD21    3.42             (#peak 1461 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1461, nxpk= 0, iat= 861, 867, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
#  57 ASN  HA     57 ASN  HD21    4.16             (#peak 1463 #SUP 0.99 #QF 0.98)
 &rst
  ixpk= 1463, nxpk= 0, iat= 859, 867, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  50 SER  H      50 SER  HB3     4.18             (#peak 1466 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 1466, nxpk= 0, iat= 740, 745, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  49 GLY  HA3    50 SER  H       3.31             (#peak 1467 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1467, nxpk= 0, iat= 736, 740, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#  50 SER  H      50 SER  HB2     4.18             (#peak 1468 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 1468, nxpk= 0, iat= 740, 744, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  49 GLY  HA2    50 SER  H       3.54             (#peak 1469 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 1469, nxpk= 0, iat= 735, 740, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  50 SER  H      65 PHE  HA      5.50             (#peak 1470 #SUP 0.97 #QF 0.88)
 &rst
  ixpk= 1470, nxpk= 0, iat= 740, 988, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  50 SER  H      66 LEU  HA      5.50             (#peak 1470 #SUP 0.97 #QF 0.88)
 &rst
  ixpk= 1470, nxpk= 0, iat= 740,1008, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  50 SER  H      51 TRP  HA      5                (#peak 1472 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 1472, nxpk= 0, iat= 740, 753, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  50 SER  H      66 LEU  HB2     4.43             (#peak 1473 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 1473, nxpk= 0, iat= 740,1010, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  18 ILE  QD1    50 SER  H       4.42             (#peak 1474 #SUP 0.75 #QF 0.75)
 &rst
  ixpk= 1474, nxpk= 0, iat=  -1, 740, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 259, 260, 261,
 &end
#
#  50 SER  H      66 LEU  HB3     4.29             (#peak 1476 #SUP 1.00)
 &rst
  ixpk= 1476, nxpk= 0, iat= 740,1011, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  50 SER  H      68 PRO  QD      4.55             (#peak 1477 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 1477, nxpk= 0, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2=1046,1047,
 &end
#
#  50 SER  H      65 PHE  QE      4.22             (#peak 1478 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 1478, nxpk= 0, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 996,1000,
 &end
#
#  50 SER  H      65 PHE  HZ      5.03             (#peak 1479 #SUP 0.61 #QF 0.61)
 &rst
  ixpk= 1479, nxpk= 0, iat= 740, 998, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  50 SER  H      51 TRP  H       4.59             (#peak 1481 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 1481, nxpk= 0, iat= 740, 751, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  89 ASN  HB3    89 ASN  HD21    3.28             (#peak 1482 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1482, nxpk= 0, iat=1392,1397, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#  86 GLU  HA     89 ASN  HD21    3.95             (#peak 1483 #SUP 0.94 #QF 0.91)
 &rst
  ixpk= 1483, nxpk= 0, iat=1345,1397, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  89 ASN  HA     89 ASN  HD21    4.41             (#peak 1484 #SUP 1.00)
 &rst
  ixpk= 1484, nxpk= 0, iat=1389,1397, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#  94 ASN  H      94 ASN  HD21    3.91             (#peak 1486 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1486, nxpk= 0, iat=1485,1495, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  50 SER  H      66 LEU  H       3.95             (#peak 1488 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 1488, nxpk= 0, iat= 740,1006, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  61 ILE  H      62 PHE  H       3.00             (#peak 1490 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1490, nxpk= 0, iat= 916, 935, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  62 PHE  H      62 PHE  QD      4.46             (#peak 1497 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1497, nxpk= 0, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 943, 951,
 &end
#
#  55 THR  HA     62 PHE  H       4.56             (#peak 1498 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1498, nxpk= 0, iat= 829, 935, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  60 VAL  HA     62 PHE  H       4.11             (#peak 1503 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1503, nxpk= 0, iat= 902, 935, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  62 PHE  H      62 PHE  HB2     3.76             (#peak 1504 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1504, nxpk= 0, iat= 935, 939, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  62 PHE  H      62 PHE  HB3     3.60             (#peak 1505 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1505, nxpk= 0, iat= 935, 940, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  61 ILE  HB     62 PHE  H       4                (#peak 1507 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1507, nxpk= 0, iat= 920, 935, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  62 PHE  H      87 ALA  QB      4.97             (#peak 1509 #SUP 0.76 #QF 0.76)
 &rst
  ixpk= 1509, nxpk= 0, iat= 935,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2=1362,1363,1364,
 &end
#
#  54 ILE  QG1    62 PHE  H       5.33             (#peak 1510 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 1510, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 818, 819,
 &end
#
#  61 ILE  HG13   62 PHE  H       3.73             (#peak 1511 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1511, nxpk= 0, iat= 927, 935, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  61 ILE  HG12   62 PHE  H       3.71             (#peak 1512 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1512, nxpk= 0, iat= 926, 935, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  54 ILE  QG2    62 PHE  H       2.99             (#peak 1515 #SUP 0.73 #QF 0.51)
 &rst
  ixpk= 1515, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1= 814, 815, 816,
 &end
#
#  92 GLN  HE21   93 ILE  QG2     4.81             (#peak 1519 #SUP 0.65 #QF 0.65)
 &rst
  ixpk= 1519, nxpk= 0, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2=1472,1473,1474,
 &end
#
#  58 GLN  HA     58 GLN  HE21    5                (#peak 1521 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1521, nxpk= 0, iat= 873, 884, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  58 GLN  HB2    58 GLN  HE21    4.50             (#peak 1524 #SUP 0.99 #QF 0.84)
 &rst
  ixpk= 1524, nxpk= 0, iat= 875, 884, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  58 GLN  HB3    58 GLN  HE21    4.50             (#peak 1525 #SUP 0.98 #QF 0.96)
 &rst
  ixpk= 1525, nxpk= 0, iat= 876, 884, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  37 ASN  HD21   38 LEU  H       4.54             (#peak 1534 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1534, nxpk= 0, iat= 555, 559, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#   8 GLY  H      37 ASN  HD21    4.18             (#peak 1535 #SUP 0.88 #QF 0.70)
 &rst
  ixpk= 1535, nxpk= 0, iat= 106, 555, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  30 TRP  HB3    31 GLU  H       4.60             (#peak 1543 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1543, nxpk= 0, iat= 446, 465, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  31 GLU  H      31 GLU  HB2     3.69             (#peak 1544 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 1544, nxpk= 0, iat= 465, 469, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  30 TRP  HA     31 GLU  H       2.71             (#peak 1549 #SUP 0.65 #QF 0.65)
 &rst
  ixpk= 1549, nxpk= 0, iat= 443, 465, r1= 1.30, r2= 1.80, r3= 2.71, r4= 3.21,  &end
#
#  31 GLU  H      32 SER  HA      4.73             (#peak 1550 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 1550, nxpk= 0, iat= 465, 482, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  30 TRP  HZ3    31 GLU  H       4.35             (#peak 1552 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 1552, nxpk= 0, iat= 458, 465, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  31 GLU  H      32 SER  H       4.5              (#peak 1553 #SUP 0.66 #QF 0.66)
 &rst
  ixpk= 1553, nxpk= 0, iat= 465, 480, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  30 TRP  H      31 GLU  H       4.81             (#peak 1554 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1554, nxpk= 0, iat= 441, 465, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  63 GLN  H      64 THR  H       4.40             (#peak 1555 #SUP 1.00)
 &rst
  ixpk= 1555, nxpk= 0, iat= 955, 972, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  62 PHE  H      63 GLN  H       4.44             (#peak 1556 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 1556, nxpk= 0, iat= 935, 955, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  62 PHE  QE     63 GLN  H       3.91             (#peak 1557 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1557, nxpk= 0, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,
 igr1= 945, 949,
 &end
#
#  62 PHE  HA     63 GLN  H       2.61             (#peak 1559 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 1559, nxpk= 0, iat= 937, 955, r1= 1.30, r2= 1.80, r3= 2.61, r4= 3.11,  &end
#
#  63 GLN  H      64 THR  HA      5                (#peak 1561 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 1561, nxpk= 0, iat= 955, 974, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  62 PHE  HB2    63 GLN  H       3.81             (#peak 1562 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1562, nxpk= 0, iat= 939, 955, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  62 PHE  HB3    63 GLN  H       4.11             (#peak 1563 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1563, nxpk= 0, iat= 940, 955, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  63 GLN  H      63 GLN  QG      3.56             (#peak 1565 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1565, nxpk= 0, iat= 955,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 962, 963,
 &end
#
#  63 GLN  H      63 GLN  QB      3.53             (#peak 1567 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1567, nxpk= 0, iat= 955,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 959, 960,
 &end
#
#  53 THR  QG2    63 GLN  H       5.5              (#peak 1568 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1568, nxpk= 0, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 800, 801, 802,
 &end
#
#  54 ILE  QG2    63 GLN  H       4.40             (#peak 1570 #SUP 0.55 #QF 0.55)
 &rst
  ixpk= 1570, nxpk= 0, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 814, 815, 816,
 &end
#
#  62 PHE  QD     63 GLN  H       3.44             (#peak 1572 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1572, nxpk= 0, iat=  -1, 955, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr1= 943, 951,
 &end
#
#  31 GLU  HA     32 SER  H       3.13             (#peak 1577 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 1577, nxpk= 0, iat= 467, 480, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
#  31 GLU  HB3    32 SER  H       4.69             (#peak 1582 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1582, nxpk= 0, iat= 470, 480, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  31 GLU  HB2    32 SER  H       4.69             (#peak 1583 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1583, nxpk= 0, iat= 469, 480, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  31 GLU  QG     32 SER  H       4.59             (#peak 1585 #SUP 0.69 #QF 0.69)
 &rst
  ixpk= 1585, nxpk= 0, iat=  -1, 480, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 472, 473,
 &end
#
#  35 THR  HB     36 GLY  H       4.85             (#peak 1588 #SUP 0.93 #QF 0.82)
 &rst
  ixpk= 1588, nxpk= 0, iat= 528, 538, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  35 THR  QG2    36 GLY  H       4.53             (#peak 1590 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1590, nxpk= 0, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 530, 531, 532,
 &end
#
#  63 GLN  QG     63 GLN  HE22    3.59             (#peak 1593 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1593, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 962, 963,
 &end
#
#  63 GLN  QB     63 GLN  HE22    3.93             (#peak 1594 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1594, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 959, 960,
 &end
#
#  53 THR  QG2    63 GLN  HE22    4.31             (#peak 1596 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1596, nxpk= 0, iat=  -1, 967, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 800, 801, 802,
 &end
#
#  41 ASN  HB2    41 ASN  HD21    3.5              (#peak 1600 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1600, nxpk= 0, iat= 615, 621, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  39 THR  QG2    41 ASN  HD21    3.85             (#peak 1603 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 1603, nxpk= 0, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 584, 585, 586,
 &end
#
#  41 ASN  HD21   55 THR  QG2     3.92             (#peak 1611 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 1611, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 833, 834, 835,
 &end
#
#  37 ASN  HA     37 ASN  HD22    4.19             (#peak 1618 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1618, nxpk= 0, iat= 547, 554, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  58 GLN  HB2    58 GLN  HE22    4.74             (#peak 1630 #SUP 1.00 #QF 0.97)
 &rst
  ixpk= 1630, nxpk= 0, iat= 875, 883, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  58 GLN  HB3    58 GLN  HE22    4.71             (#peak 1631 #SUP 1.00)
 &rst
  ixpk= 1631, nxpk= 0, iat= 876, 883, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  25 ALA  HA     29 LYS  H       4.58             (#peak 1643 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 1643, nxpk= 0, iat= 368, 419, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  27 SER  HA     29 LYS  H       4.60             (#peak 1644 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1644, nxpk= 0, iat= 398, 419, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  26 PHE  HA     29 LYS  H       4.14             (#peak 1645 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1645, nxpk= 0, iat= 378, 419, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  29 LYS  H      29 LYS  QE      4.97             (#peak 1646 #SUP 1.00 #QF 0.98)
 &rst
  ixpk= 1646, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2= 432, 433,
 &end
#
#  28 ASP  HB2    29 LYS  H       3.57             (#peak 1647 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1647, nxpk= 0, iat= 411, 419, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#  28 ASP  HB3    29 LYS  H       3.64             (#peak 1649 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1649, nxpk= 0, iat= 412, 419, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  29 LYS  H      29 LYS  QG      3.53             (#peak 1652 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1652, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2= 426, 427,
 &end
#
#  29 LYS  H      81 LEU  QD1     4.26             (#peak 1653 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1653, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1268,1269,1270,
 &end
#
#  29 LYS  H      81 LEU  QD2     3.81             (#peak 1655 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1655, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1272,1273,1274,
 &end
#
#  92 GLN  QB     92 GLN  HE22    4.43             (#peak 1664 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1664, nxpk= 0, iat=  -1,1461, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=1453,1454,
 &end
#
#  42 GLU  HA     52 ILE  H       4.83             (#peak 1668 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1668, nxpk= 0, iat= 627, 775, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  18 ILE  HB     67 PHE  H       5.50             (#peak 1670 #SUP 0.56 #QF 0.56)
 &rst
  ixpk= 1670, nxpk= 0, iat= 250,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   6 VAL  H       6 VAL  HB      2.98             (#peak 1672 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1672, nxpk= 0, iat=  76,  80, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
#   4 VAL  HA      6 VAL  H       4.73             (#peak 1674 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 1674, nxpk= 0, iat=  47,  76, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   5 GLU  HA      6 VAL  H       2.93             (#peak 1675 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1675, nxpk= 0, iat=  63,  76, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
#   5 GLU  H       6 VAL  H       3.58             (#peak 1676 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1676, nxpk= 0, iat=  61,  76, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#   9 LEU  H      10 LEU  H       3.33             (#peak 1677 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1677, nxpk= 0, iat= 113, 132, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  26 PHE  QD     30 TRP  H       5.33             (#peak 1682 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1682, nxpk= 0, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 384, 392,
 &end
#
#  27 SER  HA     30 TRP  H       3.68             (#peak 1686 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1686, nxpk= 0, iat= 398, 441, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#  27 SER  HB2    30 TRP  H       5.50             (#peak 1688 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1688, nxpk= 0, iat= 400, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  26 PHE  HA     30 TRP  H       5.48             (#peak 1689 #SUP 1.00 #QF 0.99)
 &rst
  ixpk= 1689, nxpk= 0, iat= 378, 441, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  27 SER  HB3    30 TRP  H       5.50             (#peak 1689 #SUP 1.00 #QF 0.99)
 &rst
  ixpk= 1689, nxpk= 0, iat= 401, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  30 TRP  H      30 TRP  HB2     3.02             (#peak 1691 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1691, nxpk= 0, iat= 441, 445, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#  30 TRP  H      30 TRP  HB3     3.02             (#peak 1692 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1692, nxpk= 0, iat= 441, 446, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
#  28 ASP  HB3    30 TRP  H       5.5              (#peak 1693 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1693, nxpk= 0, iat= 412, 441, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  28 ASP  HB2    30 TRP  H       5.23             (#peak 1694 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1694, nxpk= 0, iat= 411, 441, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  29 LYS  HB2    30 TRP  H       4.67             (#peak 1695 #SUP 1.00)
 &rst
  ixpk= 1695, nxpk= 0, iat= 423, 441, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  29 LYS  QG     30 TRP  H       4.32             (#peak 1697 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 1697, nxpk= 0, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 426, 427,
 &end
#
#  43 ARG  HA     51 TRP  H       4.62             (#peak 1702 #SUP 0.64 #QF 0.64)
 &rst
  ixpk= 1702, nxpk= 0, iat= 642, 751, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#  42 GLU  HA     51 TRP  H       4.55             (#peak 1703 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1703, nxpk= 0, iat= 627, 751, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  50 SER  HB2    51 TRP  H       4.38             (#peak 1708 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1708, nxpk= 0, iat= 744, 751, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  18 ILE  QG2    21 ASP  H       5.49             (#peak 1710 #SUP 0.86 #QF 0.78)
 &rst
  ixpk= 1710, nxpk= 0, iat=  -1, 289, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 252, 253, 254,
 &end
#
#  43 ARG  QG     51 TRP  H       4.68             (#peak 1712 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1712, nxpk= 0, iat=  -1, 751, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 647, 648,
 &end
#
#  43 ARG  HB3    51 TRP  H       4.60             (#peak 1713 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 1713, nxpk= 0, iat= 645, 751, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  43 ARG  HB2    51 TRP  H       4.60             (#peak 1714 #SUP 1.00)
 &rst
  ixpk= 1714, nxpk= 0, iat= 644, 751, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  21 ASP  H      21 ASP  HB3     3.53             (#peak 1715 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1715, nxpk= 0, iat= 289, 294, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  21 ASP  H      21 ASP  HB2     3.12             (#peak 1717 #SUP 0.97 #QF 0.93)
 &rst
  ixpk= 1717, nxpk= 0, iat= 289, 293, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
#  51 TRP  H      51 TRP  HB3     3.48             (#peak 1717 #SUP 0.97 #QF 0.93)
 &rst
  ixpk= 1717, nxpk= 0, iat= 751, 756, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  50 SER  HA     51 TRP  H       2.98             (#peak 1721 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 1721, nxpk= 0, iat= 742, 751, r1= 1.30, r2= 1.80, r3= 2.98, r4= 3.48,  &end
#
#  51 TRP  H      51 TRP  HD1     4.48             (#peak 1723 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1723, nxpk= 0, iat= 751, 759, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  20 HIS  HD2    21 ASP  H       4.75             (#peak 1724 #SUP 0.65 #QF 0.65)
 &rst
  ixpk= 1724, nxpk= 0, iat= 285, 289, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  21 ASP  H      73 PHE  QE      4.12             (#peak 1725 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 1725, nxpk= 0, iat= 289,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1146,1150,
 &end
#
#  19 GLY  H      21 ASP  H       4.39             (#peak 1726 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1726, nxpk= 0, iat= 265, 289, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  21 ASP  H      73 PHE  HZ      4.70             (#peak 1727 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1727, nxpk= 0, iat= 289,1148, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  43 ARG  H      51 TRP  H       3.78             (#peak 1730 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1730, nxpk= 0, iat= 640, 751, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#  29 LYS  H      30 TRP  H       2.84             (#peak 1732 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1732, nxpk= 0, iat= 419, 441, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,  &end
#
#   6 VAL  H       6 VAL  QQG     2.93             (#peak 1733 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1733, nxpk= 0, iat=  76,  79, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  66 LEU  HA     67 PHE  H       2.87             (#peak 1734 #SUP 0.99 #QF 0.97)
 &rst
  ixpk= 1734, nxpk= 0, iat=1008,1025, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,  &end
#
#  42 GLU  H      43 ARG  H       4.77             (#peak 1740 #SUP 1.00)
 &rst
  ixpk= 1740, nxpk= 0, iat= 625, 640, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  42 GLU  HA     43 ARG  H       3.06             (#peak 1741 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1741, nxpk= 0, iat= 627, 640, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#  43 ARG  H      50 SER  HA      4.28             (#peak 1743 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 1743, nxpk= 0, iat= 640, 742, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#  43 ARG  H      51 TRP  HA      4.46             (#peak 1744 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1744, nxpk= 0, iat= 640, 753, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  43 ARG  H      44 PRO  HD2     4.83             (#peak 1745 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1745, nxpk= 0, iat= 640, 665, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  43 ARG  H      51 TRP  HB2     4.83             (#peak 1747 #SUP 0.91 #QF 0.70)
 &rst
  ixpk= 1747, nxpk= 0, iat= 640, 755, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  43 ARG  H      51 TRP  HB3     4.83             (#peak 1747 #SUP 0.91 #QF 0.70)
 &rst
  ixpk= 1747, nxpk= 0, iat= 640, 756, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  42 GLU  HG3    43 ARG  H       4.40             (#peak 1748 #SUP 1.00)
 &rst
  ixpk= 1748, nxpk= 0, iat= 633, 640, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#  43 ARG  H      43 ARG  HB2     3.54             (#peak 1749 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1749, nxpk= 0, iat= 640, 644, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  43 ARG  H      43 ARG  HB3     3.54             (#peak 1750 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1750, nxpk= 0, iat= 640, 645, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  42 GLU  HB3    43 ARG  H       4.47             (#peak 1751 #SUP 1.00 #QF 0.84)
 &rst
  ixpk= 1751, nxpk= 0, iat= 630, 640, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  43 ARG  H      43 ARG  QG      4.77             (#peak 1751 #SUP 1.00 #QF 0.84)
 &rst
  ixpk= 1751, nxpk= 0, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 647, 648,
 &end
#
#  43 ARG  H      52 ILE  QD1     4.17             (#peak 1753 #SUP 1.00)
 &rst
  ixpk= 1753, nxpk= 0, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 788, 789, 790,
 &end
#
#  42 GLU  HB2    43 ARG  H       3.83             (#peak 1754 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1754, nxpk= 0, iat= 629, 640, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  51 TRP  H      51 TRP  HB2     3.48             (#peak 1756 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1756, nxpk= 0, iat= 751, 755, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  50 SER  HB3    51 TRP  H       4.38             (#peak 1757 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1757, nxpk= 0, iat= 745, 751, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  18 ILE  HA     20 HIS  H       4.83             (#peak 1759 #SUP 1.00)
 &rst
  ixpk= 1759, nxpk= 0, iat= 248, 272, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  20 HIS  H      20 HIS  HD2     4.99             (#peak 1764 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1764, nxpk= 0, iat= 272, 285, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  19 GLY  H      20 HIS  H       3.44             (#peak 1765 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1765, nxpk= 0, iat= 265, 272, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  18 ILE  H      20 HIS  H       4.00             (#peak 1766 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1766, nxpk= 0, iat= 246, 272, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  20 HIS  H      21 ASP  H       3.33             (#peak 1767 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1767, nxpk= 0, iat= 272, 289, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
#  17 SER  H      20 HIS  H       4.81             (#peak 1769 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 1769, nxpk= 0, iat= 235, 272, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  10 LEU  HG     30 TRP  HE1     5.05             (#peak 1805 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 1805, nxpk= 0, iat= 139, 451, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  10 LEU  QD1    30 TRP  HE1     4.15             (#peak 1806 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 1806, nxpk= 0, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 141, 142, 143,
 &end
#
#  51 TRP  HE1    65 PHE  HZ      4.91             (#peak 1813 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1813, nxpk= 0, iat= 761, 998, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  51 TRP  HE1    65 PHE  QE      4.55             (#peak 1814 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 1814, nxpk= 0, iat= 761,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 996,1000,
 &end
#
#  51 TRP  HE1    65 PHE  QD      4.55             (#peak 1815 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 1815, nxpk= 0, iat= 761,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 994,1002,
 &end
#
#  18 ILE  H      19 GLY  H       3.23             (#peak 1823 #SUP 0.52 #QF 0.52)
 &rst
  ixpk= 1823, nxpk= 0, iat= 246, 265, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
#  78 VAL  H      79 ALA  H       3.03             (#peak 1825 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1825, nxpk= 0, iat=1223,1239, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
#  18 ILE  H      18 ILE  QD1     3.62             (#peak 1826 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1826, nxpk= 0, iat= 246,  -1, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr2= 259, 260, 261,
 &end
#
#  78 VAL  QG2    79 ALA  H       4.05             (#peak 1827 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1827, nxpk= 0, iat=  -1,1239, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1233,1234,1235,
 &end
#
#  78 VAL  QG1    79 ALA  H       4.05             (#peak 1828 #SUP 1.00)
 &rst
  ixpk= 1828, nxpk= 0, iat=  -1,1239, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1229,1230,1231,
 &end
#
#  79 ALA  H      79 ALA  QB      2.71             (#peak 1830 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1830, nxpk= 0, iat=1239,  -1, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,
 igr2=1243,1244,1245,
 &end
#
#  78 VAL  HB     79 ALA  H       4.01             (#peak 1831 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1831, nxpk= 0, iat=1227,1239, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  79 ALA  H      79 ALA  HA      2.94             (#peak 1832 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 1832, nxpk= 0, iat=1239,1241, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
#  76 THR  QG2    79 ALA  H       4.94             (#peak 1834 #SUP 1.00 #QF 0.25)
 &rst
  ixpk= 1834, nxpk= 0, iat=  -1,1239, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=1199,1200,1201,
 &end
#
#  79 ALA  H      80 ALA  QB      5.15             (#peak 1834 #SUP 1.00 #QF 0.25)
 &rst
  ixpk= 1834, nxpk= 0, iat=1239,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr2=1253,1254,1255,
 &end
#
#  31 GLU  H      31 GLU  HB3     3.69             (#peak 1846 #SUP 0.69 #QF 0.69)
 &rst
  ixpk= 1846, nxpk= 0, iat= 465, 470, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  47 ARG  H      47 ARG  QB      3.71             (#peak 1848 #SUP 1.00)
 &rst
  ixpk= 1848, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 703, 704,
 &end
#
#  89 ASN  H      89 ASN  HB3     3.49             (#peak 1849 #SUP 1.00)
 &rst
  ixpk= 1849, nxpk= 0, iat=1387,1392, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  94 ASN  H      94 ASN  HB3     3.62             (#peak 1852 #SUP 1.00)
 &rst
  ixpk= 1852, nxpk= 0, iat=1485,1490, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  89 ASN  H      90 ARG  QB      4.83             (#peak 1858 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 1858, nxpk= 0, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=1405,1406,
 &end
#
#  88 LEU  HG     89 ASN  H       4.60             (#peak 1860 #SUP 1.00)
 &rst
  ixpk= 1860, nxpk= 0, iat=1375,1387, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  87 ALA  QB     89 ASN  H       4.42             (#peak 1861 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 1861, nxpk= 0, iat=  -1,1387, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1=1362,1363,1364,
 &end
#
#  88 LEU  HB2    89 ASN  H       3.84             (#peak 1862 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1862, nxpk= 0, iat=1372,1387, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  88 LEU  QD1    89 ASN  H       5.26             (#peak 1863 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 1863, nxpk= 0, iat=  -1,1387, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=1377,1378,1379,
 &end
#
#  88 LEU  QD2    89 ASN  H       5.26             (#peak 1864 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1864, nxpk= 0, iat=  -1,1387, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=1381,1382,1383,
 &end
#
#  92 GLN  HG3    94 ASN  H       5.16             (#peak 1865 #SUP 0.97 #QF 0.93)
 &rst
  ixpk= 1865, nxpk= 0, iat=1457,1485, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  92 GLN  QB     94 ASN  H       4.80             (#peak 1866 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1866, nxpk= 0, iat=  -1,1485, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1453,1454,
 &end
#
#  94 ASN  H      95 GLN  HB2     5.40             (#peak 1867 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1867, nxpk= 0, iat=1485,1503, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#  93 ILE  HB     94 ASN  H       3.31             (#peak 1869 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1869, nxpk= 0, iat=1470,1485, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#  94 ASN  H      97 LEU  HG      4.59             (#peak 1870 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 1870, nxpk= 0, iat=1485,1533, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#  93 ILE  HG13   94 ASN  H       4.27             (#peak 1871 #SUP 1.00)
 &rst
  ixpk= 1871, nxpk= 0, iat=1477,1485, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  93 ILE  HG12   94 ASN  H       5.02             (#peak 1872 #SUP 1.00)
 &rst
  ixpk= 1872, nxpk= 0, iat=1476,1485, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#  93 ILE  QD1    94 ASN  H       5.50             (#peak 1874 #SUP 1.00)
 &rst
  ixpk= 1874, nxpk= 0, iat=  -1,1485, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1479,1480,1481,
 &end
#
#  90 ARG  HA     94 ASN  H       4.36             (#peak 1876 #SUP 0.71 #QF 0.71)
 &rst
  ixpk= 1876, nxpk= 0, iat=1403,1485, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  86 GLU  HA     89 ASN  H       3.63             (#peak 1878 #SUP 0.53 #QF 0.53)
 &rst
  ixpk= 1878, nxpk= 0, iat=1345,1387, r1= 1.30, r2= 1.80, r3= 3.63, r4= 4.13,  &end
#
#  93 ILE  H      94 ASN  H       2.96             (#peak 1882 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1882, nxpk= 0, iat=1466,1485, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
#  89 ASN  H      90 ARG  H       3.21             (#peak 1883 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1883, nxpk= 0, iat=1387,1401, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#  94 ASN  H      96 ALA  H       4.50             (#peak 1885 #SUP 1.00)
 &rst
  ixpk= 1885, nxpk= 0, iat=1485,1516, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  30 TRP  HZ3    84 THR  H       4.54             (#peak 1889 #SUP 0.53 #QF 0.53)
 &rst
  ixpk= 1889, nxpk= 0, iat= 458,1314, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#  65 PHE  QD     66 LEU  H       4.14             (#peak 1895 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1895, nxpk= 0, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 994,1002,
 &end
#
#  51 TRP  HA     66 LEU  H       3.83             (#peak 1896 #SUP 0.76 #QF 0.76)
 &rst
  ixpk= 1896, nxpk= 0, iat= 753,1006, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  65 PHE  HA     66 LEU  H       3.10             (#peak 1897 #SUP 1.00 #QF 0.70)
 &rst
  ixpk= 1897, nxpk= 0, iat= 988,1006, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#  66 LEU  H      66 LEU  HB3     3.57             (#peak 1899 #SUP 1.00)
 &rst
  ixpk= 1899, nxpk= 0, iat=1006,1011, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#  66 LEU  H      66 LEU  HG      3.86             (#peak 1900 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1900, nxpk= 0, iat=1006,1013, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#  66 LEU  H      66 LEU  HB2     3.65             (#peak 1901 #SUP 1.00 #QF 0.91)
 &rst
  ixpk= 1901, nxpk= 0, iat=1006,1010, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  52 ILE  HG13   66 LEU  H       4.77             (#peak 1903 #SUP 0.99 #QF 0.90)
 &rst
  ixpk= 1903, nxpk= 0, iat= 786,1006, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  52 ILE  QD1    66 LEU  H       5.18             (#peak 1903 #SUP 0.99 #QF 0.90)
 &rst
  ixpk= 1903, nxpk= 0, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 788, 789, 790,
 &end
#
#  94 ASN  H      94 ASN  HA      2.86             (#peak 1906 #SUP 0.53 #QF 0.53)
 &rst
  ixpk= 1906, nxpk= 0, iat=1485,1487, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
#  92 GLN  HA     94 ASN  H       4.00             (#peak 1908 #SUP 0.37 #QF 0.37)
 &rst
  ixpk= 1908, nxpk= 0, iat=1451,1485, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  95 GLN  H      95 GLN  HA      2.86             (#peak 1909 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1909, nxpk= 0, iat=1499,1501, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
#  94 ASN  H      94 ASN  HB2     3.62             (#peak 1911 #SUP 0.62 #QF 0.50)
 &rst
  ixpk= 1911, nxpk= 0, iat=1485,1489, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  94 ASN  HB2    95 GLN  H       4.13             (#peak 1911 #SUP 0.62 #QF 0.50)
 &rst
  ixpk= 1911, nxpk= 0, iat=1489,1499, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  94 ASN  HB3    95 GLN  H       4.13             (#peak 1912 #SUP 0.90 #QF 0.54)
 &rst
  ixpk= 1912, nxpk= 0, iat=1490,1499, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  95 GLN  H      95 GLN  HB2     2.82             (#peak 1913 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1913, nxpk= 0, iat=1499,1503, r1= 1.30, r2= 1.80, r3= 2.82, r4= 3.32,  &end
#
#  95 GLN  H      95 GLN  HG3     3.69             (#peak 1915 #SUP 1.00)
 &rst
  ixpk= 1915, nxpk= 0, iat=1499,1507, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  95 GLN  H      95 GLN  HG2     3.69             (#peak 1916 #SUP 1.00)
 &rst
  ixpk= 1916, nxpk= 0, iat=1499,1506, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  95 GLN  H      96 ALA  QB      4.68             (#peak 1918 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1918, nxpk= 0, iat=1499,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2=1520,1521,1522,
 &end
#
#  57 ASN  HB2    57 ASN  HD22    3.83             (#peak 1924 #SUP 1.00)
 &rst
  ixpk= 1924, nxpk= 0, iat= 861, 866, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  56 VAL  QQG    57 ASN  HD22    5.47             (#peak 1925 #SUP 0.51 #QF 0.35)
 &rst
  ixpk= 1925, nxpk= 0, iat= 844, 866, r1= 1.30, r2= 1.80, r3= 7.67, r4= 8.17,  &end
#
#  57 ASN  HD21   58 GLN  H       4.09             (#peak 1927 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1927, nxpk= 0, iat= 867, 871, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  86 GLU  HA     89 ASN  HD22    4.18             (#peak 1931 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 1931, nxpk= 0, iat=1345,1396, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  89 ASN  HA     89 ASN  HD22    4.48             (#peak 1932 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1932, nxpk= 0, iat=1389,1396, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  89 ASN  HB3    89 ASN  HD22    3.85             (#peak 1933 #SUP 1.00)
 &rst
  ixpk= 1933, nxpk= 0, iat=1392,1396, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  89 ASN  HB2    89 ASN  HD22    3.69             (#peak 1934 #SUP 1.00)
 &rst
  ixpk= 1934, nxpk= 0, iat=1391,1396, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  89 ASN  HD22   93 ILE  QD1     4.16             (#peak 1935 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1935, nxpk= 0, iat=1396,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2=1479,1480,1481,
 &end
#
#  89 ASN  HB2    89 ASN  HD21    3.09             (#peak 1938 #SUP 0.97 #QF 0.93)
 &rst
  ixpk= 1938, nxpk= 0, iat=1391,1397, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
#  94 ASN  HB2    94 ASN  HD21    3.53             (#peak 1938 #SUP 0.97 #QF 0.93)
 &rst
  ixpk= 1938, nxpk= 0, iat=1489,1495, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  89 ASN  HD21   93 ILE  QD1     5                (#peak 1939 #SUP 1.00)
 &rst
  ixpk= 1939, nxpk= 0, iat=1397,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1479,1480,1481,
 &end
#
#  86 GLU  HB3    89 ASN  HD21    4.98             (#peak 1940 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 1940, nxpk= 0, iat=1348,1397, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  90 ARG  QB     94 ASN  HD21    4.65             (#peak 1941 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 1941, nxpk= 0, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1405,1406,
 &end
#
#  86 GLU  HG3    89 ASN  HD21    5.50             (#peak 1942 #SUP 0.80 #QF 0.35)
 &rst
  ixpk= 1942, nxpk= 0, iat=1351,1397, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  91 ARG  H      94 ASN  HD21    5.00             (#peak 1943 #SUP 0.64 #QF 0.64)
 &rst
  ixpk= 1943, nxpk= 0, iat=1425,1495, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  51 TRP  HZ3    63 GLN  HE21    4.21             (#peak 1949 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1949, nxpk= 0, iat= 768, 968, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  51 TRP  HH2    63 GLN  HE21    4.06             (#peak 1950 #SUP 0.71 #QF 0.71)
 &rst
  ixpk= 1950, nxpk= 0, iat= 766, 968, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#  51 TRP  HE3    63 GLN  HE21    4.26             (#peak 1951 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1951, nxpk= 0, iat= 770, 968, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#  63 GLN  QB     63 GLN  HE21    3.80             (#peak 1952 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1952, nxpk= 0, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 959, 960,
 &end
#
#  63 GLN  HE21   64 THR  H       5.12             (#peak 1956 #SUP 0.69 #QF 0.69)
 &rst
  ixpk= 1956, nxpk= 0, iat= 968, 972, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  51 TRP  HE3    63 GLN  HE22    4.58             (#peak 1957 #SUP 0.71 #QF 0.71)
 &rst
  ixpk= 1957, nxpk= 0, iat= 770, 967, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   8 GLY  H      37 ASN  HD22    4.49             (#peak 1958 #SUP 0.63 #QF 0.44)
 &rst
  ixpk= 1958, nxpk= 0, iat= 106, 554, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  37 ASN  HA     37 ASN  HD21    3.60             (#peak 1964 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1964, nxpk= 0, iat= 547, 555, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  36 GLY  HA3    37 ASN  HD21    5.50             (#peak 1967 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 1967, nxpk= 0, iat= 541, 555, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   9 LEU  QB     37 ASN  HD21    4.30             (#peak 1968 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 1968, nxpk= 0, iat=  -1, 555, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 117, 118,
 &end
#
#  95 GLN  H      95 GLN  HE21    4.50             (#peak 1972 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 1972, nxpk= 0, iat=1499,1512, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  95 GLN  HG2    95 GLN  HE21    3.51             (#peak 1986 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 1986, nxpk= 0, iat=1506,1512, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  95 GLN  HG3    95 GLN  HE21    3.51             (#peak 1987 #SUP 1.00)
 &rst
  ixpk= 1987, nxpk= 0, iat=1507,1512, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  92 GLN  QB     95 GLN  HE21    4.26             (#peak 1988 #SUP 0.49 #QF 0.49)
 &rst
  ixpk= 1988, nxpk= 0, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1=1453,1454,
 &end
#
#  92 GLN  QB     95 GLN  HE22    5.31             (#peak 1989 #SUP 0.97 #QF 0.24)
 &rst
  ixpk= 1989, nxpk= 0, iat=  -1,1511, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1=1453,1454,
 &end
#
#  95 GLN  HB2    95 GLN  HE21    4.58             (#peak 1990 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1990, nxpk= 0, iat=1503,1512, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  63 GLN  QG     63 GLN  HE21    3.12             (#peak 1991 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1991, nxpk= 0, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr1= 962, 963,
 &end
#
#  51 TRP  HZ3    63 GLN  HE22    4.46             (#peak 1995 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1995, nxpk= 0, iat= 768, 967, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  57 ASN  HA     57 ASN  HD22    4.57             (#peak 2004 #SUP 1.00)
 &rst
  ixpk= 2004, nxpk= 0, iat= 859, 866, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  41 ASN  HB2    41 ASN  HD22    3.88             (#peak 2008 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 2008, nxpk= 0, iat= 615, 620, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  39 THR  QG2    41 ASN  HD22    3.85             (#peak 2011 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 2011, nxpk= 0, iat=  -1, 620, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 584, 585, 586,
 &end
#
#  41 ASN  HD22   55 THR  QG2     3.92             (#peak 2012 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 2012, nxpk= 0, iat= 620,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 833, 834, 835,
 &end
#
#  90 ARG  QB     94 ASN  HD22    4.57             (#peak 2020 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2020, nxpk= 0, iat=  -1,1494, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1=1405,1406,
 &end
#
#  90 ARG  QD     94 ASN  HD22    5.26             (#peak 2021 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 2021, nxpk= 0, iat=  -1,1494, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1411,1412,
 &end
#
#  94 ASN  HB3    94 ASN  HD21    3.53             (#peak 2032 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2032, nxpk= 0, iat=1490,1495, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  94 ASN  HA     94 ASN  HD21    4.24             (#peak 2033 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2033, nxpk= 0, iat=1487,1495, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  83 GLN  HG3    83 GLN  HE22    3.85             (#peak 2056 #SUP 1.00)
 &rst
  ixpk= 2056, nxpk= 0, iat=1305,1309, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  83 GLN  HB2    83 GLN  HE22    4.23             (#peak 2057 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2057, nxpk= 0, iat=1301,1309, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  83 GLN  HB3    83 GLN  HE22    4.48             (#peak 2058 #SUP 0.75 #QF 0.75)
 &rst
  ixpk= 2058, nxpk= 0, iat=1302,1309, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  79 ALA  QB     83 GLN  HE22    3.38             (#peak 2060 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2060, nxpk= 0, iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr1=1243,1244,1245,
 &end
#
#  80 ALA  QB     83 GLN  HE21    4.43             (#peak 2064 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 2064, nxpk= 0, iat=  -1,1310, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1=1253,1254,1255,
 &end
#
#  79 ALA  QB     83 GLN  HE21    3.47             (#peak 2065 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2065, nxpk= 0, iat=  -1,1310, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1=1243,1244,1245,
 &end
#
#  79 ALA  HA     83 GLN  HE21    4.10             (#peak 2067 #SUP 1.00)
 &rst
  ixpk= 2067, nxpk= 0, iat=1241,1310, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  90 ARG  HA     94 ASN  HD21    3.71             (#peak 2069 #SUP 0.36 #QF 0.36)
 &rst
  ixpk= 2069, nxpk= 0, iat=1403,1495, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  79 ALA  H      83 GLN  HE21    4.85             (#peak 2073 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2073, nxpk= 0, iat=1239,1310, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  90 ARG  H      94 ASN  HD21    5.32             (#peak 2076 #SUP 0.64 #QF 0.32)
 &rst
  ixpk= 2076, nxpk= 0, iat=1401,1495, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#  80 ALA  H      83 GLN  HE22    4.58             (#peak 2077 #SUP 0.59 #QF 0.59)
 &rst
  ixpk= 2077, nxpk= 0, iat=1249,1309, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  83 GLN  H      83 GLN  HE22    5.41             (#peak 2078 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 2078, nxpk= 0, iat=1297,1309, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  62 PHE  HZ     83 GLN  HE21    4.00             (#peak 2079 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 2079, nxpk= 0, iat= 947,1310, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  62 PHE  HZ     83 GLN  HE22    4.43             (#peak 2082 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 2082, nxpk= 0, iat= 947,1309, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  32 SER  HA     33 ASP  H       2.84             (#peak 2085 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 2085, nxpk= 0, iat= 482, 491, r1= 1.30, r2= 1.80, r3= 2.84, r4= 3.34,  &end
#
#  33 ASP  H      34 TYR  HB3     4.74             (#peak 2088 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 2088, nxpk= 0, iat= 491, 508, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  32 SER  HB2    33 ASP  H       3.83             (#peak 2089 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2089, nxpk= 0, iat= 484, 491, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  32 SER  HB3    33 ASP  H       3.83             (#peak 2090 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2090, nxpk= 0, iat= 485, 491, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  33 ASP  H      33 ASP  HB3     3.89             (#peak 2091 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 2091, nxpk= 0, iat= 491, 496, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  33 ASP  H      33 ASP  HB2     3.89             (#peak 2092 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 2092, nxpk= 0, iat= 491, 495, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#  33 ASP  H      93 ILE  QD1     4.43             (#peak 2093 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 2093, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1479,1480,1481,
 &end
#
#  32 SER  H      33 ASP  H       4.56             (#peak 2094 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 2094, nxpk= 0, iat= 480, 491, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  33 ASP  H      34 TYR  H       3.31             (#peak 2096 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2096, nxpk= 0, iat= 491, 503, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
# 100 THR  HA    102 ASP  H       4.46             (#peak 2100 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 2100, nxpk= 0, iat=1577,1596, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  87 ALA  H      88 LEU  H       3.17             (#peak 2104 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2104, nxpk= 0, iat=1358,1368, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
#  87 ALA  H      89 ASN  H       4                (#peak 2107 #SUP 0.55 #QF 0.55)
 &rst
  ixpk= 2107, nxpk= 0, iat=1358,1387, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  73 PHE  H      76 THR  H       5.48             (#peak 2111 #SUP 0.93 #QF 0.73)
 &rst
  ixpk= 2111, nxpk= 0, iat=1136,1193, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#  18 ILE  H      68 PRO  HB3     4.38             (#peak 2117 #SUP 0.28 #QF 0.28)
 &rst
  ixpk= 2117, nxpk= 0, iat= 246,1053, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  18 ILE  H      21 ASP  H       5.50             (#peak 2120 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2120, nxpk= 0, iat= 246, 289, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  64 THR  QG2    66 LEU  H       4.58             (#peak 2121 #SUP 1.00 #QF 0.44)
 &rst
  ixpk= 2121, nxpk= 0, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 978, 979, 980,
 &end
#
#  65 PHE  HB3    66 LEU  H       4.56             (#peak 2122 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2122, nxpk= 0, iat= 991,1006, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  65 PHE  HB2    66 LEU  H       4.56             (#peak 2123 #SUP 1.00)
 &rst
  ixpk= 2123, nxpk= 0, iat= 990,1006, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#  66 LEU  H      67 PHE  H       4.63             (#peak 2127 #SUP 1.00)
 &rst
  ixpk= 2127, nxpk= 0, iat=1006,1025, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  67 PHE  H      67 PHE  HB3     3.84             (#peak 2132 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2132, nxpk= 0, iat=1025,1030, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  80 ALA  H      83 GLN  H       4.96             (#peak 2135 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2135, nxpk= 0, iat=1249,1297, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  80 ALA  H      80 ALA  QB      2.77             (#peak 2137 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2137, nxpk= 0, iat=1249,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr2=1253,1254,1255,
 &end
#
#  80 ALA  H      81 LEU  HG      4.05             (#peak 2138 #SUP 0.56 #QF 0.56)
 &rst
  ixpk= 2138, nxpk= 0, iat=1249,1266, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  79 ALA  QB     80 ALA  H       2.87             (#peak 2139 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2139, nxpk= 0, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr1=1243,1244,1245,
 &end
#
#  80 ALA  H      81 LEU  H       3.27             (#peak 2143 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 2143, nxpk= 0, iat=1249,1259, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
#   4 VAL  H       6 VAL  HB      4.83             (#peak 2159 #SUP 0.42 #QF 0.42)
 &rst
  ixpk= 2159, nxpk= 0, iat=  45,  80, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,  &end
#
#  88 LEU  H      91 ARG  HD3     4.98             (#peak 2164 #SUP 0.61 #QF 0.61)
 &rst
  ixpk= 2164, nxpk= 0, iat=1368,1436, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  80 ALA  HA     84 THR  H       4.00             (#peak 2168 #SUP 0.30 #QF 0.30)
 &rst
  ixpk= 2168, nxpk= 0, iat=1251,1314, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 108 PHE  H     108 PHE  HB2     3.94             (#peak 2170 #SUP 0.99 #QF 0.98)
 &rst
  ixpk= 2170, nxpk= 0, iat=1681,1685, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
# 106 ASP  HA    108 PHE  H       4.24             (#peak 2171 #SUP 0.65 #QF 0.65)
 &rst
  ixpk= 2171, nxpk= 0, iat=1656,1681, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#  22 PHE  QE     80 ALA  H       5.11             (#peak 2174 #SUP 0.95 #QF 0.56)
 &rst
  ixpk= 2174, nxpk= 0, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 311, 315,
 &end
#
#  22 PHE  HZ     80 ALA  H       5.50             (#peak 2174 #SUP 0.95 #QF 0.56)
 &rst
  ixpk= 2174, nxpk= 0, iat= 313,1249, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  78 VAL  H      80 ALA  H       4.43             (#peak 2177 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2177, nxpk= 0, iat=1223,1249, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#  67 PHE  HB3    70 LYS  H       4.10             (#peak 2181 #SUP 0.67 #QF 0.67)
 &rst
  ixpk= 2181, nxpk= 0, iat=1030,1078, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#  68 PRO  QD     70 LYS  H       4.51             (#peak 2186 #SUP 0.67 #QF 0.67)
 &rst
  ixpk= 2186, nxpk= 0, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1=1046,1047,
 &end
#
#  68 PRO  HA     70 LYS  H       4.55             (#peak 2187 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 2187, nxpk= 0, iat=1055,1078, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
# 104 ALA  H     105 HIS  H       3.59             (#peak 2190 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 2190, nxpk= 0, iat=1627,1637, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  23 TYR  HB3    24 ARG  H       3.76             (#peak 2191 #SUP 0.58 #QF 0.58)
 &rst
  ixpk= 2191, nxpk= 0, iat= 326, 342, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#  58 GLN  H      58 GLN  HG3     3.55             (#peak 2192 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2192, nxpk= 0, iat= 871, 879, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  58 GLN  H      58 GLN  HG2     3.55             (#peak 2193 #SUP 0.96 #QF 0.86)
 &rst
  ixpk= 2193, nxpk= 0, iat= 871, 878, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  92 GLN  HG3    92 GLN  HE22    3.65             (#peak 2195 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 2195, nxpk= 0, iat=1457,1461, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
# 103 LEU  HB2   104 ALA  H       4.19             (#peak 2198 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 2198, nxpk= 0, iat=1612,1627, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  57 ASN  HD21   59 ASP  H       5.44             (#peak 2201 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2201, nxpk= 0, iat= 867, 888, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#  42 GLU  H      42 GLU  HB3     3.60             (#peak 2203 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2203, nxpk= 0, iat= 625, 630, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#  15 VAL  H      42 GLU  H       4.34             (#peak 2205 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 2205, nxpk= 0, iat= 208, 625, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  41 ASN  H      42 GLU  H       4.47             (#peak 2206 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2206, nxpk= 0, iat= 611, 625, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#   6 VAL  H       7 PRO  HD2     4.13             (#peak 2210 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2210, nxpk= 0, iat=  76,  93, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   6 VAL  H       7 PRO  HD3     3.95             (#peak 2211 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2211, nxpk= 0, iat=  76,  94, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#  66 LEU  HB2    67 PHE  H       4.48             (#peak 2215 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2215, nxpk= 0, iat=1010,1025, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  66 LEU  HB3    67 PHE  H       3.91             (#peak 2216 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2216, nxpk= 0, iat=1011,1025, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  67 PHE  H      67 PHE  QD      3.78             (#peak 2217 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2217, nxpk= 0, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1033,1041,
 &end
#
#   4 VAL  H       6 VAL  H       5.00             (#peak 2219 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2219, nxpk= 0, iat=  45,  76, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  29 LYS  H      29 LYS  QD      3.85             (#peak 2221 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2221, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr2= 429, 430,
 &end
#
#  30 TRP  HB3    30 TRP  HD1     3.83             (#peak 27 #SUP 1.00)
 &rst
  ixpk= 27, nxpk= 0, iat= 446, 449, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  30 TRP  HB2    31 GLU  H       4.60             (#peak 29 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 29, nxpk= 0, iat= 445, 465, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  27 SER  HA     30 TRP  HB2     4.29             (#peak 31 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 31, nxpk= 0, iat= 398, 445, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  26 PHE  QD     30 TRP  HB3     5.43             (#peak 33 #SUP 1.00 #QF 0.98)
 &rst
  ixpk= 33, nxpk= 0, iat=  -1, 446, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 384, 392,
 &end
#
#  26 PHE  QE     30 TRP  HB3     5.50             (#peak 33 #SUP 1.00 #QF 0.98)
 &rst
  ixpk= 33, nxpk= 0, iat=  -1, 446, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 386, 390,
 &end
#
#  27 SER  HA     30 TRP  HB3     4.29             (#peak 35 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 35, nxpk= 0, iat= 398, 446, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#  26 PHE  QD     30 TRP  HB2     5.43             (#peak 44 #SUP 0.99 #QF 0.93)
 &rst
  ixpk= 44, nxpk= 0, iat=  -1, 445, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 384, 392,
 &end
#
#  26 PHE  QE     30 TRP  HB2     5.50             (#peak 44 #SUP 0.99 #QF 0.93)
 &rst
  ixpk= 44, nxpk= 0, iat=  -1, 445, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 386, 390,
 &end
#
#  30 TRP  HB2    30 TRP  HD1     3.83             (#peak 54 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 54, nxpk= 0, iat= 445, 449, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#  30 TRP  HE1    38 LEU  QD2     4.51             (#peak 59 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 59, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 572, 573, 574,
 &end
#
#  30 TRP  HE1    38 LEU  QD1     4.51             (#peak 60 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 60, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 568, 569, 570,
 &end
#
#  13 HIS  HB3    41 ASN  HA      4.01             (#peak 76 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 76, nxpk= 0, iat= 182, 613, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  13 HIS  HB2    41 ASN  HA      3.84             (#peak 77 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 77, nxpk= 0, iat= 181, 613, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,  &end
#
#  13 HIS  HB2    41 ASN  HB3     4.67             (#peak 85 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 85, nxpk= 0, iat= 181, 616, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  13 HIS  HB3    41 ASN  HB3     4.84             (#peak 86 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 86, nxpk= 0, iat= 182, 616, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#  11 THR  QG2    13 HIS  HB3     4.55             (#peak 87 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 87, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 157, 158, 159,
 &end
#
#  11 THR  QG2    13 HIS  HB2     3.62             (#peak 88 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 88, nxpk= 0, iat=  -1, 181, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1= 157, 158, 159,
 &end
#
#  13 HIS  HB2    42 GLU  H       5.02             (#peak 91 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 91, nxpk= 0, iat= 181, 625, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
# 108 PHE  H     108 PHE  HB3     3.94             (#peak 96 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 96, nxpk= 0, iat=1681,1686, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#  25 ALA  H      26 PHE  HB2     5.50             (#peak 124 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 124, nxpk= 0, iat= 366, 380, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  73 PHE  HB2    74 GLU  H       4.05             (#peak 140 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 140, nxpk= 0, iat=1140,1156, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  14 THR  H      23 TYR  HB2     5.23             (#peak 150 #SUP 1.00 #QF 0.86)
 &rst
  ixpk= 150, nxpk= 0, iat= 194, 325, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#  20 HIS  HA     23 TYR  HB2     4.55             (#peak 158 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 158, nxpk= 0, iat= 274, 325, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  20 HIS  HA     23 TYR  HB3     4.64             (#peak 159 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 159, nxpk= 0, iat= 274, 326, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  20 HIS  HB2    21 ASP  H       4.39             (#peak 162 #SUP 1.00)
 &rst
  ixpk= 162, nxpk= 0, iat= 276, 289, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  17 SER  HA     20 HIS  HB2     4.80             (#peak 168 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 168, nxpk= 0, iat= 237, 276, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  17 SER  HA     20 HIS  HB3     4.36             (#peak 169 #SUP 0.58 #QF 0.58)
 &rst
  ixpk= 169, nxpk= 0, iat= 237, 277, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#   8 GLY  HA2     9 LEU  HA      4.72             (#peak 191 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 191, nxpk= 0, iat= 108, 115, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#   7 PRO  HA      8 GLY  HA3     5.21             (#peak 192 #SUP 0.97 #QF 0.57)
 &rst
  ixpk= 192, nxpk= 0, iat= 102, 109, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#   8 GLY  HA3     9 LEU  HA      5.50             (#peak 192 #SUP 0.97 #QF 0.57)
 &rst
  ixpk= 192, nxpk= 0, iat= 109, 115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   8 GLY  HA2     9 LEU  QB      5.14             (#peak 193 #SUP 1.00)
 &rst
  ixpk= 193, nxpk= 0, iat= 108,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr2= 117, 118,
 &end
#
#   8 GLY  HA3     9 LEU  QB      5.37             (#peak 194 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 194, nxpk= 0, iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2= 117, 118,
 &end
#
#  19 GLY  HA2    20 HIS  HA      5.15             (#peak 197 #SUP 0.55 #QF 0.55)
 &rst
  ixpk= 197, nxpk= 0, iat= 267, 274, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  18 ILE  HG13   19 GLY  HA3     5.19             (#peak 199 #SUP 1.00 #QF 0.99)
 &rst
  ixpk= 199, nxpk= 0, iat= 257, 268, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#  19 GLY  HA3    22 PHE  HB2     4.85             (#peak 204 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 204, nxpk= 0, iat= 268, 305, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#  14 THR  HB     19 GLY  HA2     4.94             (#peak 205 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 205, nxpk= 0, iat= 198, 267, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  14 THR  HB     19 GLY  HA3     4.22             (#peak 206 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 206, nxpk= 0, iat= 198, 268, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  49 GLY  HA3    65 PHE  QE      4.81             (#peak 216 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 216, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 996,1000,
 &end
#
#  49 GLY  HA3    67 PHE  HA      4.36             (#peak 217 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 217, nxpk= 0, iat= 736,1027, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  49 GLY  HA3    68 PRO  HB3     5.25             (#peak 218 #SUP 1.00 #QF 0.96)
 &rst
  ixpk= 218, nxpk= 0, iat= 736,1053, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#  36 GLY  HA2    56 VAL  QQG     5.00             (#peak 219 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 219, nxpk= 0, iat= 540, 844, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
#  49 GLY  HA3    68 PRO  QD      4.17             (#peak 221 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 221, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1046,1047,
 &end
#
#  49 GLY  HA2    67 PHE  HA      5.46             (#peak 225 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 225, nxpk= 0, iat= 735,1027, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#   4 VAL  QQG     5 GLU  HG2     5.50             (#peak 261 #SUP 0.90 #QF 0.62)
 &rst
  ixpk= 261, nxpk= 0, iat=  48,  68, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#   4 VAL  QQG     5 GLU  HG3     5.50             (#peak 262 #SUP 0.98 #QF 0.94)
 &rst
  ixpk= 262, nxpk= 0, iat=  48,  69, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  26 PHE  HZ     81 LEU  HA      4.11             (#peak 280 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 280, nxpk= 0, iat= 388,1261, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  55 THR  HA     55 THR  QG2     3.86             (#peak 285 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 285, nxpk= 0, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 833, 834, 835,
 &end
#
#  55 THR  HA     56 VAL  QQG     4.62             (#peak 287 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 287, nxpk= 0, iat= 829, 844, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,  &end
#
#  55 THR  HA     61 ILE  HG12    4.78             (#peak 288 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 288, nxpk= 0, iat= 829, 926, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  81 LEU  HA     81 LEU  HG      4.16             (#peak 291 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 291, nxpk= 0, iat=1261,1266, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  81 LEU  HA     84 THR  QG2     4.70             (#peak 293 #SUP 0.72 #QF 0.72)
 &rst
  ixpk= 293, nxpk= 0, iat=1261,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1320,1321,1322,
 &end
#
#  24 ARG  HA     24 ARG  QD      4.55             (#peak 299 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 299, nxpk= 0, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 352, 353,
 &end
#
#  23 TYR  HB3    24 ARG  HA      4.58             (#peak 300 #SUP 0.76 #QF 0.76)
 &rst
  ixpk= 300, nxpk= 0, iat= 326, 344, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  24 ARG  HA     26 PHE  H       5.07             (#peak 305 #SUP 0.99 #QF 0.52)
 &rst
  ixpk= 305, nxpk= 0, iat= 344, 376, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  55 THR  HB     58 GLN  HA      4.53             (#peak 313 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 313, nxpk= 0, iat= 831, 873, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  55 THR  HB     58 GLN  H       5.50             (#peak 317 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 317, nxpk= 0, iat= 831, 871, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  53 THR  HB     55 THR  QG2     4.19             (#peak 320 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 320, nxpk= 0, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 833, 834, 835,
 &end
#
#  11 THR  HB     39 THR  HA      4.55             (#peak 338 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 338, nxpk= 0, iat= 155, 580, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#  37 ASN  HB3    38 LEU  H       4.64             (#peak 358 #SUP 1.00)
 &rst
  ixpk= 358, nxpk= 0, iat= 550, 559, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#  37 ASN  H      37 ASN  HB3     3.71             (#peak 360 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 360, nxpk= 0, iat= 545, 550, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#  37 ASN  HB2    56 VAL  HA      5.39             (#peak 363 #SUP 0.66 #QF 0.66)
 &rst
  ixpk= 363, nxpk= 0, iat= 549, 843, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  37 ASN  HB3    56 VAL  HA      5.39             (#peak 364 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 364, nxpk= 0, iat= 550, 843, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#  38 LEU  H      38 LEU  HB2     4.17             (#peak 372 #SUP 1.00)
 &rst
  ixpk= 372, nxpk= 0, iat= 559, 563, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  38 LEU  HB3    56 VAL  QQG     4.45             (#peak 377 #SUP 0.99 #QF 0.98)
 &rst
  ixpk= 377, nxpk= 0, iat= 564, 844, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,  &end
#
#  38 LEU  HB2    56 VAL  QQG     4.77             (#peak 378 #SUP 1.00 #QF 0.97)
 &rst
  ixpk= 378, nxpk= 0, iat= 563, 844, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,  &end
#
#  38 LEU  HB2    61 ILE  QD1     4.16             (#peak 382 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 382, nxpk= 0, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 929, 930, 931,
 &end
#
#  38 LEU  HB2    54 ILE  QD1     3.41             (#peak 383 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 383, nxpk= 0, iat= 563,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 821, 822, 823,
 &end
#
#  38 LEU  HB3    54 ILE  QD1     3.40             (#peak 384 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 384, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 821, 822, 823,
 &end
#
#  38 LEU  HB2    39 THR  HA      5.01             (#peak 390 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 390, nxpk= 0, iat= 563, 580, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  38 LEU  HB2    54 ILE  HA      5.50             (#peak 392 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 392, nxpk= 0, iat= 563, 810, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  34 TYR  QE     38 LEU  HB3     4.53             (#peak 393 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 393, nxpk= 0, iat=  -1, 564, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 513, 518,
 &end
#
#  38 LEU  HB2    57 ASN  H       4.94             (#peak 397 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 397, nxpk= 0, iat= 563, 857, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  38 LEU  HB3    57 ASN  H       4.96             (#peak 398 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 398, nxpk= 0, iat= 564, 857, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  23 TYR  QD     40 ILE  HB      3.80             (#peak 400 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 400, nxpk= 0, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 329, 338,
 &end
#
#  39 THR  HA     40 ILE  HB      4.80             (#peak 401 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 401, nxpk= 0, iat= 580, 596, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  12 ASP  HA     40 ILE  HB      4.46             (#peak 404 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 404, nxpk= 0, iat= 167, 596, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#  23 TYR  HA     40 ILE  HB      4.94             (#peak 410 #SUP 1.00)
 &rst
  ixpk= 410, nxpk= 0, iat= 323, 596, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  23 TYR  QD     40 ILE  QG2     3.76             (#peak 413 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 413, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 329, 338,
 igr2= 598, 599, 600,
 &end
#
#  22 PHE  QD     40 ILE  QG2     3.27             (#peak 414 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 414, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 309, 317,
 igr2= 598, 599, 600,
 &end
#
#  22 PHE  QE     40 ILE  QG2     3.50             (#peak 415 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 415, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 311, 315,
 igr2= 598, 599, 600,
 &end
#
#  13 HIS  H      40 ILE  QG2     4.79             (#peak 419 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 419, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 598, 599, 600,
 &end
#
#  40 ILE  HA     40 ILE  QG2     3.36             (#peak 422 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 422, nxpk= 0, iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 598, 599, 600,
 &end
#
#  14 THR  HB     40 ILE  QG2     4.26             (#peak 423 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 423, nxpk= 0, iat= 198,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 598, 599, 600,
 &end
#
#  23 TYR  HA     40 ILE  QG2     4.06             (#peak 424 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 424, nxpk= 0, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 598, 599, 600,
 &end
#
#  22 PHE  HB2    40 ILE  QG2     4.78             (#peak 425 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 425, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 598, 599, 600,
 &end
#
#  23 TYR  HB2    40 ILE  QG2     4.20             (#peak 426 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 426, nxpk= 0, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 598, 599, 600,
 &end
#
#  40 ILE  QG2    40 ILE  QG1     3.28             (#peak 428 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 428, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 598, 599, 600,
 igr2= 602, 603,
 &end
#
#  23 TYR  QD     40 ILE  QD1     3.22             (#peak 434 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 434, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 329, 338,
 igr2= 605, 606, 607,
 &end
#
#  22 PHE  QD     40 ILE  QD1     3.46             (#peak 435 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 435, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 309, 317,
 igr2= 605, 606, 607,
 &end
#
#  22 PHE  QE     40 ILE  QD1     3.37             (#peak 436 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 436, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 311, 315,
 igr2= 605, 606, 607,
 &end
#
#  40 ILE  H      40 ILE  QD1     3.94             (#peak 437 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 437, nxpk= 0, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 605, 606, 607,
 &end
#
#  27 SER  H      40 ILE  QD1     3.91             (#peak 438 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 438, nxpk= 0, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 605, 606, 607,
 &end
#
#  13 HIS  H      40 ILE  QD1     5.37             (#peak 439 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 439, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2= 605, 606, 607,
 &end
#
#  23 TYR  H      40 ILE  QD1     4.33             (#peak 440 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 440, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 605, 606, 607,
 &end
#
#  26 PHE  QD     40 ILE  QD1     3.53             (#peak 443 #SUP 0.99 #QF 0.96)
 &rst
  ixpk= 443, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 384, 392,
 igr2= 605, 606, 607,
 &end
#
#  10 LEU  HA     40 ILE  QD1     5.01             (#peak 444 #SUP 0.69 #QF 0.69)
 &rst
  ixpk= 444, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 605, 606, 607,
 &end
#
#  40 ILE  HA     40 ILE  QD1     3.94             (#peak 445 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 445, nxpk= 0, iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 605, 606, 607,
 &end
#
#  22 PHE  HA     40 ILE  QD1     5.41             (#peak 447 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 447, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr2= 605, 606, 607,
 &end
#
#  23 TYR  HA     40 ILE  QD1     3.35             (#peak 448 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 448, nxpk= 0, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 605, 606, 607,
 &end
#
#  23 TYR  HB3    40 ILE  QD1     4.46             (#peak 449 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 449, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 605, 606, 607,
 &end
#
#  23 TYR  HB2    40 ILE  QD1     4.13             (#peak 450 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 450, nxpk= 0, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 605, 606, 607,
 &end
#
#  40 ILE  HB     40 ILE  QD1     3.34             (#peak 453 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 453, nxpk= 0, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 605, 606, 607,
 &end
#
#  40 ILE  QG2    40 ILE  QD1     2.95             (#peak 457 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 457, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr1= 598, 599, 600,
 igr2= 605, 606, 607,
 &end
#
#  52 ILE  HB     52 ILE  QD1     3.39             (#peak 462 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 462, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 788, 789, 790,
 &end
#
#  42 GLU  HB3    52 ILE  QD1     3.90             (#peak 463 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 463, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 788, 789, 790,
 &end
#
#  42 GLU  HB2    52 ILE  QD1     3.89             (#peak 464 #SUP 1.00)
 &rst
  ixpk= 464, nxpk= 0, iat= 629,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 788, 789, 790,
 &end
#
#  42 GLU  HG3    52 ILE  QD1     4.52             (#peak 465 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 465, nxpk= 0, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 788, 789, 790,
 &end
#
#  19 GLY  HA3    52 ILE  QD1     3.85             (#peak 468 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 468, nxpk= 0, iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 788, 789, 790,
 &end
#
#  22 PHE  HB3    52 ILE  QD1     4.07             (#peak 469 #SUP 0.99 #QF 0.87)
 &rst
  ixpk= 469, nxpk= 0, iat= 306,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2= 788, 789, 790,
 &end
#
#  19 GLY  HA2    52 ILE  QD1     4.03             (#peak 470 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 470, nxpk= 0, iat= 267,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 788, 789, 790,
 &end
#
#  52 ILE  QD1    66 LEU  HA      5.50             (#peak 471 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 471, nxpk= 0, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 788, 789, 790,
 &end
#
#  51 TRP  HA     52 ILE  QD1     4.51             (#peak 472 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 472, nxpk= 0, iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 788, 789, 790,
 &end
#
#  52 ILE  HA     52 ILE  QD1     3.33             (#peak 473 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 473, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 788, 789, 790,
 &end
#
#  42 GLU  HA     52 ILE  QD1     3.81             (#peak 474 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 474, nxpk= 0, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 788, 789, 790,
 &end
#
#  22 PHE  QD     52 ILE  QD1     4.07             (#peak 475 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 475, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 309, 317,
 igr2= 788, 789, 790,
 &end
#
#  22 PHE  QE     52 ILE  QD1     4.66             (#peak 476 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 476, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 311, 315,
 igr2= 788, 789, 790,
 &end
#
#  52 ILE  QD1    53 THR  H       3.78             (#peak 477 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 477, nxpk= 0, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr1= 788, 789, 790,
 &end
#
#  51 TRP  H      52 ILE  QD1     4.56             (#peak 478 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 478, nxpk= 0, iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 788, 789, 790,
 &end
#
#  52 ILE  H      52 ILE  QD1     4.15             (#peak 482 #SUP 0.67 #QF 0.67)
 &rst
  ixpk= 482, nxpk= 0, iat= 775,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 788, 789, 790,
 &end
#
#  25 ALA  QB     77 VAL  QG1     2.83             (#peak 489 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 489, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 370, 371, 372,
 igr2=1213,1214,1215,
 &end
#
#  22 PHE  HA     77 VAL  QG1     4.17             (#peak 491 #SUP 0.60 #QF 0.60)
 &rst
  ixpk= 491, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1213,1214,1215,
 &end
#
#  73 PHE  QE     77 VAL  QG1     4.36             (#peak 495 #SUP 0.93 #QF 0.62)
 &rst
  ixpk= 495, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1146,1150,
 igr2=1213,1214,1215,
 &end
#
#  30 TRP  H      81 LEU  QD2     3.71             (#peak 502 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 502, nxpk= 0, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2=1272,1273,1274,
 &end
#
#  31 GLU  H      81 LEU  QD2     4.03             (#peak 503 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 503, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1272,1273,1274,
 &end
#
#  30 TRP  HZ3    81 LEU  QD2     3.75             (#peak 505 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 505, nxpk= 0, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2=1272,1273,1274,
 &end
#
#  26 PHE  QD     81 LEU  QD2     4.11             (#peak 507 #SUP 0.99 #QF 0.96)
 &rst
  ixpk= 507, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 384, 392,
 igr2=1272,1273,1274,
 &end
#
#  26 PHE  QE     81 LEU  QD2     4.60             (#peak 507 #SUP 0.99 #QF 0.96)
 &rst
  ixpk= 507, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 386, 390,
 igr2=1272,1273,1274,
 &end
#
#  26 PHE  HZ     81 LEU  QD2     4.09             (#peak 508 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 508, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2=1272,1273,1274,
 &end
#
#  30 TRP  HA     81 LEU  QD2     3.21             (#peak 511 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 511, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2=1272,1273,1274,
 &end
#
#  29 LYS  HA     81 LEU  QD2     4.69             (#peak 513 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 513, nxpk= 0, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1272,1273,1274,
 &end
#
#  81 LEU  HA     81 LEU  QD2     3.07             (#peak 514 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 514, nxpk= 0, iat=1261,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2=1272,1273,1274,
 &end
#
#  26 PHE  HA     81 LEU  QD2     3.38             (#peak 515 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 515, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=1272,1273,1274,
 &end
#
#  29 LYS  QE     81 LEU  QD2     5.27             (#peak 516 #SUP 1.00 #QF 0.34)
 &rst
  ixpk= 516, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,
 igr1= 432, 433,
 igr2=1272,1273,1274,
 &end
#
#  18 ILE  H      18 ILE  HB      3.56             (#peak 524 #SUP 1.00)
 &rst
  ixpk= 524, nxpk= 0, iat= 246, 250, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#  18 ILE  HB     19 GLY  H       3.97             (#peak 525 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 525, nxpk= 0, iat= 250, 265, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  18 ILE  HB     73 PHE  QD      4.88             (#peak 526 #SUP 0.96 #QF 0.81)
 &rst
  ixpk= 526, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2=1144,1152,
 &end
#
#  76 THR  H      79 ALA  QB      5.19             (#peak 542 #SUP 0.99 #QF 0.76)
 &rst
  ixpk= 542, nxpk= 0, iat=1193,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr2=1243,1244,1245,
 &end
#
#  79 ALA  QB     82 ILE  H       5.50             (#peak 542 #SUP 0.99 #QF 0.76)
 &rst
  ixpk= 542, nxpk= 0, iat=  -1,1278, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1243,1244,1245,
 &end
#
#  62 PHE  HZ     79 ALA  QB      4.60             (#peak 547 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 547, nxpk= 0, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1243,1244,1245,
 &end
#
#  78 VAL  HA     79 ALA  QB      5.06             (#peak 548 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 548, nxpk= 0, iat=1225,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=1243,1244,1245,
 &end
#
#  79 ALA  QB     80 ALA  HA      4.06             (#peak 549 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 549, nxpk= 0, iat=  -1,1251, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1=1243,1244,1245,
 &end
#
#  79 ALA  QB     83 GLN  HG2     5.5              (#peak 550 #SUP 1.00)
 &rst
  ixpk= 550, nxpk= 0, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1243,1244,1245,
 &end
#
#  78 VAL  HB     79 ALA  QB      4.65             (#peak 552 #SUP 0.92 #QF 0.65)
 &rst
  ixpk= 552, nxpk= 0, iat=1227,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2=1243,1244,1245,
 &end
#
#  79 ALA  QB     83 GLN  HB2     4.91             (#peak 552 #SUP 0.92 #QF 0.65)
 &rst
  ixpk= 552, nxpk= 0, iat=  -1,1301, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1=1243,1244,1245,
 &end
#
#  78 VAL  QG2    79 ALA  QB      4.99             (#peak 553 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 553, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=1233,1234,1235,
 igr2=1243,1244,1245,
 &end
#
#  79 ALA  QB     82 ILE  QD1     4.77             (#peak 554 #SUP 0.47 #QF 0.47)
 &rst
  ixpk= 554, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr1=1243,1244,1245,
 igr2=1291,1292,1293,
 &end
#
#  79 ALA  QB     81 LEU  H       4.45             (#peak 560 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 560, nxpk= 0, iat=  -1,1259, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1243,1244,1245,
 &end
#
#  79 ALA  QB     83 GLN  H       4.50             (#peak 561 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 561, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1243,1244,1245,
 &end
#
#  77 VAL  HA     79 ALA  QB      5.49             (#peak 565 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 565, nxpk= 0, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2=1243,1244,1245,
 &end
#
#  79 ALA  QB     80 ALA  QB      4.59             (#peak 567 #SUP 0.97 #QF 0.76)
 &rst
  ixpk= 567, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1=1243,1244,1245,
 igr2=1253,1254,1255,
 &end
#
#  79 ALA  HA     80 ALA  HA      4.86             (#peak 573 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 573, nxpk= 0, iat=1241,1251, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  87 ALA  HA     91 ARG  HD2     4.96             (#peak 574 #SUP 0.21 #QF 0.21)
 &rst
  ixpk= 574, nxpk= 0, iat=1360,1435, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#  68 PRO  QD     69 LEU  HA      5.50             (#peak 576 #SUP 0.72 #QF 0.72)
 &rst
  ixpk= 576, nxpk= 0, iat=  -1,1061, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1046,1047,
 &end
#
#  68 PRO  HA     69 LEU  HA      4.97             (#peak 577 #SUP 0.75 #QF 0.75)
 &rst
  ixpk= 577, nxpk= 0, iat=1055,1061, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  26 PHE  HZ     40 ILE  QD1     4.54             (#peak 584 #SUP 0.63 #QF 0.63)
 &rst
  ixpk= 584, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr2= 605, 606, 607,
 &end
#
#  23 TYR  QE     40 ILE  QD1     3.76             (#peak 585 #SUP 0.56 #QF 0.56)
 &rst
  ixpk= 585, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 331, 336,
 igr2= 605, 606, 607,
 &end
#
#  39 THR  HA     40 ILE  QD1     4.50             (#peak 590 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 590, nxpk= 0, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 605, 606, 607,
 &end
#
#  12 ASP  HA     40 ILE  QD1     4.90             (#peak 591 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 591, nxpk= 0, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 605, 606, 607,
 &end
#
#  27 SER  HA     40 ILE  QD1     4.64             (#peak 592 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 592, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 605, 606, 607,
 &end
#
#  26 PHE  HB3    40 ILE  QD1     3.81             (#peak 595 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 595, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 605, 606, 607,
 &end
#
#  26 PHE  HB2    40 ILE  QD1     3.77             (#peak 596 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 596, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr2= 605, 606, 607,
 &end
#
#  10 LEU  HB2    40 ILE  QD1     4.97             (#peak 597 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 597, nxpk= 0, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 605, 606, 607,
 &end
#
#  10 LEU  HG     40 ILE  QD1     5                (#peak 598 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 598, nxpk= 0, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 605, 606, 607,
 &end
#
#  14 THR  QG2    40 ILE  QD1     4.01             (#peak 601 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 601, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 200, 201, 202,
 igr2= 605, 606, 607,
 &end
#
#  18 ILE  H      18 ILE  QG2     3.26             (#peak 631 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 631, nxpk= 0, iat= 246,  -1, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr2= 252, 253, 254,
 &end
#
#  18 ILE  QG2    73 PHE  QD      3.45             (#peak 633 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 633, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 252, 253, 254,
 igr2=1144,1152,
 &end
#
#  18 ILE  QG2    73 PHE  HB3     4.26             (#peak 640 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 640, nxpk= 0, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 252, 253, 254,
 &end
#
#  18 ILE  QG2    67 PHE  HA      4.61             (#peak 643 #SUP 0.66 #QF 0.66)
 &rst
  ixpk= 643, nxpk= 0, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1= 252, 253, 254,
 &end
#
#  83 GLN  HA     84 THR  HA      5.31             (#peak 667 #SUP 1.00 #QF 0.95)
 &rst
  ixpk= 667, nxpk= 0, iat=1299,1316, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  84 THR  HA     85 GLU  HA      5.50             (#peak 667 #SUP 1.00 #QF 0.95)
 &rst
  ixpk= 667, nxpk= 0, iat=1316,1330, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  84 THR  HA     86 GLU  H       4.72             (#peak 669 #SUP 0.97 #QF 0.41)
 &rst
  ixpk= 669, nxpk= 0, iat=1316,1343, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  84 THR  HA     87 ALA  QB      3.65             (#peak 670 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 670, nxpk= 0, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1362,1363,1364,
 &end
#
#  62 PHE  HB2    84 THR  HA      4.78             (#peak 671 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 671, nxpk= 0, iat= 939,1316, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  84 THR  HA     84 THR  QG2     3.50             (#peak 672 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 672, nxpk= 0, iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1320,1321,1322,
 &end
#
#  61 ILE  QG2    84 THR  HA      5.24             (#peak 673 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 673, nxpk= 0, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr1= 922, 923, 924,
 &end
#
#  14 THR  HB     52 ILE  QD1     4.43             (#peak 682 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 682, nxpk= 0, iat= 198,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 788, 789, 790,
 &end
#
#  26 PHE  HZ     84 THR  HB      4.72             (#peak 686 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 686, nxpk= 0, iat= 388,1318, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  81 LEU  HA     84 THR  HB      4.86             (#peak 693 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 693, nxpk= 0, iat=1261,1318, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  73 PHE  QD     74 GLU  HA      4.29             (#peak 698 #SUP 1.00)
 &rst
  ixpk= 698, nxpk= 0, iat=  -1,1158, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1=1144,1152,
 &end
#
#  27 SER  HA     30 TRP  HD1     4.71             (#peak 709 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 709, nxpk= 0, iat= 398, 449, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#  26 PHE  QD     27 SER  HA      4.65             (#peak 710 #SUP 1.00)
 &rst
  ixpk= 710, nxpk= 0, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 384, 392,
 &end
#
#  27 SER  H      27 SER  HB3     3.64             (#peak 715 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 715, nxpk= 0, iat= 396, 401, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#  27 SER  HB2    28 ASP  H       4.20             (#peak 723 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 723, nxpk= 0, iat= 400, 407, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  10 LEU  QD2    27 SER  HB3     4.46             (#peak 730 #SUP 1.00)
 &rst
  ixpk= 730, nxpk= 0, iat=  -1, 401, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 145, 146, 147,
 &end
#
#  26 PHE  HA     26 PHE  QD      4.18             (#peak 738 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 738, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr2= 384, 392,
 &end
#
#  26 PHE  HA     27 SER  HA      5.04             (#peak 739 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 739, nxpk= 0, iat= 378, 398, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  25 ALA  QB     26 PHE  HA      3.91             (#peak 743 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 743, nxpk= 0, iat=  -1, 378, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 370, 371, 372,
 &end
#
#  26 PHE  HA     81 LEU  QD1     3.98             (#peak 744 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 744, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2=1268,1269,1270,
 &end
#
#  26 PHE  HA     40 ILE  QD1     5.07             (#peak 747 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 747, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 605, 606, 607,
 &end
#
#  49 GLY  HA2    68 PRO  QD      4.47             (#peak 755 #SUP 0.47 #QF 0.47)
 &rst
  ixpk= 755, nxpk= 0, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1046,1047,
 &end
#
#   7 PRO  HD3    35 THR  HA      5.45             (#peak 756 #SUP 0.86 #QF 0.53)
 &rst
  ixpk= 756, nxpk= 0, iat=  94, 526, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#   6 VAL  QQG     7 PRO  HD2     4.00             (#peak 762 #SUP 0.64 #QF 0.64)
 &rst
  ixpk= 762, nxpk= 0, iat=  79,  93, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#   6 VAL  QQG     7 PRO  HD3     4.00             (#peak 763 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 763, nxpk= 0, iat=  79,  94, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 105 HIS  HB3   106 ASP  H       4.33             (#peak 769 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 769, nxpk= 0, iat=1642,1654, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#  67 PHE  HB2    68 PRO  QD      4.34             (#peak 772 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 772, nxpk= 0, iat=1029,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2=1046,1047,
 &end
#
#  67 PHE  HA     68 PRO  QD      3.51             (#peak 774 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 774, nxpk= 0, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr2=1046,1047,
 &end
#
#  43 ARG  HA     44 PRO  HD2     3.40             (#peak 775 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 775, nxpk= 0, iat= 642, 665, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  43 ARG  HA     44 PRO  HD3     3.50             (#peak 776 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 776, nxpk= 0, iat= 642, 666, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  42 GLU  HG3    44 PRO  HD3     3.96             (#peak 781 #SUP 0.99 #QF 0.52)
 &rst
  ixpk= 781, nxpk= 0, iat= 633, 666, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#  43 ARG  QG     44 PRO  HD2     4.59             (#peak 786 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 786, nxpk= 0, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1= 647, 648,
 &end
#
#  43 ARG  QG     44 PRO  HD3     4.52             (#peak 787 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 787, nxpk= 0, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 647, 648,
 &end
#
#  47 ARG  QB     47 ARG  QD      3.20             (#peak 798 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 798, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 703, 704,
 igr2= 709, 710,
 &end
#
#  88 LEU  HA     91 ARG  HD2     4.15             (#peak 800 #SUP 0.71 #QF 0.71)
 &rst
  ixpk= 800, nxpk= 0, iat=1370,1435, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  45 SER  QB     47 ARG  QD      4.35             (#peak 801 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 801, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 682, 683,
 igr2= 709, 710,
 &end
#
#  56 VAL  QQG    91 ARG  HD2     4.85             (#peak 803 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 803, nxpk= 0, iat= 844,1435, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,  &end
#
#  88 LEU  QD1    91 ARG  HD2     5.00             (#peak 805 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 805, nxpk= 0, iat=  -1,1435, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1377,1378,1379,
 &end
#
#  88 LEU  QD2    91 ARG  HD2     5.00             (#peak 806 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 806, nxpk= 0, iat=  -1,1435, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1381,1382,1383,
 &end
#
#  67 PHE  HB3    68 PRO  QD      3.80             (#peak 816 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 816, nxpk= 0, iat=1030,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr2=1046,1047,
 &end
#
#  67 PHE  HB3    69 LEU  H       4.60             (#peak 818 #SUP 1.00 #QF 0.99)
 &rst
  ixpk= 818, nxpk= 0, iat=1030,1059, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  34 TYR  HB2    88 LEU  HB3     5.50             (#peak 821 #SUP 0.63 #QF 0.63)
 &rst
  ixpk= 821, nxpk= 0, iat= 507,1373, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  22 PHE  HB2    73 PHE  QE      3.92             (#peak 825 #SUP 0.96 #QF 0.61)
 &rst
  ixpk= 825, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1146,1150,
 &end
#
#  67 PHE  QD     68 PRO  QD      4.49             (#peak 826 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 826, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1=1033,1041,
 igr2=1046,1047,
 &end
#
#  77 VAL  H      77 VAL  QG2     3.82             (#peak 830 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 830, nxpk= 0, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=1217,1218,1219,
 &end
#
#  26 PHE  H      77 VAL  QG2     4.03             (#peak 831 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 831, nxpk= 0, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1217,1218,1219,
 &end
#
#  73 PHE  QE     77 VAL  QG2     4.36             (#peak 837 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 837, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1146,1150,
 igr2=1217,1218,1219,
 &end
#
#  22 PHE  HA     77 VAL  QG2     4.17             (#peak 847 #SUP 1.00 #QF 0.98)
 &rst
  ixpk= 847, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1217,1218,1219,
 &end
#
#  74 GLU  HA     77 VAL  QG2     4.29             (#peak 848 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 848, nxpk= 0, iat=1158,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1217,1218,1219,
 &end
#
#  77 VAL  HA     77 VAL  QG2     3.08             (#peak 850 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 850, nxpk= 0, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1217,1218,1219,
 &end
#
#  74 GLU  QG     77 VAL  QG2     4.75             (#peak 854 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 854, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=1163,1164,
 igr2=1217,1218,1219,
 &end
#
#  25 ALA  QB     77 VAL  QG2     2.83             (#peak 857 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 857, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 370, 371, 372,
 igr2=1217,1218,1219,
 &end
#
#  78 VAL  HA     78 VAL  QG2     3.30             (#peak 869 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 869, nxpk= 0, iat=1225,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1233,1234,1235,
 &end
#
#  56 VAL  HA     56 VAL  QQG     2.80             (#peak 875 #SUP 0.60 #QF 0.60)
 &rst
  ixpk= 875, nxpk= 0, iat= 843, 844, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  76 THR  HA     76 THR  QG2     2.91             (#peak 879 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 879, nxpk= 0, iat=1195,  -1, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,
 igr2=1199,1200,1201,
 &end
#
#  64 THR  HB     76 THR  QG2     4.21             (#peak 881 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 881, nxpk= 0, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2=1199,1200,1201,
 &end
#
#  76 THR  QG2    77 VAL  HA      3.95             (#peak 882 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 882, nxpk= 0, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1=1199,1200,1201,
 &end
#
#  52 ILE  HG13   76 THR  QG2     4.25             (#peak 888 #SUP 0.72 #QF 0.72)
 &rst
  ixpk= 888, nxpk= 0, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2=1199,1200,1201,
 &end
#
#  76 THR  QG2    79 ALA  QB      3.97             (#peak 892 #SUP 0.64 #QF 0.64)
 &rst
  ixpk= 892, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1=1199,1200,1201,
 igr2=1243,1244,1245,
 &end
#
#  37 ASN  H      56 VAL  QQG     3.91             (#peak 895 #SUP 0.34 #QF 0.34)
 &rst
  ixpk= 895, nxpk= 0, iat= 545, 844, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,  &end
#
#  38 LEU  HA     56 VAL  QQG     3.52             (#peak 897 #SUP 0.60 #QF 0.60)
 &rst
  ixpk= 897, nxpk= 0, iat= 561, 844, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,  &end
#
#  14 THR  QG2    23 TYR  HB2     3.56             (#peak 901 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 901, nxpk= 0, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr1= 200, 201, 202,
 &end
#
#  14 THR  QG2    23 TYR  HB3     4.30             (#peak 902 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 902, nxpk= 0, iat=  -1, 326, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 200, 201, 202,
 &end
#
#  14 THR  QG2    19 GLY  HA3     5.00             (#peak 903 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 903, nxpk= 0, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 200, 201, 202,
 &end
#
#  14 THR  QG2    40 ILE  HB      3.71             (#peak 904 #SUP 0.85 #QF 0.69)
 &rst
  ixpk= 904, nxpk= 0, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr1= 200, 201, 202,
 &end
#
#  14 THR  QG2    42 GLU  HG3     4.13             (#peak 904 #SUP 0.85 #QF 0.69)
 &rst
  ixpk= 904, nxpk= 0, iat=  -1, 633, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 200, 201, 202,
 &end
#
#  14 THR  QG2    40 ILE  QG2     2.93             (#peak 905 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 905, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 200, 201, 202,
 igr2= 598, 599, 600,
 &end
#
#  14 THR  QG2    52 ILE  QD1     3.36             (#peak 906 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 906, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 200, 201, 202,
 igr2= 788, 789, 790,
 &end
#
#  14 THR  QG2    19 GLY  HA2     5.00             (#peak 907 #SUP 0.68 #QF 0.68)
 &rst
  ixpk= 907, nxpk= 0, iat=  -1, 267, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 200, 201, 202,
 &end
#
# 100 THR  HA    100 THR  QG2     3.45             (#peak 911 #SUP 0.96 #QF 0.80)
 &rst
  ixpk= 911, nxpk= 0, iat=1577,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2=1581,1582,1583,
 &end
#
#  14 THR  HA     14 THR  QG2     3.27             (#peak 912 #SUP 0.59 #QF 0.59)
 &rst
  ixpk= 912, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 200, 201, 202,
 &end
#
#  35 THR  HA     35 THR  QG2     3.80             (#peak 913 #SUP 0.97 #QF 0.81)
 &rst
  ixpk= 913, nxpk= 0, iat= 526,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 530, 531, 532,
 &end
#
#  14 THR  QG2    23 TYR  QD      3.83             (#peak 914 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 914, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 200, 201, 202,
 igr2= 329, 338,
 &end
#
#  14 THR  QG2    42 GLU  H       4.00             (#peak 915 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 915, nxpk= 0, iat=  -1, 625, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 200, 201, 202,
 &end
#
#  13 HIS  H      14 THR  QG2     3.75             (#peak 917 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 917, nxpk= 0, iat= 177,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 200, 201, 202,
 &end
#
#  14 THR  QG2    23 TYR  H       5                (#peak 918 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 918, nxpk= 0, iat=  -1, 321, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 200, 201, 202,
 &end
#
#  14 THR  QG2    52 ILE  HA      4.53             (#peak 921 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 921, nxpk= 0, iat=  -1, 777, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 200, 201, 202,
 &end
#
#  14 THR  QG2    42 GLU  HA      4.44             (#peak 922 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 922, nxpk= 0, iat=  -1, 627, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 200, 201, 202,
 &end
#
#  14 THR  QG2    22 PHE  QD      4.12             (#peak 923 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 923, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr1= 200, 201, 202,
 igr2= 309, 317,
 &end
#
#  14 THR  QG2    22 PHE  HB3     4.23             (#peak 924 #SUP 0.69 #QF 0.69)
 &rst
  ixpk= 924, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 200, 201, 202,
 &end
#
#  14 THR  QG2    23 TYR  HA      4.43             (#peak 925 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 925, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 200, 201, 202,
 &end
#
#  73 PHE  HB2    76 THR  QG2     5.50             (#peak 932 #SUP 0.70 #QF 0.60)
 &rst
  ixpk= 932, nxpk= 0, iat=1140,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1199,1200,1201,
 &end
#
#  22 PHE  HB2    76 THR  QG2     5.50             (#peak 933 #SUP 0.59 #QF 0.59)
 &rst
  ixpk= 933, nxpk= 0, iat= 305,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1199,1200,1201,
 &end
#
#  76 THR  QG2    80 ALA  HA      5.50             (#peak 934 #SUP 0.98 #QF 0.29)
 &rst
  ixpk= 934, nxpk= 0, iat=  -1,1251, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1199,1200,1201,
 &end
#
#  22 PHE  QE     76 THR  QG2     3.12             (#peak 937 #SUP 0.66 #QF 0.66)
 &rst
  ixpk= 937, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1= 311, 315,
 igr2=1199,1200,1201,
 &end
#
#  62 PHE  QE     76 THR  QG2     3.89             (#peak 938 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 938, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 945, 949,
 igr2=1199,1200,1201,
 &end
#
#  62 PHE  HZ     76 THR  QG2     3.85             (#peak 939 #SUP 0.53 #QF 0.53)
 &rst
  ixpk= 939, nxpk= 0, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2=1199,1200,1201,
 &end
#
#  76 THR  QG2    77 VAL  H       3.64             (#peak 942 #SUP 0.61 #QF 0.61)
 &rst
  ixpk= 942, nxpk= 0, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1=1199,1200,1201,
 &end
#
#  76 THR  QG2    80 ALA  H       4.82             (#peak 943 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 943, nxpk= 0, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1=1199,1200,1201,
 &end
#
#  67 PHE  H      76 THR  QG2     4.99             (#peak 946 #SUP 0.62 #QF 0.62)
 &rst
  ixpk= 946, nxpk= 0, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1199,1200,1201,
 &end
#
#  66 LEU  H      76 THR  QG2     5.01             (#peak 947 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 947, nxpk= 0, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2=1199,1200,1201,
 &end
#
#  76 THR  QG2    78 VAL  H       5.50             (#peak 948 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 948, nxpk= 0, iat=  -1,1223, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1199,1200,1201,
 &end
#
#  88 LEU  H      88 LEU  QD2     4.12             (#peak 950 #SUP 1.00)
 &rst
  ixpk= 950, nxpk= 0, iat=1368,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1381,1382,1383,
 &end
#
#  34 TYR  QD     88 LEU  QD2     5.00             (#peak 951 #SUP 0.97 #QF 0.21)
 &rst
  ixpk= 951, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 511, 520,
 igr2=1381,1382,1383,
 &end
#
#  34 TYR  QE     88 LEU  QD2     5.00             (#peak 953 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 953, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 513, 518,
 igr2=1381,1382,1383,
 &end
#
#  90 ARG  H      88 LEU  QD2     5.50             (#peak 955 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 955, nxpk= 0, iat=1401,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1381,1382,1383,
 &end
#
#  85 GLU  HA     88 LEU  QD2     4.61             (#peak 958 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 958, nxpk= 0, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1381,1382,1383,
 &end
#
#  88 LEU  QD2    91 ARG  HD3     4.55             (#peak 962 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 962, nxpk= 0, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=1381,1382,1383,
 &end
#
#  88 LEU  HB3    88 LEU  QD2     3.18             (#peak 967 #SUP 1.00)
 &rst
  ixpk= 967, nxpk= 0, iat=1373,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=1381,1382,1383,
 &end
#
#  88 LEU  HB2    88 LEU  QD2     3.24             (#peak 972 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 972, nxpk= 0, iat=1372,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=1381,1382,1383,
 &end
#
#  56 VAL  QQG    88 LEU  QD2     3.26             (#peak 975 #SUP 0.98 #QF 0.96)
 &rst
  ixpk= 975, nxpk= 0, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=1381,1382,1383,
 &end
#
#  53 THR  QG2    63 GLN  QB      3.07             (#peak 981 #SUP 0.63 #QF 0.63)
 &rst
  ixpk= 981, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr1= 800, 801, 802,
 igr2= 959, 960,
 &end
#
#  78 VAL  QG1    81 LEU  QD1     4.16             (#peak 983 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 983, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1229,1230,1231,
 igr2=1268,1269,1270,
 &end
#
#  75 LYS  HA     78 VAL  QG1     4.66             (#peak 987 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 987, nxpk= 0, iat=1173,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1229,1230,1231,
 &end
#
#  81 LEU  HB2    81 LEU  QD2     3.24             (#peak 991 #SUP 1.00)
 &rst
  ixpk= 991, nxpk= 0, iat=1263,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=1272,1273,1274,
 &end
#
#  81 LEU  HB3    81 LEU  QD2     3.22             (#peak 993 #SUP 1.00 #QF 0.42)
 &rst
  ixpk= 993, nxpk= 0, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1272,1273,1274,
 &end
#
#  53 THR  QG2    63 GLN  HE21    3.86             (#peak 998 #SUP 0.67 #QF 0.67)
 &rst
  ixpk= 998, nxpk= 0, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 800, 801, 802,
 &end
#
#  53 THR  QG2    60 VAL  HA      4.06             (#peak 1000 #SUP 0.80 #QF 0.40)
 &rst
  ixpk= 1000, nxpk= 0, iat=  -1, 902, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 800, 801, 802,
 &end
#
#  53 THR  QG2    62 PHE  H       4.21             (#peak 1007 #SUP 0.53 #QF 0.53)
 &rst
  ixpk= 1007, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 800, 801, 802,
 &end
#
#  53 THR  QG2    54 ILE  H       3.83             (#peak 1008 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1008, nxpk= 0, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 800, 801, 802,
 &end
#
#  53 THR  QG2    64 THR  H       5.33             (#peak 1012 #SUP 0.75 #QF 0.75)
 &rst
  ixpk= 1012, nxpk= 0, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 800, 801, 802,
 &end
#
#  51 TRP  HE3    53 THR  QG2     5.37             (#peak 1014 #SUP 0.82 #QF 0.25)
 &rst
  ixpk= 1014, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2= 800, 801, 802,
 &end
#
#  75 LYS  HA     78 VAL  HB      4.35             (#peak 1024 #SUP 1.00)
 &rst
  ixpk= 1024, nxpk= 0, iat=1173,1227, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  74 GLU  HA     77 VAL  HB      3.62             (#peak 1028 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 1028, nxpk= 0, iat=1158,1211, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#  77 VAL  HB     79 ALA  H       5.50             (#peak 1030 #SUP 0.59 #QF 0.59)
 &rst
  ixpk= 1030, nxpk= 0, iat=1211,1239, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  21 ASP  HB3    73 PHE  QE      4.10             (#peak 1048 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1048, nxpk= 0, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=1146,1150,
 &end
#
#  21 ASP  HB3    73 PHE  HZ      4.16             (#peak 1049 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1049, nxpk= 0, iat= 294,1148, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#  21 ASP  HB2    73 PHE  QE      4.15             (#peak 1050 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 1050, nxpk= 0, iat= 293,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1146,1150,
 &end
#
#  18 ILE  HA     21 ASP  HB2     3.74             (#peak 1054 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1054, nxpk= 0, iat= 248, 293, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  21 ASP  HB3    22 PHE  HA      4.5              (#peak 1055 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1055, nxpk= 0, iat= 294, 303, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 107 GLU  H     107 GLU  HB2     3.59             (#peak 1063 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 1063, nxpk= 0, iat=1666,1670, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  74 GLU  HB2    75 LYS  H       3.65             (#peak 1069 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 1069, nxpk= 0, iat=1160,1171, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#  73 PHE  QD     74 GLU  HB2     4.51             (#peak 1070 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1070, nxpk= 0, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1=1144,1152,
 &end
#
#  73 PHE  QD     74 GLU  HB3     4.83             (#peak 1071 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1071, nxpk= 0, iat=  -1,1161, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1=1144,1152,
 &end
#
#  74 GLU  HB2    74 GLU  QG      2.74             (#peak 1078 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1078, nxpk= 0, iat=1160,  -1, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,
 igr2=1163,1164,
 &end
#
#  74 GLU  HB2    75 LYS  QE      5.17             (#peak 1085 #SUP 0.91 #QF 0.68)
 &rst
  ixpk= 1085, nxpk= 0, iat=1160,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1184,1185,
 &end
#
#  73 PHE  HB3    74 GLU  HB3     5.50             (#peak 1086 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1086, nxpk= 0, iat=1141,1161, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  73 PHE  HB3    74 GLU  HB2     4.48             (#peak 1087 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1087, nxpk= 0, iat=1141,1160, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  18 ILE  HG13   73 PHE  QE      5.50             (#peak 1090 #SUP 1.00)
 &rst
  ixpk= 1090, nxpk= 0, iat= 257,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1146,1150,
 &end
#
#  18 ILE  HA     18 ILE  HG12    3.85             (#peak 1092 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1092, nxpk= 0, iat= 248, 256, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  91 ARG  HA     91 ARG  HG2     3.57             (#peak 1105 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1105, nxpk= 0, iat=1427,1432, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#  91 ARG  H      91 ARG  HG2     4                (#peak 1106 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 1106, nxpk= 0, iat=1425,1432, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  92 GLN  H      92 GLN  HG3     3.74             (#peak 1108 #SUP 0.96 #QF 0.84)
 &rst
  ixpk= 1108, nxpk= 0, iat=1449,1457, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  92 GLN  H      92 GLN  HG2     3.37             (#peak 1109 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 1109, nxpk= 0, iat=1449,1456, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#  95 GLN  HA     95 GLN  HG3     3.51             (#peak 1120 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1120, nxpk= 0, iat=1501,1507, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  95 GLN  HA     95 GLN  HG2     3.51             (#peak 1121 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 1121, nxpk= 0, iat=1501,1506, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  92 GLN  HA     92 GLN  HG2     4.20             (#peak 1122 #SUP 0.93 #QF 0.89)
 &rst
  ixpk= 1122, nxpk= 0, iat=1451,1456, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  92 GLN  QB     92 GLN  HG2     2.78             (#peak 1126 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 1126, nxpk= 0, iat=  -1,1456, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=1453,1454,
 &end
#
#  92 GLN  QB     92 GLN  HG3     2.79             (#peak 1127 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 1127, nxpk= 0, iat=  -1,1457, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
 igr1=1453,1454,
 &end
#
#  29 LYS  QG     81 LEU  QD1     3.44             (#peak 1140 #SUP 0.99 #QF 0.65)
 &rst
  ixpk= 1140, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 426, 427,
 igr2=1268,1269,1270,
 &end
#
#  81 LEU  HB3    81 LEU  QD1     3.65             (#peak 1140 #SUP 0.99 #QF 0.65)
 &rst
  ixpk= 1140, nxpk= 0, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1268,1269,1270,
 &end
#
#  78 VAL  QG2    81 LEU  QD1     4.16             (#peak 1143 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1143, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=1233,1234,1235,
 igr2=1268,1269,1270,
 &end
#
#  29 LYS  HB2    81 LEU  QD1     3.70             (#peak 1144 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1144, nxpk= 0, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2=1268,1269,1270,
 &end
#
#  81 LEU  HB2    81 LEU  QD1     3.21             (#peak 1145 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1145, nxpk= 0, iat=1263,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2=1268,1269,1270,
 &end
#
#  78 VAL  HA     81 LEU  QD1     3.16             (#peak 1146 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1146, nxpk= 0, iat=1225,  -1, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,
 igr2=1268,1269,1270,
 &end
#
#  29 LYS  QE     81 LEU  QD1     4.29             (#peak 1147 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 1147, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 432, 433,
 igr2=1268,1269,1270,
 &end
#
#  81 LEU  HA     81 LEU  QD1     4.10             (#peak 1148 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1148, nxpk= 0, iat=1261,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2=1268,1269,1270,
 &end
#
#  81 LEU  QD1    82 ILE  H       4.44             (#peak 1151 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1151, nxpk= 0, iat=  -1,1278, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1=1268,1269,1270,
 &end
#
#  78 VAL  H      81 LEU  QD1     4.58             (#peak 1152 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1152, nxpk= 0, iat=1223,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr2=1268,1269,1270,
 &end
#
#  30 TRP  H      81 LEU  QD1     4.60             (#peak 1153 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1153, nxpk= 0, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1268,1269,1270,
 &end
#
#  30 TRP  HZ3    81 LEU  QD1     5.50             (#peak 1154 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1154, nxpk= 0, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1268,1269,1270,
 &end
#
#  26 PHE  QD     81 LEU  QD1     5                (#peak 1156 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1156, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 384, 392,
 igr2=1268,1269,1270,
 &end
#
#  29 LYS  HA     81 LEU  QD1     4.29             (#peak 1158 #SUP 0.71 #QF 0.71)
 &rst
  ixpk= 1158, nxpk= 0, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1268,1269,1270,
 &end
#
#  30 TRP  HA     81 LEU  QD1     4.53             (#peak 1159 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 1159, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1268,1269,1270,
 &end
#
#  61 ILE  QG2    88 LEU  HB2     5.50             (#peak 1174 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1174, nxpk= 0, iat=  -1,1372, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 922, 923, 924,
 &end
#
#  56 VAL  QQG    88 LEU  HB2     5.50             (#peak 1175 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1175, nxpk= 0, iat= 844,1372, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  61 ILE  QG2    88 LEU  HB3     5.50             (#peak 1180 #SUP 0.75 #QF 0.75)
 &rst
  ixpk= 1180, nxpk= 0, iat=  -1,1373, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 922, 923, 924,
 &end
#
#  56 VAL  QQG    88 LEU  HB3     5.50             (#peak 1181 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1181, nxpk= 0, iat= 844,1373, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  88 LEU  HB2    91 ARG  HD3     5                (#peak 1185 #SUP 1.00 #QF 0.57)
 &rst
  ixpk= 1185, nxpk= 0, iat=1372,1436, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  88 LEU  HB3    91 ARG  HD3     4.77             (#peak 1186 #SUP 0.98 #QF 0.25)
 &rst
  ixpk= 1186, nxpk= 0, iat=1373,1436, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#  88 LEU  HB2    89 ASN  HA      5.50             (#peak 5000 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 5000, nxpk= 0, iat=1372,1389, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  88 LEU  HB2    34 TYR  QE      5.50             (#peak 1188 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1188, nxpk= 0, iat=1372,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 513, 518,
 &end
#
#  88 LEU  HB3    89 ASN  H       4.60             (#peak 1190 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1190, nxpk= 0, iat=1373,1387, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#  78 VAL  HA     81 LEU  HB2     4.27             (#peak 1205 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 1205, nxpk= 0, iat=1225,1263, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#  78 VAL  HA     81 LEU  HB3     5.30             (#peak 1206 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1206, nxpk= 0, iat=1225,1264, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  81 LEU  HB2    82 ILE  H       4.12             (#peak 1213 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1213, nxpk= 0, iat=1263,1278, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   9 LEU  QB     37 ASN  HA      4.39             (#peak 1235 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 1235, nxpk= 0, iat=  -1, 547, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 117, 118,
 &end
#
#   9 LEU  QB     10 LEU  H       4.84             (#peak 1237 #SUP 0.98 #QF 0.26)
 &rst
  ixpk= 1237, nxpk= 0, iat=  -1, 132, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 117, 118,
 &end
#
#   9 LEU  QB      9 LEU  QD2     3.21             (#peak 1239 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1239, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 117, 118,
 igr2= 126, 127, 128,
 &end
#
#  10 LEU  HB3    39 THR  HA      4.66             (#peak 1241 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1241, nxpk= 0, iat= 137, 580, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#   9 LEU  HA     10 LEU  HB2     5.06             (#peak 1243 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1243, nxpk= 0, iat= 115, 136, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  50 SER  HB3    66 LEU  HB3     5.50             (#peak 1246 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1246, nxpk= 0, iat= 745,1011, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  10 LEU  HB3    40 ILE  QD1     4.44             (#peak 1254 #SUP 0.95 #QF 0.42)
 &rst
  ixpk= 1254, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 605, 606, 607,
 &end
#
#  10 LEU  HB2    23 TYR  QE      4.09             (#peak 1258 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1258, nxpk= 0, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2= 331, 336,
 &end
#
#  38 LEU  HA     38 LEU  QD2     4.28             (#peak 1262 #SUP 0.99 #QF 0.56)
 &rst
  ixpk= 1262, nxpk= 0, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 572, 573, 574,
 &end
#
#  38 LEU  HA     38 LEU  QD1     4.28             (#peak 1263 #SUP 1.00)
 &rst
  ixpk= 1263, nxpk= 0, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 568, 569, 570,
 &end
#
#  26 PHE  HZ     38 LEU  QD2     4                (#peak 1266 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 1266, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 572, 573, 574,
 &end
#
#  26 PHE  HZ     38 LEU  QD1     3.69             (#peak 1267 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 1267, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2= 568, 569, 570,
 &end
#
#  26 PHE  QE     38 LEU  QD1     4.31             (#peak 1268 #SUP 0.97 #QF 0.26)
 &rst
  ixpk= 1268, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 386, 390,
 igr2= 568, 569, 570,
 &end
#
#  30 TRP  HH2    38 LEU  QD1     4.87             (#peak 1273 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 1273, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 568, 569, 570,
 &end
#
#  30 TRP  HZ2    38 LEU  QD1     3.67             (#peak 1274 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1274, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 568, 569, 570,
 &end
#
#  30 TRP  HZ2    38 LEU  QD2     3.67             (#peak 1275 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 1275, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 572, 573, 574,
 &end
#
#  38 LEU  H      38 LEU  QD1     4.40             (#peak 1278 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1278, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 568, 569, 570,
 &end
#
#  38 LEU  H      38 LEU  QD2     4.40             (#peak 1279 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 1279, nxpk= 0, iat= 559,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 572, 573, 574,
 &end
#
#  38 LEU  QD2    39 THR  H       4.69             (#peak 1280 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1280, nxpk= 0, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 572, 573, 574,
 &end
#
#  38 LEU  QD1    39 THR  H       4.69             (#peak 1281 #SUP 1.00)
 &rst
  ixpk= 1281, nxpk= 0, iat=  -1, 578, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 568, 569, 570,
 &end
#
#  38 LEU  HB3    38 LEU  QD2     3.27             (#peak 1287 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1287, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 572, 573, 574,
 &end
#
#  38 LEU  HB3    38 LEU  QD1     3.27             (#peak 1288 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1288, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 568, 569, 570,
 &end
#
#  10 LEU  QD1    11 THR  H       5.46             (#peak 1316 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1316, nxpk= 0, iat=  -1, 151, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr1= 141, 142, 143,
 &end
#
#  10 LEU  QD2    30 TRP  HE1     4.90             (#peak 1317 #SUP 1.00)
 &rst
  ixpk= 1317, nxpk= 0, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 145, 146, 147,
 &end
#
#  10 LEU  QD1    30 TRP  HD1     3.41             (#peak 1322 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1322, nxpk= 0, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1= 141, 142, 143,
 &end
#
#  10 LEU  QD2    23 TYR  QD      4.49             (#peak 1323 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1323, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 145, 146, 147,
 igr2= 329, 338,
 &end
#
#  10 LEU  QD1    23 TYR  QD      5.34             (#peak 1324 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1324, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 141, 142, 143,
 igr2= 329, 338,
 &end
#
#  10 LEU  QD2    23 TYR  QE      3.74             (#peak 1325 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1325, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 145, 146, 147,
 igr2= 331, 336,
 &end
#
#  10 LEU  QD1    23 TYR  QE      4.65             (#peak 1326 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1326, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 141, 142, 143,
 igr2= 331, 336,
 &end
#
#  10 LEU  QD1    26 PHE  QE      3.36             (#peak 1327 #SUP 0.90 #QF 0.66)
 &rst
  ixpk= 1327, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 141, 142, 143,
 igr2= 386, 390,
 &end
#
#  10 LEU  QD2    26 PHE  QE      3.47             (#peak 1328 #SUP 0.96 #QF 0.81)
 &rst
  ixpk= 1328, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1= 145, 146, 147,
 igr2= 386, 390,
 &end
#
#  66 LEU  QD1    67 PHE  H       4.68             (#peak 1330 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1330, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=1015,1016,1017,
 &end
#
#  10 LEU  QD2    26 PHE  HZ      3.94             (#peak 1332 #SUP 0.57 #QF 0.57)
 &rst
  ixpk= 1332, nxpk= 0, iat=  -1, 388, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 145, 146, 147,
 &end
#
#  10 LEU  HA     10 LEU  QD1     3.87             (#peak 1336 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1336, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 141, 142, 143,
 &end
#
#  10 LEU  HA     10 LEU  QD2     3.23             (#peak 1337 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1337, nxpk= 0, iat= 134,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 145, 146, 147,
 &end
#
#  54 ILE  QG2    62 PHE  HB2     4.60             (#peak 1338 #SUP 0.98 #QF 0.88)
 &rst
  ixpk= 1338, nxpk= 0, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 814, 815, 816,
 &end
#
#  54 ILE  QG2    62 PHE  HB3     4.74             (#peak 1340 #SUP 0.99 #QF 0.89)
 &rst
  ixpk= 1340, nxpk= 0, iat=  -1, 940, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 814, 815, 816,
 &end
#
#  54 ILE  QD1    62 PHE  HB2     5.45             (#peak 1341 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 1341, nxpk= 0, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 821, 822, 823,
 &end
#
#  61 ILE  QG2    62 PHE  HB3     5.5              (#peak 1344 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1344, nxpk= 0, iat=  -1, 940, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 922, 923, 924,
 &end
#
#  61 ILE  QG2    62 PHE  HB2     5.41             (#peak 1345 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1345, nxpk= 0, iat=  -1, 939, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 922, 923, 924,
 &end
#
#  54 ILE  QG1    62 PHE  HB3     4.86             (#peak 1347 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 1347, nxpk= 0, iat=  -1, 940, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 818, 819,
 &end
#
#  10 LEU  QD2    27 SER  HA      3.80             (#peak 1348 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 1348, nxpk= 0, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 145, 146, 147,
 &end
#
#  10 LEU  QD2    27 SER  HB2     4.46             (#peak 1350 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1350, nxpk= 0, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr1= 145, 146, 147,
 &end
#
#  10 LEU  QD1    27 SER  HB2     3.59             (#peak 1351 #SUP 1.00 #QF 0.76)
 &rst
  ixpk= 1351, nxpk= 0, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 141, 142, 143,
 &end
#
#  10 LEU  QD1    27 SER  HB3     3.59             (#peak 1352 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1352, nxpk= 0, iat=  -1, 401, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 141, 142, 143,
 &end
#
#  10 LEU  QD2    30 TRP  HB2     5.11             (#peak 1354 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1354, nxpk= 0, iat=  -1, 445, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 145, 146, 147,
 &end
#
#  10 LEU  QD1    30 TRP  HB2     3.83             (#peak 1355 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1355, nxpk= 0, iat=  -1, 445, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 141, 142, 143,
 &end
#
#  10 LEU  QD1    30 TRP  HB3     3.83             (#peak 1356 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1356, nxpk= 0, iat=  -1, 446, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 141, 142, 143,
 &end
#
#  10 LEU  QD2    30 TRP  HB3     5.11             (#peak 1357 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1357, nxpk= 0, iat=  -1, 446, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 145, 146, 147,
 &end
#
#  10 LEU  HB3    10 LEU  QD2     3.10             (#peak 1360 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1360, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 145, 146, 147,
 &end
#
#  10 LEU  HB2    10 LEU  QD2     3.43             (#peak 1361 #SUP 1.00)
 &rst
  ixpk= 1361, nxpk= 0, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 145, 146, 147,
 &end
#
#  10 LEU  HB2    10 LEU  QD1     3.07             (#peak 1362 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1362, nxpk= 0, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,
 igr2= 141, 142, 143,
 &end
#
#  88 LEU  HA     88 LEU  HG      4.13             (#peak 1368 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1368, nxpk= 0, iat=1370,1375, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  87 ALA  H      88 LEU  HG      4.76             (#peak 1371 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1371, nxpk= 0, iat=1358,1375, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  56 VAL  QQG    88 LEU  HG      4.73             (#peak 1372 #SUP 0.98 #QF 0.96)
 &rst
  ixpk= 1372, nxpk= 0, iat= 844,1375, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,  &end
#
#  84 THR  QG2    88 LEU  HG      5.35             (#peak 1372 #SUP 0.98 #QF 0.96)
 &rst
  ixpk= 1372, nxpk= 0, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1=1320,1321,1322,
 &end
#
#  61 ILE  QG2    88 LEU  HG      4.97             (#peak 1373 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1373, nxpk= 0, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 922, 923, 924,
 &end
#
#  77 VAL  HA     77 VAL  QG1     3.08             (#peak 1374 #SUP 0.75 #QF 0.75)
 &rst
  ixpk= 1374, nxpk= 0, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr2=1213,1214,1215,
 &end
#
#   9 LEU  HA      9 LEU  QD1     4.22             (#peak 1376 #SUP 1.00)
 &rst
  ixpk= 1376, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 122, 123, 124,
 &end
#
#  53 THR  HA     53 THR  QG2     3.10             (#peak 1377 #SUP 0.71 #QF 0.71)
 &rst
  ixpk= 1377, nxpk= 0, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr2= 800, 801, 802,
 &end
#
#   9 LEU  QB      9 LEU  QD1     3.21             (#peak 1380 #SUP 0.97 #QF 0.92)
 &rst
  ixpk= 1380, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr1= 117, 118,
 igr2= 122, 123, 124,
 &end
#
#   9 LEU  H       9 LEU  QD2     4.28             (#peak 1385 #SUP 0.98 #QF 0.97)
 &rst
  ixpk= 1385, nxpk= 0, iat= 113,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 126, 127, 128,
 &end
#
#  10 LEU  HA     10 LEU  HG      3.67             (#peak 1401 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1401, nxpk= 0, iat= 134, 139, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  10 LEU  HB2    10 LEU  HG      2.94             (#peak 1405 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1405, nxpk= 0, iat= 136, 139, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
#  10 LEU  HG     39 THR  HA      4.32             (#peak 1407 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 1407, nxpk= 0, iat= 139, 580, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#   9 LEU  H      10 LEU  HG      4.68             (#peak 1408 #SUP 0.68 #QF 0.68)
 &rst
  ixpk= 1408, nxpk= 0, iat= 113, 139, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  10 LEU  HG     23 TYR  QE      4.94             (#peak 1411 #SUP 1.00)
 &rst
  ixpk= 1411, nxpk= 0, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 331, 336,
 &end
#
#  91 ARG  HA     91 ARG  HG3     3.45             (#peak 1419 #SUP 0.55 #QF 0.55)
 &rst
  ixpk= 1419, nxpk= 0, iat=1427,1433, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#  90 ARG  H      91 ARG  HG3     4                (#peak 1421 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 1421, nxpk= 0, iat=1401,1433, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  91 ARG  QB     91 ARG  HD3     3.76             (#peak 1426 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1426, nxpk= 0, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1=1429,1430,
 &end
#
#  24 ARG  QB     24 ARG  HG2     3.00             (#peak 1428 #SUP 0.99 #QF 0.63)
 &rst
  ixpk= 1428, nxpk= 0, iat=  -1, 349, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 346, 347,
 &end
#
#  91 ARG  QB     92 GLN  QB      3.76             (#peak 1429 #SUP 0.49 #QF 0.49)
 &rst
  ixpk= 1429, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1=1429,1430,
 igr2=1453,1454,
 &end
#
#   5 GLU  H       5 GLU  HB2     3.72             (#peak 1435 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 1435, nxpk= 0, iat=  61,  65, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  56 VAL  QQG    91 ARG  HD3     4.72             (#peak 1450 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 1450, nxpk= 0, iat= 844,1436, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,  &end
#
#  88 LEU  HA     91 ARG  HD3     4.17             (#peak 1453 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1453, nxpk= 0, iat=1370,1436, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  91 ARG  HA     91 ARG  HD2     4.93             (#peak 1454 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1454, nxpk= 0, iat=1427,1435, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  91 ARG  HA     91 ARG  HD3     4.63             (#peak 1455 #SUP 1.00)
 &rst
  ixpk= 1455, nxpk= 0, iat=1427,1436, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  45 SER  HA     47 ARG  QD      4.58             (#peak 1458 #SUP 0.38 #QF 0.38)
 &rst
  ixpk= 1458, nxpk= 0, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 709, 710,
 &end
#
#  91 ARG  QB     91 ARG  HD2     3.56             (#peak 1461 #SUP 1.00)
 &rst
  ixpk= 1461, nxpk= 0, iat=  -1,1435, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr1=1429,1430,
 &end
#
#  89 ASN  H      91 ARG  HD2     5.50             (#peak 1472 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1472, nxpk= 0, iat=1387,1435, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  88 LEU  HA     91 ARG  HG3     4.34             (#peak 1499 #SUP 0.99 #QF 0.77)
 &rst
  ixpk= 1499, nxpk= 0, iat=1370,1433, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,  &end
#
#  88 LEU  HA     91 ARG  HG2     5.00             (#peak 1500 #SUP 1.00 #QF 0.61)
 &rst
  ixpk= 1500, nxpk= 0, iat=1370,1432, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  88 LEU  HA     91 ARG  QB      4.32             (#peak 1501 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1501, nxpk= 0, iat=1370,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=1429,1430,
 &end
#
#  34 TYR  QD     88 LEU  QD1     4.55             (#peak 1507 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 1507, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 511, 520,
 igr2=1377,1378,1379,
 &end
#
#  88 LEU  HA     88 LEU  QD1     4.29             (#peak 1508 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 1508, nxpk= 0, iat=1370,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1377,1378,1379,
 &end
#
#  34 TYR  QE     88 LEU  QD1     3.88             (#peak 1511 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1511, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 513, 518,
 igr2=1377,1378,1379,
 &end
#
#  85 GLU  HA     88 LEU  QD1     4.61             (#peak 1513 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1513, nxpk= 0, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1377,1378,1379,
 &end
#
#  88 LEU  QD1    91 ARG  HD3     4.55             (#peak 1518 #SUP 0.93 #QF 0.87)
 &rst
  ixpk= 1518, nxpk= 0, iat=  -1,1436, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1=1377,1378,1379,
 &end
#
#  88 LEU  HB3    88 LEU  QD1     3.18             (#peak 1519 #SUP 1.00)
 &rst
  ixpk= 1519, nxpk= 0, iat=1373,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=1377,1378,1379,
 &end
#
#  88 LEU  HB2    88 LEU  QD1     3.24             (#peak 1521 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1521, nxpk= 0, iat=1372,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2=1377,1378,1379,
 &end
#
#  56 VAL  QQG    88 LEU  QD1     3.26             (#peak 1522 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1522, nxpk= 0, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=1377,1378,1379,
 &end
#
#  66 LEU  QD1    73 PHE  QD      3.69             (#peak 1526 #SUP 0.90 #QF 0.77)
 &rst
  ixpk= 1526, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=1015,1016,1017,
 igr2=1144,1152,
 &end
#
#  97 LEU  H      97 LEU  QD1     4.22             (#peak 1529 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1529, nxpk= 0, iat=1526,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=1535,1536,1537,
 &end
#
#  97 LEU  HA     97 LEU  QD1     4.14             (#peak 1530 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1530, nxpk= 0, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1535,1536,1537,
 &end
#
#  97 LEU  H      97 LEU  HG      3.04             (#peak 1533 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 1533, nxpk= 0, iat=1526,1533, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
#  97 LEU  HA     97 LEU  HG      3.70             (#peak 1534 #SUP 1.00)
 &rst
  ixpk= 1534, nxpk= 0, iat=1528,1533, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 103 LEU  HB2   103 LEU  QD1     3.92             (#peak 1546 #SUP 1.00)
 &rst
  ixpk= 1546, nxpk= 0, iat=1612,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1617,1618,1619,
 &end
#
#  94 ASN  HA     97 LEU  HB2     5.16             (#peak 1548 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1548, nxpk= 0, iat=1487,1530, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  94 ASN  HA     97 LEU  HB3     5.16             (#peak 1549 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1549, nxpk= 0, iat=1487,1531, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  98 LEU  HA     98 LEU  HG      3.67             (#peak 1556 #SUP 0.64 #QF 0.64)
 &rst
  ixpk= 1556, nxpk= 0, iat=1547,1552, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 103 LEU  HB2   103 LEU  QD2     3.92             (#peak 1565 #SUP 0.98 #QF 0.86)
 &rst
  ixpk= 1565, nxpk= 0, iat=1612,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1621,1622,1623,
 &end
#
#  97 LEU  HA     97 LEU  QD2     4.14             (#peak 1572 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1572, nxpk= 0, iat=1528,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1539,1540,1541,
 &end
#
# 103 LEU  QD2   107 GLU  HG2     5.79             (#peak 1578 #SUP 0.54 #QF 0.54)
 &rst
  ixpk= 1578, nxpk= 0, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr1=1621,1622,1623,
 &end
#
#  78 VAL  H      78 VAL  QG1     3.86             (#peak 1591 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1591, nxpk= 0, iat=1223,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1229,1230,1231,
 &end
#
# 103 LEU  HA    103 LEU  HG      3.81             (#peak 1594 #SUP 0.56 #QF 0.56)
 &rst
  ixpk= 1594, nxpk= 0, iat=1610,1615, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
# 103 LEU  HB3   103 LEU  QD2     3.92             (#peak 1610 #SUP 0.99 #QF 0.96)
 &rst
  ixpk= 1610, nxpk= 0, iat=1613,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1621,1622,1623,
 &end
#
# 103 LEU  HB3   103 LEU  QD1     3.92             (#peak 1614 #SUP 0.99 #QF 0.92)
 &rst
  ixpk= 1614, nxpk= 0, iat=1613,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2=1617,1618,1619,
 &end
#
#  99 SER  H      99 SER  HB3     4.13             (#peak 1646 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1646, nxpk= 0, iat=1564,1569, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  99 SER  H      99 SER  HB2     4.13             (#peak 1647 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 1647, nxpk= 0, iat=1564,1568, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   4 VAL  HA      4 VAL  QQG     4.00             (#peak 1681 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1681, nxpk= 0, iat=  47,  48, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
#  23 TYR  HA     26 PHE  HB3     4.66             (#peak 1697 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1697, nxpk= 0, iat= 323, 381, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  23 TYR  HA     26 PHE  HB2     4.70             (#peak 1698 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 1698, nxpk= 0, iat= 323, 380, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#  10 LEU  QD2    23 TYR  HA      4.56             (#peak 1700 #SUP 0.43 #QF 0.43)
 &rst
  ixpk= 1700, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 145, 146, 147,
 &end
#
#  22 PHE  QD     23 TYR  HA      4.25             (#peak 1702 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 1702, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 309, 317,
 &end
#
#  23 TYR  HA     23 TYR  QD      4.14             (#peak 1703 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1703, nxpk= 0, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 329, 338,
 &end
#
#  23 TYR  HA     27 SER  H       5.24             (#peak 1704 #SUP 1.00 #QF 0.93)
 &rst
  ixpk= 1704, nxpk= 0, iat= 323, 396, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  55 THR  HA     60 VAL  HA      4.14             (#peak 1710 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1710, nxpk= 0, iat= 829, 902, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  55 THR  QG2    60 VAL  HA      3.46             (#peak 1712 #SUP 0.98 #QF 0.67)
 &rst
  ixpk= 1712, nxpk= 0, iat=  -1, 902, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 833, 834, 835,
 &end
#
#  60 VAL  HA     61 ILE  HG12    4.75             (#peak 1714 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 1714, nxpk= 0, iat= 902, 926, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#  11 THR  HA     39 THR  HA      5.50             (#peak 1717 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 1717, nxpk= 0, iat= 153, 580, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  11 THR  HA     11 THR  QG2     4.08             (#peak 1719 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 1719, nxpk= 0, iat= 153,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 157, 158, 159,
 &end
#
#  32 SER  H      32 SER  HB3     3.97             (#peak 1727 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 1727, nxpk= 0, iat= 480, 485, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  32 SER  H      32 SER  HB2     3.97             (#peak 1728 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 1728, nxpk= 0, iat= 480, 484, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#  14 THR  HB     20 HIS  HB2     5.33             (#peak 1742 #SUP 0.81 #QF 0.71)
 &rst
  ixpk= 1742, nxpk= 0, iat= 198, 276, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#  14 THR  HB     23 TYR  HB3     5.50             (#peak 1742 #SUP 0.81 #QF 0.71)
 &rst
  ixpk= 1742, nxpk= 0, iat= 198, 326, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  14 THR  HB     42 GLU  HB3     4.66             (#peak 1744 #SUP 0.54 #QF 0.54)
 &rst
  ixpk= 1744, nxpk= 0, iat= 198, 630, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#  14 THR  HB     20 HIS  HA      4.11             (#peak 1745 #SUP 0.75 #QF 0.75)
 &rst
  ixpk= 1745, nxpk= 0, iat= 198, 274, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#  90 ARG  HA     90 ARG  QD      3.90             (#peak 1749 #SUP 0.71 #QF 0.71)
 &rst
  ixpk= 1749, nxpk= 0, iat=1403,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2=1411,1412,
 &end
#
#  23 TYR  QD     24 ARG  QD      4.66             (#peak 1755 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 1755, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 329, 338,
 igr2= 352, 353,
 &end
#
#  90 ARG  QB     90 ARG  QD      3.30             (#peak 1758 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 1758, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1405,1406,
 igr2=1411,1412,
 &end
#
#  24 ARG  QB     24 ARG  QD      3.39             (#peak 1760 #SUP 0.69 #QF 0.69)
 &rst
  ixpk= 1760, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 346, 347,
 igr2= 352, 353,
 &end
#
# 102 ASP  HB2   103 LEU  H       3.73             (#peak 1769 #SUP 0.90 #QF 0.69)
 &rst
  ixpk= 1769, nxpk= 0, iat=1600,1608, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  56 VAL  QQG    59 ASP  HB3     4.96             (#peak 1777 #SUP 0.46 #QF 0.46)
 &rst
  ixpk= 1777, nxpk= 0, iat= 844, 893, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,  &end
#
#  28 ASP  HB3    29 LYS  QD      4.41             (#peak 1780 #SUP 0.60 #QF 0.60)
 &rst
  ixpk= 1780, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 429, 430,
 &end
#
#   9 LEU  QD2    38 LEU  H       4.77             (#peak 1786 #SUP 0.66 #QF 0.66)
 &rst
  ixpk= 1786, nxpk= 0, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 126, 127, 128,
 &end
#
#  53 THR  QG2    60 VAL  HB      3.37             (#peak 1804 #SUP 0.50 #QF 0.22)
 &rst
  ixpk= 1804, nxpk= 0, iat=  -1, 904, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,
 igr1= 800, 801, 802,
 &end
#
#  10 LEU  QD1    27 SER  HA      3.09             (#peak 1807 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 1807, nxpk= 0, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr1= 141, 142, 143,
 &end
#
# 103 LEU  QD1   104 ALA  H       4.24             (#peak 1808 #SUP 0.72 #QF 0.72)
 &rst
  ixpk= 1808, nxpk= 0, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1617,1618,1619,
 &end
#
#   9 LEU  HA      9 LEU  QD2     4.22             (#peak 1877 #SUP 0.45 #QF 0.45)
 &rst
  ixpk= 1877, nxpk= 0, iat= 115,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2= 126, 127, 128,
 &end
#
#   9 LEU  QD1    37 ASN  HB2     6.04             (#peak 1934 #SUP 0.67 #QF 0.67)
 &rst
  ixpk= 1934, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr1= 122, 123, 124,
 &end
#
#   9 LEU  QD2    37 ASN  HB3     6.04             (#peak 1943 #SUP 0.61 #QF 0.33)
 &rst
  ixpk= 1943, nxpk= 0, iat=  -1, 550, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr1= 126, 127, 128,
 &end
#
# 103 LEU  QD1   107 GLU  HG2     5.79             (#peak 1956 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 1956, nxpk= 0, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr1=1617,1618,1619,
 &end
#
# 103 LEU  QD1   107 GLU  HG3     5.79             (#peak 1957 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 1957, nxpk= 0, iat=  -1,1674, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr1=1617,1618,1619,
 &end
#
#  98 LEU  HG     99 SER  HA      5.32             (#peak 1977 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 1977, nxpk= 0, iat=1552,1566, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#  60 VAL  HA     61 ILE  HG13    4.65             (#peak 2008 #SUP 1.00)
 &rst
  ixpk= 2008, nxpk= 0, iat= 902, 927, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  61 ILE  HG13   62 PHE  HB3     4.74             (#peak 2011 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 2011, nxpk= 0, iat= 927, 940, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  61 ILE  HG12   62 PHE  HB3     5.27             (#peak 2012 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 2012, nxpk= 0, iat= 926, 940, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#  61 ILE  QG2    61 ILE  HG12    3.75             (#peak 2016 #SUP 1.00)
 &rst
  ixpk= 2016, nxpk= 0, iat=  -1, 926, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 922, 923, 924,
 &end
#
#  56 VAL  QQG    61 ILE  HG12    3.87             (#peak 2017 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 2017, nxpk= 0, iat= 844, 926, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,  &end
#
#  56 VAL  QQG    61 ILE  HG13    3.99             (#peak 2018 #SUP 0.98 #QF 0.95)
 &rst
  ixpk= 2018, nxpk= 0, iat= 844, 927, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,  &end
#
#  61 ILE  HG13   84 THR  QG2     4.37             (#peak 2018 #SUP 0.98 #QF 0.95)
 &rst
  ixpk= 2018, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2=1320,1321,1322,
 &end
#
#  61 ILE  QG2    61 ILE  HG13    3.76             (#peak 2019 #SUP 1.00)
 &rst
  ixpk= 2019, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1= 922, 923, 924,
 &end
#
#  54 ILE  QG2    61 ILE  HG13    3.74             (#peak 2020 #SUP 1.00 #QF 0.88)
 &rst
  ixpk= 2020, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 814, 815, 816,
 &end
#
#  54 ILE  QD1    61 ILE  HG12    4.49             (#peak 2022 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 2022, nxpk= 0, iat=  -1, 926, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1= 821, 822, 823,
 &end
#
#  54 ILE  HB     61 ILE  HG13    5.50             (#peak 2028 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2028, nxpk= 0, iat= 812, 927, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  52 ILE  HG12   66 LEU  HG      4.14             (#peak 2046 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 2046, nxpk= 0, iat= 785,1013, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  52 ILE  HG12   64 THR  QG2     4.41             (#peak 2053 #SUP 0.98 #QF 0.97)
 &rst
  ixpk= 2053, nxpk= 0, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 978, 979, 980,
 &end
#
#  29 LYS  QG     29 LYS  QE      3.7              (#peak 2083 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2083, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 426, 427,
 igr2= 432, 433,
 &end
#
#  29 LYS  HB2    29 LYS  QD      4                (#peak 2087 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 2087, nxpk= 0, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2= 429, 430,
 &end
#
#  29 LYS  QG     29 LYS  QD      2.5              (#peak 2096 #SUP 0.61 #QF 0.61)
 &rst
  ixpk= 2096, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 426, 427,
 igr2= 429, 430,
 &end
#
#  29 LYS  QD     81 LEU  QD1     4.35             (#peak 2097 #SUP 0.56 #QF 0.56)
 &rst
  ixpk= 2097, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 429, 430,
 igr2=1268,1269,1270,
 &end
#
#  29 LYS  QG     81 LEU  QD2     4.51             (#peak 2099 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 2099, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 426, 427,
 igr2=1272,1273,1274,
 &end
#
#  87 ALA  QB     88 LEU  HA      3.85             (#peak 2103 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 2103, nxpk= 0, iat=  -1,1370, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1362,1363,1364,
 &end
#
#  87 ALA  H      87 ALA  QB      2.80             (#peak 2105 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2105, nxpk= 0, iat=1358,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1362,1363,1364,
 &end
#
#  61 ILE  HA     87 ALA  QB      3.88             (#peak 2108 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 2108, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2=1362,1363,1364,
 &end
#
#  61 ILE  QG2    87 ALA  QB      3.01             (#peak 2110 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 2110, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 922, 923, 924,
 igr2=1362,1363,1364,
 &end
#
#  56 VAL  QQG    87 ALA  QB      4.25             (#peak 2112 #SUP 0.87 #QF 0.75)
 &rst
  ixpk= 2112, nxpk= 0, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 7.30, r4= 7.80,
 igr2=1362,1363,1364,
 &end
#
#  84 THR  QG2    87 ALA  QB      4.67             (#peak 2112 #SUP 0.87 #QF 0.75)
 &rst
  ixpk= 2112, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1320,1321,1322,
 igr2=1362,1363,1364,
 &end
#
#  80 ALA  QB     81 LEU  QD2     3.63             (#peak 2116 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 2116, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1=1253,1254,1255,
 igr2=1272,1273,1274,
 &end
#
#  54 ILE  QG2    80 ALA  QB      4.32             (#peak 2118 #SUP 0.68 #QF 0.20)
 &rst
  ixpk= 2118, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 814, 815, 816,
 igr2=1253,1254,1255,
 &end
#
#  64 THR  QG2    80 ALA  QB      4.49             (#peak 2118 #SUP 0.68 #QF 0.20)
 &rst
  ixpk= 2118, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 978, 979, 980,
 igr2=1253,1254,1255,
 &end
#
#  61 ILE  HG12   87 ALA  QB      4.21             (#peak 2120 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 2120, nxpk= 0, iat= 926,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2=1362,1363,1364,
 &end
#
#  61 ILE  HG13   87 ALA  QB      4.18             (#peak 2121 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 2121, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2=1362,1363,1364,
 &end
#
#  77 VAL  HA     80 ALA  QB      3.57             (#peak 2124 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 2124, nxpk= 0, iat=1209,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2=1253,1254,1255,
 &end
#
#  48 ALA  QB     49 GLY  HA3     4                (#peak 2132 #SUP 0.56 #QF 0.56)
 &rst
  ixpk= 2132, nxpk= 0, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 727, 728, 729,
 &end
#
#  25 ALA  QB     74 GLU  HA      4.43             (#peak 2133 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 2133, nxpk= 0, iat=  -1,1158, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr1= 370, 371, 372,
 &end
#
#  21 ASP  HB3    25 ALA  QB      3.78             (#peak 2134 #SUP 0.68 #QF 0.68)
 &rst
  ixpk= 2134, nxpk= 0, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,
 igr2= 370, 371, 372,
 &end
#
#  26 PHE  QD     80 ALA  QB      3.83             (#peak 2137 #SUP 0.88 #QF 0.79)
 &rst
  ixpk= 2137, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 384, 392,
 igr2=1253,1254,1255,
 &end
#
#  26 PHE  QE     80 ALA  QB      4.29             (#peak 2137 #SUP 0.88 #QF 0.79)
 &rst
  ixpk= 2137, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 386, 390,
 igr2=1253,1254,1255,
 &end
#
#  22 PHE  HZ     80 ALA  QB      3.27             (#peak 2139 #SUP 0.68 #QF 0.68)
 &rst
  ixpk= 2139, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1253,1254,1255,
 &end
#
#  62 PHE  QE     80 ALA  QB      3.70             (#peak 2140 #SUP 0.98 #QF 0.95)
 &rst
  ixpk= 2140, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 945, 949,
 igr2=1253,1254,1255,
 &end
#
#  80 ALA  QB     81 LEU  H       3.51             (#peak 2142 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 2142, nxpk= 0, iat=  -1,1259, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,
 igr1=1253,1254,1255,
 &end
#
#  25 ALA  QB     73 PHE  QE      3.16             (#peak 2154 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 2154, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr1= 370, 371, 372,
 igr2=1146,1150,
 &end
#
#  25 ALA  QB     73 PHE  HZ      3.42             (#peak 2155 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2155, nxpk= 0, iat=  -1,1148, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1= 370, 371, 372,
 &end
#
#  15 VAL  H      15 VAL  QG2     4.05             (#peak 2157 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2157, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 218, 219, 220,
 &end
#
#  62 PHE  HZ     64 THR  QG2     3.40             (#peak 2161 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 2161, nxpk= 0, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2= 978, 979, 980,
 &end
#
#  62 PHE  QE     64 THR  QG2     3.20             (#peak 2162 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 2162, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 945, 949,
 igr2= 978, 979, 980,
 &end
#
#  64 THR  HA     64 THR  QG2     3.38             (#peak 2170 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 2170, nxpk= 0, iat= 974,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2= 978, 979, 980,
 &end
#
#  64 THR  QG2    76 THR  HA      4.33             (#peak 2171 #SUP 0.59 #QF 0.59)
 &rst
  ixpk= 2171, nxpk= 0, iat=  -1,1195, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 978, 979, 980,
 &end
#
#  64 THR  QG2    76 THR  QG2     2.69             (#peak 2175 #SUP 0.97 #QF 0.85)
 &rst
  ixpk= 2175, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 978, 979, 980,
 igr2=1199,1200,1201,
 &end
#
#  93 ILE  HA     96 ALA  QB      3.44             (#peak 2184 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 2184, nxpk= 0, iat=1468,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2=1520,1521,1522,
 &end
#
#  45 SER  HA     46 ALA  QB      4.21             (#peak 2196 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 2196, nxpk= 0, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 693, 694, 695,
 &end
#
#  52 ILE  HA     52 ILE  QG2     3.35             (#peak 2197 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2197, nxpk= 0, iat= 777,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2= 781, 782, 783,
 &end
#
#  52 ILE  QG2    64 THR  QG2     3.36             (#peak 2199 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 2199, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 781, 782, 783,
 igr2= 978, 979, 980,
 &end
#
#  40 ILE  QG2    52 ILE  QG2     3.05             (#peak 2200 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 2200, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 598, 599, 600,
 igr2= 781, 782, 783,
 &end
#
#  52 ILE  QG2    52 ILE  HG12    3.46             (#peak 2201 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2201, nxpk= 0, iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1= 781, 782, 783,
 &end
#
#  14 THR  QG2    52 ILE  QG2     3.88             (#peak 2202 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2202, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 200, 201, 202,
 igr2= 781, 782, 783,
 &end
#
#  52 ILE  QG2    54 ILE  HB      4.12             (#peak 2204 #SUP 0.62 #QF 0.62)
 &rst
  ixpk= 2204, nxpk= 0, iat=  -1, 812, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 781, 782, 783,
 &end
#
#  40 ILE  HB     52 ILE  QG2     5.03             (#peak 2205 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2205, nxpk= 0, iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 781, 782, 783,
 &end
#
#  42 GLU  HA     52 ILE  QG2     4.31             (#peak 2206 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2206, nxpk= 0, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2= 781, 782, 783,
 &end
#
#  22 PHE  QE     52 ILE  QG2     3.57             (#peak 2207 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2207, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,
 igr1= 311, 315,
 igr2= 781, 782, 783,
 &end
#
#  22 PHE  HZ     52 ILE  QG2     4.18             (#peak 2208 #SUP 0.99 #QF 0.98)
 &rst
  ixpk= 2208, nxpk= 0, iat= 313,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 781, 782, 783,
 &end
#
#  52 ILE  QG2    62 PHE  QE      4.31             (#peak 2209 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2209, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 781, 782, 783,
 igr2= 945, 949,
 &end
#
#  52 ILE  QG2    64 THR  H       4.41             (#peak 2211 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 2211, nxpk= 0, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 781, 782, 783,
 &end
#
#  52 ILE  QG2    54 ILE  H       4.23             (#peak 2213 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 2213, nxpk= 0, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 781, 782, 783,
 &end
#
#  52 ILE  QG2    62 PHE  QD      4.70             (#peak 2215 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 2215, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 781, 782, 783,
 igr2= 943, 951,
 &end
#
#  26 PHE  QD     52 ILE  QG2     5.50             (#peak 2216 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 2216, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 384, 392,
 igr2= 781, 782, 783,
 &end
#
#  54 ILE  HA     54 ILE  QD1     3.34             (#peak 2219 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 2219, nxpk= 0, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 821, 822, 823,
 &end
#
#  38 LEU  HA     54 ILE  QD1     4.13             (#peak 2221 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 2221, nxpk= 0, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 821, 822, 823,
 &end
#
#  39 THR  HA     54 ILE  QD1     5.50             (#peak 2222 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 2222, nxpk= 0, iat= 580,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 821, 822, 823,
 &end
#
#  54 ILE  QD1    56 VAL  HA      4.20             (#peak 2225 #SUP 0.72 #QF 0.72)
 &rst
  ixpk= 2225, nxpk= 0, iat=  -1, 843, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 821, 822, 823,
 &end
#
#  54 ILE  QD1    60 VAL  HA      4.56             (#peak 2227 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 2227, nxpk= 0, iat=  -1, 902, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 821, 822, 823,
 &end
#
#  54 ILE  QD1    62 PHE  HB3     4.39             (#peak 2229 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 2229, nxpk= 0, iat=  -1, 940, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 821, 822, 823,
 &end
#
#  54 ILE  QD1    61 ILE  HB      4.37             (#peak 2230 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2230, nxpk= 0, iat=  -1, 920, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 821, 822, 823,
 &end
#
#  54 ILE  HB     54 ILE  QD1     3.36             (#peak 2231 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 2231, nxpk= 0, iat= 812,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 821, 822, 823,
 &end
#
#  38 LEU  HG     54 ILE  QD1     3.89             (#peak 2234 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2234, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 821, 822, 823,
 &end
#
#  54 ILE  QD1    61 ILE  HG13    3.75             (#peak 2235 #SUP 0.65 #QF 0.65)
 &rst
  ixpk= 2235, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 821, 822, 823,
 &end
#
#  54 ILE  QD1    56 VAL  QQG     3.52             (#peak 2236 #SUP 0.87 #QF 0.79)
 &rst
  ixpk= 2236, nxpk= 0, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 821, 822, 823,
 &end
#
#  54 ILE  QD1    84 THR  QG2     3.65             (#peak 2236 #SUP 0.87 #QF 0.79)
 &rst
  ixpk= 2236, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 821, 822, 823,
 igr2=1320,1321,1322,
 &end
#
#  26 PHE  HZ     54 ILE  QD1     4.80             (#peak 2238 #SUP 0.55 #QF 0.55)
 &rst
  ixpk= 2238, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 821, 822, 823,
 &end
#
#  30 TRP  HH2    54 ILE  QD1     5.11             (#peak 2239 #SUP 0.66 #QF 0.66)
 &rst
  ixpk= 2239, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2= 821, 822, 823,
 &end
#
#  54 ILE  QD1    62 PHE  QD      4.96             (#peak 2240 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 2240, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 821, 822, 823,
 igr2= 943, 951,
 &end
#
#  54 ILE  QD1    62 PHE  H       4.40             (#peak 2241 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2241, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 821, 822, 823,
 &end
#
#  54 ILE  H      54 ILE  QD1     4.12             (#peak 2243 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 2243, nxpk= 0, iat= 808,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 821, 822, 823,
 &end
#
#  54 ILE  QD1    57 ASN  H       5.5              (#peak 2244 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2244, nxpk= 0, iat=  -1, 857, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 821, 822, 823,
 &end
#
#  61 ILE  QD1    87 ALA  QB      3.14             (#peak 2251 #SUP 0.42 #QF 0.42)
 &rst
  ixpk= 2251, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 929, 930, 931,
 igr2=1362,1363,1364,
 &end
#
#  61 ILE  QD1    88 LEU  HG      4.19             (#peak 2252 #SUP 0.44 #QF 0.44)
 &rst
  ixpk= 2252, nxpk= 0, iat=  -1,1375, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 929, 930, 931,
 &end
#
#  56 VAL  HB     61 ILE  QD1     4.16             (#peak 2253 #SUP 0.52 #QF 0.52)
 &rst
  ixpk= 2253, nxpk= 0, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 929, 930, 931,
 &end
#
#  61 ILE  HB     61 ILE  QD1     3.24             (#peak 2254 #SUP 0.39 #QF 0.39)
 &rst
  ixpk= 2254, nxpk= 0, iat= 920,  -1, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr2= 929, 930, 931,
 &end
#
#  54 ILE  QG1    61 ILE  QD1     4.01             (#peak 2255 #SUP 0.44 #QF 0.22)
 &rst
  ixpk= 2255, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 818, 819,
 igr2= 929, 930, 931,
 &end
#
#  38 LEU  HB3    61 ILE  QD1     4.04             (#peak 2258 #SUP 0.37 #QF 0.37)
 &rst
  ixpk= 2258, nxpk= 0, iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 929, 930, 931,
 &end
#
#  61 ILE  QD1    62 PHE  HB3     4.40             (#peak 2262 #SUP 0.43 #QF 0.43)
 &rst
  ixpk= 2262, nxpk= 0, iat=  -1, 940, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 929, 930, 931,
 &end
#
#  61 ILE  QD1    84 THR  HA      3.81             (#peak 2265 #SUP 0.47 #QF 0.47)
 &rst
  ixpk= 2265, nxpk= 0, iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 929, 930, 931,
 &end
#
#  60 VAL  HA     61 ILE  QD1     5.20             (#peak 2267 #SUP 0.48 #QF 0.48)
 &rst
  ixpk= 2267, nxpk= 0, iat= 902,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 929, 930, 931,
 &end
#
#  61 ILE  QD1    85 GLU  HA      4.89             (#peak 2268 #SUP 0.45 #QF 0.45)
 &rst
  ixpk= 2268, nxpk= 0, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 929, 930, 931,
 &end
#
#  38 LEU  HA     61 ILE  QD1     5.31             (#peak 2272 #SUP 0.41 #QF 0.41)
 &rst
  ixpk= 2272, nxpk= 0, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,
 igr2= 929, 930, 931,
 &end
#
#  55 THR  HA     61 ILE  QD1     4.46             (#peak 2273 #SUP 0.52 #QF 0.52)
 &rst
  ixpk= 2273, nxpk= 0, iat= 829,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 929, 930, 931,
 &end
#
#  61 ILE  QD1    62 PHE  H       4.16             (#peak 2275 #SUP 0.58 #QF 0.58)
 &rst
  ixpk= 2275, nxpk= 0, iat=  -1, 935, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 929, 930, 931,
 &end
#
#  61 ILE  H      61 ILE  QD1     4.5              (#peak 2276 #SUP 0.47 #QF 0.47)
 &rst
  ixpk= 2276, nxpk= 0, iat= 916,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 929, 930, 931,
 &end
#
#  61 ILE  QD1    88 LEU  H       4.33             (#peak 2277 #SUP 0.47 #QF 0.47)
 &rst
  ixpk= 2277, nxpk= 0, iat=  -1,1368, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1= 929, 930, 931,
 &end
#
#   7 PRO  HG3    35 THR  QG2     4.75             (#peak 2291 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 2291, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 530, 531, 532,
 &end
#
#   7 PRO  HG2    35 THR  QG2     4.75             (#peak 2292 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 2292, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2= 530, 531, 532,
 &end
#
#  43 ARG  HA     44 PRO  HG3     4.37             (#peak 2301 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 2301, nxpk= 0, iat= 642, 669, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#  43 ARG  HA     44 PRO  HG2     5                (#peak 2302 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 2302, nxpk= 0, iat= 642, 668, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  67 PHE  HA     68 PRO  HG2     4.38             (#peak 2304 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 2304, nxpk= 0, iat=1027,1049, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  44 PRO  HG2    45 SER  HA      5.05             (#peak 2306 #SUP 0.60 #QF 0.60)
 &rst
  ixpk= 2306, nxpk= 0, iat= 668, 680, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,  &end
#
#  24 ARG  HA     24 ARG  HG2     4.03             (#peak 2312 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 2312, nxpk= 0, iat= 344, 349, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  24 ARG  HG3    25 ALA  H       4.58             (#peak 2315 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 2315, nxpk= 0, iat= 350, 366, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#  24 ARG  QB     24 ARG  HG3     3.00             (#peak 2320 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 2320, nxpk= 0, iat=  -1, 350, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr1= 346, 347,
 &end
#
#   7 PRO  HB3    35 THR  QG2     5.00             (#peak 2361 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 2361, nxpk= 0, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 530, 531, 532,
 &end
#
#  74 GLU  QG     77 VAL  HB      4.85             (#peak 2375 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2375, nxpk= 0, iat=  -1,1211, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1163,1164,
 &end
#
#  76 THR  HB     77 VAL  HB      5.17             (#peak 2376 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2376, nxpk= 0, iat=1197,1211, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#  53 THR  HA     63 GLN  QB      3.45             (#peak 2381 #SUP 1.00 #QF 0.71)
 &rst
  ixpk= 2381, nxpk= 0, iat= 796,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 959, 960,
 &end
#
#  43 ARG  HB3    44 PRO  HD2     4.74             (#peak 2385 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2385, nxpk= 0, iat= 645, 665, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  55 THR  QG2    63 GLN  QB      5.24             (#peak 2389 #SUP 0.94 #QF 0.90)
 &rst
  ixpk= 2389, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 833, 834, 835,
 igr2= 959, 960,
 &end
#
#  63 GLN  QB     64 THR  HA      4.39             (#peak 2393 #SUP 0.58 #QF 0.58)
 &rst
  ixpk= 2393, nxpk= 0, iat=  -1, 974, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 959, 960,
 &end
#
#  51 TRP  HH2    63 GLN  QB      4.80             (#peak 2395 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 2395, nxpk= 0, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr2= 959, 960,
 &end
#
#  54 ILE  H      63 GLN  QB      4.64             (#peak 2399 #SUP 0.96 #QF 0.80)
 &rst
  ixpk= 2399, nxpk= 0, iat= 808,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 959, 960,
 &end
#
#   4 VAL  HB      6 VAL  H       3.94             (#peak 2408 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 2408, nxpk= 0, iat=  49,  76, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   2 VAL  H       2 VAL  HB      3.98             (#peak 2409 #SUP 0.95 #QF 0.32)
 &rst
  ixpk= 2409, nxpk= 0, iat=  14,  18, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
#  44 PRO  HB2    45 SER  H       3.82             (#peak 2413 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2413, nxpk= 0, iat= 671, 678, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  43 ARG  HA     44 PRO  HB2     5.50             (#peak 2417 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2417, nxpk= 0, iat= 642, 671, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   5 GLU  HA      6 VAL  HB      5.09             (#peak 2420 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 2420, nxpk= 0, iat=  63,  80, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#  72 ASP  HA     75 LYS  HB2     3.89             (#peak 2423 #SUP 0.67 #QF 0.67)
 &rst
  ixpk= 2423, nxpk= 0, iat=1126,1175, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#   4 VAL  HB      6 VAL  HA      5.00             (#peak 2424 #SUP 0.67 #QF 0.67)
 &rst
  ixpk= 2424, nxpk= 0, iat=  49,  78, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  43 ARG  HB2    44 PRO  HD2     4.74             (#peak 2430 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 2430, nxpk= 0, iat= 644, 665, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#  16 SER  QB     44 PRO  HB3     3.93             (#peak 2432 #SUP 0.99 #QF 0.35)
 &rst
  ixpk= 2432, nxpk= 0, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 228, 229,
 &end
#
#   6 VAL  HB      7 PRO  HD2     3.49             (#peak 2433 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 2433, nxpk= 0, iat=  80,  93, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#  72 ASP  HB2    75 LYS  HB2     4.45             (#peak 2437 #SUP 0.98 #QF 0.90)
 &rst
  ixpk= 2437, nxpk= 0, iat=1128,1175, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  53 THR  HB     63 GLN  QB      4.45             (#peak 2451 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 2451, nxpk= 0, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 959, 960,
 &end
#
#  62 PHE  HA     63 GLN  QB      4.61             (#peak 2452 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 2452, nxpk= 0, iat= 937,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 959, 960,
 &end
#
#   7 PRO  HB2    35 THR  QG2     4.05             (#peak 2458 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 2458, nxpk= 0, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 530, 531, 532,
 &end
#
#  56 VAL  HB     57 ASN  H       4.53             (#peak 2460 #SUP 0.47 #QF 0.47)
 &rst
  ixpk= 2460, nxpk= 0, iat= 845, 857, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#  56 VAL  HB     59 ASP  H       4.52             (#peak 2461 #SUP 0.62 #QF 0.62)
 &rst
  ixpk= 2461, nxpk= 0, iat= 845, 888, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#  55 THR  HA     56 VAL  HB      4.65             (#peak 2465 #SUP 0.55 #QF 0.55)
 &rst
  ixpk= 2465, nxpk= 0, iat= 829, 845, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  56 VAL  HB     59 ASP  HB2     4.81             (#peak 2466 #SUP 0.60 #QF 0.60)
 &rst
  ixpk= 2466, nxpk= 0, iat= 845, 892, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  56 VAL  HB     61 ILE  QG2     3.87             (#peak 2469 #SUP 0.46 #QF 0.46)
 &rst
  ixpk= 2469, nxpk= 0, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 922, 923, 924,
 &end
#
#  82 ILE  QG2    83 GLN  HG3     4.52             (#peak 2475 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2475, nxpk= 0, iat=  -1,1305, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1=1284,1285,1286,
 &end
#
#  79 ALA  QB     83 GLN  HG3     4.36             (#peak 2477 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2477, nxpk= 0, iat=  -1,1305, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1=1243,1244,1245,
 &end
#
#  80 ALA  HA     83 GLN  HG3     4.22             (#peak 2487 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 2487, nxpk= 0, iat=1251,1305, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  80 ALA  H      83 GLN  HG3     5.5              (#peak 2500 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2500, nxpk= 0, iat=1249,1305, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  29 LYS  H      29 LYS  HB3     3.90             (#peak 2506 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2506, nxpk= 0, iat= 419, 424, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  29 LYS  HB3    30 TRP  H       4.67             (#peak 2508 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2508, nxpk= 0, iat= 424, 441, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  29 LYS  H      29 LYS  HB2     3.90             (#peak 2509 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 2509, nxpk= 0, iat= 419, 423, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  29 LYS  HB3    81 LEU  QD1     3.70             (#peak 2516 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2516, nxpk= 0, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2=1268,1269,1270,
 &end
#
#  14 THR  QG2    42 GLU  HB3     4.60             (#peak 2518 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 2518, nxpk= 0, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 200, 201, 202,
 &end
#
#  14 THR  QG2    42 GLU  HB2     4.75             (#peak 2519 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 2519, nxpk= 0, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 200, 201, 202,
 &end
#
#  29 LYS  HB2    29 LYS  QE      4.74             (#peak 2520 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 2520, nxpk= 0, iat= 423,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 432, 433,
 &end
#
#  29 LYS  HB3    29 LYS  QE      4.74             (#peak 2521 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2521, nxpk= 0, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2= 432, 433,
 &end
#
#  14 THR  QG2    42 GLU  HG2     4.08             (#peak 2531 #SUP 0.29 #QF 0.29)
 &rst
  ixpk= 2531, nxpk= 0, iat=  -1, 632, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 200, 201, 202,
 &end
#
#  31 GLU  HA     31 GLU  QG      3.56             (#peak 2532 #SUP 0.59 #QF 0.59)
 &rst
  ixpk= 2532, nxpk= 0, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 472, 473,
 &end
#
#  14 THR  HB     42 GLU  HG2     3.85             (#peak 2533 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 2533, nxpk= 0, iat= 198, 632, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#  14 THR  HA     42 GLU  HG3     4.45             (#peak 2536 #SUP 0.68 #QF 0.68)
 &rst
  ixpk= 2536, nxpk= 0, iat= 196, 633, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  31 GLU  H      31 GLU  QG      4.35             (#peak 2545 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 2545, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 472, 473,
 &end
#
#  85 GLU  HG2    86 GLU  H       4.73             (#peak 2551 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 2551, nxpk= 0, iat=1335,1343, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  85 GLU  HG3    86 GLU  H       4.73             (#peak 2552 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2552, nxpk= 0, iat=1336,1343, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#  85 GLU  HA     85 GLU  HG2     3.90             (#peak 2557 #SUP 1.00)
 &rst
  ixpk= 2557, nxpk= 0, iat=1330,1335, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  85 GLU  HA     85 GLU  HG3     3.90             (#peak 2558 #SUP 1.00)
 &rst
  ixpk= 2558, nxpk= 0, iat=1330,1336, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#  86 GLU  H      86 GLU  HG2     3.44             (#peak 2561 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 2561, nxpk= 0, iat=1343,1350, r1= 1.30, r2= 1.80, r3= 3.44, r4= 3.94,  &end
#
#  86 GLU  HA     86 GLU  HG3     3.72             (#peak 2563 #SUP 0.67 #QF 0.67)
 &rst
  ixpk= 2563, nxpk= 0, iat=1345,1351, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  86 GLU  HG2    89 ASN  HB2     4.45             (#peak 2566 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 2566, nxpk= 0, iat=1350,1391, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  56 VAL  QQG    57 ASN  HB2     4.34             (#peak 2577 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 2577, nxpk= 0, iat= 844, 861, r1= 1.30, r2= 1.80, r3= 6.54, r4= 7.04,  &end
#
#  56 VAL  QQG    57 ASN  HB3     4.19             (#peak 2578 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 2578, nxpk= 0, iat= 844, 862, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,  &end
#
#  57 ASN  HB2    58 GLN  HG2     4.23             (#peak 2579 #SUP 0.97 #QF 0.91)
 &rst
  ixpk= 2579, nxpk= 0, iat= 861, 878, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  57 ASN  HB2    58 GLN  HB3     4.76             (#peak 2581 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 2581, nxpk= 0, iat= 861, 876, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  57 ASN  HB3    59 ASP  H       5                (#peak 2587 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2587, nxpk= 0, iat= 862, 888, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  57 ASN  HB3    58 GLN  H       3.35             (#peak 2590 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2590, nxpk= 0, iat= 862, 871, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#  83 GLN  HA     86 GLU  HG2     3.68             (#peak 2593 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 2593, nxpk= 0, iat=1299,1350, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#  83 GLN  HA     86 GLU  HG3     3.82             (#peak 2594 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 2594, nxpk= 0, iat=1299,1351, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
#  73 PHE  QD     74 GLU  QG      4.02             (#peak 2596 #SUP 0.93 #QF 0.91)
 &rst
  ixpk= 2596, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1=1144,1152,
 igr2=1163,1164,
 &end
#
#  73 PHE  QE     74 GLU  QG      4.42             (#peak 2596 #SUP 0.93 #QF 0.91)
 &rst
  ixpk= 2596, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1=1146,1150,
 igr2=1163,1164,
 &end
#
#  74 GLU  QG     78 VAL  H       4.98             (#peak 2598 #SUP 0.65 #QF 0.65)
 &rst
  ixpk= 2598, nxpk= 0, iat=  -1,1223, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1163,1164,
 &end
#
#  74 GLU  QG     75 LYS  HA      4.97             (#peak 2604 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 2604, nxpk= 0, iat=  -1,1173, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1=1163,1164,
 &end
#
#  74 GLU  HA     74 GLU  QG      3.12             (#peak 2605 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2605, nxpk= 0, iat=1158,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2=1163,1164,
 &end
#
#  74 GLU  QG     75 LYS  QE      4.40             (#peak 2608 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 2608, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1163,1164,
 igr2=1184,1185,
 &end
#
#  29 LYS  QE     74 GLU  QG      4.67             (#peak 2609 #SUP 0.58 #QF 0.58)
 &rst
  ixpk= 2609, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 432, 433,
 igr2=1163,1164,
 &end
#
#  74 GLU  HB3    74 GLU  QG      2.81             (#peak 2612 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2612, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr2=1163,1164,
 &end
#
#  25 ALA  QB     74 GLU  QG      4.63             (#peak 2615 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 2615, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 370, 371, 372,
 igr2=1163,1164,
 &end
#
#  74 GLU  QG     77 VAL  QG1     4.75             (#peak 2619 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2619, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1=1163,1164,
 igr2=1213,1214,1215,
 &end
#
#  89 ASN  HD21   89 ASN  HB2     3.50             (#peak 2624 #SUP 0.92 #QF 0.58)
 &rst
  ixpk= 2624, nxpk= 0, iat=1397,1391, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  89 ASN  HD21   89 ASN  HB3     3.50             (#peak 2625 #SUP 0.92 #QF 0.58)
 &rst
  ixpk= 2625, nxpk= 0, iat=1397,1392, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  89 ASN  HB2    90 ARG  H       3.53             (#peak 2627 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2627, nxpk= 0, iat=1391,1401, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  89 ASN  HB3    90 ARG  H       3.53             (#peak 2628 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2628, nxpk= 0, iat=1392,1401, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  87 ALA  H      89 ASN  HB2     5.50             (#peak 2630 #SUP 0.92 #QF 0.58)
 &rst
  ixpk= 2630, nxpk= 0, iat=1358,1391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  89 ASN  H      89 ASN  HB2     2.90             (#peak 2631 #SUP 0.94 #QF 0.92)
 &rst
  ixpk= 2631, nxpk= 0, iat=1387,1391, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#  89 ASN  H      89 ASN  HB3     3.50             (#peak 2632 #SUP 0.94 #QF 0.92)
 &rst
  ixpk= 2632, nxpk= 0, iat=1387,1392, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  86 GLU  HA     89 ASN  HB3     3.77             (#peak 2641 #SUP 0.76 #QF 0.76)
 &rst
  ixpk= 2641, nxpk= 0, iat=1345,1392, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#  86 GLU  HA     89 ASN  HB2     3.55             (#peak 2642 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 2642, nxpk= 0, iat=1345,1391, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#  89 ASN  HB2    90 ARG  QB      5                (#peak 2650 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 2650, nxpk= 0, iat=1391,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1405,1406,
 &end
#
#  89 ASN  HB3    90 ARG  QB      5                (#peak 2652 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2652, nxpk= 0, iat=1392,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1405,1406,
 &end
#
#  86 GLU  HG2    89 ASN  HB3     5.50             (#peak 2655 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 2655, nxpk= 0, iat=1350,1392, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  89 ASN  HB2    93 ILE  QD1     4.57             (#peak 2658 #SUP 0.93 #QF 0.71)
 &rst
  ixpk= 2658, nxpk= 0, iat=1391,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2=1479,1480,1481,
 &end
#
#  89 ASN  HB3    93 ILE  QD1     5.50             (#peak 2659 #SUP 0.93 #QF 0.71)
 &rst
  ixpk= 2659, nxpk= 0, iat=1392,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1479,1480,1481,
 &end
#
#  38 LEU  HB2    54 ILE  HB      5.30             (#peak 2669 #SUP 0.64 #QF 0.64)
 &rst
  ixpk= 2669, nxpk= 0, iat= 563, 812, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  53 THR  HA     54 ILE  HB      4.79             (#peak 2674 #SUP 0.41 #QF 0.41)
 &rst
  ixpk= 2674, nxpk= 0, iat= 796, 812, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#  54 ILE  HB     62 PHE  QD      4.33             (#peak 2676 #SUP 0.64 #QF 0.64)
 &rst
  ixpk= 2676, nxpk= 0, iat= 812,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 943, 951,
 &end
#
#  54 ILE  HB     62 PHE  H       5.5              (#peak 2677 #SUP 0.67 #QF 0.67)
 &rst
  ixpk= 2677, nxpk= 0, iat= 812, 935, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  52 ILE  HB     66 LEU  H       5.16             (#peak 2681 #SUP 1.00 #QF 0.98)
 &rst
  ixpk= 2681, nxpk= 0, iat= 779,1006, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#  51 TRP  HA     52 ILE  HB      5.04             (#peak 2683 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2683, nxpk= 0, iat= 753, 779, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  52 ILE  HB     64 THR  QG2     3.42             (#peak 2685 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2685, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr2= 978, 979, 980,
 &end
#
#  12 ASP  HB2    23 TYR  QE      4.47             (#peak 2692 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 2692, nxpk= 0, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 331, 336,
 &end
#
#  12 ASP  H      12 ASP  HB2     3.69             (#peak 2693 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2693, nxpk= 0, iat= 165, 169, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#  82 ILE  H      82 ILE  HB      2.94             (#peak 2697 #SUP 1.00 #QF 0.96)
 &rst
  ixpk= 2697, nxpk= 0, iat=1278,1282, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
#  79 ALA  HA     82 ILE  HB      3.81             (#peak 2700 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 2700, nxpk= 0, iat=1241,1282, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#  89 ASN  HB2    93 ILE  HB      4.81             (#peak 2704 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2704, nxpk= 0, iat=1391,1470, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  82 ILE  HB     83 GLN  HG2     5.31             (#peak 2705 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 2705, nxpk= 0, iat=1282,1304, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#  82 ILE  HB     83 GLN  HG3     4.57             (#peak 2706 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2706, nxpk= 0, iat=1282,1305, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  93 ILE  QG2    93 ILE  HB      3.00             (#peak 2711 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 2711, nxpk= 0, iat=  -1,1470, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,
 igr1=1472,1473,1474,
 &end
#
#  61 ILE  HB     87 ALA  QB      3.43             (#peak 2716 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 2716, nxpk= 0, iat= 920,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2=1362,1363,1364,
 &end
#
#  61 ILE  HB     87 ALA  HA      4.69             (#peak 2718 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 2718, nxpk= 0, iat= 920,1360, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  61 ILE  H      61 ILE  HB      4.05             (#peak 2721 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 2721, nxpk= 0, iat= 916, 920, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  28 ASP  H      28 ASP  HB3     3.50             (#peak 2728 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 2728, nxpk= 0, iat= 407, 412, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  25 ALA  HA     28 ASP  HB2     3.66             (#peak 2730 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 2730, nxpk= 0, iat= 368, 411, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,  &end
#
#  25 ALA  HA     28 ASP  HB3     4.09             (#peak 2731 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 2731, nxpk= 0, iat= 368, 412, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#  56 VAL  HB     59 ASP  HB3     4.81             (#peak 2738 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 2738, nxpk= 0, iat= 845, 893, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  28 ASP  HB3    29 LYS  QG      4.48             (#peak 2740 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 2740, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 426, 427,
 &end
#
#  25 ALA  QB     28 ASP  HB3     5.50             (#peak 2741 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 2741, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 370, 371, 372,
 &end
#
#  28 ASP  HB2    29 LYS  QG      4.42             (#peak 2742 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 2742, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 426, 427,
 &end
#
#  56 VAL  H      59 ASP  HB3     4.97             (#peak 2748 #SUP 0.49 #QF 0.49)
 &rst
  ixpk= 2748, nxpk= 0, iat= 841, 893, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  41 ASN  HB2    42 GLU  H       4.20             (#peak 2757 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2757, nxpk= 0, iat= 615, 625, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#  41 ASN  HB2    53 THR  QG2     4.80             (#peak 2774 #SUP 0.49 #QF 0.49)
 &rst
  ixpk= 2774, nxpk= 0, iat= 615,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 800, 801, 802,
 &end
#
#  68 PRO  QD     69 LEU  H       5.33             (#peak 2790 #SUP 0.99 #QF 0.86)
 &rst
  ixpk= 2790, nxpk= 0, iat=  -1,1059, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1=1046,1047,
 &end
#
#  12 ASP  HA     23 TYR  QD      4.41             (#peak 2798 #SUP 0.45 #QF 0.45)
 &rst
  ixpk= 2798, nxpk= 0, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 329, 338,
 &end
#
#  93 ILE  QG2    96 ALA  HA      5.30             (#peak 2804 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 2804, nxpk= 0, iat=  -1,1518, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1472,1473,1474,
 &end
#
#  80 ALA  HA     83 GLN  HA      5.50             (#peak 2812 #SUP 1.00)
 &rst
  ixpk= 2812, nxpk= 0, iat=1251,1299, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  62 PHE  QD     80 ALA  HA      4.35             (#peak 2813 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 2813, nxpk= 0, iat=  -1,1251, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1= 943, 951,
 &end
#
#  62 PHE  QE     80 ALA  HA      4.02             (#peak 2814 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 2814, nxpk= 0, iat=  -1,1251, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 945, 949,
 &end
#
#  62 PHE  HZ     80 ALA  HA      4.39             (#peak 2815 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 2815, nxpk= 0, iat= 947,1251, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  22 PHE  HZ     80 ALA  HA      5.03             (#peak 2820 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 2820, nxpk= 0, iat= 313,1251, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#  80 ALA  HA     83 GLN  HB3     4.36             (#peak 2821 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2821, nxpk= 0, iat=1251,1302, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#  80 ALA  HA     83 GLN  HB2     4.22             (#peak 2822 #SUP 1.00)
 &rst
  ixpk= 2822, nxpk= 0, iat=1251,1301, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  42 GLU  HA     52 ILE  HA      4.76             (#peak 2846 #SUP 0.99 #QF 0.91)
 &rst
  ixpk= 2846, nxpk= 0, iat= 627, 777, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#  25 ALA  HA     28 ASP  H       4.52             (#peak 2861 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 2861, nxpk= 0, iat= 368, 407, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
# 106 ASP  H     107 GLU  HA      5.22             (#peak 2872 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2872, nxpk= 0, iat=1654,1668, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#  88 LEU  HA     88 LEU  QD2     4.29             (#peak 2887 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2887, nxpk= 0, iat=1370,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1381,1382,1383,
 &end
#
#  44 PRO  HA     45 SER  QB      4.50             (#peak 2893 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 2893, nxpk= 0, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 682, 683,
 &end
#
#  45 SER  QB     65 PHE  QE      4.68             (#peak 2894 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 2894, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 682, 683,
 igr2= 996,1000,
 &end
#
#  45 SER  QB     65 PHE  HZ      4.53             (#peak 2896 #SUP 0.56 #QF 0.56)
 &rst
  ixpk= 2896, nxpk= 0, iat=  -1, 998, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 682, 683,
 &end
#
#  45 SER  QB     46 ALA  HA      5                (#peak 2903 #SUP 0.90 #QF 0.90)
 &rst
  ixpk= 2903, nxpk= 0, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 682, 683,
 &end
#
#  16 SER  QB     44 PRO  HA      4.13             (#peak 2912 #SUP 0.93 #QF 0.26)
 &rst
  ixpk= 2912, nxpk= 0, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 228, 229,
 &end
#
#  22 PHE  QE     77 VAL  HA      3.60             (#peak 2915 #SUP 0.97 #QF 0.93)
 &rst
  ixpk= 2915, nxpk= 0, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 311, 315,
 &end
#
#  22 PHE  QD     77 VAL  HA      4.18             (#peak 2916 #SUP 0.91 #QF 0.82)
 &rst
  ixpk= 2916, nxpk= 0, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 309, 317,
 &end
#
#  22 PHE  HZ     77 VAL  HA      4.44             (#peak 2916 #SUP 0.91 #QF 0.82)
 &rst
  ixpk= 2916, nxpk= 0, iat= 313,1209, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#  78 VAL  HA     82 ILE  H       5.50             (#peak 2918 #SUP 1.00)
 &rst
  ixpk= 2918, nxpk= 0, iat=1225,1278, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  78 VAL  HA     81 LEU  QD2     4.41             (#peak 2931 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 2931, nxpk= 0, iat=1225,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1272,1273,1274,
 &end
#
#  78 VAL  HA     78 VAL  QG1     3.30             (#peak 2935 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 2935, nxpk= 0, iat=1225,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1229,1230,1231,
 &end
#
#  25 ALA  QB     77 VAL  HA      5.38             (#peak 2937 #SUP 0.96 #QF 0.83)
 &rst
  ixpk= 2937, nxpk= 0, iat=  -1,1209, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 370, 371, 372,
 &end
#
#  77 VAL  HA     81 LEU  HG      5.50             (#peak 2937 #SUP 0.96 #QF 0.83)
 &rst
  ixpk= 2937, nxpk= 0, iat=1209,1266, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  29 LYS  QG     78 VAL  HA      4.98             (#peak 2940 #SUP 0.84 #QF 0.66)
 &rst
  ixpk= 2940, nxpk= 0, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 426, 427,
 &end
#
#  76 THR  HA     79 ALA  QB      3.84             (#peak 2945 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 2945, nxpk= 0, iat=1195,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1243,1244,1245,
 &end
#
#  84 THR  HB     85 GLU  HA      4.49             (#peak 2949 #SUP 0.71 #QF 0.71)
 &rst
  ixpk= 2949, nxpk= 0, iat=1318,1330, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#  76 THR  HA     79 ALA  H       4.68             (#peak 2953 #SUP 0.75 #QF 0.75)
 &rst
  ixpk= 2953, nxpk= 0, iat=1195,1239, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  62 PHE  QE     64 THR  HB      4.19             (#peak 2956 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 2956, nxpk= 0, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 945, 949,
 &end
#
#  62 PHE  HZ     64 THR  HB      4.07             (#peak 2957 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 2957, nxpk= 0, iat= 947, 976, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  49 GLY  HA3    65 PHE  HZ      4.99             (#peak 2982 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 2982, nxpk= 0, iat= 736, 998, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#  85 GLU  HA     88 LEU  HB2     4.51             (#peak 2994 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 2994, nxpk= 0, iat=1330,1372, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  29 LYS  HB3    29 LYS  QD      3.45             (#peak 3016 #SUP 0.46 #QF 0.46)
 &rst
  ixpk= 3016, nxpk= 0, iat= 424,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 429, 430,
 &end
#
#  18 ILE  QG2    66 LEU  HB2     5.5              (#peak 3024 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 3024, nxpk= 0, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 252, 253, 254,
 &end
#
#   9 LEU  HA     37 ASN  HD21    5.36             (#peak 3040 #SUP 0.58 #QF 0.58)
 &rst
  ixpk= 3040, nxpk= 0, iat= 115, 555, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  56 VAL  QQG    59 ASP  HB2     4.96             (#peak 3052 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 3052, nxpk= 0, iat= 844, 892, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,  &end
#
#   5 GLU  H       5 GLU  HB3     4                (#peak 3056 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 3056, nxpk= 0, iat=  61,  66, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   5 GLU  H       5 GLU  HB2     4                (#peak 3057 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 3057, nxpk= 0, iat=  61,  65, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  93 ILE  H      93 ILE  QD1     3.70             (#peak 3060 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 3060, nxpk= 0, iat=1466,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2=1479,1480,1481,
 &end
#
#  89 ASN  H      93 ILE  QD1     4.38             (#peak 3061 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 3061, nxpk= 0, iat=1387,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=1479,1480,1481,
 &end
#
#  18 ILE  QD1    67 PHE  H       3.61             (#peak 3063 #SUP 0.23 #QF 0.23)
 &rst
  ixpk= 3063, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 259, 260, 261,
 &end
#
#  34 TYR  H      93 ILE  QD1     3.93             (#peak 3064 #SUP 0.36 #QF 0.36)
 &rst
  ixpk= 3064, nxpk= 0, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1479,1480,1481,
 &end
#
#  17 SER  H      18 ILE  QD1     5.50             (#peak 3066 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 3066, nxpk= 0, iat= 235,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 259, 260, 261,
 &end
#
#  92 GLN  HE21   93 ILE  QD1     4.98             (#peak 3072 #SUP 0.29 #QF 0.29)
 &rst
  ixpk= 3072, nxpk= 0, iat=1462,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1479,1480,1481,
 &end
#
#  89 ASN  HA     93 ILE  QD1     3.74             (#peak 3089 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 3089, nxpk= 0, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1479,1480,1481,
 &end
#
#  93 ILE  HA     93 ILE  QD1     5                (#peak 3090 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 3090, nxpk= 0, iat=1468,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2=1479,1480,1481,
 &end
#
#  85 GLU  HA     93 ILE  QD1     4.11             (#peak 3092 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 3092, nxpk= 0, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2=1479,1480,1481,
 &end
#
#  18 ILE  QD1    49 GLY  HA3     3.86             (#peak 3093 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 3093, nxpk= 0, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 259, 260, 261,
 &end
#
#  92 GLN  HG3    93 ILE  QD1     4.61             (#peak 3096 #SUP 0.68 #QF 0.68)
 &rst
  ixpk= 3096, nxpk= 0, iat=1457,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1479,1480,1481,
 &end
#
#  93 ILE  HB     93 ILE  QD1     2.80             (#peak 3097 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 3097, nxpk= 0, iat=1470,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1479,1480,1481,
 &end
#
#  52 ILE  HG13   64 THR  QG2     4.50             (#peak 3113 #SUP 1.00 #QF 0.97)
 &rst
  ixpk= 3113, nxpk= 0, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 978, 979, 980,
 &end
#
#  18 ILE  HG13   66 LEU  HB3     4.00             (#peak 3118 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 3118, nxpk= 0, iat= 257,1011, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  18 ILE  HB     18 ILE  HG13    2.75             (#peak 3120 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 3120, nxpk= 0, iat= 250, 257, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25,  &end
#
#  82 ILE  HA     82 ILE  QG1     3.57             (#peak 3121 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 3121, nxpk= 0, iat=1280,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2=1288,1289,
 &end
#
#  18 ILE  HG13   68 PRO  HA      5.15             (#peak 3124 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 3124, nxpk= 0, iat= 257,1055, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#  79 ALA  HA     82 ILE  QG1     4.33             (#peak 3125 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 3125, nxpk= 0, iat=1241,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=1288,1289,
 &end
#
#  18 ILE  HA     18 ILE  HG13    3.73             (#peak 3126 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 3126, nxpk= 0, iat= 248, 257, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  93 ILE  HA     93 ILE  HG12    3.51             (#peak 3127 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 3127, nxpk= 0, iat=1468,1476, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#  78 VAL  HA     82 ILE  QG1     5.50             (#peak 3129 #SUP 0.27 #QF 0.27)
 &rst
  ixpk= 3129, nxpk= 0, iat=1225,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1288,1289,
 &end
#
#  61 ILE  HA     61 ILE  QD1     4.29             (#peak 3161 #SUP 0.46 #QF 0.46)
 &rst
  ixpk= 3161, nxpk= 0, iat= 918,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 929, 930, 931,
 &end
#
#  93 ILE  QG2    96 ALA  QB      3.63             (#peak 3164 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 3164, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1=1472,1473,1474,
 igr2=1520,1521,1522,
 &end
#
#  93 ILE  QG2    93 ILE  HG13    3.32             (#peak 3165 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 3165, nxpk= 0, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr1=1472,1473,1474,
 &end
#
#  82 ILE  HA     82 ILE  QG2     3.12             (#peak 3169 #SUP 0.71 #QF 0.71)
 &rst
  ixpk= 3169, nxpk= 0, iat=1280,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2=1284,1285,1286,
 &end
#
#  93 ILE  HA     93 ILE  QG2     3.11             (#peak 3170 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 3170, nxpk= 0, iat=1468,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2=1472,1473,1474,
 &end
#
#  82 ILE  QG2    86 GLU  HG2     3.58             (#peak 3171 #SUP 0.44 #QF 0.44)
 &rst
  ixpk= 3171, nxpk= 0, iat=  -1,1350, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr1=1284,1285,1286,
 &end
#
#  82 ILE  QG2    83 GLN  HA      3.87             (#peak 3172 #SUP 0.68 #QF 0.68)
 &rst
  ixpk= 3172, nxpk= 0, iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1=1284,1285,1286,
 &end
#
#  93 ILE  QG2    94 ASN  HA      4.34             (#peak 3173 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 3173, nxpk= 0, iat=  -1,1487, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1=1472,1473,1474,
 &end
#
#  82 ILE  H      82 ILE  QD1     3.55             (#peak 3177 #SUP 0.29 #QF 0.29)
 &rst
  ixpk= 3177, nxpk= 0, iat=1278,  -1, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,
 igr2=1291,1292,1293,
 &end
#
#  82 ILE  QG2    83 GLN  H       3.90             (#peak 3178 #SUP 0.67 #QF 0.67)
 &rst
  ixpk= 3178, nxpk= 0, iat=  -1,1297, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1=1284,1285,1286,
 &end
#
#  93 ILE  QG2    93 ILE  HG12    3.46             (#peak 3193 #SUP 1.00)
 &rst
  ixpk= 3193, nxpk= 0, iat=  -1,1476, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr1=1472,1473,1474,
 &end
#
#  93 ILE  HA     93 ILE  HG13    3.72             (#peak 3200 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 3200, nxpk= 0, iat=1468,1477, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  85 GLU  HA     93 ILE  HG13    5.50             (#peak 3201 #SUP 1.00)
 &rst
  ixpk= 3201, nxpk= 0, iat=1330,1477, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  18 ILE  HA     18 ILE  QD1     4.21             (#peak 3223 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 3223, nxpk= 0, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 259, 260, 261,
 &end
#
#  18 ILE  QD1    66 LEU  H       3.86             (#peak 3226 #SUP 0.48 #QF 0.48)
 &rst
  ixpk= 3226, nxpk= 0, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr1= 259, 260, 261,
 &end
#
#  18 ILE  QD1    49 GLY  H       4.77             (#peak 3227 #SUP 0.75 #QF 0.75)
 &rst
  ixpk= 3227, nxpk= 0, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 259, 260, 261,
 &end
#
#  18 ILE  QD1    73 PHE  QD      4.19             (#peak 3231 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 3231, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 259, 260, 261,
 igr2=1144,1152,
 &end
#
#  34 TYR  QE     93 ILE  QD1     4.72             (#peak 3235 #SUP 0.68 #QF 0.68)
 &rst
  ixpk= 3235, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 513, 518,
 igr2=1479,1480,1481,
 &end
#
#  18 ILE  QD1    68 PRO  HA      3.47             (#peak 3240 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 3240, nxpk= 0, iat=  -1,1055, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,
 igr1= 259, 260, 261,
 &end
#
#  18 ILE  QD1    49 GLY  HA2     3.66             (#peak 3243 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 3243, nxpk= 0, iat=  -1, 735, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 259, 260, 261,
 &end
#
#  18 ILE  QD1    50 SER  HB2     4.19             (#peak 3245 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 3245, nxpk= 0, iat=  -1, 744, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 259, 260, 261,
 &end
#
#  18 ILE  QD1    19 GLY  HA3     4.91             (#peak 3248 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 3248, nxpk= 0, iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 259, 260, 261,
 &end
#
#  18 ILE  QD1    50 SER  HB3     4.19             (#peak 3249 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 3249, nxpk= 0, iat=  -1, 745, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 259, 260, 261,
 &end
#
#  18 ILE  QD1    73 PHE  HB2     5                (#peak 3250 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 3250, nxpk= 0, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 259, 260, 261,
 &end
#
#  18 ILE  QD1    67 PHE  HB2     5.14             (#peak 3251 #SUP 0.85 #QF 0.85)
 &rst
  ixpk= 3251, nxpk= 0, iat=  -1,1029, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 259, 260, 261,
 &end
#
#  18 ILE  QD1    68 PRO  HB2     4.36             (#peak 3253 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 3253, nxpk= 0, iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 259, 260, 261,
 &end
#
#  18 ILE  QD1    68 PRO  HB3     3.70             (#peak 3256 #SUP 0.63 #QF 0.63)
 &rst
  ixpk= 3256, nxpk= 0, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 259, 260, 261,
 &end
#
#  18 ILE  HB     18 ILE  QD1     3.09             (#peak 3257 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 3257, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,
 igr2= 259, 260, 261,
 &end
#
#  18 ILE  QD1    66 LEU  HB3     3.28             (#peak 3260 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 3260, nxpk= 0, iat=  -1,1011, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1= 259, 260, 261,
 &end
#
#  88 LEU  HB2    93 ILE  QD1     3.30             (#peak 3262 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 3262, nxpk= 0, iat=1372,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr2=1479,1480,1481,
 &end
#
#  18 ILE  QG2    18 ILE  HG13    3.23             (#peak 3263 #SUP 1.00)
 &rst
  ixpk= 3263, nxpk= 0, iat=  -1, 257, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr1= 252, 253, 254,
 &end
#
#  18 ILE  QG2    18 ILE  HG12    3.24             (#peak 3264 #SUP 1.00)
 &rst
  ixpk= 3264, nxpk= 0, iat=  -1, 256, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,
 igr1= 252, 253, 254,
 &end
#
#  18 ILE  QG2    66 LEU  HB3     5                (#peak 3265 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 3265, nxpk= 0, iat=  -1,1011, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1= 252, 253, 254,
 &end
#
#  18 ILE  QG2    68 PRO  HB3     3.65             (#peak 3266 #SUP 0.72 #QF 0.72)
 &rst
  ixpk= 3266, nxpk= 0, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr1= 252, 253, 254,
 &end
#
#  18 ILE  QG2    68 PRO  HB2     3.97             (#peak 3269 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 3269, nxpk= 0, iat=  -1,1052, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1= 252, 253, 254,
 &end
#
#  18 ILE  QG2    21 ASP  HB3     5.42             (#peak 3270 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 3270, nxpk= 0, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr1= 252, 253, 254,
 &end
#
#  18 ILE  QG2    21 ASP  HB2     4.44             (#peak 3271 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 3271, nxpk= 0, iat=  -1, 293, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 252, 253, 254,
 &end
#
#  18 ILE  QG2    73 PHE  HB2     3.96             (#peak 3272 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 3272, nxpk= 0, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 252, 253, 254,
 &end
#
#  18 ILE  QG2    68 PRO  QD      4.20             (#peak 3273 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 3273, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 252, 253, 254,
 igr2=1046,1047,
 &end
#
#  18 ILE  HA     18 ILE  QG2     3.44             (#peak 3274 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 3274, nxpk= 0, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 252, 253, 254,
 &end
#
#  82 ILE  QG2    82 ILE  QG1     3.54             (#peak 3281 #SUP 0.96 #QF 0.92)
 &rst
  ixpk= 3281, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr1=1284,1285,1286,
 igr2=1288,1289,
 &end
#
#  18 ILE  HG12   49 GLY  HA3     4.65             (#peak 3283 #SUP 0.57 #QF 0.57)
 &rst
  ixpk= 3283, nxpk= 0, iat= 256, 736, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  18 ILE  HG12   68 PRO  HA      4.22             (#peak 3284 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 3284, nxpk= 0, iat= 256,1055, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#  17 SER  HA     18 ILE  HG12    5.44             (#peak 3288 #SUP 0.72 #QF 0.72)
 &rst
  ixpk= 3288, nxpk= 0, iat= 237, 256, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#  18 ILE  HB     19 GLY  HA2     4.15             (#peak 3295 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 3295, nxpk= 0, iat= 250, 267, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#  18 ILE  HB     21 ASP  HB2     5.35             (#peak 3296 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 3296, nxpk= 0, iat= 250, 293, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  81 LEU  H      82 ILE  HB      5.24             (#peak 3297 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 3297, nxpk= 0, iat=1259,1282, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  82 ILE  HB     84 THR  H       5.50             (#peak 3298 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 3298, nxpk= 0, iat=1282,1314, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  18 ILE  HA     21 ASP  HB3     4.92             (#peak 3305 #SUP 1.00)
 &rst
  ixpk= 3305, nxpk= 0, iat= 248, 294, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#  17 SER  QB     18 ILE  H       3.98             (#peak 3311 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 3311, nxpk= 0, iat=  -1, 246, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 239, 240,
 &end
#
#  93 ILE  HA     95 GLN  H       4.47             (#peak 3313 #SUP 0.96 #QF 0.95)
 &rst
  ixpk= 3313, nxpk= 0, iat=1468,1499, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  17 SER  QB     18 ILE  QG2     4.47             (#peak 3317 #SUP 0.76 #QF 0.76)
 &rst
  ixpk= 3317, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 239, 240,
 igr2= 252, 253, 254,
 &end
#
#  74 GLU  HA     77 VAL  QG1     4.29             (#peak 3319 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 3319, nxpk= 0, iat=1158,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1213,1214,1215,
 &end
#
#  73 PHE  HA     74 GLU  HA      5.21             (#peak 3323 #SUP 0.96 #QF 0.89)
 &rst
  ixpk= 3323, nxpk= 0, iat=1138,1158, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#  74 GLU  HA     75 LYS  HA      5.50             (#peak 3323 #SUP 0.96 #QF 0.89)
 &rst
  ixpk= 3323, nxpk= 0, iat=1158,1173, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  75 LYS  HA     78 VAL  QG2     4.66             (#peak 3333 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 3333, nxpk= 0, iat=1173,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1233,1234,1235,
 &end
#
#  75 LYS  HA     79 ALA  H       4.72             (#peak 3335 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 3335, nxpk= 0, iat=1173,1239, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#  83 GLN  HA     86 GLU  HB3     4.14             (#peak 3349 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 3349, nxpk= 0, iat=1299,1348, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  72 ASP  HB3    75 LYS  HB2     4.45             (#peak 3358 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 3358, nxpk= 0, iat=1129,1175, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#  72 ASP  HB2    75 LYS  QD      5                (#peak 3360 #SUP 0.57 #QF 0.57)
 &rst
  ixpk= 3360, nxpk= 0, iat=1128,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1181,1182,
 &end
#
#  80 ALA  QB     81 LEU  HA      4.23             (#peak 3364 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 3364, nxpk= 0, iat=  -1,1261, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1253,1254,1255,
 &end
#
#  62 PHE  HZ     80 ALA  QB      4.31             (#peak 3368 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 3368, nxpk= 0, iat= 947,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr2=1253,1254,1255,
 &end
#
#  77 VAL  H      80 ALA  QB      5.27             (#peak 3370 #SUP 1.00 #QF 0.99)
 &rst
  ixpk= 3370, nxpk= 0, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2=1253,1254,1255,
 &end
#
#  80 ALA  QB     82 ILE  H       5.50             (#peak 3370 #SUP 1.00 #QF 0.99)
 &rst
  ixpk= 3370, nxpk= 0, iat=  -1,1278, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1253,1254,1255,
 &end
#
# 104 ALA  QB    105 HIS  HA      4.45             (#peak 3377 #SUP 0.47 #QF 0.47)
 &rst
  ixpk= 3377, nxpk= 0, iat=  -1,1639, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1631,1632,1633,
 &end
#
#  85 GLU  H      87 ALA  QB      5.13             (#peak 3378 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 3378, nxpk= 0, iat=1328,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=1362,1363,1364,
 &end
#
#  62 PHE  HB2    87 ALA  QB      4.33             (#peak 3384 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 3384, nxpk= 0, iat= 939,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2=1362,1363,1364,
 &end
#
# 102 ASP  HB2   104 ALA  QB      5.50             (#peak 3388 #SUP 0.50 #QF 0.50)
 &rst
  ixpk= 3388, nxpk= 0, iat=1600,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1631,1632,1633,
 &end
#
# 102 ASP  HB3   104 ALA  QB      5.50             (#peak 3389 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 3389, nxpk= 0, iat=1601,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1631,1632,1633,
 &end
#
#  94 ASN  H      96 ALA  QB      5.26             (#peak 3393 #SUP 0.99 #QF 0.24)
 &rst
  ixpk= 3393, nxpk= 0, iat=1485,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2=1520,1521,1522,
 &end
#
#  80 ALA  QB     81 LEU  QD1     4.93             (#peak 3395 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 3395, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,
 igr1=1253,1254,1255,
 igr2=1268,1269,1270,
 &end
#
#  26 PHE  HB2    80 ALA  QB      4.45             (#peak 3397 #SUP 0.98 #QF 0.53)
 &rst
  ixpk= 3397, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1253,1254,1255,
 &end
#
#  26 PHE  HB3    80 ALA  QB      5.5              (#peak 3396 #SUP 0.98 #QF 0.53)
 &rst
  ixpk= 3396, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1253,1254,1255,
 &end
#
#  25 ALA  QB     28 ASP  HB2     4.52             (#peak 3404 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 3404, nxpk= 0, iat=  -1, 411, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr1= 370, 371, 372,
 &end
#
#  25 ALA  QB     26 PHE  HB3     4.64             (#peak 3405 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 3405, nxpk= 0, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 370, 371, 372,
 &end
#
#  78 VAL  HA     80 ALA  QB      5.01             (#peak 3410 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 3410, nxpk= 0, iat=1225,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2=1253,1254,1255,
 &end
#
#  78 VAL  QG1    79 ALA  QB      4.99             (#peak 3425 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 3425, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=1229,1230,1231,
 igr2=1243,1244,1245,
 &end
#
#  73 PHE  HA     73 PHE  QD      4.13             (#peak 3432 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 3432, nxpk= 0, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1144,1152,
 &end
#
#  73 PHE  HA     76 THR  HB      4.48             (#peak 3434 #SUP 0.97 #QF 0.64)
 &rst
  ixpk= 3434, nxpk= 0, iat=1138,1197, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,  &end
#
#  22 PHE  HA     26 PHE  HB3     4.80             (#peak 3437 #SUP 0.42 #QF 0.42)
 &rst
  ixpk= 3437, nxpk= 0, iat= 303, 381, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#  73 PHE  HA     77 VAL  HB      5.50             (#peak 3440 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 3440, nxpk= 0, iat=1138,1211, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  73 PHE  HA     76 THR  QG2     4.60             (#peak 3442 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 3442, nxpk= 0, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1199,1200,1201,
 &end
#
#  22 PHE  HA     25 ALA  QB      4.16             (#peak 3444 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 3444, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 370, 371, 372,
 &end
#
#  22 PHE  HA     73 PHE  QE      4.32             (#peak 3449 #SUP 0.66 #QF 0.66)
 &rst
  ixpk= 3449, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2=1146,1150,
 &end
#
#  22 PHE  HA     24 ARG  H       4.67             (#peak 3450 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 3450, nxpk= 0, iat= 303, 342, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  86 GLU  HB3    87 ALA  HA      4.71             (#peak 3461 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 3461, nxpk= 0, iat=1348,1360, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 103 LEU  HG    104 ALA  H       3.31             (#peak 3475 #SUP 0.40 #QF 0.40)
 &rst
  ixpk= 3475, nxpk= 0, iat=1615,1627, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#  52 ILE  QG2    52 ILE  HG13    2.87             (#peak 3481 #SUP 0.97 #QF 0.69)
 &rst
  ixpk= 3481, nxpk= 0, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr1= 781, 782, 783,
 &end
#
#  52 ILE  QG2    52 ILE  QD1     2.99             (#peak 3482 #SUP 0.97 #QF 0.69)
 &rst
  ixpk= 3482, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 781, 782, 783,
 igr2= 788, 789, 790,
 &end
#
# 107 GLU  H     107 GLU  HG3     4.11             (#peak 3493 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 3493, nxpk= 0, iat=1666,1674, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
# 107 GLU  HA    107 GLU  HG2     3.88             (#peak 3496 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 3496, nxpk= 0, iat=1668,1673, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 107 GLU  HA    107 GLU  HG3     3.88             (#peak 3497 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 3497, nxpk= 0, iat=1668,1674, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 107 GLU  HG3   108 PHE  H       5.38             (#peak 3499 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 3499, nxpk= 0, iat=1674,1681, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  86 GLU  H      86 GLU  HB3     3.59             (#peak 3518 #SUP 0.84 #QF 0.84)
 &rst
  ixpk= 3518, nxpk= 0, iat=1343,1348, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#  86 GLU  HB3    87 ALA  H       3.92             (#peak 3519 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 3519, nxpk= 0, iat=1348,1358, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#  83 GLN  HA     86 GLU  HB2     3.54             (#peak 3524 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 3524, nxpk= 0, iat=1299,1347, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  86 GLU  HA     86 GLU  HG2     3.53             (#peak 3536 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 3536, nxpk= 0, iat=1345,1350, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#  85 GLU  H      86 GLU  HG3     5.50             (#peak 3543 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 3543, nxpk= 0, iat=1328,1351, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  85 GLU  H      86 GLU  HB2     4.78             (#peak 3544 #SUP 0.71 #QF 0.71)
 &rst
  ixpk= 3544, nxpk= 0, iat=1328,1347, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#  85 GLU  HB2    86 GLU  H       4.32             (#peak 3556 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 3556, nxpk= 0, iat=1332,1343, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  16 SER  QB     42 GLU  HG3     4.49             (#peak 3573 #SUP 0.67 #QF 0.67)
 &rst
  ixpk= 3573, nxpk= 0, iat=  -1, 633, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 228, 229,
 &end
#
#  57 ASN  HB2    58 GLN  HG3     4.23             (#peak 3578 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 3578, nxpk= 0, iat= 861, 879, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
#  58 GLN  H      58 GLN  HB2     4.07             (#peak 3583 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 3583, nxpk= 0, iat= 871, 875, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  58 GLN  HA     58 GLN  HG3     4.01             (#peak 3586 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 3586, nxpk= 0, iat= 873, 879, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  58 GLN  HA     58 GLN  HG2     4.01             (#peak 3587 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 3587, nxpk= 0, iat= 873, 878, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  63 GLN  HA     63 GLN  QG      3.65             (#peak 3606 #SUP 1.00)
 &rst
  ixpk= 3606, nxpk= 0, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr2= 962, 963,
 &end
#
#  51 TRP  HE3    63 GLN  QG      4.89             (#peak 3610 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 3610, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 962, 963,
 &end
#
#  51 TRP  HZ3    63 GLN  QG      4.21             (#peak 3611 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 3611, nxpk= 0, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr2= 962, 963,
 &end
#
#  51 TRP  HH2    63 GLN  QG      4.50             (#peak 3612 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 3612, nxpk= 0, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 962, 963,
 &end
#
#  53 THR  QG2    63 GLN  QG      3.76             (#peak 3615 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 3615, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 800, 801, 802,
 igr2= 962, 963,
 &end
#
#  52 ILE  HB     63 GLN  QB      5.50             (#peak 3620 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 3620, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 959, 960,
 &end
#
#  62 PHE  QE     83 GLN  HB3     4.69             (#peak 3629 #SUP 0.99 #QF 0.98)
 &rst
  ixpk= 3629, nxpk= 0, iat=  -1,1302, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 945, 949,
 &end
#
#  83 GLN  HB3    83 GLN  HE21    4.91             (#peak 3629 #SUP 0.99 #QF 0.98)
 &rst
  ixpk= 3629, nxpk= 0, iat=1302,1310, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  83 GLN  HB2    83 GLN  HE21    4.38             (#peak 3630 #SUP 0.95 #QF 0.89)
 &rst
  ixpk= 3630, nxpk= 0, iat=1301,1310, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  83 GLN  HA     83 GLN  HG3     3.28             (#peak 3645 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 3645, nxpk= 0, iat=1299,1305, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#  83 GLN  HA     83 GLN  HG2     3.28             (#peak 3646 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 3646, nxpk= 0, iat=1299,1304, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
#  62 PHE  QD     83 GLN  HG3     5.50             (#peak 3653 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 3653, nxpk= 0, iat=  -1,1305, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 943, 951,
 &end
#
#  62 PHE  QD     83 GLN  HG2     4.69             (#peak 3654 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 3654, nxpk= 0, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 943, 951,
 &end
#
#  80 ALA  HA     83 GLN  HG2     5.09             (#peak 3661 #SUP 0.89 #QF 0.89)
 &rst
  ixpk= 3661, nxpk= 0, iat=1251,1304, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#  83 GLN  HG3    86 GLU  HG3     4.51             (#peak 3674 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 3674, nxpk= 0, iat=1305,1351, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  83 GLN  HG2    86 GLU  HG3     4.21             (#peak 3675 #SUP 0.72 #QF 0.72)
 &rst
  ixpk= 3675, nxpk= 0, iat=1304,1351, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  92 GLN  HA     92 GLN  HG3     4                (#peak 3684 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 3684, nxpk= 0, iat=1451,1457, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  34 TYR  HB2    92 GLN  HG3     4.65             (#peak 3694 #SUP 0.67 #QF 0.29)
 &rst
  ixpk= 3694, nxpk= 0, iat= 507,1457, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#  91 ARG  HD3    92 GLN  HG3     5.36             (#peak 3694 #SUP 0.67 #QF 0.29)
 &rst
  ixpk= 3694, nxpk= 0, iat=1436,1457, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#  91 ARG  HD3    92 GLN  HG2     4.18             (#peak 3695 #SUP 0.76 #QF 0.76)
 &rst
  ixpk= 3695, nxpk= 0, iat=1436,1456, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#  92 GLN  QB     93 ILE  HA      4.29             (#peak 3700 #SUP 0.62 #QF 0.62)
 &rst
  ixpk= 3700, nxpk= 0, iat=  -1,1468, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1=1453,1454,
 &end
#
#  95 GLN  H      95 GLN  HB3     3.73             (#peak 3706 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 3706, nxpk= 0, iat=1499,1504, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#  95 GLN  HA     95 GLN  HB3     2.93             (#peak 3719 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 3719, nxpk= 0, iat=1501,1504, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
#  95 GLN  HB2    96 ALA  QB      4.48             (#peak 3727 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 3727, nxpk= 0, iat=1503,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1520,1521,1522,
 &end
#
#  95 GLN  HB3    96 ALA  QB      5.03             (#peak 3730 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 3730, nxpk= 0, iat=1504,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2=1520,1521,1522,
 &end
#
#  74 GLU  HB3    75 LYS  QD      4.08             (#peak 3731 #SUP 0.57 #QF 0.57)
 &rst
  ixpk= 3731, nxpk= 0, iat=1161,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1181,1182,
 &end
#
#  88 LEU  HB3    92 GLN  HG2     4.57             (#peak 3735 #SUP 0.23 #QF 0.23)
 &rst
  ixpk= 3735, nxpk= 0, iat=1373,1456, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#  92 GLN  HG3    93 ILE  HB      4.63             (#peak 3736 #SUP 0.58 #QF 0.58)
 &rst
  ixpk= 3736, nxpk= 0, iat=1457,1470, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  92 GLN  HG3    93 ILE  QG2     5.27             (#peak 3740 #SUP 0.78 #QF 0.78)
 &rst
  ixpk= 3740, nxpk= 0, iat=1457,  -1, r1= 1.30, r2= 1.80, r3= 6.33, r4= 6.83,
 igr2=1472,1473,1474,
 &end
#
#  21 ASP  HA     24 ARG  QB      3.77             (#peak 3747 #SUP 0.71 #QF 0.71)
 &rst
  ixpk= 3747, nxpk= 0, iat= 291,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 346, 347,
 &end
#
#  24 ARG  H      24 ARG  HG3     4.19             (#peak 3752 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 3752, nxpk= 0, iat= 342, 350, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  23 TYR  HB3    24 ARG  HG3     3.91             (#peak 3755 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 3755, nxpk= 0, iat= 326, 350, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#  23 TYR  HB3    24 ARG  HG2     3.91             (#peak 3756 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 3756, nxpk= 0, iat= 326, 349, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#   6 VAL  QQG     7 PRO  HG3     5.00             (#peak 3775 #SUP 0.42 #QF 0.42)
 &rst
  ixpk= 3775, nxpk= 0, iat=  79,  97, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
#  43 ARG  QG     44 PRO  HB2     5.50             (#peak 3778 #SUP 0.66 #QF 0.66)
 &rst
  ixpk= 3778, nxpk= 0, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 647, 648,
 &end
#
#  43 ARG  HA     44 PRO  HB3     5.04             (#peak 3811 #SUP 1.00)
 &rst
  ixpk= 3811, nxpk= 0, iat= 642, 672, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#  16 SER  QB     44 PRO  HB2     4.67             (#peak 3813 #SUP 0.98 #QF 0.33)
 &rst
  ixpk= 3813, nxpk= 0, iat=  -1, 671, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 228, 229,
 &end
#
#   7 PRO  HB3    35 THR  HA      4.5              (#peak 3836 #SUP 0.67 #QF 0.67)
 &rst
  ixpk= 3836, nxpk= 0, iat= 100, 526, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   7 PRO  HB2    35 THR  HA      5.07             (#peak 3837 #SUP 0.87 #QF 0.59)
 &rst
  ixpk= 3837, nxpk= 0, iat=  99, 526, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   7 PRO  HB2    35 THR  HB      5.50             (#peak 3837 #SUP 0.87 #QF 0.59)
 &rst
  ixpk= 3837, nxpk= 0, iat=  99, 528, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   6 VAL  QQG     7 PRO  HB3     5.00             (#peak 3845 #SUP 0.71 #QF 0.71)
 &rst
  ixpk= 3845, nxpk= 0, iat=  79, 100, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
#  18 ILE  HG13   68 PRO  HB3     4.74             (#peak 3847 #SUP 0.94 #QF 0.41)
 &rst
  ixpk= 3847, nxpk= 0, iat= 257,1053, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   6 VAL  QQG     7 PRO  HB2     5.00             (#peak 3848 #SUP 0.76 #QF 0.66)
 &rst
  ixpk= 3848, nxpk= 0, iat=  79,  99, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
#  67 PHE  HA     68 PRO  HB3     5.12             (#peak 3855 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 3855, nxpk= 0, iat=1027,1053, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#  67 PHE  HA     68 PRO  HG3     4.38             (#peak 3856 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 3856, nxpk= 0, iat=1027,1050, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  18 ILE  HG12   68 PRO  HB2     4.38             (#peak 3869 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 3869, nxpk= 0, iat= 256,1052, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
#  18 ILE  HG12   68 PRO  HB3     3.80             (#peak 3871 #SUP 1.00 #QF 0.92)
 &rst
  ixpk= 3871, nxpk= 0, iat= 256,1053, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#  20 HIS  HA     42 GLU  HG2     4.98             (#peak 3911 #SUP 0.60 #QF 0.60)
 &rst
  ixpk= 3911, nxpk= 0, iat= 274, 632, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#  14 THR  HA     42 GLU  HG2     4.01             (#peak 3913 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 3913, nxpk= 0, iat= 196, 632, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#  16 SER  QB     42 GLU  HG2     4.26             (#peak 3915 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 3915, nxpk= 0, iat=  -1, 632, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1= 228, 229,
 &end
#
#  42 GLU  HG2    52 ILE  QD1     4.26             (#peak 3923 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 3923, nxpk= 0, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 788, 789, 790,
 &end
#
#  18 ILE  QD1    66 LEU  HB2     4.16             (#peak 3927 #SUP 0.97 #QF 0.62)
 &rst
  ixpk= 3927, nxpk= 0, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 259, 260, 261,
 &end
#
#  10 LEU  HB3    27 SER  HB3     5.50             (#peak 3932 #SUP 0.94 #QF 0.80)
 &rst
  ixpk= 3932, nxpk= 0, iat= 137, 401, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  49 GLY  HA3    66 LEU  HB3     5.50             (#peak 3932 #SUP 0.94 #QF 0.80)
 &rst
  ixpk= 3932, nxpk= 0, iat= 736,1011, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  10 LEU  HB3    11 THR  HA      4.93             (#peak 3933 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 3933, nxpk= 0, iat= 137, 153, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#  10 LEU  HB3    27 SER  HB2     5.50             (#peak 3934 #SUP 1.00 #QF 0.73)
 &rst
  ixpk= 3934, nxpk= 0, iat= 137, 400, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  50 SER  HB2    66 LEU  HB3     5.50             (#peak 3934 #SUP 1.00 #QF 0.73)
 &rst
  ixpk= 3934, nxpk= 0, iat= 744,1011, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  52 ILE  HG13   66 LEU  HB2     4.95             (#peak 3950 #SUP 1.00 #QF 0.94)
 &rst
  ixpk= 3950, nxpk= 0, iat= 786,1010, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#  52 ILE  QD1    66 LEU  HB2     5.41             (#peak 3950 #SUP 1.00 #QF 0.94)
 &rst
  ixpk= 3950, nxpk= 0, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 788, 789, 790,
 &end
#
#  52 ILE  HG13   66 LEU  HB3     4.81             (#peak 3951 #SUP 1.00 #QF 0.97)
 &rst
  ixpk= 3951, nxpk= 0, iat= 786,1011, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#  52 ILE  QD1    66 LEU  HB3     5.13             (#peak 3951 #SUP 1.00 #QF 0.97)
 &rst
  ixpk= 3951, nxpk= 0, iat=  -1,1011, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 788, 789, 790,
 &end
#
#  52 ILE  HG13   66 LEU  QD2     4.00             (#peak 3954 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 3954, nxpk= 0, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1019,1020,1021,
 &end
#
#  66 LEU  HB3    66 LEU  QD2     3.18             (#peak 3957 #SUP 0.99 #QF 0.97)
 &rst
  ixpk= 3957, nxpk= 0, iat=1011,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=1019,1020,1021,
 &end
#
#  66 LEU  HB2    66 LEU  QD2     3.32             (#peak 3959 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 3959, nxpk= 0, iat=1010,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2=1019,1020,1021,
 &end
#
#  66 LEU  QD2    73 PHE  QD      3.69             (#peak 3960 #SUP 0.92 #QF 0.85)
 &rst
  ixpk= 3960, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1=1019,1020,1021,
 igr2=1144,1152,
 &end
#
#  22 PHE  QD     66 LEU  QD2     3.55             (#peak 3961 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 3961, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 309, 317,
 igr2=1019,1020,1021,
 &end
#
#  66 LEU  QD2    67 PHE  H       4.68             (#peak 3962 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 3962, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr1=1019,1020,1021,
 &end
#
#  66 LEU  H      66 LEU  QD2     4.28             (#peak 3963 #SUP 0.57 #QF 0.57)
 &rst
  ixpk= 3963, nxpk= 0, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1019,1020,1021,
 &end
#
#  66 LEU  HA     66 LEU  QD2     3.84             (#peak 3972 #SUP 0.96 #QF 0.90)
 &rst
  ixpk= 3972, nxpk= 0, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1019,1020,1021,
 &end
#
#  66 LEU  HA     66 LEU  QD1     3.84             (#peak 3974 #SUP 0.94 #QF 0.94)
 &rst
  ixpk= 3974, nxpk= 0, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1015,1016,1017,
 &end
#
#  66 LEU  HG     76 THR  QG2     3.87             (#peak 3981 #SUP 1.00 #QF 0.99)
 &rst
  ixpk= 3981, nxpk= 0, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2=1199,1200,1201,
 &end
#
#  66 LEU  HA     66 LEU  HG      4.21             (#peak 3982 #SUP 1.00)
 &rst
  ixpk= 3982, nxpk= 0, iat=1008,1013, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  66 LEU  HB3    66 LEU  QD1     3.18             (#peak 3989 #SUP 0.99 #QF 0.94)
 &rst
  ixpk= 3989, nxpk= 0, iat=1011,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=1015,1016,1017,
 &end
#
#  66 LEU  HB2    66 LEU  QD1     3.32             (#peak 3991 #SUP 0.95 #QF 0.27)
 &rst
  ixpk= 3991, nxpk= 0, iat=1010,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2=1015,1016,1017,
 &end
#
#  52 ILE  HG13   66 LEU  QD1     4.00             (#peak 3993 #SUP 0.97 #QF 0.90)
 &rst
  ixpk= 3993, nxpk= 0, iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1015,1016,1017,
 &end
#
#  66 LEU  H      66 LEU  QD1     4.28             (#peak 3995 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 3995, nxpk= 0, iat=1006,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1015,1016,1017,
 &end
#
#  88 LEU  HB2    93 ILE  HG13    4.00             (#peak 4023 #SUP 0.40 #QF 0.40)
 &rst
  ixpk= 4023, nxpk= 0, iat=1372,1477, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  62 PHE  QD     83 GLN  HB2     4.28             (#peak 4071 #SUP 0.35 #QF 0.35)
 &rst
  ixpk= 4071, nxpk= 0, iat=  -1,1301, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1= 943, 951,
 &end
#
#  85 GLU  H      85 GLU  HB3     3.67             (#peak 4076 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 4076, nxpk= 0, iat=1328,1333, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#  85 GLU  HB3    86 GLU  H       4.32             (#peak 4077 #SUP 0.77 #QF 0.77)
 &rst
  ixpk= 4077, nxpk= 0, iat=1333,1343, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#  62 PHE  QD     83 GLN  HB3     4.22             (#peak 4081 #SUP 0.55 #QF 0.55)
 &rst
  ixpk= 4081, nxpk= 0, iat=  -1,1302, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 943, 951,
 &end
#
#  75 LYS  HB3    76 THR  H       4.19             (#peak 4090 #SUP 1.00)
 &rst
  ixpk= 4090, nxpk= 0, iat=1176,1193, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#  74 GLU  HB3    75 LYS  HA      4.12             (#peak 4097 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 4097, nxpk= 0, iat=1161,1173, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#  75 LYS  HA     75 LYS  HG2     4.05             (#peak 4101 #SUP 1.00)
 &rst
  ixpk= 4101, nxpk= 0, iat=1173,1178, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#  75 LYS  HA     75 LYS  HG3     4.03             (#peak 4102 #SUP 1.00)
 &rst
  ixpk= 4102, nxpk= 0, iat=1173,1179, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  75 LYS  HG2    75 LYS  QE      3.45             (#peak 4106 #SUP 1.00)
 &rst
  ixpk= 4106, nxpk= 0, iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2=1184,1185,
 &end
#
#  74 GLU  HB3    75 LYS  HG2     5.50             (#peak 4114 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 4114, nxpk= 0, iat=1161,1178, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  74 GLU  HB3    75 LYS  HG3     3.88             (#peak 4115 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 4115, nxpk= 0, iat=1161,1179, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#  74 GLU  HB2    75 LYS  HG3     5.50             (#peak 4116 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 4116, nxpk= 0, iat=1160,1179, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  72 ASP  HB3    75 LYS  QD      4.34             (#peak 4122 #SUP 0.35 #QF 0.35)
 &rst
  ixpk= 4122, nxpk= 0, iat=1129,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2=1181,1182,
 &end
#
#  74 GLU  HB2    75 LYS  QD      4.58             (#peak 4124 #SUP 0.72 #QF 0.72)
 &rst
  ixpk= 4124, nxpk= 0, iat=1160,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2=1181,1182,
 &end
#
#  75 LYS  HG3    75 LYS  QD      2.56             (#peak 4125 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 4125, nxpk= 0, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 2.87, r4= 3.37,
 igr2=1181,1182,
 &end
#
#  75 LYS  HG2    75 LYS  QD      2.71             (#peak 4126 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 4126, nxpk= 0, iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
 igr2=1181,1182,
 &end
#
#  72 ASP  H      75 LYS  QD      4.86             (#peak 4131 #SUP 0.79 #QF 0.58)
 &rst
  ixpk= 4131, nxpk= 0, iat=1124,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2=1181,1182,
 &end
#
#  73 PHE  H      75 LYS  QD      5.28             (#peak 4131 #SUP 0.79 #QF 0.58)
 &rst
  ixpk= 4131, nxpk= 0, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2=1181,1182,
 &end
#
#  72 ASP  HA     75 LYS  QD      4.17             (#peak 4134 #SUP 0.58 #QF 0.58)
 &rst
  ixpk= 4134, nxpk= 0, iat=1126,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1181,1182,
 &end
#
#  75 LYS  HB3    75 LYS  QD      3.26             (#peak 4138 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 4138, nxpk= 0, iat=1176,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2=1181,1182,
 &end
#
#  75 LYS  HB2    75 LYS  QD      3.54             (#peak 4139 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 4139, nxpk= 0, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr2=1181,1182,
 &end
#
#  75 LYS  HA     75 LYS  QE      4.24             (#peak 4140 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 4140, nxpk= 0, iat=1173,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=1184,1185,
 &end
#
#  75 LYS  QD     75 LYS  QE      2.51             (#peak 4141 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 4141, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,
 igr1=1181,1182,
 igr2=1184,1185,
 &end
#
#  75 LYS  HG3    75 LYS  QE      3.26             (#peak 4142 #SUP 0.82 #QF 0.82)
 &rst
  ixpk= 4142, nxpk= 0, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr2=1184,1185,
 &end
#
#  75 LYS  HB2    75 LYS  QE      4.02             (#peak 4144 #SUP 0.88 #QF 0.88)
 &rst
  ixpk= 4144, nxpk= 0, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2=1184,1185,
 &end
#
#  75 LYS  HB3    75 LYS  QE      4.48             (#peak 4145 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 4145, nxpk= 0, iat=1176,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=1184,1185,
 &end
#
#  74 GLU  HA     75 LYS  QE      5.17             (#peak 4150 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 4150, nxpk= 0, iat=1158,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1184,1185,
 &end
#
#  75 LYS  HA     75 LYS  QD      4.13             (#peak 4159 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 4159, nxpk= 0, iat=1173,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2=1181,1182,
 &end
#
#  14 THR  HB     42 GLU  HB2     4.39             (#peak 4160 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 4160, nxpk= 0, iat= 198, 629, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#  42 GLU  HB2    50 SER  HA      4.68             (#peak 4161 #SUP 0.70 #QF 0.70)
 &rst
  ixpk= 4161, nxpk= 0, iat= 629, 742, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#  16 SER  QB     42 GLU  HB2     4.85             (#peak 4163 #SUP 0.97 #QF 0.58)
 &rst
  ixpk= 4163, nxpk= 0, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 228, 229,
 &end
#
#  29 LYS  HA     29 LYS  QG      3.52             (#peak 4173 #SUP 0.98 #QF 0.98)
 &rst
  ixpk= 4173, nxpk= 0, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 426, 427,
 &end
#
#  28 ASP  HB2    29 LYS  QD      4.42             (#peak 4175 #SUP 0.65 #QF 0.65)
 &rst
  ixpk= 4175, nxpk= 0, iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 429, 430,
 &end
#
#  29 LYS  HA     29 LYS  QD      4.37             (#peak 4176 #SUP 0.64 #QF 0.64)
 &rst
  ixpk= 4176, nxpk= 0, iat= 421,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 429, 430,
 &end
#
#   6 VAL  HB      7 PRO  HD3     3.55             (#peak 4192 #SUP 1.00 #QF 0.80)
 &rst
  ixpk= 4192, nxpk= 0, iat=  80,  94, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
# 103 LEU  HG    104 ALA  HA      3.48             (#peak 4196 #SUP 0.63 #QF 0.63)
 &rst
  ixpk= 4196, nxpk= 0, iat=1615,1629, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#  24 ARG  HA     24 ARG  HG3     4.03             (#peak 4198 #SUP 0.99 #QF 0.99)
 &rst
  ixpk= 4198, nxpk= 0, iat= 344, 350, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#  26 PHE  HZ     30 TRP  HH2     4.13             (#peak 20 #SUP 0.72 #QF 0.72)
 &rst
  ixpk= 20, nxpk= 0, iat= 388, 456, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#  26 PHE  HZ     40 ILE  QG1     5.36             (#peak 21 #SUP 0.93 #QF 0.71)
 &rst
  ixpk= 21, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 602, 603,
 &end
#
#  26 PHE  HZ     80 ALA  QB      5.50             (#peak 21 #SUP 0.93 #QF 0.71)
 &rst
  ixpk= 21, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1253,1254,1255,
 &end
#
#  26 PHE  HZ     84 THR  QG2     4.14             (#peak 24 #SUP 0.31 #QF 0.31)
 &rst
  ixpk= 24, nxpk= 0, iat= 388,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=1320,1321,1322,
 &end
#
#  10 LEU  HB3    23 TYR  QE      3.94             (#peak 31 #SUP 0.75 #QF 0.75)
 &rst
  ixpk= 31, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr2= 331, 336,
 &end
#
#  23 TYR  QE     40 ILE  HB      4.43             (#peak 34 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 34, nxpk= 0, iat=  -1, 596, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 331, 336,
 &end
#
#  12 ASP  HA     23 TYR  QE      4.34             (#peak 36 #SUP 0.96 #QF 0.76)
 &rst
  ixpk= 36, nxpk= 0, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 331, 336,
 &end
#
#  26 PHE  QE     38 LEU  QD2     4.31             (#peak 47 #SUP 0.98 #QF 0.91)
 &rst
  ixpk= 47, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 386, 390,
 igr2= 572, 573, 574,
 &end
#
#  22 PHE  QE     26 PHE  QD      3.98             (#peak 48 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 48, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 311, 315,
 igr2= 384, 392,
 &end
#
#  26 PHE  QD     29 LYS  QG      5.50             (#peak 51 #SUP 0.91 #QF 0.30)
 &rst
  ixpk= 51, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 384, 392,
 igr2= 426, 427,
 &end
#
#  26 PHE  QE     81 LEU  HB3     5.50             (#peak 51 #SUP 0.91 #QF 0.30)
 &rst
  ixpk= 51, nxpk= 0, iat=  -1,1264, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 386, 390,
 &end
#
#  30 TRP  HZ2    34 TYR  QE      3.41             (#peak 54 #SUP 1.00 #QF 0.33)
 &rst
  ixpk= 54, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 513, 518,
 &end
#
#  32 SER  HA     34 TYR  QE      4.53             (#peak 57 #SUP 0.89 #QF 0.34)
 &rst
  ixpk= 57, nxpk= 0, iat= 482,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 513, 518,
 &end
#
#  34 TYR  QE     36 GLY  HA3     4.81             (#peak 57 #SUP 0.89 #QF 0.34)
 &rst
  ixpk= 57, nxpk= 0, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 513, 518,
 &end
#
#  34 TYR  QE     36 GLY  HA2     4.36             (#peak 58 #SUP 0.67 #QF 0.67)
 &rst
  ixpk= 58, nxpk= 0, iat=  -1, 540, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 513, 518,
 &end
#
#  34 TYR  QE     56 VAL  QQG     3.81             (#peak 61 #SUP 0.76 #QF 0.69)
 &rst
  ixpk= 61, nxpk= 0, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 6.48, r4= 6.98,
 igr1= 513, 518,
 &end
#
#  22 PHE  QE     52 ILE  HG13    4.14             (#peak 66 #SUP 0.59 #QF 0.59)
 &rst
  ixpk= 66, nxpk= 0, iat=  -1, 786, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 311, 315,
 &end
#
#  22 PHE  QE     40 ILE  QG1     3.99             (#peak 68 #SUP 1.00 #QF 0.98)
 &rst
  ixpk= 68, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 311, 315,
 igr2= 602, 603,
 &end
#
#  30 TRP  HH2    85 GLU  HA      4.47             (#peak 77 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 77, nxpk= 0, iat= 456,1330, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#  30 TRP  HH2    38 LEU  QD2     4.87             (#peak 78 #SUP 0.92 #QF 0.92)
 &rst
  ixpk= 78, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 572, 573, 574,
 &end
#
#  30 TRP  HH2    88 LEU  QD1     4.89             (#peak 79 #SUP 0.21 #QF 0.21)
 &rst
  ixpk= 79, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2=1377,1378,1379,
 &end
#
#  30 TRP  HH2    84 THR  QG2     4.00             (#peak 80 #SUP 0.74 #QF 0.74)
 &rst
  ixpk= 80, nxpk= 0, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1320,1321,1322,
 &end
#
#  22 PHE  QD     73 PHE  QD      4.72             (#peak 84 #SUP 0.88 #QF 0.36)
 &rst
  ixpk= 84, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 309, 317,
 igr2=1144,1152,
 &end
#
#  22 PHE  QD     73 PHE  QE      4.89             (#peak 84 #SUP 0.88 #QF 0.36)
 &rst
  ixpk= 84, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 309, 317,
 igr2=1146,1150,
 &end
#
#  22 PHE  HA     22 PHE  QD      4.12             (#peak 87 #SUP 0.80 #QF 0.80)
 &rst
  ixpk= 87, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 309, 317,
 &end
#
#  22 PHE  QD     52 ILE  QG2     3.53             (#peak 90 #SUP 0.79 #QF 0.79)
 &rst
  ixpk= 90, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 309, 317,
 igr2= 781, 782, 783,
 &end
#
#  22 PHE  QD     66 LEU  QD1     3.55             (#peak 91 #SUP 0.93 #QF 0.93)
 &rst
  ixpk= 91, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1= 309, 317,
 igr2=1015,1016,1017,
 &end
#
#  22 PHE  QD     40 ILE  QG1     4.32             (#peak 92 #SUP 1.00 #QF 0.98)
 &rst
  ixpk= 92, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 309, 317,
 igr2= 602, 603,
 &end
#
#  22 PHE  QD     76 THR  QG2     4.64             (#peak 92 #SUP 1.00 #QF 0.98)
 &rst
  ixpk= 92, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 309, 317,
 igr2=1199,1200,1201,
 &end
#
#  23 TYR  H      23 TYR  QD      4.19             (#peak 97 #SUP 0.65 #QF 0.65)
 &rst
  ixpk= 97, nxpk= 0, iat= 321,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 329, 338,
 &end
#
#  23 TYR  QD     24 ARG  HA      3.99             (#peak 103 #SUP 0.86 #QF 0.86)
 &rst
  ixpk= 103, nxpk= 0, iat=  -1, 344, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 329, 338,
 &end
#
#  10 LEU  HB3    23 TYR  QD      4.38             (#peak 108 #SUP 0.96 #QF 0.59)
 &rst
  ixpk= 108, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr2= 329, 338,
 &end
#
#  23 TYR  QD     40 ILE  QG1     4.75             (#peak 108 #SUP 0.96 #QF 0.59)
 &rst
  ixpk= 108, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 329, 338,
 igr2= 602, 603,
 &end
#
#  21 ASP  HB2    73 PHE  HZ      4.21             (#peak 114 #SUP 0.45 #QF 0.45)
 &rst
  ixpk= 114, nxpk= 0, iat= 293,1148, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#  22 PHE  HA     73 PHE  HZ      4.04             (#peak 115 #SUP 0.81 #QF 0.81)
 &rst
  ixpk= 115, nxpk= 0, iat= 303,1148, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#  62 PHE  QD     80 ALA  QB      4.19             (#peak 122 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 122, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 943, 951,
 igr2=1253,1254,1255,
 &end
#
#  54 ILE  QG2    62 PHE  QD      4.02             (#peak 123 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 123, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr1= 814, 815, 816,
 igr2= 943, 951,
 &end
#
#  10 LEU  QD2    30 TRP  HD1     4.58             (#peak 136 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 136, nxpk= 0, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 145, 146, 147,
 &end
#
#  30 TRP  HA     30 TRP  HZ3     4.50             (#peak 138 #SUP 0.96 #QF 0.96)
 &rst
  ixpk= 138, nxpk= 0, iat= 443, 458, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
# 108 PHE  HA    108 PHE  QD      4.16             (#peak 143 #SUP 0.97 #QF 0.97)
 &rst
  ixpk= 143, nxpk= 0, iat=1683,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2=1689,1697,
 &end
#
#  34 TYR  QD     36 GLY  H       4.21             (#peak 154 #SUP 0.87 #QF 0.87)
 &rst
  ixpk= 154, nxpk= 0, iat=  -1, 538, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,
 igr1= 511, 520,
 &end
#
#  34 TYR  HA     34 TYR  QD      3.84             (#peak 157 #SUP 1.00)
 &rst
  ixpk= 157, nxpk= 0, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 511, 520,
 &end
#
#  34 TYR  QD     93 ILE  HG13    5.15             (#peak 162 #SUP 0.76 #QF 0.76)
 &rst
  ixpk= 162, nxpk= 0, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 511, 520,
 &end
#
#  34 TYR  QD     56 VAL  QQG     4.20             (#peak 163 #SUP 0.83 #QF 0.83)
 &rst
  ixpk= 163, nxpk= 0, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr1= 511, 520,
 &end
#
#  62 PHE  QE     83 GLN  HG2     4.50             (#peak 170 #SUP 0.65 #QF 0.65)
 &rst
  ixpk= 170, nxpk= 0, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 945, 949,
 &end
#
#  54 ILE  QG2    62 PHE  QE      4.21             (#peak 172 #SUP 0.95 #QF 0.95)
 &rst
  ixpk= 172, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 814, 815, 816,
 igr2= 945, 949,
 &end
#
#  13 HIS  HA     13 HIS  HD2     3.54             (#peak 177 #SUP 0.73 #QF 0.73)
 &rst
  ixpk= 177, nxpk= 0, iat= 179, 190, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#  11 THR  QG2    13 HIS  HD2     3.64             (#peak 180 #SUP 0.62 #QF 0.62)
 &rst
  ixpk= 180, nxpk= 0, iat=  -1, 190, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr1= 157, 158, 159,
 &end
#
#  48 ALA  QB     67 PHE  HZ      4.40             (#peak 196 #SUP 0.40 #QF 0.40)
 &rst
  ixpk= 196, nxpk= 0, iat=  -1,1037, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 727, 728, 729,
 &end
#
#  66 LEU  HA     67 PHE  QD      4.11             (#peak 219 #SUP 0.51 #QF 0.51)
 &rst
  ixpk= 219, nxpk= 0, iat=1008,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1033,1041,
 &end
#
#  18 ILE  QD1    67 PHE  QD      4.97             (#peak 221 #SUP 0.50 #QF 0.50)
 &rst
  ixpk= 221, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 259, 260, 261,
 igr2=1033,1041,
 &end
#
# 107 GLU  HA    108 PHE  QD      4.56             (#peak 265 #SUP 0.60 #QF 0.60)
 &rst
  ixpk= 265, nxpk= 0, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1689,1697,
 &end
#
#  51 TRP  HA     51 TRP  HE3     4.07             (#peak 271 #SUP 0.91 #QF 0.91)
 &rst
  ixpk= 271, nxpk= 0, iat= 753, 770, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#  34 TYR  QE     61 ILE  QD1     4.97             (#peak 277 #SUP 0.65 #QF 0.65)
 &rst
  ixpk= 277, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 513, 518,
 igr2= 929, 930, 931,
 &end
#
#   3 GLU  H       3 GLU  QB      3.50             (#peak 460)
 &rst
  ixpk= 460, nxpk= 0, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  34,  35,
 &end
#
#   3 GLU  H       3 GLU  QG      5                (#peak 459)
 &rst
  ixpk= 459, nxpk= 0, iat=  30,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=  37,  38,
 &end
#
#   3 GLU  HA      3 GLU  QG      4                (#peak 270)
 &rst
  ixpk= 270, nxpk= 0, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  37,  38,
 &end
#
#   3 GLU  QB      4 VAL  H       5.00             (#peak 984)
 &rst
  ixpk= 984, nxpk= 0, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  34,  35,
 &end
#
#   3 GLU  QG      4 VAL  H       5.00             (#peak 986)
 &rst
  ixpk= 986, nxpk= 0, iat=  -1,  45, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  37,  38,
 &end
#
#   4 VAL  QQG     5 GLU  QG      5                (#peak 261)
 &rst
  ixpk= 261, nxpk= 0, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr2=  68,  69,
 &end
#
#   5 GLU  H       5 GLU  QB      4                (#peak 1435)
 &rst
  ixpk= 1435, nxpk= 0, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  65,  66,
 &end
#
#   5 GLU  H       5 GLU  QG      4                (#peak 636)
 &rst
  ixpk= 636, nxpk= 0, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=  68,  69,
 &end
#
#   5 GLU  QB      6 VAL  H       5                (#peak 249)
 &rst
  ixpk= 249, nxpk= 0, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  65,  66,
 &end
#
#   5 GLU  QG      6 VAL  H       5                (#peak 1773)
 &rst
  ixpk= 1773, nxpk= 0, iat=  -1,  76, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=  68,  69,
 &end
#
#   7 PRO  HB2     9 LEU  QQD     5.09             (#peak 3848)
 &rst
  ixpk= 3848, nxpk= 0, iat=  99, 119, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,  &end
#
#   7 PRO  HB2    37 ASN  QB      5.18             (#peak 3843)
 &rst
  ixpk= 3843, nxpk= 0, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2= 549, 550,
 &end
#
#   8 GLY  HA2     9 LEU  QQD     5                (#peak 1392)
 &rst
  ixpk= 1392, nxpk= 0, iat= 108, 119, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
#   9 LEU  H       9 LEU  QQD     3.20             (#peak 1385)
 &rst
  ixpk= 1385, nxpk= 0, iat= 113, 119, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   9 LEU  HA      9 LEU  QQD     3.40             (#peak 1877)
 &rst
  ixpk= 1877, nxpk= 0, iat= 115, 119, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#   9 LEU  QB      9 LEU  QQD     2.58             (#peak 1380)
 &rst
  ixpk= 1380, nxpk= 0, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 117, 118,
 &end
#
#   9 LEU  QB     37 ASN  QB      4.80             (#peak 369)
 &rst
  ixpk= 369, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 117, 118,
 igr2= 549, 550,
 &end
#
#   9 LEU  QQD    10 LEU  H       3.67             (#peak 794)
 &rst
  ixpk= 794, nxpk= 0, iat= 119, 132, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#   9 LEU  QQD    10 LEU  HA      3.99             (#peak 1860)
 &rst
  ixpk= 1860, nxpk= 0, iat= 119, 134, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,  &end
#
#   9 LEU  QQD    11 THR  H       4.45             (#peak 1821)
 &rst
  ixpk= 1821, nxpk= 0, iat= 119, 151, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,  &end
#
#   9 LEU  QQD    37 ASN  H       5                (#peak 801)
 &rst
  ixpk= 801, nxpk= 0, iat= 119, 545, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
#   9 LEU  QQD    37 ASN  QB      3.70             (#peak 1934)
 &rst
  ixpk= 1934, nxpk= 0, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2= 549, 550,
 &end
#
#   9 LEU  QD1    37 ASN  HB3     6.04             (#peak 1934)
 &rst
  ixpk= 1934, nxpk= 0, iat=  -1, 550, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr1= 122, 123, 124,
 &end
#
#   9 LEU  QD2    37 ASN  HB2     6.04             (#peak 1934)
 &rst
  ixpk= 1934, nxpk= 0, iat=  -1, 549, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr1= 126, 127, 128,
 &end
#
#   9 LEU  QQD    37 ASN  HD21    4.51             (#peak 1970)
 &rst
  ixpk= 1970, nxpk= 0, iat= 119, 555, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,  &end
#
#   9 LEU  QQD    37 ASN  HD22    4.94             (#peak 1622)
 &rst
  ixpk= 1622, nxpk= 0, iat= 119, 554, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,  &end
#
#   9 LEU  QQD    38 LEU  H       3.68             (#peak 1786)
 &rst
  ixpk= 1786, nxpk= 0, iat= 119, 559, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,  &end
#
#   9 LEU  QQD    38 LEU  HB2     4.90             (#peak 379)
 &rst
  ixpk= 379, nxpk= 0, iat= 119, 563, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,  &end
#
#   9 LEU  QQD    38 LEU  HB3     4.75             (#peak 380)
 &rst
  ixpk= 380, nxpk= 0, iat= 119, 564, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,  &end
#
#   9 LEU  QQD    39 THR  H       4.49             (#peak 294)
 &rst
  ixpk= 294, nxpk= 0, iat= 119, 578, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,  &end
#
#   9 LEU  QQD    39 THR  HA      4.35             (#peak 1621)
 &rst
  ixpk= 1621, nxpk= 0, iat= 119, 580, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,  &end
#
#   9 LEU  QQD    39 THR  HB      3.97             (#peak 1902)
 &rst
  ixpk= 1902, nxpk= 0, iat= 119, 582, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,  &end
#
#   9 LEU  QQD    57 ASN  H       4.37             (#peak 80)
 &rst
  ixpk= 80, nxpk= 0, iat= 119, 857, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,  &end
#
#   9 LEU  QQD    57 ASN  HA      3.81             (#peak 1886)
 &rst
  ixpk= 1886, nxpk= 0, iat= 119, 859, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,  &end
#
#   9 LEU  QQD    57 ASN  HB3     5.07             (#peak 1936)
 &rst
  ixpk= 1936, nxpk= 0, iat= 119, 862, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,  &end
#
#   9 LEU  QQD    57 ASN  HD22    4.84             (#peak 1925)
 &rst
  ixpk= 1925, nxpk= 0, iat= 119, 866, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,  &end
#
#  10 LEU  H      38 LEU  QQD     4.55             (#peak 771)
 &rst
  ixpk= 771, nxpk= 0, iat= 132, 565, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,  &end
#
#  10 LEU  HA     38 LEU  QQD     4.26             (#peak 1264)
 &rst
  ixpk= 1264, nxpk= 0, iat= 134, 565, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,  &end
#
#  10 LEU  HB2    27 SER  QB      5.02             (#peak 1693)
 &rst
  ixpk= 1693, nxpk= 0, iat= 136,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 400, 401,
 &end
#
#  10 LEU  HB2    38 LEU  QQD     4.60             (#peak 1292)
 &rst
  ixpk= 1292, nxpk= 0, iat= 136, 565, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,  &end
#
#  10 LEU  HB3    27 SER  QB      4.77             (#peak 3934)
 &rst
  ixpk= 3934, nxpk= 0, iat= 137,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 400, 401,
 &end
#
#  10 LEU  HG     38 LEU  QQD     3.30             (#peak 1286)
 &rst
  ixpk= 1286, nxpk= 0, iat= 139, 565, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  10 LEU  QD1    27 SER  QB      3.08             (#peak 1351)
 &rst
  ixpk= 1351, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 141, 142, 143,
 igr2= 400, 401,
 &end
#
#  10 LEU  QD1    38 LEU  QQD     2.70             (#peak 1298)
 &rst
  ixpk= 1298, nxpk= 0, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1= 141, 142, 143,
 &end
#
#  10 LEU  QD2    27 SER  QB      3.59             (#peak 1350)
 &rst
  ixpk= 1350, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1= 145, 146, 147,
 igr2= 400, 401,
 &end
#
#  10 LEU  QD2    30 TRP  QB      4.34             (#peak 1357)
 &rst
  ixpk= 1357, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 145, 146, 147,
 igr2= 445, 446,
 &end
#
#  14 THR  HA     15 VAL  QQG     3.70             (#peak 2169)
 &rst
  ixpk= 2169, nxpk= 0, iat= 196, 211, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
#  15 VAL  H      15 VAL  QQG     3.08             (#peak 2157)
 &rst
  ixpk= 2157, nxpk= 0, iat= 208, 211, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  15 VAL  QQG    42 GLU  H       4.91             (#peak 2160)
 &rst
  ixpk= 2160, nxpk= 0, iat= 211, 625, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,  &end
#
#  15 VAL  QQG    42 GLU  HG3     3.86             (#peak 2525)
 &rst
  ixpk= 2525, nxpk= 0, iat= 211, 633, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,  &end
#
#  15 VAL  QQG    43 ARG  HA      5.00             (#peak 2166)
 &rst
  ixpk= 2166, nxpk= 0, iat= 211, 642, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
#  15 VAL  QQG    44 PRO  HB2     4.39             (#peak 2456)
 &rst
  ixpk= 2456, nxpk= 0, iat= 211, 671, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,  &end
#
#  15 VAL  QQG    44 PRO  HB3     4.27             (#peak 3816)
 &rst
  ixpk= 3816, nxpk= 0, iat= 211, 672, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,  &end
#
#  15 VAL  QQG    44 PRO  HG2     5.00             (#peak 3799)
 &rst
  ixpk= 3799, nxpk= 0, iat= 211, 668, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
#  15 VAL  QQG    44 PRO  HG3     5.00             (#peak 3780)
 &rst
  ixpk= 3780, nxpk= 0, iat= 211, 669, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
#  15 VAL  QQG    44 PRO  HD2     4.40             (#peak 2174)
 &rst
  ixpk= 2174, nxpk= 0, iat= 211, 665, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  15 VAL  QQG    44 PRO  HD3     4.40             (#peak 789)
 &rst
  ixpk= 789, nxpk= 0, iat= 211, 666, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,  &end
#
#  18 ILE  HB     66 LEU  QQD     4.05             (#peak 3294)
 &rst
  ixpk= 3294, nxpk= 0, iat= 250,1012, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,  &end
#
#  18 ILE  QG2    68 PRO  QG      4.33             (#peak 3863)
 &rst
  ixpk= 3863, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 252, 253, 254,
 igr2=1049,1050,
 &end
#
#  18 ILE  QD1    68 PRO  QG      4.08             (#peak 3255)
 &rst
  ixpk= 3255, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 259, 260, 261,
 igr2=1049,1050,
 &end
#
#  19 GLY  HA2    66 LEU  QQD     3.96             (#peak 3977)
 &rst
  ixpk= 3977, nxpk= 0, iat= 267,1012, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  19 GLY  HA3    66 LEU  QQD     4.29             (#peak 201)
 &rst
  ixpk= 201, nxpk= 0, iat= 268,1012, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,  &end
#
#  22 PHE  H      66 LEU  QQD     4.19             (#peak 321)
 &rst
  ixpk= 321, nxpk= 0, iat= 301,1012, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,  &end
#
#  22 PHE  HA     77 VAL  QQG     3.29             (#peak 491)
 &rst
  ixpk= 491, nxpk= 0, iat= 303,1210, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#  22 PHE  HB2    66 LEU  QQD     3.74             (#peak 3978)
 &rst
  ixpk= 3978, nxpk= 0, iat= 305,1012, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,  &end
#
#  22 PHE  QD     66 LEU  QQD     3.09             (#peak 91)
 &rst
  ixpk= 91, nxpk= 0, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 309, 317,
 &end
#
#  22 PHE  QD     77 VAL  QQG     4.52             (#peak 840)
 &rst
  ixpk= 840, nxpk= 0, iat=  -1,1210, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 309, 317,
 &end
#
#  22 PHE  QE     77 VAL  QQG     4.39             (#peak 839)
 &rst
  ixpk= 839, nxpk= 0, iat=  -1,1210, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 311, 315,
 &end
#
#  22 PHE  HZ     77 VAL  QQG     4.92             (#peak 839)
 &rst
  ixpk= 839, nxpk= 0, iat= 313,1210, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,  &end
#
#  23 TYR  HB3    24 ARG  QG      3.27             (#peak 3755)
 &rst
  ixpk= 3755, nxpk= 0, iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr2= 349, 350,
 &end
#
#  23 TYR  QD     24 ARG  QG      4.10             (#peak 107)
 &rst
  ixpk= 107, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 329, 338,
 igr2= 349, 350,
 &end
#
#  23 TYR  QD     27 SER  QB      4.93             (#peak 725)
 &rst
  ixpk= 725, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 329, 338,
 igr2= 400, 401,
 &end
#
#  24 ARG  H      24 ARG  QG      3.44             (#peak 467)
 &rst
  ixpk= 467, nxpk= 0, iat= 342,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 349, 350,
 &end
#
#  24 ARG  HA     24 ARG  QG      3.48             (#peak 2312)
 &rst
  ixpk= 2312, nxpk= 0, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 349, 350,
 &end
#
#  24 ARG  HA     27 SER  QB      4.39             (#peak 718)
 &rst
  ixpk= 718, nxpk= 0, iat= 344,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 400, 401,
 &end
#
#  24 ARG  QG     25 ALA  H       4                (#peak 1093)
 &rst
  ixpk= 1093, nxpk= 0, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 349, 350,
 &end
#
#  25 ALA  H      77 VAL  QQG     4.47             (#peak 1089)
 &rst
  ixpk= 1089, nxpk= 0, iat= 366,1210, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,  &end
#
#  25 ALA  HA     77 VAL  QQG     4.69             (#peak 847)
 &rst
  ixpk= 847, nxpk= 0, iat= 368,1210, r1= 1.30, r2= 1.80, r3= 6.89, r4= 7.39,  &end
#
#  26 PHE  H      77 VAL  QQG     3.36             (#peak 831)
 &rst
  ixpk= 831, nxpk= 0, iat= 376,1210, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,  &end
#
#  26 PHE  HA     29 LYS  QB      5.34             (#peak 4170)
 &rst
  ixpk= 4170, nxpk= 0, iat= 378,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 423, 424,
 &end
#
#  26 PHE  HA     77 VAL  QQG     3.23             (#peak 849)
 &rst
  ixpk= 849, nxpk= 0, iat= 378,1210, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#  26 PHE  HB3    77 VAL  QQG     4.07             (#peak 853)
 &rst
  ixpk= 853, nxpk= 0, iat= 381,1210, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,  &end
#
#  26 PHE  QD     77 VAL  QQG     3.98             (#peak 841)
 &rst
  ixpk= 841, nxpk= 0, iat=  -1,1210, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 384, 392,
 &end
#
#  26 PHE  QE     38 LEU  QQD     3.71             (#peak 47)
 &rst
  ixpk= 47, nxpk= 0, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 386, 390,
 &end
#
#  27 SER  H      27 SER  QB      3.08             (#peak 558)
 &rst
  ixpk= 558, nxpk= 0, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2= 400, 401,
 &end
#
#  27 SER  HA     30 TRP  QB      3.75             (#peak 31)
 &rst
  ixpk= 31, nxpk= 0, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr2= 445, 446,
 &end
#
#  27 SER  HA     38 LEU  QQD     5.41             (#peak 1305)
 &rst
  ixpk= 1305, nxpk= 0, iat= 398, 565, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,  &end
#
#  27 SER  QB     28 ASP  H       3.59             (#peak 1150)
 &rst
  ixpk= 1150, nxpk= 0, iat=  -1, 407, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 400, 401,
 &end
#
#  27 SER  QB     30 TRP  HD1     5.15             (#peak 724)
 &rst
  ixpk= 724, nxpk= 0, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 400, 401,
 &end
#
#  27 SER  QB     40 ILE  QD1     5.34             (#peak 594)
 &rst
  ixpk= 594, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1= 400, 401,
 igr2= 605, 606, 607,
 &end
#
#  29 LYS  H      29 LYS  QB      3.42             (#peak 2506)
 &rst
  ixpk= 2506, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 423, 424,
 &end
#
#  29 LYS  H      30 TRP  QB      4.35             (#peak 1648)
 &rst
  ixpk= 1648, nxpk= 0, iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 445, 446,
 &end
#
#  29 LYS  H      77 VAL  QQG     4.95             (#peak 1654)
 &rst
  ixpk= 1654, nxpk= 0, iat= 419,1210, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,  &end
#
#  29 LYS  QB     29 LYS  QD      2.79             (#peak 3016)
 &rst
  ixpk= 3016, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 423, 424,
 igr2= 429, 430,
 &end
#
#  29 LYS  QB     30 TRP  H       3.95             (#peak 1695)
 &rst
  ixpk= 1695, nxpk= 0, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 423, 424,
 &end
#
#  29 LYS  QB     81 LEU  QD1     3.08             (#peak 1144)
 &rst
  ixpk= 1144, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr1= 423, 424,
 igr2=1268,1269,1270,
 &end
#
#  29 LYS  QB     81 LEU  QD2     3.39             (#peak 994)
 &rst
  ixpk= 994, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 423, 424,
 igr2=1272,1273,1274,
 &end
#
#  29 LYS  QG     77 VAL  QQG     4.29             (#peak 859)
 &rst
  ixpk= 859, nxpk= 0, iat=  -1,1210, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr1= 426, 427,
 &end
#
#  29 LYS  QD     77 VAL  QQG     4.07             (#peak 858)
 &rst
  ixpk= 858, nxpk= 0, iat=  -1,1210, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1= 429, 430,
 &end
#
#  29 LYS  QD     78 VAL  QQG     5.13             (#peak 1005)
 &rst
  ixpk= 1005, nxpk= 0, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46,
 igr1= 429, 430,
 &end
#
#  29 LYS  QE     77 VAL  QQG     4.70             (#peak 851)
 &rst
  ixpk= 851, nxpk= 0, iat=  -1,1210, r1= 1.30, r2= 1.80, r3= 7.48, r4= 7.98,
 igr1= 432, 433,
 &end
#
#  29 LYS  QE     78 VAL  QQG     3.76             (#peak 980)
 &rst
  ixpk= 980, nxpk= 0, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 432, 433,
 &end
#
#  30 TRP  QB     30 TRP  HD1     3.31             (#peak 54)
 &rst
  ixpk= 54, nxpk= 0, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,
 igr1= 445, 446,
 &end
#
#  30 TRP  QB     31 GLU  H       4.00             (#peak 1543)
 &rst
  ixpk= 1543, nxpk= 0, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr1= 445, 446,
 &end
#
#  30 TRP  QB     81 LEU  QD1     5.28             (#peak 1162)
 &rst
  ixpk= 1162, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,
 igr1= 445, 446,
 igr2=1268,1269,1270,
 &end
#
#  30 TRP  QB     81 LEU  QD2     3.49             (#peak 517)
 &rst
  ixpk= 517, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 445, 446,
 igr2=1272,1273,1274,
 &end
#
#  30 TRP  HD1    38 LEU  QQD     4.19             (#peak 1277)
 &rst
  ixpk= 1277, nxpk= 0, iat= 449, 565, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,  &end
#
#  30 TRP  HE1    32 SER  QB      4.15             (#peak 57)
 &rst
  ixpk= 57, nxpk= 0, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr2= 484, 485,
 &end
#
#  30 TRP  HE1    38 LEU  QQD     3.75             (#peak 60)
 &rst
  ixpk= 60, nxpk= 0, iat= 451, 565, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#  30 TRP  HZ3    32 SER  QB      4.63             (#peak 1731)
 &rst
  ixpk= 1731, nxpk= 0, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 484, 485,
 &end
#
#  30 TRP  HZ3    38 LEU  QQD     3.97             (#peak 1276)
 &rst
  ixpk= 1276, nxpk= 0, iat= 458, 565, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,  &end
#
#  30 TRP  HZ3    85 GLU  QB      4.83             (#peak 3552)
 &rst
  ixpk= 3552, nxpk= 0, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2=1332,1333,
 &end
#
#  30 TRP  HZ3    85 GLU  QG      4.60             (#peak 2553)
 &rst
  ixpk= 2553, nxpk= 0, iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2=1335,1336,
 &end
#
#  30 TRP  HZ2    32 SER  QB      3.97             (#peak 183)
 &rst
  ixpk= 183, nxpk= 0, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,
 igr2= 484, 485,
 &end
#
#  30 TRP  HZ2    38 LEU  QQD     3.08             (#peak 1274)
 &rst
  ixpk= 1274, nxpk= 0, iat= 454, 565, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  30 TRP  HH2    38 LEU  QQD     3.92             (#peak 1273)
 &rst
  ixpk= 1273, nxpk= 0, iat= 456, 565, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,  &end
#
#  30 TRP  HH2    88 LEU  QQD     3.80             (#peak 79)
 &rst
  ixpk= 79, nxpk= 0, iat= 456,1374, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  31 GLU  H      31 GLU  QB      3.20             (#peak 1846)
 &rst
  ixpk= 1846, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr2= 469, 470,
 &end
#
#  31 GLU  HA     32 SER  QB      5.11             (#peak 1735)
 &rst
  ixpk= 1735, nxpk= 0, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 484, 485,
 &end
#
#  31 GLU  QB     32 SER  H       4.11             (#peak 1582)
 &rst
  ixpk= 1582, nxpk= 0, iat=  -1, 480, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1= 469, 470,
 &end
#
#  32 SER  H      32 SER  QB      3.41             (#peak 1728)
 &rst
  ixpk= 1728, nxpk= 0, iat= 480,  -1, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr2= 484, 485,
 &end
#
#  32 SER  HA     33 ASP  QB      4.59             (#peak 366)
 &rst
  ixpk= 366, nxpk= 0, iat= 482,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2= 495, 496,
 &end
#
#  32 SER  QB     34 TYR  H       3.99             (#peak 388)
 &rst
  ixpk= 388, nxpk= 0, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 484, 485,
 &end
#
#  32 SER  QB     34 TYR  QD      4.07             (#peak 1730)
 &rst
  ixpk= 1730, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 484, 485,
 igr2= 511, 520,
 &end
#
#  33 ASP  H      33 ASP  QB      3.18             (#peak 2091)
 &rst
  ixpk= 2091, nxpk= 0, iat= 491,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2= 495, 496,
 &end
#
#  33 ASP  QB     34 TYR  H       3.94             (#peak 387)
 &rst
  ixpk= 387, nxpk= 0, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 495, 496,
 &end
#
#  33 ASP  QB     93 ILE  QG2     3.68             (#peak 3176)
 &rst
  ixpk= 3176, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 495, 496,
 igr2=1472,1473,1474,
 &end
#
#  33 ASP  QB     93 ILE  QD1     4.18             (#peak 3150)
 &rst
  ixpk= 3150, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr1= 495, 496,
 igr2=1479,1480,1481,
 &end
#
#  34 TYR  H      88 LEU  QQD     5.14             (#peak 386)
 &rst
  ixpk= 386, nxpk= 0, iat= 503,1374, r1= 1.30, r2= 1.80, r3= 7.34, r4= 7.84,  &end
#
#  34 TYR  HB2    88 LEU  QQD     4.09             (#peak 120)
 &rst
  ixpk= 120, nxpk= 0, iat= 507,1374, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,  &end
#
#  34 TYR  HB3    88 LEU  QQD     3.78             (#peak 1517)
 &rst
  ixpk= 1517, nxpk= 0, iat= 508,1374, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,  &end
#
#  34 TYR  QD     88 LEU  QQD     3.07             (#peak 1507)
 &rst
  ixpk= 1507, nxpk= 0, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 511, 520,
 &end
#
#  34 TYR  QE     38 LEU  QQD     4.12             (#peak 1271)
 &rst
  ixpk= 1271, nxpk= 0, iat=  -1, 565, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 513, 518,
 &end
#
#  35 THR  H      88 LEU  QQD     5.5              (#peak 1134)
 &rst
  ixpk= 1134, nxpk= 0, iat= 524,1374, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  37 ASN  H      37 ASN  QB      2.85             (#peak 808)
 &rst
  ixpk= 808, nxpk= 0, iat= 545,  -1, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,
 igr2= 549, 550,
 &end
#
#  37 ASN  H      38 LEU  QQD     4.95             (#peak 800)
 &rst
  ixpk= 800, nxpk= 0, iat= 545, 565, r1= 1.30, r2= 1.80, r3= 7.15, r4= 7.65,  &end
#
#  37 ASN  H      88 LEU  QQD     5.5              (#peak 802)
 &rst
  ixpk= 802, nxpk= 0, iat= 545,1374, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  37 ASN  HA     38 LEU  QQD     3.93             (#peak 1262)
 &rst
  ixpk= 1262, nxpk= 0, iat= 547, 565, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,  &end
#
#  37 ASN  QB     38 LEU  H       3.78             (#peak 358)
 &rst
  ixpk= 358, nxpk= 0, iat=  -1, 559, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 549, 550,
 &end
#
#  37 ASN  QB     56 VAL  QQG     4.32             (#peak 368)
 &rst
  ixpk= 368, nxpk= 0, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 549, 550,
 &end
#
#  37 ASN  QB     57 ASN  H       4.45             (#peak 76)
 &rst
  ixpk= 76, nxpk= 0, iat=  -1, 857, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1= 549, 550,
 &end
#
#  38 LEU  HB2    38 LEU  QQD     3.04             (#peak 1285)
 &rst
  ixpk= 1285, nxpk= 0, iat= 563, 565, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#  38 LEU  HB3    38 LEU  QQD     2.86             (#peak 1288)
 &rst
  ixpk= 1288, nxpk= 0, iat= 564, 565, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#  38 LEU  QQD    39 THR  H       3.96             (#peak 1280)
 &rst
  ixpk= 1280, nxpk= 0, iat= 565, 578, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,  &end
#
#  38 LEU  QQD    39 THR  HA      4.18             (#peak 1283)
 &rst
  ixpk= 1283, nxpk= 0, iat= 565, 580, r1= 1.30, r2= 1.80, r3= 6.38, r4= 6.88,  &end
#
#  38 LEU  QQD    54 ILE  HA      4.90             (#peak 1265)
 &rst
  ixpk= 1265, nxpk= 0, iat= 565, 810, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,  &end
#
#  38 LEU  QQD    54 ILE  HB      4.24             (#peak 1293)
 &rst
  ixpk= 1293, nxpk= 0, iat= 565, 812, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,  &end
#
#  38 LEU  QQD    56 VAL  HA      4.80             (#peak 1302)
 &rst
  ixpk= 1302, nxpk= 0, iat= 565, 843, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  38 LEU  QQD    84 THR  HA      5.5              (#peak 1306)
 &rst
  ixpk= 1306, nxpk= 0, iat= 565,1316, r1= 1.30, r2= 1.80, r3= 7.70, r4= 8.20,  &end
#
#  38 LEU  QQD    84 THR  HB      4.26             (#peak 1303)
 &rst
  ixpk= 1303, nxpk= 0, iat= 565,1318, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,  &end
#
#  38 LEU  QQD    84 THR  QG2     2.78             (#peak 1295)
 &rst
  ixpk= 1295, nxpk= 0, iat= 565,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1320,1321,1322,
 &end
#
#  39 THR  HB     41 ASN  QD2     5                (#peak 1599)
 &rst
  ixpk= 1599, nxpk= 0, iat= 582,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 620, 621,
 &end
#
#  40 ILE  HA     41 ASN  QD2     4.62             (#peak 1608)
 &rst
  ixpk= 1608, nxpk= 0, iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 620, 621,
 &end
#
#  41 ASN  H      41 ASN  QD2     3.57             (#peak 108)
 &rst
  ixpk= 108, nxpk= 0, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr2= 620, 621,
 &end
#
#  41 ASN  HB2    41 ASN  QD2     3.35             (#peak 2008)
 &rst
  ixpk= 2008, nxpk= 0, iat= 615,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr2= 620, 621,
 &end
#
#  41 ASN  HB3    41 ASN  QD2     3.48             (#peak 2007)
 &rst
  ixpk= 2007, nxpk= 0, iat= 616,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 620, 621,
 &end
#
#  41 ASN  QD2    53 THR  HB      4.19             (#peak 2013)
 &rst
  ixpk= 2013, nxpk= 0, iat=  -1, 798, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 620, 621,
 &end
#
#  41 ASN  QD2    53 THR  QG2     4.34             (#peak 1015)
 &rst
  ixpk= 1015, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr1= 620, 621,
 igr2= 800, 801, 802,
 &end
#
#  41 ASN  QD2    54 ILE  HA      4.48             (#peak 2015)
 &rst
  ixpk= 2015, nxpk= 0, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 620, 621,
 &end
#
#  41 ASN  QD2    55 THR  H       3.84             (#peak 141)
 &rst
  ixpk= 141, nxpk= 0, iat=  -1, 827, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr1= 620, 621,
 &end
#
#  41 ASN  QD2    55 THR  QG2     3.32             (#peak 2012)
 &rst
  ixpk= 2012, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 620, 621,
 igr2= 833, 834, 835,
 &end
#
#  42 GLU  HA     43 ARG  QB      4.61             (#peak 3515)
 &rst
  ixpk= 3515, nxpk= 0, iat= 627,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 644, 645,
 &end
#
#  42 GLU  HB2    50 SER  HB2     5.5              (#peak 2926)
 &rst
  ixpk= 2926, nxpk= 0, iat= 629, 744, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  42 GLU  HB2    50 SER  HB3     5.5              (#peak 2926)
 &rst
  ixpk= 2926, nxpk= 0, iat= 629, 745, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  42 GLU  HB2    66 LEU  QQD     5.01             (#peak 4164)
 &rst
  ixpk= 4164, nxpk= 0, iat= 629,1012, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,  &end
#
#  42 GLU  HB3    66 LEU  QQD     5.22             (#peak 650)
 &rst
  ixpk= 650, nxpk= 0, iat= 630,1012, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92,  &end
#
#  42 GLU  HG3    50 SER  HB2     5.10             (#peak 2925)
 &rst
  ixpk= 2925, nxpk= 0, iat= 633, 744, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  42 GLU  HG3    50 SER  HB3     5.5              (#peak 2925)
 &rst
  ixpk= 2925, nxpk= 0, iat= 633, 745, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  43 ARG  H      51 TRP  QB      4.19             (#peak 1747)
 &rst
  ixpk= 1747, nxpk= 0, iat= 640,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr2= 755, 756,
 &end
#
#  43 ARG  QB     43 ARG  QD      3.39             (#peak 2386)
 &rst
  ixpk= 2386, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,
 igr1= 644, 645,
 igr2= 650, 651,
 &end
#
#  43 ARG  QB     44 PRO  HD2     4.06             (#peak 2385)
 &rst
  ixpk= 2385, nxpk= 0, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr1= 644, 645,
 &end
#
#  43 ARG  QB     44 PRO  HD3     4.86             (#peak 2384)
 &rst
  ixpk= 2384, nxpk= 0, iat=  -1, 666, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr1= 644, 645,
 &end
#
#  43 ARG  QB     51 TRP  H       3.73             (#peak 1714)
 &rst
  ixpk= 1714, nxpk= 0, iat=  -1, 751, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 644, 645,
 &end
#
#  43 ARG  QB     51 TRP  QB      3.51             (#peak 3141)
 &rst
  ixpk= 3141, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 644, 645,
 igr2= 755, 756,
 &end
#
#  45 SER  QB     47 ARG  QG      3.73             (#peak 1595)
 &rst
  ixpk= 1595, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 682, 683,
 igr2= 706, 707,
 &end
#
#  46 ALA  HA     47 ARG  QG      4.58             (#peak 1601)
 &rst
  ixpk= 1601, nxpk= 0, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 706, 707,
 &end
#
#  47 ARG  H      47 ARG  QG      3.17             (#peak 697)
 &rst
  ixpk= 697, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,
 igr2= 706, 707,
 &end
#
#  47 ARG  HA     47 ARG  QG      3.42             (#peak 1418)
 &rst
  ixpk= 1418, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2= 706, 707,
 &end
#
#  47 ARG  QG     48 ALA  H       3.36             (#peak 1208)
 &rst
  ixpk= 1208, nxpk= 0, iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 706, 707,
 &end
#
#  47 ARG  QG     49 GLY  H       4.05             (#peak 1328)
 &rst
  ixpk= 1328, nxpk= 0, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr1= 706, 707,
 &end
#
#  49 GLY  H      68 PRO  QG      5.35             (#peak 1331)
 &rst
  ixpk= 1331, nxpk= 0, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2=1049,1050,
 &end
#
#  49 GLY  HA3    68 PRO  QG      5.33             (#peak 218)
 &rst
  ixpk= 218, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr2=1049,1050,
 &end
#
#  50 SER  H      50 SER  QB      3.60             (#peak 1466)
 &rst
  ixpk= 1466, nxpk= 0, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 744, 745,
 &end
#
#  50 SER  QB     51 TRP  H       3.51             (#peak 1757)
 &rst
  ixpk= 1757, nxpk= 0, iat=  -1, 751, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1= 744, 745,
 &end
#
#  50 SER  QB     52 ILE  HG12    5.34             (#peak 2927)
 &rst
  ixpk= 2927, nxpk= 0, iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 744, 745,
 &end
#
#  50 SER  QB     52 ILE  QD1     4.15             (#peak 467)
 &rst
  ixpk= 467, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 744, 745,
 igr2= 788, 789, 790,
 &end
#
#  50 SER  QB     66 LEU  HB2     4.36             (#peak 2942)
 &rst
  ixpk= 2942, nxpk= 0, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 744, 745,
 &end
#
#  50 SER  QB     66 LEU  QQD     5.22             (#peak 3979)
 &rst
  ixpk= 3979, nxpk= 0, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 8.06, r4= 8.56,
 igr1= 744, 745,
 &end
#
#  51 TRP  QB     51 TRP  HE3     3.54             (#peak 270)
 &rst
  ixpk= 270, nxpk= 0, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,
 igr1= 755, 756,
 &end
#
#  52 ILE  HB     66 LEU  QQD     4.11             (#peak 2686)
 &rst
  ixpk= 2686, nxpk= 0, iat= 779,1012, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,  &end
#
#  52 ILE  HG12   66 LEU  QQD     3.15             (#peak 3991)
 &rst
  ixpk= 3991, nxpk= 0, iat= 785,1012, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  52 ILE  HG13   66 LEU  QQD     3.15             (#peak 3993)
 &rst
  ixpk= 3993, nxpk= 0, iat= 786,1012, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#  52 ILE  QD1    66 LEU  QQD     3.18             (#peak 459)
 &rst
  ixpk= 459, nxpk= 0, iat=  -1,1012, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr1= 788, 789, 790,
 &end
#
#  53 THR  HB     60 VAL  QQG     4.46             (#peak 321)
 &rst
  ixpk= 321, nxpk= 0, iat= 798, 903, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,  &end
#
#  53 THR  QG2    60 VAL  QQG     3.02             (#peak 982)
 &rst
  ixpk= 982, nxpk= 0, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 800, 801, 802,
 &end
#
#  55 THR  HA     60 VAL  QQG     4.84             (#peak 286)
 &rst
  ixpk= 286, nxpk= 0, iat= 829, 903, r1= 1.30, r2= 1.80, r3= 7.04, r4= 7.54,  &end
#
#  56 VAL  HB     59 ASP  QB      4.17             (#peak 2466)
 &rst
  ixpk= 2466, nxpk= 0, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 892, 893,
 &end
#
#  56 VAL  HB     88 LEU  QQD     5.21             (#peak 2472)
 &rst
  ixpk= 2472, nxpk= 0, iat= 845,1374, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,  &end
#
#  56 VAL  QQG    59 ASP  QB      4.15             (#peak 3052)
 &rst
  ixpk= 3052, nxpk= 0, iat= 844,  -1, r1= 1.30, r2= 1.80, r3= 6.86, r4= 7.36,
 igr2= 892, 893,
 &end
#
#  56 VAL  QQG    88 LEU  QQD     2.74             (#peak 975)
 &rst
  ixpk= 975, nxpk= 0, iat= 844,1374, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,  &end
#
#  57 ASN  HB3    58 GLN  QG      4.26             (#peak 3577)
 &rst
  ixpk= 3577, nxpk= 0, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 878, 879,
 &end
#
#  57 ASN  HD21   58 GLN  QG      5.34             (#peak 3592)
 &rst
  ixpk= 3592, nxpk= 0, iat= 867,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 878, 879,
 &end
#
#  58 GLN  H      58 GLN  QG      3.06             (#peak 2193)
 &rst
  ixpk= 2193, nxpk= 0, iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,
 igr2= 878, 879,
 &end
#
#  58 GLN  H      59 ASP  QB      4.45             (#peak 484)
 &rst
  ixpk= 484, nxpk= 0, iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 892, 893,
 &end
#
#  58 GLN  HA     58 GLN  QG      3.48             (#peak 3587)
 &rst
  ixpk= 3587, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr2= 878, 879,
 &end
#
#  58 GLN  QG     59 ASP  H       3.77             (#peak 789)
 &rst
  ixpk= 789, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 878, 879,
 &end
#
#  58 GLN  QG     59 ASP  QB      4.02             (#peak 3598)
 &rst
  ixpk= 3598, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 878, 879,
 igr2= 892, 893,
 &end
#
#  59 ASP  H      59 ASP  QB      2.83             (#peak 793)
 &rst
  ixpk= 793, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
 igr2= 892, 893,
 &end
#
#  59 ASP  QB     60 VAL  H       3.41             (#peak 356)
 &rst
  ixpk= 356, nxpk= 0, iat=  -1, 900, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,
 igr1= 892, 893,
 &end
#
#  59 ASP  QB     60 VAL  QQG     4.57             (#peak 1775)
 &rst
  ixpk= 1775, nxpk= 0, iat=  -1, 903, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 892, 893,
 &end
#
#  59 ASP  QB     61 ILE  QG2     5.02             (#peak 2736)
 &rst
  ixpk= 2736, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr1= 892, 893,
 igr2= 922, 923, 924,
 &end
#
#  60 VAL  H      60 VAL  QQG     2.77             (#peak 360)
 &rst
  ixpk= 360, nxpk= 0, iat= 900, 903, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#  60 VAL  QQG    61 ILE  H       3.37             (#peak 231)
 &rst
  ixpk= 231, nxpk= 0, iat= 903, 916, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,  &end
#
#  60 VAL  QQG    63 GLN  QB      3.32             (#peak 2390)
 &rst
  ixpk= 2390, nxpk= 0, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 959, 960,
 &end
#
#  60 VAL  QQG    63 GLN  QG      3.91             (#peak 3616)
 &rst
  ixpk= 3616, nxpk= 0, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2= 962, 963,
 &end
#
#  60 VAL  QQG    63 GLN  HE21    5.02             (#peak 1955)
 &rst
  ixpk= 1955, nxpk= 0, iat= 903, 968, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,  &end
#
#  60 VAL  QQG    63 GLN  HE22    4.64             (#peak 2001)
 &rst
  ixpk= 2001, nxpk= 0, iat= 903, 967, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,  &end
#
#  61 ILE  HG12   88 LEU  QQD     4.37             (#peak 974)
 &rst
  ixpk= 974, nxpk= 0, iat= 926,1374, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,  &end
#
#  61 ILE  HG13   88 LEU  QQD     4.91             (#peak 2023)
 &rst
  ixpk= 2023, nxpk= 0, iat= 927,1374, r1= 1.30, r2= 1.80, r3= 7.11, r4= 7.61,  &end
#
#  61 ILE  QD1    88 LEU  QQD     3.12             (#peak 2261)
 &rst
  ixpk= 2261, nxpk= 0, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr1= 929, 930, 931,
 &end
#
#  65 PHE  QB     66 LEU  H       3.87             (#peak 2122)
 &rst
  ixpk= 2122, nxpk= 0, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr1= 990, 991,
 &end
#
#  66 LEU  HA     66 LEU  QQD     3.10             (#peak 3972)
 &rst
  ixpk= 3972, nxpk= 0, iat=1008,1012, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#  66 LEU  HB3    66 LEU  QQD     2.67             (#peak 3989)
 &rst
  ixpk= 3989, nxpk= 0, iat=1011,1012, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#  66 LEU  QQD    67 PHE  H       3.67             (#peak 3962)
 &rst
  ixpk= 3962, nxpk= 0, iat=1012,1025, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  66 LEU  QQD    67 PHE  HA      4.96             (#peak 3970)
 &rst
  ixpk= 3970, nxpk= 0, iat=1012,1027, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,  &end
#
#  66 LEU  QQD    73 PHE  HA      3.67             (#peak 3964)
 &rst
  ixpk= 3964, nxpk= 0, iat=1012,1138, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
#  66 LEU  QQD    73 PHE  HB2     3.85             (#peak 3966)
 &rst
  ixpk= 3966, nxpk= 0, iat=1012,1140, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,  &end
#
#  66 LEU  QQD    73 PHE  HB3     5.44             (#peak 3979)
 &rst
  ixpk= 3979, nxpk= 0, iat=1012,1141, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,  &end
#
#  66 LEU  QQD    73 PHE  QD      3.21             (#peak 3960)
 &rst
  ixpk= 3960, nxpk= 0, iat=1012,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1144,1152,
 &end
#
#  66 LEU  QQD    73 PHE  QE      4.05             (#peak 1526)
 &rst
  ixpk= 1526, nxpk= 0, iat=1012,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr2=1146,1150,
 &end
#
#  66 LEU  QQD    76 THR  HB      3.65             (#peak 3972)
 &rst
  ixpk= 3972, nxpk= 0, iat=1012,1197, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,  &end
#
#  66 LEU  QQD    76 THR  QG2     3.36             (#peak 3957)
 &rst
  ixpk= 3957, nxpk= 0, iat=1012,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2=1199,1200,1201,
 &end
#
#  66 LEU  QQD    77 VAL  H       4.51             (#peak 1242)
 &rst
  ixpk= 1242, nxpk= 0, iat=1012,1207, r1= 1.30, r2= 1.80, r3= 6.71, r4= 7.21,  &end
#
#  66 LEU  QQD    77 VAL  QQG     4.02             (#peak 3956)
 &rst
  ixpk= 3956, nxpk= 0, iat=1012,1210, r1= 1.30, r2= 1.80, r3= 8.42, r4= 8.92,  &end
#
#  67 PHE  HB3    68 PRO  QG      5.04             (#peak 3858)
 &rst
  ixpk= 3858, nxpk= 0, iat=1030,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2=1049,1050,
 &end
#
#  67 PHE  HB3    69 LEU  QB      4.30             (#peak 1057)
 &rst
  ixpk= 1057, nxpk= 0, iat=1030,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2=1063,1064,
 &end
#
#  68 PRO  QG     69 LEU  QB      4.87             (#peak 3802)
 &rst
  ixpk= 3802, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=1049,1050,
 igr2=1063,1064,
 &end
#
#  68 PRO  QG     69 LEU  QQD     5.13             (#peak 3829)
 &rst
  ixpk= 3829, nxpk= 0, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 7.96, r4= 8.46,
 igr1=1049,1050,
 &end
#
#  68 PRO  QG     70 LYS  H       4.52             (#peak 3769)
 &rst
  ixpk= 3769, nxpk= 0, iat=  -1,1078, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1=1049,1050,
 &end
#
#  69 LEU  HA     69 LEU  QQD     3.90             (#peak 570)
 &rst
  ixpk= 570, nxpk= 0, iat=1061,1065, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
#  69 LEU  QB     69 LEU  QQD     2.80             (#peak 1199)
 &rst
  ixpk= 1199, nxpk= 0, iat=  -1,1065, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1063,1064,
 &end
#
#  72 ASP  H      72 ASP  QB      3.00             (#peak 2169)
 &rst
  ixpk= 2169, nxpk= 0, iat=1124,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=1128,1129,
 &end
#
#  72 ASP  QB     73 PHE  H       4.45             (#peak 923)
 &rst
  ixpk= 923, nxpk= 0, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1128,1129,
 &end
#
#  72 ASP  QB     75 LYS  HB2     3.75             (#peak 2437)
 &rst
  ixpk= 2437, nxpk= 0, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1=1128,1129,
 &end
#
#  72 ASP  QB     75 LYS  HB3     4.66             (#peak 3362)
 &rst
  ixpk= 3362, nxpk= 0, iat=  -1,1176, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1=1128,1129,
 &end
#
#  72 ASP  QB     75 LYS  QD      3.80             (#peak 3360)
 &rst
  ixpk= 3360, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr1=1128,1129,
 igr2=1181,1182,
 &end
#
#  72 ASP  QB     76 THR  QG2     5.34             (#peak 934)
 &rst
  ixpk= 934, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=1128,1129,
 igr2=1199,1200,1201,
 &end
#
#  73 PHE  QD     77 VAL  QQG     4.11             (#peak 495)
 &rst
  ixpk= 495, nxpk= 0, iat=  -1,1210, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1144,1152,
 &end
#
#  73 PHE  HZ     77 VAL  QQG     4.78             (#peak 838)
 &rst
  ixpk= 838, nxpk= 0, iat=1148,1210, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,  &end
#
#  74 GLU  HA     77 VAL  QQG     3.75             (#peak 3319)
 &rst
  ixpk= 3319, nxpk= 0, iat=1158,1210, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,  &end
#
#  74 GLU  HA     78 VAL  QQG     4.38             (#peak 1000)
 &rst
  ixpk= 1000, nxpk= 0, iat=1158,1226, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,  &end
#
#  74 GLU  QG     78 VAL  QQG     3.86             (#peak 978)
 &rst
  ixpk= 978, nxpk= 0, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1163,1164,
 &end
#
#  75 LYS  HA     78 VAL  QQG     3.44             (#peak 987)
 &rst
  ixpk= 987, nxpk= 0, iat=1173,1226, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,  &end
#
#  76 THR  H      77 VAL  QQG     4.63             (#peak 1176)
 &rst
  ixpk= 1176, nxpk= 0, iat=1193,1210, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,  &end
#
#  76 THR  H      78 VAL  QQG     4.86             (#peak 997)
 &rst
  ixpk= 997, nxpk= 0, iat=1193,1226, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,  &end
#
#  76 THR  HB     77 VAL  QQG     4.08             (#peak 493)
 &rst
  ixpk= 493, nxpk= 0, iat=1197,1210, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,  &end
#
#  77 VAL  H      77 VAL  QQG     2.80             (#peak 1240)
 &rst
  ixpk= 1240, nxpk= 0, iat=1207,1210, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  77 VAL  H      78 VAL  QQG     4.35             (#peak 1244)
 &rst
  ixpk= 1244, nxpk= 0, iat=1207,1226, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,  &end
#
#  77 VAL  HA     78 VAL  QQG     5.09             (#peak 1017)
 &rst
  ixpk= 1017, nxpk= 0, iat=1209,1226, r1= 1.30, r2= 1.80, r3= 7.29, r4= 7.79,  &end
#
#  77 VAL  HB     78 VAL  QQG     3.63             (#peak 1804)
 &rst
  ixpk= 1804, nxpk= 0, iat=1211,1226, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  77 VAL  QQG    78 VAL  H       3.38             (#peak 1423)
 &rst
  ixpk= 1423, nxpk= 0, iat=1210,1223, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,  &end
#
#  77 VAL  QQG    78 VAL  HA      4.04             (#peak 2932)
 &rst
  ixpk= 2932, nxpk= 0, iat=1210,1225, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,  &end
#
#  77 VAL  QQG    79 ALA  H       5.18             (#peak 832)
 &rst
  ixpk= 832, nxpk= 0, iat=1210,1239, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,  &end
#
#  77 VAL  QQG    80 ALA  H       4.80             (#peak 833)
 &rst
  ixpk= 833, nxpk= 0, iat=1210,1249, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,  &end
#
#  77 VAL  QQG    80 ALA  QB      4.31             (#peak 3396)
 &rst
  ixpk= 3396, nxpk= 0, iat=1210,  -1, r1= 1.30, r2= 1.80, r3= 7.38, r4= 7.88,
 igr2=1253,1254,1255,
 &end
#
#  77 VAL  QQG    81 LEU  H       4.87             (#peak 609)
 &rst
  ixpk= 609, nxpk= 0, iat=1210,1259, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,  &end
#
#  77 VAL  QQG    81 LEU  HG      3.89             (#peak 3101)
 &rst
  ixpk= 3101, nxpk= 0, iat=1210,1266, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,  &end
#
#  78 VAL  H      78 VAL  QQG     2.71             (#peak 1591)
 &rst
  ixpk= 1591, nxpk= 0, iat=1223,1226, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  78 VAL  HA     78 VAL  QQG     2.74             (#peak 869)
 &rst
  ixpk= 869, nxpk= 0, iat=1225,1226, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#  78 VAL  QQG    79 ALA  QB      4.06             (#peak 553)
 &rst
  ixpk= 553, nxpk= 0, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr2=1243,1244,1245,
 &end
#
#  78 VAL  QQG    80 ALA  H       5.44             (#peak 1009)
 &rst
  ixpk= 1009, nxpk= 0, iat=1226,1249, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,  &end
#
#  78 VAL  QQG    81 LEU  H       4.60             (#peak 604)
 &rst
  ixpk= 604, nxpk= 0, iat=1226,1259, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,  &end
#
#  78 VAL  QQG    81 LEU  HG      3.92             (#peak 1229)
 &rst
  ixpk= 1229, nxpk= 0, iat=1226,1266, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,  &end
#
#  78 VAL  QQG    81 LEU  QD1     3.43             (#peak 1143)
 &rst
  ixpk= 1143, nxpk= 0, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2=1268,1269,1270,
 &end
#
#  82 ILE  HA     85 GLU  QB      4.59             (#peak 3550)
 &rst
  ixpk= 3550, nxpk= 0, iat=1280,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr2=1332,1333,
 &end
#
#  82 ILE  QG2    85 GLU  QG      4.44             (#peak 3168)
 &rst
  ixpk= 3168, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1284,1285,1286,
 igr2=1335,1336,
 &end
#
#  84 THR  H      85 GLU  QG      4.39             (#peak 732)
 &rst
  ixpk= 732, nxpk= 0, iat=1314,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2=1335,1336,
 &end
#
#  84 THR  HA     88 LEU  QQD     4.33             (#peak 960)
 &rst
  ixpk= 960, nxpk= 0, iat=1316,1374, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,  &end
#
#  84 THR  HB     85 GLU  QB      4.56             (#peak 4085)
 &rst
  ixpk= 4085, nxpk= 0, iat=1318,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2=1332,1333,
 &end
#
#  84 THR  HB     88 LEU  QQD     5.44             (#peak 695)
 &rst
  ixpk= 695, nxpk= 0, iat=1318,1374, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,  &end
#
#  84 THR  QG2    88 LEU  QQD     3.37             (#peak 975)
 &rst
  ixpk= 975, nxpk= 0, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=1320,1321,1322,
 &end
#
#  85 GLU  H      85 GLU  QB      3.01             (#peak 1368)
 &rst
  ixpk= 1368, nxpk= 0, iat=1328,  -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
 igr2=1332,1333,
 &end
#
#  85 GLU  H      85 GLU  QG      2.92             (#peak 1367)
 &rst
  ixpk= 1367, nxpk= 0, iat=1328,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr2=1335,1336,
 &end
#
#  85 GLU  H      88 LEU  QQD     4.87             (#peak 954)
 &rst
  ixpk= 954, nxpk= 0, iat=1328,1374, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,  &end
#
#  85 GLU  HA     85 GLU  QG      3.42             (#peak 2558)
 &rst
  ixpk= 2558, nxpk= 0, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr2=1335,1336,
 &end
#
#  85 GLU  HA     88 LEU  QQD     3.77             (#peak 958)
 &rst
  ixpk= 958, nxpk= 0, iat=1330,1374, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,  &end
#
#  85 GLU  QB     86 GLU  H       3.65             (#peak 4077)
 &rst
  ixpk= 4077, nxpk= 0, iat=  -1,1343, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,
 igr1=1332,1333,
 &end
#
#  85 GLU  QB     88 LEU  QQD     5.28             (#peak 966)
 &rst
  ixpk= 966, nxpk= 0, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
 igr1=1332,1333,
 &end
#
#  85 GLU  QB     89 ASN  H       4.42             (#peak 1857)
 &rst
  ixpk= 1857, nxpk= 0, iat=  -1,1387, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1=1332,1333,
 &end
#
#  85 GLU  QB     89 ASN  HA      5.50             (#peak 4087)
 &rst
  ixpk= 4087, nxpk= 0, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1332,1333,
 &end
#
#  85 GLU  QB     89 ASN  HB2     5.5              (#peak 2646)
 &rst
  ixpk= 2646, nxpk= 0, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1332,1333,
 &end
#
#  85 GLU  QB     89 ASN  HD21    4.26             (#peak 1485)
 &rst
  ixpk= 1485, nxpk= 0, iat=  -1,1397, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1=1332,1333,
 &end
#
#  85 GLU  QB     89 ASN  HD22    4.03             (#peak 1936)
 &rst
  ixpk= 1936, nxpk= 0, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,
 igr1=1332,1333,
 &end
#
#  85 GLU  QB     93 ILE  QD1     5                (#peak 3147)
 &rst
  ixpk= 3147, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1332,1333,
 igr2=1479,1480,1481,
 &end
#
#  85 GLU  QG     86 GLU  H       3.92             (#peak 2551)
 &rst
  ixpk= 2551, nxpk= 0, iat=  -1,1343, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1335,1336,
 &end
#
#  85 GLU  QG     88 LEU  QQD     5.28             (#peak 966)
 &rst
  ixpk= 966, nxpk= 0, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
 igr1=1335,1336,
 &end
#
#  85 GLU  QG     89 ASN  H       5.34             (#peak 1855)
 &rst
  ixpk= 1855, nxpk= 0, iat=  -1,1387, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1335,1336,
 &end
#
#  85 GLU  QG     89 ASN  HB2     5.00             (#peak 2653)
 &rst
  ixpk= 2653, nxpk= 0, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1=1335,1336,
 &end
#
#  85 GLU  QG     89 ASN  HD22    4.26             (#peak 1937)
 &rst
  ixpk= 1937, nxpk= 0, iat=  -1,1396, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr1=1335,1336,
 &end
#
#  85 GLU  QG     93 ILE  QD1     5                (#peak 3149)
 &rst
  ixpk= 3149, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1335,1336,
 igr2=1479,1480,1481,
 &end
#
#  87 ALA  H      88 LEU  QQD     4.25             (#peak 919)
 &rst
  ixpk= 919, nxpk= 0, iat=1358,1374, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,  &end
#
#  87 ALA  QB     88 LEU  QQD     3.45             (#peak 969)
 &rst
  ixpk= 969, nxpk= 0, iat=  -1,1374, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1=1362,1363,1364,
 &end
#
#  88 LEU  H      88 LEU  QQD     3.42             (#peak 950)
 &rst
  ixpk= 950, nxpk= 0, iat=1368,1374, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
#  88 LEU  HA     88 LEU  QQD     3.55             (#peak 2887)
 &rst
  ixpk= 2887, nxpk= 0, iat=1370,1374, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,  &end
#
#  88 LEU  HB2    88 LEU  QQD     2.81             (#peak 1521)
 &rst
  ixpk= 1521, nxpk= 0, iat=1372,1374, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#  88 LEU  QQD    89 ASN  H       4.06             (#peak 1864)
 &rst
  ixpk= 1864, nxpk= 0, iat=1374,1387, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,  &end
#
#  88 LEU  QQD    90 ARG  H       5.44             (#peak 955)
 &rst
  ixpk= 955, nxpk= 0, iat=1374,1401, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,  &end
#
#  88 LEU  QQD    91 ARG  HD2     4.21             (#peak 806)
 &rst
  ixpk= 806, nxpk= 0, iat=1374,1435, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,  &end
#
#  88 LEU  QQD    92 GLN  H       5.44             (#peak 1331)
 &rst
  ixpk= 1331, nxpk= 0, iat=1374,1449, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,  &end
#
#  88 LEU  QQD    93 ILE  H       5.44             (#peak 1331)
 &rst
  ixpk= 1331, nxpk= 0, iat=1374,1466, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,  &end
#
#  88 LEU  QQD    93 ILE  HG13    5.02             (#peak 970)
 &rst
  ixpk= 970, nxpk= 0, iat=1374,1477, r1= 1.30, r2= 1.80, r3= 7.22, r4= 7.72,  &end
#
#  92 GLN  HA     95 GLN  QG      4.46             (#peak 1122)
 &rst
  ixpk= 1122, nxpk= 0, iat=1451,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2=1506,1507,
 &end
#
#  94 ASN  H      94 ASN  QB      3.09             (#peak 1911)
 &rst
  ixpk= 1911, nxpk= 0, iat=1485,  -1, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,
 igr2=1489,1490,
 &end
#
#  94 ASN  H      95 GLN  QG      5.34             (#peak 1865)
 &rst
  ixpk= 1865, nxpk= 0, iat=1485,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1506,1507,
 &end
#
#  94 ASN  H      97 LEU  QQD     3.21             (#peak 1873)
 &rst
  ixpk= 1873, nxpk= 0, iat=1485,1532, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#  94 ASN  HA     97 LEU  QB      4.42             (#peak 1548)
 &rst
  ixpk= 1548, nxpk= 0, iat=1487,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2=1530,1531,
 &end
#
#  94 ASN  HA     97 LEU  QQD     4.10             (#peak 1873)
 &rst
  ixpk= 1873, nxpk= 0, iat=1487,1532, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
#  94 ASN  QB     94 ASN  HD21    3.02             (#peak 1938)
 &rst
  ixpk= 1938, nxpk= 0, iat=  -1,1495, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
 igr1=1489,1490,
 &end
#
#  94 ASN  QB     94 ASN  HD22    3.42             (#peak 2635)
 &rst
  ixpk= 2635, nxpk= 0, iat=  -1,1494, r1= 1.30, r2= 1.80, r3= 3.84, r4= 4.34,
 igr1=1489,1490,
 &end
#
#  94 ASN  QB     95 GLN  H       3.53             (#peak 1911)
 &rst
  ixpk= 1911, nxpk= 0, iat=  -1,1499, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1489,1490,
 &end
#
#  94 ASN  QB     95 GLN  QG      4.13             (#peak 3692)
 &rst
  ixpk= 3692, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr1=1489,1490,
 igr2=1506,1507,
 &end
#
#  94 ASN  QB     97 LEU  H       5.34             (#peak 1294)
 &rst
  ixpk= 1294, nxpk= 0, iat=  -1,1526, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1489,1490,
 &end
#
#  94 ASN  QB     97 LEU  QQD     3.97             (#peak 2661)
 &rst
  ixpk= 2661, nxpk= 0, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,
 igr1=1489,1490,
 &end
#
#  94 ASN  HD21   97 LEU  QQD     3.99             (#peak 2029)
 &rst
  ixpk= 2029, nxpk= 0, iat=1495,1532, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,  &end
#
#  94 ASN  HD22   97 LEU  QQD     4.90             (#peak 2019)
 &rst
  ixpk= 2019, nxpk= 0, iat=1494,1532, r1= 1.30, r2= 1.80, r3= 7.10, r4= 7.60,  &end
#
#  95 GLN  H      95 GLN  QG      3.08             (#peak 1915)
 &rst
  ixpk= 1915, nxpk= 0, iat=1499,  -1, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,
 igr2=1506,1507,
 &end
#
#  95 GLN  QG     95 GLN  HE21    3.04             (#peak 1986)
 &rst
  ixpk= 1986, nxpk= 0, iat=  -1,1512, r1= 1.30, r2= 1.80, r3= 3.41, r4= 3.91,
 igr1=1506,1507,
 &end
#
#  95 GLN  QG     95 GLN  HE22    3.59             (#peak 1985)
 &rst
  ixpk= 1985, nxpk= 0, iat=  -1,1511, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1=1506,1507,
 &end
#
#  95 GLN  QG     96 ALA  H       4.17             (#peak 1119)
 &rst
  ixpk= 1119, nxpk= 0, iat=  -1,1516, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr1=1506,1507,
 &end
#
#  96 ALA  H      97 LEU  QB      5.11             (#peak 1905)
 &rst
  ixpk= 1905, nxpk= 0, iat=1516,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2=1530,1531,
 &end
#
#  96 ALA  H      97 LEU  QQD     4.61             (#peak 952)
 &rst
  ixpk= 952, nxpk= 0, iat=1516,1532, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,  &end
#
#  96 ALA  QB     97 LEU  QQD     4.99             (#peak 3394)
 &rst
  ixpk= 3394, nxpk= 0, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 8.19, r4= 8.69,
 igr1=1520,1521,1522,
 &end
#
#  97 LEU  H      97 LEU  QB      2.91             (#peak 1291)
 &rst
  ixpk= 1291, nxpk= 0, iat=1526,  -1, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,
 igr2=1530,1531,
 &end
#
#  97 LEU  H      97 LEU  QQD     3.40             (#peak 1529)
 &rst
  ixpk= 1529, nxpk= 0, iat=1526,1532, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,  &end
#
#  97 LEU  HA     97 LEU  QQD     3.63             (#peak 1572)
 &rst
  ixpk= 1572, nxpk= 0, iat=1528,1532, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,  &end
#
#  97 LEU  QB     97 LEU  QQD     2.58             (#peak 1579)
 &rst
  ixpk= 1579, nxpk= 0, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1530,1531,
 &end
#
#  97 LEU  QB     98 LEU  H       3.5              (#peak 1228)
 &rst
  ixpk= 1228, nxpk= 0, iat=  -1,1545, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1530,1531,
 &end
#
#  97 LEU  QQD    98 LEU  H       3.5              (#peak 1528)
 &rst
  ixpk= 1528, nxpk= 0, iat=1532,1545, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
#  97 LEU  QQD    98 LEU  HA      5                (#peak 4212)
 &rst
  ixpk= 4212, nxpk= 0, iat=1532,1547, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
#  98 LEU  QQD    99 SER  H       5                (#peak 1792)
 &rst
  ixpk= 1792, nxpk= 0, iat=1551,1564, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
#  98 LEU  H      98 LEU  QB      3.07             (#peak 1230)
 &rst
  ixpk= 1230, nxpk= 0, iat=1545,  -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr2=1549,1550,
 &end
#
#  98 LEU  HA     98 LEU  QQD     3.18             (#peak 1563)
 &rst
  ixpk= 1563, nxpk= 0, iat=1547,1551, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#  98 LEU  QB     98 LEU  HG      2.52             (#peak 1608)
 &rst
  ixpk= 1608, nxpk= 0, iat=  -1,1552, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,
 igr1=1549,1550,
 &end
#
#  98 LEU  QB     98 LEU  QQD     2.58             (#peak 1566)
 &rst
  ixpk= 1566, nxpk= 0, iat=  -1,1551, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=1549,1550,
 &end
#
#  98 LEU  QB     99 SER  H       3.36             (#peak 878)
 &rst
  ixpk= 878, nxpk= 0, iat=  -1,1564, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1549,1550,
 &end
#
#  98 LEU  QB     99 SER  QB      5.18             (#peak 1644)
 &rst
  ixpk= 1644, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1=1549,1550,
 igr2=1568,1569,
 &end
#
#  98 LEU  HG     99 SER  QB      5.34             (#peak 1983)
 &rst
  ixpk= 1983, nxpk= 0, iat=1552,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1568,1569,
 &end
#
# 100 THR  HA    101 GLY  QA      5.02             (#peak 189)
 &rst
  ixpk= 189, nxpk= 0, iat=1577,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2=1591,1592,
 &end
#
# 100 THR  HB    101 GLY  QA      5.34             (#peak 189)
 &rst
  ixpk= 189, nxpk= 0, iat=1579,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1591,1592,
 &end
#
# 101 GLY  QA    102 ASP  H       2.89             (#peak 883)
 &rst
  ixpk= 883, nxpk= 0, iat=  -1,1596, r1= 1.30, r2= 1.80, r3= 3.24, r4= 3.74,
 igr1=1591,1592,
 &end
#
# 102 ASP  H     102 ASP  QB      2.79             (#peak 2098)
 &rst
  ixpk= 2098, nxpk= 0, iat=1596,  -1, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,
 igr2=1600,1601,
 &end
#
# 102 ASP  QB    103 LEU  H       3.20             (#peak 1769)
 &rst
  ixpk= 1769, nxpk= 0, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,
 igr1=1600,1601,
 &end
#
# 102 ASP  QB    103 LEU  HA      4.78             (#peak 3467)
 &rst
  ixpk= 3467, nxpk= 0, iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=1600,1601,
 &end
#
# 102 ASP  QB    103 LEU  QB      4.21             (#peak 1554)
 &rst
  ixpk= 1554, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1600,1601,
 igr2=1612,1613,
 &end
#
# 102 ASP  QB    103 LEU  QQD     4.13             (#peak 1802)
 &rst
  ixpk= 1802, nxpk= 0, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 6.84, r4= 7.34,
 igr1=1600,1601,
 &end
#
# 102 ASP  QB    104 ALA  QB      4.69             (#peak 3388)
 &rst
  ixpk= 3388, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1=1600,1601,
 igr2=1631,1632,1633,
 &end
#
# 103 LEU  H     103 LEU  QB      2.73             (#peak 2113)
 &rst
  ixpk= 2113, nxpk= 0, iat=1608,  -1, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,
 igr2=1612,1613,
 &end
#
# 103 LEU  H     103 LEU  QQD     3.73             (#peak 969)
 &rst
  ixpk= 969, nxpk= 0, iat=1608,1614, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,  &end
#
# 103 LEU  HA    103 LEU  QQD     3.80             (#peak 1564)
 &rst
  ixpk= 1564, nxpk= 0, iat=1610,1614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 103 LEU  QB    103 LEU  QQD     2.72             (#peak 1565)
 &rst
  ixpk= 1565, nxpk= 0, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=1612,1613,
 &end
#
# 103 LEU  QB    104 ALA  H       3.60             (#peak 948)
 &rst
  ixpk= 948, nxpk= 0, iat=  -1,1627, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1612,1613,
 &end
#
# 103 LEU  QQD   104 ALA  H       3.47             (#peak 1808)
 &rst
  ixpk= 1808, nxpk= 0, iat=1614,1627, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,  &end
#
# 103 LEU  QQD   104 ALA  HA      4.15             (#peak 1562)
 &rst
  ixpk= 1562, nxpk= 0, iat=1614,1629, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,  &end
#
# 103 LEU  QQD   105 HIS  H       3.99             (#peak 1828)
 &rst
  ixpk= 1828, nxpk= 0, iat=1614,1637, r1= 1.30, r2= 1.80, r3= 6.19, r4= 6.69,  &end
#
# 103 LEU  QQD   105 HIS  QB      5.28             (#peak 1928)
 &rst
  ixpk= 1928, nxpk= 0, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
 igr2=1641,1642,
 &end
#
# 103 LEU  QQD   106 ASP  H       5.40             (#peak 860)
 &rst
  ixpk= 860, nxpk= 0, iat=1614,1654, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,  &end
#
# 103 LEU  QQD   107 GLU  HA      5.19             (#peak 1903)
 &rst
  ixpk= 1903, nxpk= 0, iat=1614,1668, r1= 1.30, r2= 1.80, r3= 7.39, r4= 7.89,  &end
#
# 103 LEU  QQD   107 GLU  QG      3.49             (#peak 1578)
 &rst
  ixpk= 1578, nxpk= 0, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2=1673,1674,
 &end
#
# 103 LEU  QD2   107 GLU  HG3     5.79             (#peak 1578)
 &rst
  ixpk= 1578, nxpk= 0, iat=  -1,1674, r1= 1.30, r2= 1.80, r3= 6.95, r4= 7.45,
 igr1=1621,1622,1623,
 &end
#
# 104 ALA  H     105 HIS  QB      4.96             (#peak 2182)
 &rst
  ixpk= 2182, nxpk= 0, iat=1627,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1641,1642,
 &end
#
# 104 ALA  H     107 GLU  QG      5.34             (#peak 3500)
 &rst
  ixpk= 3500, nxpk= 0, iat=1627,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2=1673,1674,
 &end
#
# 104 ALA  QB    105 HIS  QB      5.34             (#peak 3390)
 &rst
  ixpk= 3390, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,
 igr1=1631,1632,1633,
 igr2=1641,1642,
 &end
#
# 105 HIS  H     105 HIS  QB      3.07             (#peak 868)
 &rst
  ixpk= 868, nxpk= 0, iat=1637,  -1, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,
 igr2=1641,1642,
 &end
#
# 105 HIS  QB    106 ASP  H       3.57             (#peak 856)
 &rst
  ixpk= 856, nxpk= 0, iat=  -1,1654, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,
 igr1=1641,1642,
 &end
#
# 105 HIS  QB    106 ASP  QB      4.09             (#peak 768)
 &rst
  ixpk= 768, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,
 igr1=1641,1642,
 igr2=1658,1659,
 &end
#
# 106 ASP  H     106 ASP  QB      3.33             (#peak 2130)
 &rst
  ixpk= 2130, nxpk= 0, iat=1654,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2=1658,1659,
 &end
#
# 107 GLU  H     107 GLU  QB      2.84             (#peak 514)
 &rst
  ixpk= 514, nxpk= 0, iat=1666,  -1, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,
 igr2=1670,1671,
 &end
#
# 107 GLU  H     107 GLU  QG      3.52             (#peak 517)
 &rst
  ixpk= 517, nxpk= 0, iat=1666,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2=1673,1674,
 &end
#
# 107 GLU  HA    107 GLU  QG      3.36             (#peak 3497)
 &rst
  ixpk= 3497, nxpk= 0, iat=1668,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1673,1674,
 &end
#
# 107 GLU  QB    108 PHE  H       3.28             (#peak 1010)
 &rst
  ixpk= 1010, nxpk= 0, iat=  -1,1681, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1=1670,1671,
 &end
#
# 107 GLU  QB    108 PHE  QD      3.91             (#peak 144)
 &rst
  ixpk= 144, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1=1670,1671,
 igr2=1689,1697,
 &end
#
# 107 GLU  QG    108 PHE  H       4.68             (#peak 3499)
 &rst
  ixpk= 3499, nxpk= 0, iat=  -1,1681, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1=1673,1674,
 &end
#
# 108 PHE  H     108 PHE  QB      3.15             (#peak 2170)
 &rst
  ixpk= 2170, nxpk= 0, iat=1681,  -1, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr2=1685,1686,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           H1       ALA   1   1.080  -0.835   0.448
    2    H2   ALA   1           H2       ALA   1   0.793   0.429  -0.560
    3    H3   ALA   1           H3       ALA   1   2.154   0.391   0.339
    4    HA   ALA   1           HA       ALA   1   2.680  -0.115  -1.926
    5    HB1  ALA   1           HB1      ALA   1   3.039  -2.519  -0.082
    6    HB2  ALA   1           HB2      ALA   1   3.907  -2.229  -1.605
    7    HB3  ALA   1           HB3      ALA   1   4.120  -1.121  -0.242
    8    H    VAL   2           H        VAL   2   0.989  -3.140  -0.833
    9    HA   VAL   2           HA       VAL   2  -0.181  -4.669  -1.985
   10    HB   VAL   2           HB       VAL   2  -1.607  -2.427  -3.441
   11   HG11  VAL   2          HG11      VAL   2  -2.527  -5.151  -2.389
   12   HG12  VAL   2          HG12      VAL   2  -3.536  -3.961  -3.237
   13   HG13  VAL   2          HG13      VAL   2  -2.225  -4.767  -4.094
   14   HG21  VAL   2          HG21      VAL   2  -1.580  -1.789  -1.076
   15   HG22  VAL   2          HG22      VAL   2  -3.173  -2.404  -1.500
   16   HG23  VAL   2          HG23      VAL   2  -2.046  -3.438  -0.595
   17    H    GLU   3           H        GLU   3   2.145  -4.833  -2.861
   18    HA   GLU   3           HA       GLU   3   2.006  -5.247  -5.796
   19    HB2  GLU   3           HB2      GLU   3   2.975  -2.995  -5.374
   20    HB3  GLU   3           HB3      GLU   3   4.251  -3.731  -4.399
   21    HG2  GLU   3           HG2      GLU   3   5.133  -4.898  -6.352
   22    HG3  GLU   3           HG3      GLU   3   3.738  -4.417  -7.325
   23    H    VAL   4           H        VAL   4   3.462  -6.834  -6.599
   24    HA   VAL   4           HA       VAL   4   4.738  -8.635  -4.581
   25    HB   VAL   4           HB       VAL   4   2.932  -9.471  -6.887
   26   HG11  VAL   4          HG11      VAL   4   4.376 -11.173  -4.805
   27   HG12  VAL   4          HG12      VAL   4   3.132 -11.762  -5.925
   28   HG13  VAL   4          HG13      VAL   4   4.658 -11.181  -6.567
   29   HG21  VAL   4          HG21      VAL   4   1.592  -8.624  -5.012
   30   HG22  VAL   4          HG22      VAL   4   1.453 -10.377  -5.103
   31   HG23  VAL   4          HG23      VAL   4   2.503  -9.640  -3.873
   32    H    GLU   5           H        GLU   5   6.477  -9.895  -5.396
   33    HA   GLU   5           HA       GLU   5   8.147  -8.586  -7.377
   34    HB2  GLU   5           HB2      GLU   5   8.524 -11.118  -5.737
   35    HB3  GLU   5           HB3      GLU   5   9.764 -10.377  -6.760
   36    HG2  GLU   5           HG2      GLU   5   9.723  -8.331  -5.413
   37    HG3  GLU   5           HG3      GLU   5   8.440  -8.988  -4.395
   38    H    VAL   6           H        VAL   6   6.127  -9.071  -8.876
   39    HA   VAL   6           HA       VAL   6   6.024 -11.639 -10.194
   40    HB   VAL   6           HB       VAL   6   4.764  -8.955 -10.792
   41   HG11  VAL   6          HG11      VAL   6   4.368 -11.580 -12.302
   42   HG12  VAL   6          HG12      VAL   6   3.323 -10.149 -12.436
   43   HG13  VAL   6          HG13      VAL   6   4.997 -10.059 -12.981
   44   HG21  VAL   6          HG21      VAL   6   3.931 -10.204  -8.834
   45   HG22  VAL   6          HG22      VAL   6   2.719 -10.120 -10.115
   46   HG23  VAL   6          HG23      VAL   6   3.633 -11.623  -9.856
   47    HA   PRO   7           HA       PRO   7   8.517  -9.859 -13.783
   48    HB2  PRO   7           HB2      PRO   7   9.632  -7.416 -13.885
   49    HB3  PRO   7           HB3      PRO   7   7.882  -7.630 -14.147
   50    HG2  PRO   7           HG2      PRO   7   9.267  -6.902 -11.546
   51    HG3  PRO   7           HG3      PRO   7   7.906  -6.036 -12.338
   52    HD2  PRO   7           HD2      PRO   7   7.490  -7.860 -10.367
   53    HD3  PRO   7           HD3      PRO   7   6.372  -7.729 -11.759
   54    H    GLY   8           H        GLY   8  10.793  -9.593 -14.354
   55    HA2  GLY   8           HA2      GLY   8  13.051  -8.991 -13.122
   56    HA3  GLY   8           HA3      GLY   8  12.681 -10.443 -12.199
   57    H    LEU   9           H        LEU   9  14.902  -9.755 -14.140
   58    HA   LEU   9           HA       LEU   9  14.897 -12.356 -15.489
   59    HB2  LEU   9           HB2      LEU   9  15.503 -11.490 -17.706
   60    HB3  LEU   9           HB3      LEU   9  13.875 -11.155 -17.179
   61    HG   LEU   9           HG       LEU   9  14.573  -8.784 -16.657
   62   HD11  LEU   9          HD11      LEU   9  17.034  -9.550 -18.278
   63   HD12  LEU   9          HD12      LEU   9  16.534  -7.887 -17.896
   64   HD13  LEU   9          HD13      LEU   9  17.011  -8.988 -16.599
   65   HD21  LEU   9          HD21      LEU   9  13.319  -9.409 -18.676
   66   HD22  LEU   9          HD22      LEU   9  14.454  -8.095 -19.021
   67   HD23  LEU   9          HD23      LEU   9  14.840  -9.755 -19.525
   68    H    LEU  10           H        LEU  10  16.316 -11.554 -13.230
   69    HA   LEU  10           HA       LEU  10  19.083 -10.952 -13.814
   70    HB2  LEU  10           HB2      LEU  10  17.665 -12.280 -11.483
   71    HB3  LEU  10           HB3      LEU  10  19.407 -12.238 -11.559
   72    HG   LEU  10           HG       LEU  10  17.953  -9.641 -11.931
   73   HD11  LEU  10          HD11      LEU  10  18.402 -10.978  -9.226
   74   HD12  LEU  10          HD12      LEU  10  17.917  -9.285  -9.469
   75   HD13  LEU  10          HD13      LEU  10  16.830 -10.592  -9.961
   76   HD21  LEU  10          HD21      LEU  10  20.440  -9.771 -12.087
   77   HD22  LEU  10          HD22      LEU  10  19.905  -8.739 -10.747
   78   HD23  LEU  10          HD23      LEU  10  20.490 -10.377 -10.407
   79    H    THR  11           H        THR  11  20.204 -12.129 -15.236
   80    HA   THR  11           HA       THR  11  20.155 -15.103 -14.983
   81    HB   THR  11           HB       THR  11  20.918 -13.375 -17.342
   82    HG1  THR  11           HG1      THR  11  19.099 -14.342 -18.230
   83   HG21  THR  11          HG21      THR  11  21.059 -16.397 -16.950
   84   HG22  THR  11          HG22      THR  11  21.062 -15.606 -18.539
   85   HG23  THR  11          HG23      THR  11  22.381 -15.291 -17.410
   86    H    ASP  12           H        ASP  12  21.905 -16.222 -14.568
   87    HA   ASP  12           HA       ASP  12  24.337 -15.025 -13.573
   88    HB2  ASP  12           HB2      ASP  12  24.989 -17.319 -13.146
   89    HB3  ASP  12           HB3      ASP  12  23.375 -17.004 -12.546
   90    H    HIS  13           H        HIS  13  24.432 -13.849 -15.820
   91    HA   HIS  13           HA       HIS  13  25.944 -15.357 -17.877
   92    HB2  HIS  13           HB2      HIS  13  24.978 -12.494 -17.671
   93    HB3  HIS  13           HB3      HIS  13  26.110 -13.010 -18.916
   94    HD2  HIS  13           HD2      HIS  13  24.885 -15.656 -19.981
   95    HE1  HIS  13           HE1      HIS  13  21.357 -13.379 -20.722
   96    HE2  HIS  13           HE2      HIS  13  22.623 -15.507 -21.320
   97    H    THR  14           H        THR  14  27.111 -15.710 -15.504
   98    HA   THR  14           HA       THR  14  29.558 -14.082 -15.613
   99    HB   THR  14           HB       THR  14  29.656 -14.029 -13.153
  100    HG1  THR  14           HG1      THR  14  27.793 -14.534 -11.993
  101   HG21  THR  14          HG21      THR  14  27.006 -12.847 -14.058
  102   HG22  THR  14          HG22      THR  14  28.041 -12.316 -12.719
  103   HG23  THR  14          HG23      THR  14  28.590 -12.106 -14.390
  104    H    VAL  15           H        VAL  15  31.504 -15.149 -15.417
  105    HA   VAL  15           HA       VAL  15  31.443 -18.079 -14.837
  106    HB   VAL  15           HB       VAL  15  32.790 -18.521 -16.830
  107   HG11  VAL  15          HG11      VAL  15  30.169 -17.152 -17.502
  108   HG12  VAL  15          HG12      VAL  15  30.986 -18.437 -18.416
  109   HG13  VAL  15          HG13      VAL  15  30.332 -18.776 -16.802
  110   HG21  VAL  15          HG21      VAL  15  33.774 -16.282 -17.267
  111   HG22  VAL  15          HG22      VAL  15  32.932 -16.929 -18.680
  112   HG23  VAL  15          HG23      VAL  15  32.167 -15.662 -17.700
  113    H    SER  16           H        SER  16  32.357 -16.122 -13.098
  114    HA   SER  16           HA       SER  16  35.317 -16.650 -12.931
  115    HB2  SER  16           HB2      SER  16  35.259 -14.389 -13.397
  116    HB3  SER  16           HB3      SER  16  33.710 -14.147 -12.577
  117    HG   SER  16           HG       SER  16  36.263 -14.065 -11.534
  118    H    SER  17           H        SER  17  36.224 -17.059 -10.881
  119    HA   SER  17           HA       SER  17  34.701 -18.458  -8.970
  120    HB2  SER  17           HB2      SER  17  37.344 -17.015  -8.534
  121    HB3  SER  17           HB3      SER  17  36.692 -18.349  -7.561
  122    HG   SER  17           HG       SER  17  38.205 -19.101  -9.131
  123    H    ILE  18           H        ILE  18  35.355 -14.988  -9.125
  124    HA   ILE  18           HA       ILE  18  33.727 -14.524  -6.655
  125    HB   ILE  18           HB       ILE  18  34.381 -12.039  -7.328
  126   HG12  ILE  18          HG12      ILE  18  36.834 -13.560  -8.321
  127   HG13  ILE  18          HG13      ILE  18  35.592 -12.851  -9.371
  128   HG21  ILE  18          HG21      ILE  18  36.261 -13.951  -5.893
  129   HG22  ILE  18          HG22      ILE  18  36.187 -12.181  -5.679
  130   HG23  ILE  18          HG23      ILE  18  34.826 -13.175  -5.181
  131   HD11  ILE  18          HD11      ILE  18  37.123 -11.134  -7.457
  132   HD12  ILE  18          HD12      ILE  18  37.694 -11.548  -9.097
  133   HD13  ILE  18          HD13      ILE  18  36.172 -10.708  -8.907
  134    H    GLY  19           H        GLY  19  33.696 -13.778 -10.194
  135    HA2  GLY  19           HA2      GLY  19  31.346 -12.142 -10.033
  136    HA3  GLY  19           HA3      GLY  19  31.981 -12.910 -11.485
  137    H    HIS  20           H        HIS  20  31.640 -15.674 -10.319
  138    HA   HIS  20           HA       HIS  20  28.876 -16.265 -10.947
  139    HB2  HIS  20           HB2      HIS  20  30.720 -17.852 -11.265
  140    HB3  HIS  20           HB3      HIS  20  31.031 -17.870  -9.527
  141    HD2  HIS  20           HD2      HIS  20  29.759 -19.618  -8.107
  142    HE1  HIS  20           HE1      HIS  20  27.025 -21.033 -11.063
  143    HE2  HIS  20           HE2      HIS  20  27.948 -21.432  -8.718
  144    H    ASP  21           H        ASP  21  30.641 -15.675  -7.887
  145    HA   ASP  21           HA       ASP  21  28.307 -16.296  -6.225
  146    HB2  ASP  21           HB2      ASP  21  31.124 -15.338  -5.701
  147    HB3  ASP  21           HB3      ASP  21  29.878 -15.171  -4.470
  148    H    PHE  22           H        PHE  22  29.804 -13.290  -7.556
  149    HA   PHE  22           HA       PHE  22  28.224 -11.402  -6.172
  150    HB2  PHE  22           HB2      PHE  22  30.047 -10.870  -7.804
  151    HB3  PHE  22           HB3      PHE  22  28.992 -11.320  -9.120
  152    HD1  PHE  22           HD1      PHE  22  26.918  -9.999  -9.593
  153    HD2  PHE  22           HD2      PHE  22  29.770  -8.682  -6.657
  154    HE1  PHE  22           HE1      PHE  22  25.935  -7.722  -9.673
  155    HE2  PHE  22           HE2      PHE  22  28.845  -6.383  -6.798
  156    HZ   PHE  22           HZ       PHE  22  26.923  -5.908  -8.304
  157    H    TYR  23           H        TYR  23  27.307 -13.300  -9.077
  158    HA   TYR  23           HA       TYR  23  24.762 -12.210  -9.541
  159    HB2  TYR  23           HB2      TYR  23  25.715 -13.877 -11.030
  160    HB3  TYR  23           HB3      TYR  23  25.701 -15.093  -9.744
  161    HD1  TYR  23           HD1      TYR  23  23.425 -12.948 -11.803
  162    HD2  TYR  23           HD2      TYR  23  23.864 -16.502  -9.416
  163    HE1  TYR  23           HE1      TYR  23  21.064 -13.554 -12.274
  164    HE2  TYR  23           HE2      TYR  23  21.510 -17.144  -9.928
  165    HH   TYR  23           HH       TYR  23  19.380 -15.156 -12.008
  166    H    ARG  24           H        ARG  24  25.534 -14.909  -7.321
  167    HA   ARG  24           HA       ARG  24  22.806 -15.198  -6.369
  168    HB2  ARG  24           HB2      ARG  24  25.405 -16.269  -5.160
  169    HB3  ARG  24           HB3      ARG  24  23.757 -16.793  -4.780
  170    HG2  ARG  24           HG2      ARG  24  23.521 -17.342  -7.288
  171    HG3  ARG  24           HG3      ARG  24  25.271 -17.152  -7.402
  172    HD2  ARG  24           HD2      ARG  24  25.646 -18.927  -5.788
  173    HD3  ARG  24           HD3      ARG  24  23.922 -19.080  -5.461
  174    HE   ARG  24           HE       ARG  24  25.404 -20.041  -7.827
  175   HH11  ARG  24          HH11      ARG  24  22.185 -19.547  -6.504
  176   HH12  ARG  24          HH12      ARG  24  21.455 -20.646  -7.638
  177   HH21  ARG  24          HH21      ARG  24  24.391 -21.445  -9.235
  178   HH22  ARG  24          HH22      ARG  24  22.674 -21.684  -9.138
  179    H    ALA  25           H        ALA  25  25.717 -13.714  -4.951
  180    HA   ALA  25           HA       ALA  25  24.476 -12.915  -2.492
  181    HB1  ALA  25           HB1      ALA  25  26.804 -11.624  -3.989
  182    HB2  ALA  25           HB2      ALA  25  26.452 -11.494  -2.249
  183    HB3  ALA  25           HB3      ALA  25  26.951 -13.052  -2.932
  184    H    PHE  26           H        PHE  26  24.792 -11.140  -5.629
  185    HA   PHE  26           HA       PHE  26  23.510  -8.763  -4.701
  186    HB2  PHE  26           HB2      PHE  26  24.851  -8.863  -6.737
  187    HB3  PHE  26           HB3      PHE  26  23.759 -10.005  -7.476
  188    HD1  PHE  26           HD1      PHE  26  21.265  -9.186  -7.872
  189    HD2  PHE  26           HD2      PHE  26  24.601  -6.546  -7.154
  190    HE1  PHE  26           HE1      PHE  26  19.989  -7.316  -8.839
  191    HE2  PHE  26           HE2      PHE  26  23.333  -4.682  -8.213
  192    HZ   PHE  26           HZ       PHE  26  21.013  -5.073  -9.046
  193    H    SER  27           H        SER  27  22.136 -11.653  -6.403
  194    HA   SER  27           HA       SER  27  19.478 -10.607  -6.420
  195    HB2  SER  27           HB2      SER  27  18.747 -12.750  -7.151
  196    HB3  SER  27           HB3      SER  27  20.278 -12.363  -7.958
  197    HG   SER  27           HG       SER  27  20.178 -14.544  -7.151
  198    H    ASP  28           H        ASP  28  21.174 -12.521  -3.962
  199    HA   ASP  28           HA       ASP  28  18.966 -13.181  -2.305
  200    HB2  ASP  28           HB2      ASP  28  21.936 -12.773  -1.875
  201    HB3  ASP  28           HB3      ASP  28  20.892 -12.984  -0.487
  202    H    LYS  29           H        LYS  29  20.772 -10.110  -2.518
  203    HA   LYS  29           HA       LYS  29  18.853  -8.965  -0.519
  204    HB2  LYS  29           HB2      LYS  29  20.763  -7.088  -0.472
  205    HB3  LYS  29           HB3      LYS  29  20.589  -8.380   0.666
  206    HG2  LYS  29           HG2      LYS  29  22.379  -8.652  -1.772
  207    HG3  LYS  29           HG3      LYS  29  22.917  -7.801  -0.335
  208    HD2  LYS  29           HD2      LYS  29  22.107 -10.733  -0.383
  209    HD3  LYS  29           HD3      LYS  29  23.748 -10.097  -0.372
  210    HE2  LYS  29           HE2      LYS  29  23.312  -8.985   1.822
  211    HE3  LYS  29           HE3      LYS  29  21.684  -9.670   1.842
  212    HZ1  LYS  29           HZ1      LYS  29  24.198 -11.279   1.850
  213    HZ2  LYS  29           HZ2      LYS  29  23.226 -11.032   3.135
  214    HZ3  LYS  29           HZ3      LYS  29  22.682 -11.906   1.872
  215    H    TRP  30           H        TRP  30  19.174  -9.008  -3.756
  216    HA   TRP  30           HA       TRP  30  18.667  -6.336  -4.513
  217    HB2  TRP  30           HB2      TRP  30  19.252  -8.083  -6.102
  218    HB3  TRP  30           HB3      TRP  30  17.729  -8.921  -5.789
  219    HD1  TRP  30           HD1      TRP  30  16.002  -8.485  -7.589
  220    HE1  TRP  30           HE1      TRP  30  15.372  -6.572  -9.178
  221    HE3  TRP  30           HE3      TRP  30  19.588  -5.086  -6.231
  222    HZ2  TRP  30           HZ2      TRP  30  16.255  -3.897  -9.731
  223    HZ3  TRP  30           HZ3      TRP  30  19.621  -2.836  -7.243
  224    HH2  TRP  30           HH2      TRP  30  17.989  -2.211  -9.002
  225    H    GLU  31           H        GLU  31  16.975  -5.028  -4.631
  226    HA   GLU  31           HA       GLU  31  14.225  -5.876  -4.460
  227    HB2  GLU  31           HB2      GLU  31  15.416  -5.375  -1.978
  228    HB3  GLU  31           HB3      GLU  31  14.748  -3.802  -2.382
  229    HG2  GLU  31           HG2      GLU  31  13.229  -6.447  -2.307
  230    HG3  GLU  31           HG3      GLU  31  13.220  -5.223  -1.043
  231    H    SER  32           H        SER  32  12.826  -4.169  -5.277
  232    HA   SER  32           HA       SER  32  14.021  -1.608  -6.042
  233    HB2  SER  32           HB2      SER  32  13.681  -1.964  -8.482
  234    HB3  SER  32           HB3      SER  32  15.018  -2.858  -7.771
  235    HG   SER  32           HG       SER  32  13.614  -4.723  -7.743
  236    H    ASP  33           H        ASP  33  12.643  -0.034  -6.643
  237    HA   ASP  33           HA       ASP  33   9.757  -0.491  -6.308
  238    HB2  ASP  33           HB2      ASP  33  10.991   1.448  -5.331
  239    HB3  ASP  33           HB3      ASP  33  11.282   2.051  -6.965
  240    H    TYR  34           H        TYR  34  11.963  -0.029  -9.003
  241    HA   TYR  34           HA       TYR  34   9.836   0.416 -10.977
  242    HB2  TYR  34           HB2      TYR  34  11.472   0.840 -12.509
  243    HB3  TYR  34           HB3      TYR  34  12.199   1.446 -11.044
  244    HD1  TYR  34           HD1      TYR  34  13.911  -0.128  -9.827
  245    HD2  TYR  34           HD2      TYR  34  12.665  -0.626 -13.934
  246    HE1  TYR  34           HE1      TYR  34  15.822  -1.648 -10.228
  247    HE2  TYR  34           HE2      TYR  34  14.576  -2.136 -14.326
  248    HH   TYR  34           HH       TYR  34  16.957  -2.935 -11.776
  249    H    THR  35           H        THR  35  10.468  -1.108 -13.117
  250    HA   THR  35           HA       THR  35   9.150  -3.563 -12.531
  251    HB   THR  35           HB       THR  35  10.533  -3.119 -15.153
  252    HG1  THR  35           HG1      THR  35   8.927  -1.622 -15.737
  253   HG21  THR  35          HG21      THR  35   7.663  -3.872 -14.391
  254   HG22  THR  35          HG22      THR  35   8.324  -3.829 -16.042
  255   HG23  THR  35          HG23      THR  35   8.928  -5.018 -14.886
  256    H    GLY  36           H        GLY  36  12.455  -2.982 -12.081
  257    HA2  GLY  36           HA2      GLY  36  14.151  -4.405 -11.523
  258    HA3  GLY  36           HA3      GLY  36  12.890  -5.624 -11.271
  259    H    ASN  37           H        ASN  37  13.463  -4.327 -14.467
  260    HA   ASN  37           HA       ASN  37  14.159  -7.024 -15.396
  261    HB2  ASN  37           HB2      ASN  37  13.686  -4.489 -16.985
  262    HB3  ASN  37           HB3      ASN  37  13.875  -6.118 -17.640
  263   HD21  ASN  37          HD21      ASN  37  10.595  -7.158 -16.405
  264   HD22  ASN  37          HD22      ASN  37  12.238  -7.774 -16.324
  265    H    LEU  38           H        LEU  38  16.178  -6.884 -14.136
  266    HA   LEU  38           HA       LEU  38  18.405  -5.797 -15.799
  267    HB2  LEU  38           HB2      LEU  38  19.635  -5.162 -13.992
  268    HB3  LEU  38           HB3      LEU  38  18.019  -4.598 -13.609
  269    HG   LEU  38           HG       LEU  38  19.422  -7.051 -12.427
  270   HD11  LEU  38          HD11      LEU  38  18.745  -4.310 -11.327
  271   HD12  LEU  38          HD12      LEU  38  19.223  -5.676 -10.314
  272   HD13  LEU  38          HD13      LEU  38  20.354  -5.059 -11.513
  273   HD21  LEU  38          HD21      LEU  38  16.991  -7.469 -12.423
  274   HD22  LEU  38          HD22      LEU  38  17.578  -7.132 -10.800
  275   HD23  LEU  38          HD23      LEU  38  16.714  -5.863 -11.695
  276    H    THR  39           H        THR  39  20.381  -6.857 -15.919
  277    HA   THR  39           HA       THR  39  20.576  -9.598 -14.791
  278    HB   THR  39           HB       THR  39  19.692  -9.753 -17.122
  279    HG1  THR  39           HG1      THR  39  21.474 -11.317 -17.591
  280   HG21  THR  39          HG21      THR  39  22.502  -8.915 -17.935
  281   HG22  THR  39          HG22      THR  39  21.213  -9.528 -18.991
  282   HG23  THR  39          HG23      THR  39  21.020  -7.960 -18.194
  283    H    ILE  40           H        ILE  40  22.805 -10.482 -14.989
  284    HA   ILE  40           HA       ILE  40  24.788  -8.322 -14.306
  285    HB   ILE  40           HB       ILE  40  24.309 -11.004 -12.974
  286   HG12  ILE  40          HG12      ILE  40  24.097  -8.222 -11.726
  287   HG13  ILE  40          HG13      ILE  40  22.707  -9.058 -12.405
  288   HG21  ILE  40          HG21      ILE  40  26.361  -8.906 -12.117
  289   HG22  ILE  40          HG22      ILE  40  26.140 -10.567 -11.504
  290   HG23  ILE  40          HG23      ILE  40  26.782 -10.317 -13.101
  291   HD11  ILE  40          HD11      ILE  40  24.393 -10.077 -10.101
  292   HD12  ILE  40          HD12      ILE  40  22.743  -9.434 -10.040
  293   HD13  ILE  40          HD13      ILE  40  23.045 -10.959 -10.876
  294    H    ASN  41           H        ASN  41  26.590  -8.391 -15.433
  295    HA   ASN  41           HA       ASN  41  27.341 -10.848 -16.954
  296    HB2  ASN  41           HB2      ASN  41  27.816  -7.979 -17.837
  297    HB3  ASN  41           HB3      ASN  41  27.934  -9.445 -18.796
  298   HD21  ASN  41          HD21      ASN  41  24.311  -7.550 -18.298
  299   HD22  ASN  41          HD22      ASN  41  25.690  -7.146 -17.279
  300    H    GLU  42           H        GLU  42  29.611 -11.405 -16.823
  301    HA   GLU  42           HA       GLU  42  31.353  -9.302 -15.684
  302    HB2  GLU  42           HB2      GLU  42  32.408 -10.696 -14.114
  303    HB3  GLU  42           HB3      GLU  42  30.695 -10.993 -13.932
  304    HG2  GLU  42           HG2      GLU  42  31.454 -13.137 -13.882
  305    HG3  GLU  42           HG3      GLU  42  31.175 -12.951 -15.622
  306    H    ARG  43           H        ARG  43  33.565  -9.376 -16.152
  307    HA   ARG  43           HA       ARG  43  34.332 -11.124 -18.442
  308    HB2  ARG  43           HB2      ARG  43  34.051  -8.774 -19.187
  309    HB3  ARG  43           HB3      ARG  43  35.313  -8.283 -18.060
  310    HG2  ARG  43           HG2      ARG  43  36.950  -9.749 -19.183
  311    HG3  ARG  43           HG3      ARG  43  35.703 -10.317 -20.304
  312    HD2  ARG  43           HD2      ARG  43  36.649  -7.433 -20.035
  313    HD3  ARG  43           HD3      ARG  43  37.214  -8.570 -21.257
  314    HE   ARG  43           HE       ARG  43  34.868  -8.742 -22.089
  315   HH11  ARG  43          HH11      ARG  43  35.770  -5.767 -20.454
  316   HH12  ARG  43          HH12      ARG  43  34.523  -4.853 -21.255
  317   HH21  ARG  43          HH21      ARG  43  33.310  -7.521 -23.058
  318   HH22  ARG  43          HH22      ARG  43  33.172  -5.826 -22.699
  319    HA   PRO  44           HA       PRO  44  37.178 -12.267 -15.201
  320    HB2  PRO  44           HB2      PRO  44  38.056 -14.629 -16.222
  321    HB3  PRO  44           HB3      PRO  44  36.400 -14.415 -15.592
  322    HG2  PRO  44           HG2      PRO  44  37.343 -14.288 -18.472
  323    HG3  PRO  44           HG3      PRO  44  35.942 -15.192 -17.806
  324    HD2  PRO  44           HD2      PRO  44  35.684 -12.732 -18.963
  325    HD3  PRO  44           HD3      PRO  44  34.649 -13.256 -17.604
  326    H    SER  45           H        SER  45  39.129 -11.422 -14.887
  327    HA   SER  45           HA       SER  45  41.089 -11.117 -17.120
  328    HB2  SER  45           HB2      SER  45  39.962  -8.907 -15.348
  329    HB3  SER  45           HB3      SER  45  41.375  -8.735 -16.409
  330    HG   SER  45           HG       SER  45  39.494  -8.005 -17.470
  331    H    ALA  46           H        ALA  46  42.397 -12.669 -16.128
  332    HA   ALA  46           HA       ALA  46  42.805 -12.931 -13.389
  333    HB1  ALA  46           HB1      ALA  46  44.592 -13.847 -15.688
  334    HB2  ALA  46           HB2      ALA  46  44.575 -14.531 -14.048
  335    HB3  ALA  46           HB3      ALA  46  43.147 -14.696 -15.085
  336    H    ARG  47           H        ARG  47  44.288 -10.546 -15.314
  337    HA   ARG  47           HA       ARG  47  46.600  -9.846 -13.798
  338    HB2  ARG  47           HB2      ARG  47  46.253  -7.597 -14.669
  339    HB3  ARG  47           HB3      ARG  47  45.966  -8.794 -15.928
  340    HG2  ARG  47           HG2      ARG  47  43.482  -8.580 -15.490
  341    HG3  ARG  47           HG3      ARG  47  43.820  -7.268 -14.362
  342    HD2  ARG  47           HD2      ARG  47  44.604  -7.266 -17.306
  343    HD3  ARG  47           HD3      ARG  47  43.132  -6.529 -16.649
  344    HE   ARG  47           HE       ARG  47  45.316  -5.457 -15.198
  345   HH11  ARG  47          HH11      ARG  47  44.073  -5.274 -18.473
  346   HH12  ARG  47          HH12      ARG  47  44.728  -3.680 -18.731
  347   HH21  ARG  47          HH21      ARG  47  46.137  -3.427 -15.601
  348   HH22  ARG  47          HH22      ARG  47  45.866  -2.668 -17.140
  349    H    ALA  48           H        ALA  48  43.208  -9.565 -12.905
  350    HA   ALA  48           HA       ALA  48  43.965  -8.599 -10.214
  351    HB1  ALA  48           HB1      ALA  48  42.253  -7.004 -12.166
  352    HB2  ALA  48           HB2      ALA  48  42.375  -6.659 -10.429
  353    HB3  ALA  48           HB3      ALA  48  43.808  -6.526 -11.461
  354    H    GLY  49           H        GLY  49  41.371  -9.975 -12.296
  355    HA2  GLY  49           HA2      GLY  49  40.079 -11.617 -10.612
  356    HA3  GLY  49           HA3      GLY  49  39.477 -10.075 -10.014
  357    H    SER  50           H        SER  50  37.617  -9.339 -10.926
  358    HA   SER  50           HA       SER  50  37.027  -9.975 -13.765
  359    HB2  SER  50           HB2      SER  50  34.634 -10.382 -13.150
  360    HB3  SER  50           HB3      SER  50  35.757 -11.678 -12.708
  361    HG   SER  50           HG       SER  50  34.402 -11.299 -10.988
  362    H    TRP  51           H        TRP  51  35.825  -8.516 -14.890
  363    HA   TRP  51           HA       TRP  51  35.023  -5.959 -13.568
  364    HB2  TRP  51           HB2      TRP  51  35.328  -6.908 -16.386
  365    HB3  TRP  51           HB3      TRP  51  33.957  -5.867 -16.068
  366    HD1  TRP  51           HD1      TRP  51  37.595  -5.728 -16.716
  367    HE1  TRP  51           HE1      TRP  51  38.457  -3.320 -16.545
  368    HE3  TRP  51           HE3      TRP  51  33.480  -3.568 -14.568
  369    HZ2  TRP  51           HZ2      TRP  51  37.433  -0.741 -15.694
  370    HZ3  TRP  51           HZ3      TRP  51  33.458  -1.124 -14.086
  371    HH2  TRP  51           HH2      TRP  51  35.402   0.290 -14.657
  372    H    ILE  52           H        ILE  52  32.972  -5.725 -12.822
  373    HA   ILE  52           HA       ILE  52  30.858  -7.679 -13.673
  374    HB   ILE  52           HB       ILE  52  30.942  -5.929 -11.183
  375   HG12  ILE  52          HG12      ILE  52  32.585  -7.676 -10.888
  376   HG13  ILE  52          HG13      ILE  52  31.172  -7.991  -9.891
  377   HG21  ILE  52          HG21      ILE  52  28.937  -8.033 -12.130
  378   HG22  ILE  52          HG22      ILE  52  28.987  -7.338 -10.496
  379   HG23  ILE  52          HG23      ILE  52  28.647  -6.294 -11.870
  380   HD11  ILE  52          HD11      ILE  52  31.713  -9.337 -12.560
  381   HD12  ILE  52          HD12      ILE  52  32.117 -10.035 -11.004
  382   HD13  ILE  52          HD13      ILE  52  30.413  -9.753 -11.424
  383    H    THR  53           H        THR  53  29.232  -6.926 -14.826
  384    HA   THR  53           HA       THR  53  28.706  -3.982 -14.997
  385    HB   THR  53           HB       THR  53  28.967  -5.896 -17.351
  386    HG1  THR  53           HG1      THR  53  30.809  -4.686 -17.814
  387   HG21  THR  53          HG21      THR  53  28.540  -2.876 -17.271
  388   HG22  THR  53          HG22      THR  53  28.768  -3.855 -18.730
  389   HG23  THR  53          HG23      THR  53  27.305  -4.062 -17.753
  390    H    ILE  54           H        ILE  54  26.648  -3.633 -14.455
  391    HA   ILE  54           HA       ILE  54  24.640  -5.802 -14.886
  392    HB   ILE  54           HB       ILE  54  24.781  -5.386 -12.635
  393   HG12  ILE  54          HG12      ILE  54  22.458  -5.589 -13.477
  394   HG13  ILE  54          HG13      ILE  54  22.655  -4.795 -11.927
  395   HG21  ILE  54          HG21      ILE  54  24.673  -2.419 -13.208
  396   HG22  ILE  54          HG22      ILE  54  24.420  -3.121 -11.589
  397   HG23  ILE  54          HG23      ILE  54  25.963  -3.356 -12.419
  398   HD11  ILE  54          HD11      ILE  54  21.897  -3.450 -14.550
  399   HD12  ILE  54          HD12      ILE  54  20.959  -3.590 -13.083
  400   HD13  ILE  54          HD13      ILE  54  22.384  -2.560 -13.092
  401    H    THR  55           H        THR  55  23.091  -5.610 -16.266
  402    HA   THR  55           HA       THR  55  22.701  -3.004 -17.659
  403    HB   THR  55           HB       THR  55  22.133  -4.425 -19.680
  404    HG1  THR  55           HG1      THR  55  22.627  -6.530 -19.656
  405   HG21  THR  55          HG21      THR  55  24.975  -4.631 -18.566
  406   HG22  THR  55          HG22      THR  55  24.509  -5.009 -20.236
  407   HG23  THR  55          HG23      THR  55  24.329  -3.363 -19.632
  408    H    VAL  56           H        VAL  56  20.665  -2.314 -18.056
  409    HA   VAL  56           HA       VAL  56  18.371  -3.917 -16.987
  410    HB   VAL  56           HB       VAL  56  18.796  -0.935 -17.227
  411   HG11  VAL  56          HG11      VAL  56  16.117  -2.379 -16.907
  412   HG12  VAL  56          HG12      VAL  56  16.398  -0.663 -16.538
  413   HG13  VAL  56          HG13      VAL  56  16.572  -1.234 -18.197
  414   HG21  VAL  56          HG21      VAL  56  19.385  -2.291 -15.152
  415   HG22  VAL  56          HG22      VAL  56  18.157  -1.036 -14.877
  416   HG23  VAL  56          HG23      VAL  56  17.674  -2.733 -15.021
  417    H    ASN  57           H        ASN  57  17.295  -4.933 -18.389
  418    HA   ASN  57           HA       ASN  57  16.634  -5.923 -20.297
  419    HB2  ASN  57           HB2      ASN  57  16.283  -3.090 -21.349
  420    HB3  ASN  57           HB3      ASN  57  15.655  -4.549 -22.095
  421   HD21  ASN  57          HD21      ASN  57  13.532  -2.861 -19.159
  422   HD22  ASN  57          HD22      ASN  57  14.961  -2.106 -19.850
  423    H    GLN  58           H        GLN  58  18.422  -3.235 -21.771
  424    HA   GLN  58           HA       GLN  58  20.492  -5.045 -22.871
  425    HB2  GLN  58           HB2      GLN  58  20.138  -4.209 -25.161
  426    HB3  GLN  58           HB3      GLN  58  18.748  -5.099 -24.550
  427    HG2  GLN  58           HG2      GLN  58  17.499  -3.041 -24.151
  428    HG3  GLN  58           HG3      GLN  58  18.904  -2.053 -24.547
  429   HE21  GLN  58          HE21      GLN  58  18.524  -2.506 -28.107
  430   HE22  GLN  58          HE22      GLN  58  19.701  -2.128 -26.858
  431    H    ASP  59           H        ASP  59  20.025  -2.421 -21.068
  432    HA   ASP  59           HA       ASP  59  22.176  -0.732 -22.316
  433    HB2  ASP  59           HB2      ASP  59  19.706  -0.006 -20.699
  434    HB3  ASP  59           HB3      ASP  59  21.025   1.113 -21.005
  435    H    VAL  60           H        VAL  60  23.987  -0.325 -21.118
  436    HA   VAL  60           HA       VAL  60  24.210  -1.480 -18.433
  437    HB   VAL  60           HB       VAL  60  26.120  -1.602 -19.906
  438   HG11  VAL  60          HG11      VAL  60  26.348   1.432 -19.736
  439   HG12  VAL  60          HG12      VAL  60  27.512   0.320 -20.477
  440   HG13  VAL  60          HG13      VAL  60  25.906   0.505 -21.187
  441   HG21  VAL  60          HG21      VAL  60  26.471  -1.524 -17.439
  442   HG22  VAL  60          HG22      VAL  60  27.849  -0.904 -18.371
  443   HG23  VAL  60          HG23      VAL  60  26.767   0.231 -17.559
  444    H    ILE  61           H        ILE  61  24.189  -0.553 -16.509
  445    HA   ILE  61           HA       ILE  61  23.840   2.424 -16.338
  446    HB   ILE  61           HB       ILE  61  22.338   1.923 -14.364
  447   HG12  ILE  61          HG12      ILE  61  21.692  -0.691 -15.734
  448   HG13  ILE  61          HG13      ILE  61  22.829  -0.603 -14.379
  449   HG21  ILE  61          HG21      ILE  61  21.249   1.278 -17.125
  450   HG22  ILE  61          HG22      ILE  61  20.350   1.976 -15.753
  451   HG23  ILE  61          HG23      ILE  61  21.627   2.911 -16.528
  452   HD11  ILE  61          HD11      ILE  61  19.955   0.403 -14.255
  453   HD12  ILE  61          HD12      ILE  61  20.532  -1.139 -13.635
  454   HD13  ILE  61          HD13      ILE  61  21.141   0.368 -12.932
  455    H    PHE  62           H        PHE  62  25.278  -0.464 -14.882
  456    HA   PHE  62           HA       PHE  62  27.067   1.318 -13.431
  457    HB2  PHE  62           HB2      PHE  62  25.406   1.167 -11.742
  458    HB3  PHE  62           HB3      PHE  62  25.169  -0.549 -11.972
  459    HD1  PHE  62           HD1      PHE  62  26.452  -2.093 -10.564
  460    HD2  PHE  62           HD2      PHE  62  27.712   2.017 -10.939
  461    HE1  PHE  62           HE1      PHE  62  28.290  -2.501  -8.925
  462    HE2  PHE  62           HE2      PHE  62  29.515   1.605  -9.289
  463    HZ   PHE  62           HZ       PHE  62  29.798  -0.649  -8.285
  464    H    GLN  63           H        GLN  63  29.012   0.404 -12.924
  465    HA   GLN  63           HA       GLN  63  29.483  -2.414 -13.223
  466    HB2  GLN  63           HB2      GLN  63  31.145  -2.290 -15.042
  467    HB3  GLN  63           HB3      GLN  63  29.517  -1.886 -15.573
  468    HG2  GLN  63           HG2      GLN  63  30.104   0.545 -15.495
  469    HG3  GLN  63           HG3      GLN  63  31.764   0.106 -15.079
  470   HE21  GLN  63          HE21      GLN  63  32.346  -1.346 -18.417
  471   HE22  GLN  63          HE22      GLN  63  32.604  -1.803 -16.744
  472    H    THR  64           H        THR  64  31.442  -3.114 -12.364
  473    HA   THR  64           HA       THR  64  33.396  -1.206 -11.277
  474    HB   THR  64           HB       THR  64  31.541  -1.100  -9.658
  475    HG1  THR  64           HG1      THR  64  32.878  -1.334  -7.898
  476   HG21  THR  64          HG21      THR  64  32.172  -4.014  -8.995
  477   HG22  THR  64          HG22      THR  64  30.982  -2.955  -8.207
  478   HG23  THR  64          HG23      THR  64  30.718  -3.484  -9.871
  479    H    PHE  65           H        PHE  65  35.105  -2.386  -9.990
  480    HA   PHE  65           HA       PHE  65  35.708  -4.971 -11.342
  481    HB2  PHE  65           HB2      PHE  65  37.236  -2.755 -11.274
  482    HB3  PHE  65           HB3      PHE  65  37.800  -3.512  -9.794
  483    HD1  PHE  65           HD1      PHE  65  38.040  -3.418 -13.370
  484    HD2  PHE  65           HD2      PHE  65  38.558  -6.025  -9.980
  485    HE1  PHE  65           HE1      PHE  65  39.401  -4.963 -14.760
  486    HE2  PHE  65           HE2      PHE  65  39.835  -7.600 -11.387
  487    HZ   PHE  65           HZ       PHE  65  40.261  -7.066 -13.803
  488    H    LEU  66           H        LEU  66  35.791  -6.827 -10.234
  489    HA   LEU  66           HA       LEU  66  35.691  -6.816  -7.250
  490    HB2  LEU  66           HB2      LEU  66  34.734  -8.753  -9.342
  491    HB3  LEU  66           HB3      LEU  66  35.145  -9.314  -7.731
  492    HG   LEU  66           HG       LEU  66  32.959  -7.326  -8.352
  493   HD11  LEU  66          HD11      LEU  66  32.853 -10.170  -7.223
  494   HD12  LEU  66          HD12      LEU  66  31.521  -9.170  -7.836
  495   HD13  LEU  66          HD13      LEU  66  32.723  -9.831  -8.944
  496   HD21  LEU  66          HD21      LEU  66  33.840  -6.849  -6.100
  497   HD22  LEU  66          HD22      LEU  66  32.315  -7.744  -5.954
  498   HD23  LEU  66          HD23      LEU  66  33.863  -8.579  -5.711
  499    H    PHE  67           H        PHE  67  37.167  -7.895  -6.085
  500    HA   PHE  67           HA       PHE  67  39.528  -9.088  -7.502
  501    HB2  PHE  67           HB2      PHE  67  39.539  -7.460  -4.953
  502    HB3  PHE  67           HB3      PHE  67  40.942  -8.115  -5.783
  503    HD1  PHE  67           HD1      PHE  67  38.315  -5.504  -5.809
  504    HD2  PHE  67           HD2      PHE  67  41.848  -6.994  -7.784
  505    HE1  PHE  67           HE1      PHE  67  38.499  -3.381  -7.076
  506    HE2  PHE  67           HE2      PHE  67  42.047  -4.845  -9.024
  507    HZ   PHE  67           HZ       PHE  67  40.368  -3.049  -8.687
  508    HA   PRO  68           HA       PRO  68  38.352 -12.574  -4.989
  509    HB2  PRO  68           HB2      PRO  68  40.187 -14.413  -5.793
  510    HB3  PRO  68           HB3      PRO  68  38.925 -13.766  -6.887
  511    HG2  PRO  68           HG2      PRO  68  41.792 -12.788  -6.599
  512    HG3  PRO  68           HG3      PRO  68  40.940 -13.254  -8.113
  513    HD2  PRO  68           HD2      PRO  68  41.135 -10.693  -7.309
  514    HD3  PRO  68           HD3      PRO  68  39.632 -11.323  -8.062
  515    H    LEU  69           H        LEU  69  41.719 -11.375  -4.725
  516    HA   LEU  69           HA       LEU  69  42.236 -12.862  -2.240
  517    HB2  LEU  69           HB2      LEU  69  43.784 -10.844  -3.904
  518    HB3  LEU  69           HB3      LEU  69  44.295 -11.225  -2.281
  519    HG   LEU  69           HG       LEU  69  45.592 -12.462  -3.857
  520   HD11  LEU  69          HD11      LEU  69  43.772 -14.418  -2.403
  521   HD12  LEU  69          HD12      LEU  69  45.448 -14.670  -2.917
  522   HD13  LEU  69          HD13      LEU  69  45.088 -13.491  -1.645
  523   HD21  LEU  69          HD21      LEU  69  43.974 -12.702  -5.695
  524   HD22  LEU  69          HD22      LEU  69  44.729 -14.240  -5.259
  525   HD23  LEU  69          HD23      LEU  69  43.067 -13.908  -4.738
  526    H    LYS  70           H        LYS  70  40.751  -9.876  -3.006
  527    HA   LYS  70           HA       LYS  70  41.201  -8.680  -0.312
  528    HB2  LYS  70           HB2      LYS  70  39.732  -7.578  -2.736
  529    HB3  LYS  70           HB3      LYS  70  40.015  -6.715  -1.224
  530    HG2  LYS  70           HG2      LYS  70  42.478  -6.920  -1.580
  531    HG3  LYS  70           HG3      LYS  70  42.170  -7.669  -3.159
  532    HD2  LYS  70           HD2      LYS  70  40.902  -5.636  -3.859
  533    HD3  LYS  70           HD3      LYS  70  41.279  -4.864  -2.320
  534    HE2  LYS  70           HE2      LYS  70  43.360  -5.833  -4.344
  535    HE3  LYS  70           HE3      LYS  70  42.729  -4.187  -4.280
  536    HZ1  LYS  70           HZ1      LYS  70  44.255  -5.499  -2.080
  537    HZ2  LYS  70           HZ2      LYS  70  44.809  -4.327  -3.066
  538    HZ3  LYS  70           HZ3      LYS  70  43.620  -3.990  -2.006
  539    H    ARG  71           H        ARG  71  39.381  -7.805   0.870
  540    HA   ARG  71           HA       ARG  71  37.024  -9.663   0.897
  541    HB2  ARG  71           HB2      ARG  71  38.403  -8.188   3.168
  542    HB3  ARG  71           HB3      ARG  71  36.907  -9.122   3.333
  543    HG2  ARG  71           HG2      ARG  71  38.061 -11.147   2.476
  544    HG3  ARG  71           HG3      ARG  71  39.585 -10.254   2.410
  545    HD2  ARG  71           HD2      ARG  71  37.927 -10.690   4.931
  546    HD3  ARG  71           HD3      ARG  71  39.288 -11.695   4.462
  547    HE   ARG  71           HE       ARG  71  39.368  -8.982   5.584
  548   HH11  ARG  71          HH11      ARG  71  41.315 -11.396   3.936
  549   HH12  ARG  71          HH12      ARG  71  42.810 -10.683   4.471
  550   HH21  ARG  71          HH21      ARG  71  41.310  -8.125   6.217
  551   HH22  ARG  71          HH22      ARG  71  42.801  -8.876   5.731
  552    H    ASP  72           H        ASP  72  37.333  -7.016  -0.619
  553    HA   ASP  72           HA       ASP  72  35.196  -5.373   0.494
  554    HB2  ASP  72           HB2      ASP  72  35.376  -4.022  -1.418
  555    HB3  ASP  72           HB3      ASP  72  36.999  -4.450  -0.940
  556    H    PHE  73           H        PHE  73  35.171  -8.273  -1.416
  557    HA   PHE  73           HA       PHE  73  33.230  -7.957  -3.275
  558    HB2  PHE  73           HB2      PHE  73  34.404  -9.992  -3.112
  559    HB3  PHE  73           HB3      PHE  73  33.851 -10.327  -1.482
  560    HD1  PHE  73           HD1      PHE  73  33.141 -10.731  -5.014
  561    HD2  PHE  73           HD2      PHE  73  31.446 -11.020  -1.057
  562    HE1  PHE  73           HE1      PHE  73  31.243 -12.045  -5.923
  563    HE2  PHE  73           HE2      PHE  73  29.540 -12.308  -1.967
  564    HZ   PHE  73           HZ       PHE  73  29.416 -12.799  -4.381
  565    H    GLU  74           H        GLU  74  32.385  -8.756   0.142
  566    HA   GLU  74           HA       GLU  74  29.561  -8.790  -0.273
  567    HB2  GLU  74           HB2      GLU  74  31.001  -9.575   1.735
  568    HB3  GLU  74           HB3      GLU  74  30.904  -7.902   2.296
  569    HG2  GLU  74           HG2      GLU  74  28.405  -8.065   2.247
  570    HG3  GLU  74           HG3      GLU  74  28.545  -9.735   1.683
  571    H    LYS  75           H        LYS  75  31.749  -6.147   0.536
  572    HA   LYS  75           HA       LYS  75  29.701  -4.132   1.011
  573    HB2  LYS  75           HB2      LYS  75  32.704  -3.766   0.435
  574    HB3  LYS  75           HB3      LYS  75  31.568  -2.547   1.014
  575    HG2  LYS  75           HG2      LYS  75  32.297  -3.149   3.071
  576    HG3  LYS  75           HG3      LYS  75  31.101  -4.428   2.909
  577    HD2  LYS  75           HD2      LYS  75  33.150  -5.775   1.822
  578    HD3  LYS  75           HD3      LYS  75  34.115  -4.537   2.643
  579    HE2  LYS  75           HE2      LYS  75  32.810  -5.148   4.779
  580    HE3  LYS  75           HE3      LYS  75  32.121  -6.501   3.868
  581    HZ1  LYS  75           HZ1      LYS  75  35.006  -6.073   4.494
  582    HZ2  LYS  75           HZ2      LYS  75  34.060  -7.273   5.063
  583    HZ3  LYS  75           HZ3      LYS  75  34.495  -7.246   3.475
  584    H    THR  76           H        THR  76  31.836  -4.902  -1.732
  585    HA   THR  76           HA       THR  76  30.784  -3.024  -3.600
  586    HB   THR  76           HB       THR  76  32.192  -5.694  -3.953
  587    HG1  THR  76           HG1      THR  76  33.924  -4.476  -3.879
  588   HG21  THR  76          HG21      THR  76  31.471  -3.576  -6.031
  589   HG22  THR  76          HG22      THR  76  32.759  -4.795  -6.254
  590   HG23  THR  76          HG23      THR  76  31.073  -5.304  -6.072
  591    H    VAL  77           H        VAL  77  29.661  -6.364  -2.841
  592    HA   VAL  77           HA       VAL  77  27.537  -6.430  -4.790
  593    HB   VAL  77           HB       VAL  77  27.937  -7.853  -2.140
  594   HG11  VAL  77          HG11      VAL  77  25.618  -8.174  -4.086
  595   HG12  VAL  77          HG12      VAL  77  26.019  -9.308  -2.776
  596   HG13  VAL  77          HG13      VAL  77  25.500  -7.683  -2.377
  597   HG21  VAL  77          HG21      VAL  77  29.299  -8.496  -4.209
  598   HG22  VAL  77          HG22      VAL  77  28.335  -9.787  -3.493
  599   HG23  VAL  77          HG23      VAL  77  27.763  -8.971  -4.964
  600    H    VAL  78           H        VAL  78  27.433  -5.458  -1.296
  601    HA   VAL  78           HA       VAL  78  24.676  -4.696  -1.369
  602    HB   VAL  78           HB       VAL  78  26.949  -3.859   0.467
  603   HG11  VAL  78          HG11      VAL  78  23.958  -3.325   0.787
  604   HG12  VAL  78          HG12      VAL  78  25.172  -3.148   2.072
  605   HG13  VAL  78          HG13      VAL  78  25.244  -2.103   0.656
  606   HG21  VAL  78          HG21      VAL  78  26.250  -6.272   0.505
  607   HG22  VAL  78          HG22      VAL  78  25.902  -5.436   2.020
  608   HG23  VAL  78          HG23      VAL  78  24.590  -5.762   0.863
  609    H    ALA  79           H        ALA  79  27.622  -2.814  -2.045
  610    HA   ALA  79           HA       ALA  79  26.279  -0.280  -2.322
  611    HB1  ALA  79           HB1      ALA  79  28.942  -1.309  -3.391
  612    HB2  ALA  79           HB2      ALA  79  28.464   0.406  -3.231
  613    HB3  ALA  79           HB3      ALA  79  28.669  -0.602  -1.784
  614    H    ALA  80           H        ALA  80  26.959  -2.932  -4.667
  615    HA   ALA  80           HA       ALA  80  26.225  -1.442  -7.009
  616    HB1  ALA  80           HB1      ALA  80  26.028  -4.441  -6.449
  617    HB2  ALA  80           HB2      ALA  80  26.051  -3.657  -8.043
  618    HB3  ALA  80           HB3      ALA  80  27.490  -3.596  -7.000
  619    H    LEU  81           H        LEU  81  24.262  -2.960  -4.493
  620    HA   LEU  81           HA       LEU  81  21.788  -3.167  -5.967
  621    HB2  LEU  81           HB2      LEU  81  22.038  -2.545  -2.999
  622    HB3  LEU  81           HB3      LEU  81  20.698  -3.314  -3.820
  623    HG   LEU  81           HG       LEU  81  23.445  -4.542  -3.470
  624   HD11  LEU  81          HD11      LEU  81  20.893  -5.074  -1.933
  625   HD12  LEU  81          HD12      LEU  81  22.453  -5.916  -1.745
  626   HD13  LEU  81          HD13      LEU  81  22.314  -4.202  -1.320
  627   HD21  LEU  81          HD21      LEU  81  22.194  -5.511  -5.383
  628   HD22  LEU  81          HD22      LEU  81  22.392  -6.667  -4.055
  629   HD23  LEU  81          HD23      LEU  81  20.836  -5.861  -4.284
  630    H    ILE  82           H        ILE  82  23.091  -0.624  -3.839
  631    HA   ILE  82           HA       ILE  82  20.983   1.295  -4.284
  632    HB   ILE  82           HB       ILE  82  23.839   1.711  -3.302
  633   HG12  ILE  82          HG12      ILE  82  21.260   1.330  -1.704
  634   HG13  ILE  82          HG13      ILE  82  22.487   0.086  -1.927
  635   HG21  ILE  82          HG21      ILE  82  21.376   3.508  -3.047
  636   HG22  ILE  82          HG22      ILE  82  22.967   3.822  -2.321
  637   HG23  ILE  82          HG23      ILE  82  22.796   3.835  -4.063
  638   HD11  ILE  82          HD11      ILE  82  22.844   2.679  -0.395
  639   HD12  ILE  82          HD12      ILE  82  22.823   1.026   0.228
  640   HD13  ILE  82          HD13      ILE  82  24.170   1.556  -0.798
  641    H    GLN  83           H        GLN  83  24.268   0.947  -5.721
  642    HA   GLN  83           HA       GLN  83  24.029   3.271  -7.375
  643    HB2  GLN  83           HB2      GLN  83  25.819   0.811  -7.556
  644    HB3  GLN  83           HB3      GLN  83  25.999   2.228  -8.600
  645    HG2  GLN  83           HG2      GLN  83  26.400   3.689  -6.733
  646    HG3  GLN  83           HG3      GLN  83  26.051   2.432  -5.554
  647   HE21  GLN  83          HE21      GLN  83  29.194   0.733  -6.011
  648   HE22  GLN  83          HE22      GLN  83  27.476   0.432  -5.680
  649    H    THR  84           H        THR  84  22.907  -0.027  -7.914
  650    HA   THR  84           HA       THR  84  22.291   0.226 -10.723
  651    HB   THR  84           HB       THR  84  21.020  -1.477  -8.550
  652    HG1  THR  84           HG1      THR  84  23.116  -2.059  -8.907
  653   HG21  THR  84          HG21      THR  84  20.851  -1.764 -11.556
  654   HG22  THR  84          HG22      THR  84  20.250  -2.907 -10.345
  655   HG23  THR  84          HG23      THR  84  19.492  -1.313 -10.510
  656    H    GLU  85           H        GLU  85  20.292   0.951  -7.740
  657    HA   GLU  85           HA       GLU  85  18.117   1.882  -9.485
  658    HB2  GLU  85           HB2      GLU  85  16.923   2.469  -7.555
  659    HB3  GLU  85           HB3      GLU  85  17.588   0.859  -7.324
  660    HG2  GLU  85           HG2      GLU  85  19.168   1.619  -5.722
  661    HG3  GLU  85           HG3      GLU  85  18.957   3.315  -6.160
  662    H    GLU  86           H        GLU  86  20.836   3.479  -7.811
  663    HA   GLU  86           HA       GLU  86  19.946   6.144  -8.079
  664    HB2  GLU  86           HB2      GLU  86  22.699   4.903  -8.068
  665    HB3  GLU  86           HB3      GLU  86  22.475   6.649  -8.169
  666    HG2  GLU  86           HG2      GLU  86  21.055   5.089  -6.006
  667    HG3  GLU  86           HG3      GLU  86  22.759   5.508  -5.825
  668    H    ALA  87           H        ALA  87  21.314   4.067 -10.606
  669    HA   ALA  87           HA       ALA  87  21.603   6.107 -12.623
  670    HB1  ALA  87           HB1      ALA  87  20.931   3.133 -12.899
  671    HB2  ALA  87           HB2      ALA  87  21.566   4.195 -14.167
  672    HB3  ALA  87           HB3      ALA  87  22.576   3.811 -12.755
  673    H    LEU  88           H        LEU  88  18.845   4.121 -11.544
  674    HA   LEU  88           HA       LEU  88  17.114   5.026 -13.750
  675    HB2  LEU  88           HB2      LEU  88  16.505   3.216 -11.395
  676    HB3  LEU  88           HB3      LEU  88  15.538   3.395 -12.856
  677    HG   LEU  88           HG       LEU  88  18.292   2.105 -12.601
  678   HD11  LEU  88          HD11      LEU  88  15.585   0.991 -13.401
  679   HD12  LEU  88          HD12      LEU  88  17.104   0.085 -13.200
  680   HD13  LEU  88          HD13      LEU  88  16.334   0.830 -11.792
  681   HD21  LEU  88          HD21      LEU  88  18.271   3.177 -14.752
  682   HD22  LEU  88          HD22      LEU  88  17.939   1.461 -15.009
  683   HD23  LEU  88          HD23      LEU  88  16.598   2.622 -15.075
  684    H    ASN  89           H        ASN  89  17.694   5.831 -10.455
  685    HA   ASN  89           HA       ASN  89  15.255   6.998  -9.694
  686    HB2  ASN  89           HB2      ASN  89  18.082   7.016  -8.771
  687    HB3  ASN  89           HB3      ASN  89  17.177   8.391  -8.241
  688   HD21  ASN  89          HD21      ASN  89  16.620   4.958  -6.338
  689   HD22  ASN  89          HD22      ASN  89  17.733   5.137  -7.698
  690    H    ARG  90           H        ARG  90  17.751   8.426 -11.725
  691    HA   ARG  90           HA       ARG  90  16.147  10.945 -11.895
  692    HB2  ARG  90           HB2      ARG  90  18.622  10.869 -11.352
  693    HB3  ARG  90           HB3      ARG  90  18.923  10.412 -13.020
  694    HG2  ARG  90           HG2      ARG  90  17.197  12.843 -12.537
  695    HG3  ARG  90           HG3      ARG  90  18.876  12.975 -12.040
  696    HD2  ARG  90           HD2      ARG  90  18.098  12.054 -14.821
  697    HD3  ARG  90           HD3      ARG  90  18.281  13.755 -14.412
  698    HE   ARG  90           HE       ARG  90  20.399  11.737 -14.725
  699   HH11  ARG  90          HH11      ARG  90  19.753  14.960 -13.487
  700   HH12  ARG  90          HH12      ARG  90  21.437  15.402 -13.515
  701   HH21  ARG  90          HH21      ARG  90  22.524  12.367 -14.718
  702   HH22  ARG  90          HH22      ARG  90  22.960  13.967 -14.197
  703    H    ARG  91           H        ARG  91  16.276   8.031 -13.501
  704    HA   ARG  91           HA       ARG  91  15.678   9.063 -16.245
  705    HB2  ARG  91           HB2      ARG  91  15.770   6.246 -15.094
  706    HB3  ARG  91           HB3      ARG  91  15.358   6.616 -16.766
  707    HG2  ARG  91           HG2      ARG  91  17.558   7.487 -17.222
  708    HG3  ARG  91           HG3      ARG  91  18.018   7.384 -15.527
  709    HD2  ARG  91           HD2      ARG  91  18.732   5.221 -15.868
  710    HD3  ARG  91           HD3      ARG  91  17.086   4.773 -16.180
  711    HE   ARG  91           HE       ARG  91  17.484   4.701 -18.461
  712   HH11  ARG  91          HH11      ARG  91  20.237   6.366 -17.043
  713   HH12  ARG  91          HH12      ARG  91  21.165   6.254 -18.510
  714   HH21  ARG  91          HH21      ARG  91  18.715   4.629 -20.297
  715   HH22  ARG  91          HH22      ARG  91  20.315   5.304 -20.309
  716    H    GLN  92           H        GLN  92  14.043   7.103 -13.778
  717    HA   GLN  92           HA       GLN  92  11.372   7.897 -14.892
  718    HB2  GLN  92           HB2      GLN  92  10.704   5.516 -14.845
  719    HB3  GLN  92           HB3      GLN  92  11.878   5.935 -16.088
  720    HG2  GLN  92           HG2      GLN  92  13.666   4.811 -14.953
  721    HG3  GLN  92           HG3      GLN  92  12.736   4.636 -13.465
  722   HE21  GLN  92          HE21      GLN  92  10.735   1.907 -14.749
  723   HE22  GLN  92          HE22      GLN  92  10.694   3.234 -13.597
  724    H    ILE  93           H        ILE  93  13.037   6.397 -12.095
  725    HA   ILE  93           HA       ILE  93  10.602   6.232 -10.540
  726    HB   ILE  93           HB       ILE  93  13.316   6.437  -9.232
  727   HG12  ILE  93          HG12      ILE  93  12.206   3.970 -10.649
  728   HG13  ILE  93          HG13      ILE  93  13.685   4.838 -11.074
  729   HG21  ILE  93          HG21      ILE  93  10.827   4.797  -8.619
  730   HG22  ILE  93          HG22      ILE  93  12.275   4.942  -7.593
  731   HG23  ILE  93          HG23      ILE  93  11.252   6.341  -7.839
  732   HD11  ILE  93          HD11      ILE  93  13.268   3.169  -8.585
  733   HD12  ILE  93          HD12      ILE  93  14.339   2.860  -9.954
  734   HD13  ILE  93          HD13      ILE  93  14.679   4.223  -8.871
  735    H    ASN  94           H        ASN  94  12.687   8.864 -11.295
  736    HA   ASN  94           HA       ASN  94  12.302  10.668  -9.223
  737    HB2  ASN  94           HB2      ASN  94  13.562  10.705 -11.679
  738    HB3  ASN  94           HB3      ASN  94  12.198  11.728 -12.057
  739   HD21  ASN  94          HD21      ASN  94  15.168  13.009  -9.550
  740   HD22  ASN  94          HD22      ASN  94  14.957  11.283  -9.884
  741    H    GLN  95           H        GLN  95  10.094  10.067 -12.000
  742    HA   GLN  95           HA       GLN  95   8.183  12.105 -11.227
  743    HB2  GLN  95           HB2      GLN  95   7.897   9.677 -13.048
  744    HB3  GLN  95           HB3      GLN  95   6.689  10.952 -12.851
  745    HG2  GLN  95           HG2      GLN  95   8.382  12.639 -13.627
  746    HG3  GLN  95           HG3      GLN  95   9.510  11.324 -13.951
  747   HE21  GLN  95          HE21      GLN  95   7.775  10.236 -16.907
  748   HE22  GLN  95          HE22      GLN  95   8.904   9.744 -15.650
  749    H    ALA  96           H        ALA  96   8.440   8.595 -10.599
  750    HA   ALA  96           HA       ALA  96   5.906   8.309  -9.300
  751    HB1  ALA  96           HB1      ALA  96   8.462   6.670  -8.990
  752    HB2  ALA  96           HB2      ALA  96   6.828   6.173  -8.513
  753    HB3  ALA  96           HB3      ALA  96   7.205   6.428 -10.226
  754    H    LEU  97           H        LEU  97   9.205   8.870  -7.911
  755    HA   LEU  97           HA       LEU  97   8.196   9.017  -5.215
  756    HB2  LEU  97           HB2      LEU  97  10.379   9.574  -4.543
  757    HB3  LEU  97           HB3      LEU  97  10.450   8.347  -5.794
  758    HG   LEU  97           HG       LEU  97  10.890  10.443  -7.369
  759   HD11  LEU  97          HD11      LEU  97  12.033  11.399  -4.704
  760   HD12  LEU  97          HD12      LEU  97  12.267  12.161  -6.290
  761   HD13  LEU  97          HD13      LEU  97  10.673  12.168  -5.540
  762   HD21  LEU  97          HD21      LEU  97  12.450   8.574  -7.043
  763   HD22  LEU  97          HD22      LEU  97  13.325  10.111  -7.031
  764   HD23  LEU  97          HD23      LEU  97  12.991   9.268  -5.502
  765    H    LEU  98           H        LEU  98   8.699  11.507  -7.664
  766    HA   LEU  98           HA       LEU  98   8.176  13.776  -5.969
  767    HB2  LEU  98           HB2      LEU  98   9.254  14.024  -8.144
  768    HB3  LEU  98           HB3      LEU  98   7.851  13.319  -8.959
  769    HG   LEU  98           HG       LEU  98   6.464  15.251  -8.249
  770   HD11  LEU  98          HD11      LEU  98   9.115  16.412  -7.271
  771   HD12  LEU  98          HD12      LEU  98   7.590  17.311  -7.438
  772   HD13  LEU  98          HD13      LEU  98   7.716  16.005  -6.255
  773   HD21  LEU  98          HD21      LEU  98   7.554  15.207 -10.455
  774   HD22  LEU  98          HD22      LEU  98   7.461  16.860  -9.826
  775   HD23  LEU  98          HD23      LEU  98   9.004  15.976  -9.769
  776    H    SER  99           H        SER  99   6.058  11.682  -7.966
  777    HA   SER  99           HA       SER  99   3.685  13.138  -7.514
  778    HB2  SER  99           HB2      SER  99   4.033  11.484  -9.323
  779    HB3  SER  99           HB3      SER  99   4.006  10.173  -8.124
  780    HG   SER  99           HG       SER  99   1.952  10.533  -9.172
  781    H    THR 100           H        THR 100   5.307  10.773  -5.474
  782    HA   THR 100           HA       THR 100   3.806  11.296  -3.188
  783    HB   THR 100           HB       THR 100   1.954  10.085  -4.078
  784    HG1  THR 100           HG1      THR 100   1.750   8.557  -2.467
  785   HG21  THR 100          HG21      THR 100   3.643   7.584  -4.454
  786   HG22  THR 100          HG22      THR 100   1.911   7.790  -4.759
  787   HG23  THR 100          HG23      THR 100   3.084   8.634  -5.774
  788    H    GLY 101           H        GLY 101   5.481  11.396  -2.061
  789    HA2  GLY 101           HA2      GLY 101   6.704  10.379  -0.283
  790    HA3  GLY 101           HA3      GLY 101   6.760   8.863  -1.176
  791    H    ASP 102           H        ASP 102   7.916  12.243  -1.457
  792    HA   ASP 102           HA       ASP 102  10.275  11.746  -2.954
  793    HB2  ASP 102           HB2      ASP 102   9.819  13.874  -0.832
  794    HB3  ASP 102           HB3      ASP 102  11.153  13.831  -1.981
  795    H    LEU 103           H        LEU 103  12.518  11.871  -2.272
  796    HA   LEU 103           HA       LEU 103  13.116   9.931  -0.244
  797    HB2  LEU 103           HB2      LEU 103  15.198   9.838  -1.122
  798    HB3  LEU 103           HB3      LEU 103  14.279  10.411  -2.509
  799    HG   LEU 103           HG       LEU 103  16.002  12.150  -0.677
  800   HD11  LEU 103          HD11      LEU 103  16.508  11.103  -3.494
  801   HD12  LEU 103          HD12      LEU 103  17.545  12.239  -2.605
  802   HD13  LEU 103          HD13      LEU 103  17.342  10.584  -2.013
  803   HD21  LEU 103          HD21      LEU 103  14.202  13.468  -1.739
  804   HD22  LEU 103          HD22      LEU 103  15.761  13.862  -2.459
  805   HD23  LEU 103          HD23      LEU 103  14.633  12.802  -3.333
  806    H    ALA 104           H        ALA 104  14.519  10.119   1.534
  807    HA   ALA 104           HA       ALA 104  15.153  12.744   2.676
  808    HB1  ALA 104           HB1      ALA 104  13.238  10.829   4.098
  809    HB2  ALA 104           HB2      ALA 104  13.827  12.381   4.737
  810    HB3  ALA 104           HB3      ALA 104  12.763  12.358   3.324
  811    H    HIS 105           H        HIS 105  16.633  10.279   1.861
  812    HA   HIS 105           HA       HIS 105  17.768   9.346   4.484
  813    HB2  HIS 105           HB2      HIS 105  16.675   7.614   3.182
  814    HB3  HIS 105           HB3      HIS 105  17.682   7.974   1.781
  815    HD2  HIS 105           HD2      HIS 105  19.933   6.684   1.597
  816    HE1  HIS 105           HE1      HIS 105  20.199   5.130   5.562
  817    HE2  HIS 105           HE2      HIS 105  21.264   5.118   3.248
  818    H    ASP 106           H        ASP 106  18.885   9.990   1.128
  819    HA   ASP 106           HA       ASP 106  21.341  11.286   2.098
  820    HB2  ASP 106           HB2      ASP 106  21.891   8.888   2.271
  821    HB3  ASP 106           HB3      ASP 106  21.403   8.631   0.599
  822    H    GLU 107           H        GLU 107  20.662  13.114   0.942
  823    HA   GLU 107           HA       GLU 107  19.789  12.935  -1.833
  824    HB2  GLU 107           HB2      GLU 107  20.430  15.316  -0.057
  825    HB3  GLU 107           HB3      GLU 107  19.765  15.417  -1.690
  826    HG2  GLU 107           HG2      GLU 107  17.784  14.109  -0.988
  827    HG3  GLU 107           HG3      GLU 107  18.413  14.019   0.657
  828    H    PHE 108           H        PHE 108  22.791  14.085  -0.267
  829    HA   PHE 108           HA       PHE 108  24.299  13.892  -2.796
  830    HB2  PHE 108           HB2      PHE 108  24.056  16.461  -1.183
  831    HB3  PHE 108           HB3      PHE 108  25.266  16.167  -2.416
  832    HD1  PHE 108           HD1      PHE 108  21.818  17.163  -1.798
  833    HD2  PHE 108           HD2      PHE 108  24.577  15.814  -4.823
  834    HE1  PHE 108           HE1      PHE 108  20.283  17.995  -3.569
  835    HE2  PHE 108           HE2      PHE 108  23.042  16.647  -6.595
  836    HZ   PHE 108           HZ       PHE 108  20.893  17.736  -5.968
  Start of MODEL    2
    1    H1   ALA   1           H1       ALA   1  -3.237  -1.162  -1.213
    2    H2   ALA   1           H2       ALA   1  -4.260  -1.526  -2.439
    3    H3   ALA   1           H3       ALA   1  -3.799   0.026  -2.192
    4    HA   ALA   1           HA       ALA   1  -2.640  -0.888  -4.089
    5    HB1  ALA   1           HB1      ALA   1  -0.800  -0.390  -1.698
    6    HB2  ALA   1           HB2      ALA   1  -0.341  -0.298  -3.412
    7    HB3  ALA   1           HB3      ALA   1  -1.504   0.860  -2.749
    8    H    VAL   2           H        VAL   2  -0.975  -2.352  -4.899
    9    HA   VAL   2           HA       VAL   2  -0.591  -4.896  -3.373
   10    HB   VAL   2           HB       VAL   2  -1.440  -4.716  -6.293
   11   HG11  VAL   2          HG11      VAL   2  -0.799  -7.140  -4.550
   12   HG12  VAL   2          HG12      VAL   2  -1.516  -7.203  -6.174
   13   HG13  VAL   2          HG13      VAL   2   0.119  -6.586  -5.973
   14   HG21  VAL   2          HG21      VAL   2  -3.381  -4.396  -4.831
   15   HG22  VAL   2          HG22      VAL   2  -3.437  -6.001  -5.556
   16   HG23  VAL   2          HG23      VAL   2  -2.920  -5.819  -3.865
   17    H    GLU   3           H        GLU   3   1.464  -5.610  -3.407
   18    HA   GLU   3           HA       GLU   3   3.270  -4.935  -5.642
   19    HB2  GLU   3           HB2      GLU   3   5.077  -4.453  -4.017
   20    HB3  GLU   3           HB3      GLU   3   3.831  -3.216  -4.138
   21    HG2  GLU   3           HG2      GLU   3   2.822  -4.041  -2.003
   22    HG3  GLU   3           HG3      GLU   3   4.116  -5.233  -1.868
   23    H    VAL   4           H        VAL   4   4.161  -6.727  -6.405
   24    HA   VAL   4           HA       VAL   4   4.846  -9.023  -4.658
   25    HB   VAL   4           HB       VAL   4   3.107  -9.298  -7.150
   26   HG11  VAL   4          HG11      VAL   4   4.059 -11.390  -5.135
   27   HG12  VAL   4          HG12      VAL   4   2.892 -11.680  -6.441
   28   HG13  VAL   4          HG13      VAL   4   4.553 -11.277  -6.843
   29   HG21  VAL   4          HG21      VAL   4   1.697  -8.464  -5.338
   30   HG22  VAL   4          HG22      VAL   4   1.338 -10.158  -5.640
   31   HG23  VAL   4          HG23      VAL   4   2.330  -9.708  -4.236
   32    H    GLU   5           H        GLU   5   6.492 -10.340  -5.572
   33    HA   GLU   5           HA       GLU   5   8.285  -9.030  -7.455
   34    HB2  GLU   5           HB2      GLU   5   8.447 -11.709  -6.029
   35    HB3  GLU   5           HB3      GLU   5   9.743 -10.983  -6.993
   36    HG2  GLU   5           HG2      GLU   5   9.819  -9.040  -5.476
   37    HG3  GLU   5           HG3      GLU   5   8.537  -9.741  -4.487
   38    H    VAL   6           H        VAL   6   6.204  -9.215  -8.961
   39    HA   VAL   6           HA       VAL   6   5.922 -11.666 -10.493
   40    HB   VAL   6           HB       VAL   6   4.763  -8.890 -10.744
   41   HG11  VAL   6          HG11      VAL   6   4.290 -11.243 -12.636
   42   HG12  VAL   6          HG12      VAL   6   3.289  -9.778 -12.550
   43   HG13  VAL   6          HG13      VAL   6   4.966  -9.657 -13.080
   44   HG21  VAL   6          HG21      VAL   6   3.897 -10.421  -9.004
   45   HG22  VAL   6          HG22      VAL   6   2.684 -10.064 -10.238
   46   HG23  VAL   6          HG23      VAL   6   3.527 -11.629 -10.247
   47    HA   PRO   7           HA       PRO   7   8.503  -9.735 -13.919
   48    HB2  PRO   7           HB2      PRO   7   9.631  -7.303 -13.888
   49    HB3  PRO   7           HB3      PRO   7   7.884  -7.487 -14.184
   50    HG2  PRO   7           HG2      PRO   7   9.238  -6.883 -11.533
   51    HG3  PRO   7           HG3      PRO   7   7.889  -5.980 -12.302
   52    HD2  PRO   7           HD2      PRO   7   7.454  -7.903 -10.417
   53    HD3  PRO   7           HD3      PRO   7   6.342  -7.682 -11.803
   54    H    GLY   8           H        GLY   8  10.796  -9.456 -14.421
   55    HA2  GLY   8           HA2      GLY   8  13.031  -8.919 -13.152
   56    HA3  GLY   8           HA3      GLY   8  12.631 -10.368 -12.237
   57    H    LEU   9           H        LEU   9  14.881  -9.683 -14.151
   58    HA   LEU   9           HA       LEU   9  14.887 -12.293 -15.481
   59    HB2  LEU   9           HB2      LEU   9  15.537 -11.447 -17.693
   60    HB3  LEU   9           HB3      LEU   9  13.901 -11.099 -17.197
   61    HG   LEU   9           HG       LEU   9  14.618  -8.727 -16.671
   62   HD11  LEU   9          HD11      LEU   9  17.071  -9.525 -18.288
   63   HD12  LEU   9          HD12      LEU   9  16.591  -7.856 -17.906
   64   HD13  LEU   9          HD13      LEU   9  17.055  -8.962 -16.610
   65   HD21  LEU   9          HD21      LEU   9  13.361  -9.350 -18.689
   66   HD22  LEU   9          HD22      LEU   9  14.510  -8.050 -19.039
   67   HD23  LEU   9          HD23      LEU   9  14.879  -9.716 -19.533
   68    H    LEU  10           H        LEU  10  16.263 -11.474 -13.197
   69    HA   LEU  10           HA       LEU  10  19.048 -10.907 -13.739
   70    HB2  LEU  10           HB2      LEU  10  17.578 -12.189 -11.415
   71    HB3  LEU  10           HB3      LEU  10  19.323 -12.182 -11.467
   72    HG   LEU  10           HG       LEU  10  17.925  -9.562 -11.886
   73   HD11  LEU  10          HD11      LEU  10  18.311 -10.880  -9.161
   74   HD12  LEU  10          HD12      LEU  10  17.864  -9.180  -9.427
   75   HD13  LEU  10          HD13      LEU  10  16.757 -10.470  -9.921
   76   HD21  LEU  10          HD21      LEU  10  20.413  -9.743 -12.005
   77   HD22  LEU  10          HD22      LEU  10  19.877  -8.686 -10.684
   78   HD23  LEU  10          HD23      LEU  10  20.426 -10.331 -10.318
   79    H    THR  11           H        THR  11  20.132 -12.114 -15.177
   80    HA   THR  11           HA       THR  11  20.069 -15.083 -14.875
   81    HB   THR  11           HB       THR  11  20.838 -13.391 -17.258
   82    HG1  THR  11           HG1      THR  11  19.012 -14.361 -18.129
   83   HG21  THR  11          HG21      THR  11  20.966 -16.408 -16.824
   84   HG22  THR  11          HG22      THR  11  20.968 -15.641 -18.424
   85   HG23  THR  11          HG23      THR  11  22.291 -15.315 -17.304
   86    H    ASP  12           H        ASP  12  21.810 -16.202 -14.433
   87    HA   ASP  12           HA       ASP  12  24.267 -15.005 -13.495
   88    HB2  ASP  12           HB2      ASP  12  24.916 -17.296 -13.049
   89    HB3  ASP  12           HB3      ASP  12  23.316 -16.961 -12.418
   90    H    HIS  13           H        HIS  13  24.329 -13.859 -15.755
   91    HA   HIS  13           HA       HIS  13  25.806 -15.392 -17.818
   92    HB2  HIS  13           HB2      HIS  13  24.880 -12.514 -17.610
   93    HB3  HIS  13           HB3      HIS  13  25.992 -13.051 -18.865
   94    HD2  HIS  13           HD2      HIS  13  24.723 -15.673 -19.921
   95    HE1  HIS  13           HE1      HIS  13  21.207 -13.358 -20.609
   96    HE2  HIS  13           HE2      HIS  13  22.445 -15.497 -21.230
   97    H    THR  14           H        THR  14  26.978 -15.748 -15.448
   98    HA   THR  14           HA       THR  14  29.445 -14.158 -15.567
   99    HB   THR  14           HB       THR  14  29.539 -14.093 -13.101
  100    HG1  THR  14           HG1      THR  14  27.631 -14.529 -11.961
  101   HG21  THR  14          HG21      THR  14  26.928 -12.851 -14.036
  102   HG22  THR  14          HG22      THR  14  27.965 -12.334 -12.694
  103   HG23  THR  14          HG23      THR  14  28.530 -12.155 -14.361
  104    H    VAL  15           H        VAL  15  31.366 -15.252 -15.368
  105    HA   VAL  15           HA       VAL  15  31.269 -18.168 -14.730
  106    HB   VAL  15           HB       VAL  15  32.615 -18.662 -16.718
  107   HG11  VAL  15          HG11      VAL  15  29.986 -17.314 -17.403
  108   HG12  VAL  15          HG12      VAL  15  30.800 -18.618 -18.294
  109   HG13  VAL  15          HG13      VAL  15  30.158 -18.922 -16.669
  110   HG21  VAL  15          HG21      VAL  15  33.593 -16.435 -17.216
  111   HG22  VAL  15          HG22      VAL  15  32.743 -17.117 -18.608
  112   HG23  VAL  15          HG23      VAL  15  31.984 -15.826 -17.653
  113    H    SER  16           H        SER  16  32.182 -16.230 -13.007
  114    HA   SER  16           HA       SER  16  35.140 -16.775 -12.831
  115    HB2  SER  16           HB2      SER  16  35.104 -14.517 -13.356
  116    HB3  SER  16           HB3      SER  16  33.570 -14.239 -12.522
  117    HG   SER  16           HG       SER  16  36.148 -14.233 -11.496
  118    H    SER  17           H        SER  17  36.029 -17.019 -10.684
  119    HA   SER  17           HA       SER  17  34.418 -18.460  -8.821
  120    HB2  SER  17           HB2      SER  17  36.373 -18.188  -7.305
  121    HB3  SER  17           HB3      SER  17  36.808 -18.765  -8.924
  122    HG   SER  17           HG       SER  17  38.210 -17.080  -8.229
  123    H    ILE  18           H        ILE  18  35.318 -15.029  -8.937
  124    HA   ILE  18           HA       ILE  18  33.607 -14.387  -6.583
  125    HB   ILE  18           HB       ILE  18  34.390 -11.968  -7.332
  126   HG12  ILE  18          HG12      ILE  18  36.777 -13.620  -8.263
  127   HG13  ILE  18          HG13      ILE  18  35.562 -12.925  -9.349
  128   HG21  ILE  18          HG21      ILE  18  36.193 -13.905  -5.831
  129   HG22  ILE  18          HG22      ILE  18  36.181 -12.130  -5.680
  130   HG23  ILE  18          HG23      ILE  18  34.785 -13.058  -5.150
  131   HD11  ILE  18          HD11      ILE  18  37.139 -11.170  -7.502
  132   HD12  ILE  18          HD12      ILE  18  37.692 -11.652  -9.128
  133   HD13  ILE  18          HD13      ILE  18  36.191 -10.764  -8.958
  134    H    GLY  19           H        GLY  19  33.637 -13.821 -10.151
  135    HA2  GLY  19           HA2      GLY  19  31.340 -12.083 -10.070
  136    HA3  GLY  19           HA3      GLY  19  31.956 -12.925 -11.489
  137    H    HIS  20           H        HIS  20  31.541 -15.640 -10.204
  138    HA   HIS  20           HA       HIS  20  28.722 -16.095 -10.738
  139    HB2  HIS  20           HB2      HIS  20  30.435 -17.814 -11.107
  140    HB3  HIS  20           HB3      HIS  20  30.790 -17.849  -9.376
  141    HD2  HIS  20           HD2      HIS  20  29.333 -19.414  -7.884
  142    HE1  HIS  20           HE1      HIS  20  26.355 -20.507 -10.740
  143    HE2  HIS  20           HE2      HIS  20  27.266 -20.969  -8.406
  144    H    ASP  21           H        ASP  21  30.672 -15.558  -7.760
  145    HA   ASP  21           HA       ASP  21  28.446 -16.115  -5.966
  146    HB2  ASP  21           HB2      ASP  21  31.199 -14.881  -5.606
  147    HB3  ASP  21           HB3      ASP  21  29.997 -14.921  -4.322
  148    H    PHE  22           H        PHE  22  29.807 -13.143  -7.498
  149    HA   PHE  22           HA       PHE  22  28.223 -11.237  -6.126
  150    HB2  PHE  22           HB2      PHE  22  30.024 -10.722  -7.784
  151    HB3  PHE  22           HB3      PHE  22  28.969 -11.228  -9.080
  152    HD1  PHE  22           HD1      PHE  22  26.873  -9.962  -9.579
  153    HD2  PHE  22           HD2      PHE  22  29.716  -8.499  -6.705
  154    HE1  PHE  22           HE1      PHE  22  25.846  -7.706  -9.724
  155    HE2  PHE  22           HE2      PHE  22  28.742  -6.225  -6.907
  156    HZ   PHE  22           HZ       PHE  22  26.806  -5.834  -8.420
  157    H    TYR  23           H        TYR  23  27.309 -13.230  -8.968
  158    HA   TYR  23           HA       TYR  23  24.735 -12.135  -9.398
  159    HB2  TYR  23           HB2      TYR  23  25.670 -13.733 -10.958
  160    HB3  TYR  23           HB3      TYR  23  25.716 -14.992  -9.717
  161    HD1  TYR  23           HD1      TYR  23  23.384 -12.873 -11.722
  162    HD2  TYR  23           HD2      TYR  23  23.864 -16.385  -9.281
  163    HE1  TYR  23           HE1      TYR  23  21.022 -13.493 -12.161
  164    HE2  TYR  23           HE2      TYR  23  21.508 -17.045  -9.764
  165    HH   TYR  23           HH       TYR  23  19.348 -15.096 -11.852
  166    H    ARG  24           H        ARG  24  25.583 -14.888  -7.266
  167    HA   ARG  24           HA       ARG  24  22.892 -15.254  -6.272
  168    HB2  ARG  24           HB2      ARG  24  25.513 -16.167  -4.989
  169    HB3  ARG  24           HB3      ARG  24  23.890 -16.787  -4.672
  170    HG2  ARG  24           HG2      ARG  24  23.826 -17.409  -7.199
  171    HG3  ARG  24           HG3      ARG  24  25.555 -17.080  -7.202
  172    HD2  ARG  24           HD2      ARG  24  25.321 -19.422  -6.901
  173    HD3  ARG  24           HD3      ARG  24  25.842 -18.748  -5.345
  174    HE   ARG  24           HE       ARG  24  22.948 -18.931  -5.530
  175   HH11  ARG  24          HH11      ARG  24  25.727 -20.984  -4.929
  176   HH12  ARG  24          HH12      ARG  24  24.785 -22.151  -4.043
  177   HH21  ARG  24          HH21      ARG  24  21.814 -20.446  -4.370
  178   HH22  ARG  24          HH22      ARG  24  22.625 -21.848  -3.740
  179    H    ALA  25           H        ALA  25  25.737 -13.617  -4.886
  180    HA   ALA  25           HA       ALA  25  24.468 -12.852  -2.432
  181    HB1  ALA  25           HB1      ALA  25  26.786 -11.526  -3.907
  182    HB2  ALA  25           HB2      ALA  25  26.413 -11.405  -2.169
  183    HB3  ALA  25           HB3      ALA  25  26.940 -12.953  -2.851
  184    H    PHE  26           H        PHE  26  24.786 -11.061  -5.564
  185    HA   PHE  26           HA       PHE  26  23.492  -8.691  -4.653
  186    HB2  PHE  26           HB2      PHE  26  24.822  -8.799  -6.696
  187    HB3  PHE  26           HB3      PHE  26  23.726  -9.948  -7.423
  188    HD1  PHE  26           HD1      PHE  26  21.226  -9.129  -7.807
  189    HD2  PHE  26           HD2      PHE  26  24.570  -6.487  -7.130
  190    HE1  PHE  26           HE1      PHE  26  19.940  -7.260  -8.766
  191    HE2  PHE  26           HE2      PHE  26  23.295  -4.628  -8.187
  192    HZ   PHE  26           HZ       PHE  26  20.965  -5.019  -8.991
  193    H    SER  27           H        SER  27  22.118 -11.594  -6.327
  194    HA   SER  27           HA       SER  27  19.452 -10.560  -6.336
  195    HB2  SER  27           HB2      SER  27  18.730 -12.718  -7.039
  196    HB3  SER  27           HB3      SER  27  20.246 -12.321  -7.869
  197    HG   SER  27           HG       SER  27  20.197 -14.493  -7.049
  198    H    ASP  28           H        ASP  28  21.180 -12.454  -3.877
  199    HA   ASP  28           HA       ASP  28  18.974 -13.080  -2.197
  200    HB2  ASP  28           HB2      ASP  28  21.951 -12.716  -1.795
  201    HB3  ASP  28           HB3      ASP  28  20.915 -12.882  -0.394
  202    H    LYS  29           H        LYS  29  20.806 -10.025  -2.456
  203    HA   LYS  29           HA       LYS  29  18.920  -8.853  -0.443
  204    HB2  LYS  29           HB2      LYS  29  20.843  -6.990  -0.423
  205    HB3  LYS  29           HB3      LYS  29  20.673  -8.280   0.717
  206    HG2  LYS  29           HG2      LYS  29  22.430  -8.577  -1.738
  207    HG3  LYS  29           HG3      LYS  29  22.993  -7.711  -0.321
  208    HD2  LYS  29           HD2      LYS  29  22.152 -10.635  -0.303
  209    HD3  LYS  29           HD3      LYS  29  23.804 -10.024  -0.352
  210    HE2  LYS  29           HE2      LYS  29  23.451  -8.867   1.830
  211    HE3  LYS  29           HE3      LYS  29  21.810  -9.514   1.909
  212    HZ1  LYS  29           HZ1      LYS  29  24.286 -11.179   1.881
  213    HZ2  LYS  29           HZ2      LYS  29  23.356 -10.886   3.186
  214    HZ3  LYS  29           HZ3      LYS  29  22.758 -11.772   1.957
  215    H    TRP  30           H        TRP  30  19.154  -8.937  -3.673
  216    HA   TRP  30           HA       TRP  30  18.721  -6.273  -4.463
  217    HB2  TRP  30           HB2      TRP  30  19.163  -8.067  -6.040
  218    HB3  TRP  30           HB3      TRP  30  17.617  -8.828  -5.657
  219    HD1  TRP  30           HD1      TRP  30  15.957  -8.433  -7.515
  220    HE1  TRP  30           HE1      TRP  30  15.327  -6.540  -9.123
  221    HE3  TRP  30           HE3      TRP  30  19.509  -4.996  -6.158
  222    HZ2  TRP  30           HZ2      TRP  30  16.212  -3.862  -9.711
  223    HZ3  TRP  30           HZ3      TRP  30  19.539  -2.762  -7.204
  224    HH2  TRP  30           HH2      TRP  30  17.938  -2.166  -8.986
  225    H    GLU  31           H        GLU  31  17.146  -4.861  -4.416
  226    HA   GLU  31           HA       GLU  31  14.342  -5.531  -3.956
  227    HB2  GLU  31           HB2      GLU  31  15.307  -5.423  -1.650
  228    HB3  GLU  31           HB3      GLU  31  15.874  -3.780  -1.974
  229    HG2  GLU  31           HG2      GLU  31  13.545  -3.018  -2.268
  230    HG3  GLU  31           HG3      GLU  31  12.959  -4.673  -2.083
  231    H    SER  32           H        SER  32  13.010  -3.938  -4.852
  232    HA   SER  32           HA       SER  32  14.255  -1.525  -6.071
  233    HB2  SER  32           HB2      SER  32  14.797  -3.327  -7.571
  234    HB3  SER  32           HB3      SER  32  13.100  -3.874  -7.599
  235    HG   SER  32           HG       SER  32  13.651  -2.527  -9.401
  236    H    ASP  33           H        ASP  33  12.835  -0.083  -7.004
  237    HA   ASP  33           HA       ASP  33   9.935  -0.330  -6.308
  238    HB2  ASP  33           HB2      ASP  33  11.280   1.465  -5.142
  239    HB3  ASP  33           HB3      ASP  33  11.508   2.227  -6.717
  240    H    TYR  34           H        TYR  34  12.028  -0.473  -8.973
  241    HA   TYR  34           HA       TYR  34   9.946   0.489 -10.871
  242    HB2  TYR  34           HB2      TYR  34  11.539   0.950 -12.412
  243    HB3  TYR  34           HB3      TYR  34  12.301   1.491 -10.945
  244    HD1  TYR  34           HD1      TYR  34  14.073  -0.020  -9.869
  245    HD2  TYR  34           HD2      TYR  34  12.680  -0.535 -13.921
  246    HE1  TYR  34           HE1      TYR  34  15.948  -1.562 -10.315
  247    HE2  TYR  34           HE2      TYR  34  14.580  -2.052 -14.376
  248    HH   TYR  34           HH       TYR  34  17.000  -2.893 -11.875
  249    H    THR  35           H        THR  35  10.533  -0.971 -13.094
  250    HA   THR  35           HA       THR  35   9.160  -3.407 -12.614
  251    HB   THR  35           HB       THR  35  10.654  -2.993 -15.174
  252    HG1  THR  35           HG1      THR  35   9.155  -1.398 -15.802
  253   HG21  THR  35          HG21      THR  35   7.713  -3.557 -14.530
  254   HG22  THR  35          HG22      THR  35   8.454  -3.582 -16.147
  255   HG23  THR  35          HG23      THR  35   8.921  -4.791 -14.947
  256    H    GLY  36           H        GLY  36  12.510  -2.882 -12.162
  257    HA2  GLY  36           HA2      GLY  36  14.156  -4.351 -11.546
  258    HA3  GLY  36           HA3      GLY  36  12.866  -5.546 -11.305
  259    H    ASN  37           H        ASN  37  13.485  -4.250 -14.491
  260    HA   ASN  37           HA       ASN  37  14.145  -6.965 -15.413
  261    HB2  ASN  37           HB2      ASN  37  13.699  -4.429 -17.009
  262    HB3  ASN  37           HB3      ASN  37  13.884  -6.061 -17.660
  263   HD21  ASN  37          HD21      ASN  37  10.594  -7.088 -16.444
  264   HD22  ASN  37          HD22      ASN  37  12.236  -7.709 -16.360
  265    H    LEU  38           H        LEU  38  16.158  -6.825 -14.130
  266    HA   LEU  38           HA       LEU  38  18.401  -5.763 -15.785
  267    HB2  LEU  38           HB2      LEU  38  19.633  -5.141 -13.979
  268    HB3  LEU  38           HB3      LEU  38  18.025  -4.551 -13.608
  269    HG   LEU  38           HG       LEU  38  19.385  -7.013 -12.394
  270   HD11  LEU  38          HD11      LEU  38  18.721  -4.264 -11.306
  271   HD12  LEU  38          HD12      LEU  38  19.207  -5.629 -10.296
  272   HD13  LEU  38          HD13      LEU  38  20.332  -5.009 -11.499
  273   HD21  LEU  38          HD21      LEU  38  16.951  -7.402 -12.400
  274   HD22  LEU  38          HD22      LEU  38  17.527  -7.047 -10.775
  275   HD23  LEU  38          HD23      LEU  38  16.686  -5.781 -11.698
  276    H    THR  39           H        THR  39  20.354  -6.846 -15.922
  277    HA   THR  39           HA       THR  39  20.531  -9.576 -14.766
  278    HB   THR  39           HB       THR  39  19.651  -9.752 -17.097
  279    HG1  THR  39           HG1      THR  39  21.422 -11.332 -17.547
  280   HG21  THR  39          HG21      THR  39  22.467  -8.937 -17.914
  281   HG22  THR  39          HG22      THR  39  21.175  -9.552 -18.966
  282   HG23  THR  39          HG23      THR  39  20.991  -7.976 -18.185
  283    H    ILE  40           H        ILE  40  22.754 -10.473 -14.952
  284    HA   ILE  40           HA       ILE  40  24.751  -8.319 -14.295
  285    HB   ILE  40           HB       ILE  40  24.247 -10.981 -12.934
  286   HG12  ILE  40          HG12      ILE  40  24.082  -8.187 -11.708
  287   HG13  ILE  40          HG13      ILE  40  22.675  -8.998 -12.384
  288   HG21  ILE  40          HG21      ILE  40  26.331  -8.902 -12.109
  289   HG22  ILE  40          HG22      ILE  40  26.091 -10.554 -11.477
  290   HG23  ILE  40          HG23      ILE  40  26.729 -10.328 -13.079
  291   HD11  ILE  40          HD11      ILE  40  24.344 -10.061 -10.086
  292   HD12  ILE  40          HD12      ILE  40  22.719  -9.354 -10.007
  293   HD13  ILE  40          HD13      ILE  40  22.955 -10.890 -10.846
  294    H    ASN  41           H        ASN  41  26.542  -8.411 -15.436
  295    HA   ASN  41           HA       ASN  41  27.263 -10.892 -16.933
  296    HB2  ASN  41           HB2      ASN  41  27.771  -8.035 -17.840
  297    HB3  ASN  41           HB3      ASN  41  27.869  -9.510 -18.788
  298   HD21  ASN  41          HD21      ASN  41  24.270  -7.569 -18.295
  299   HD22  ASN  41          HD22      ASN  41  25.656  -7.172 -17.284
  300    H    GLU  42           H        GLU  42  29.519 -11.486 -16.784
  301    HA   GLU  42           HA       GLU  42  31.299  -9.397 -15.674
  302    HB2  GLU  42           HB2      GLU  42  32.331 -10.805 -14.090
  303    HB3  GLU  42           HB3      GLU  42  30.616 -11.071 -13.910
  304    HG2  GLU  42           HG2      GLU  42  31.349 -13.223 -13.851
  305    HG3  GLU  42           HG3      GLU  42  31.057 -13.039 -15.589
  306    H    ARG  43           H        ARG  43  33.518  -9.524 -16.150
  307    HA   ARG  43           HA       ARG  43  34.223 -11.311 -18.426
  308    HB2  ARG  43           HB2      ARG  43  33.930  -8.950 -19.197
  309    HB3  ARG  43           HB3      ARG  43  35.280  -8.484 -18.160
  310    HG2  ARG  43           HG2      ARG  43  36.784 -10.031 -19.364
  311    HG3  ARG  43           HG3      ARG  43  35.427 -10.587 -20.365
  312    HD2  ARG  43           HD2      ARG  43  35.142  -8.296 -21.252
  313    HD3  ARG  43           HD3      ARG  43  36.529  -7.748 -20.284
  314    HE   ARG  43           HE       ARG  43  37.483  -9.915 -21.764
  315   HH11  ARG  43          HH11      ARG  43  36.148  -6.786 -22.620
  316   HH12  ARG  43          HH12      ARG  43  36.998  -6.738 -24.140
  317   HH21  ARG  43          HH21      ARG  43  38.533  -9.790 -23.717
  318   HH22  ARG  43          HH22      ARG  43  38.321  -8.397 -24.735
  319    HA   PRO  44           HA       PRO  44  37.126 -12.380 -15.209
  320    HB2  PRO  44           HB2      PRO  44  37.905 -14.812 -16.134
  321    HB3  PRO  44           HB3      PRO  44  36.267 -14.515 -15.492
  322    HG2  PRO  44           HG2      PRO  44  37.167 -14.564 -18.389
  323    HG3  PRO  44           HG3      PRO  44  35.746 -15.379 -17.654
  324    HD2  PRO  44           HD2      PRO  44  35.574 -12.956 -18.932
  325    HD3  PRO  44           HD3      PRO  44  34.525 -13.393 -17.555
  326    H    SER  45           H        SER  45  39.088 -11.511 -14.996
  327    HA   SER  45           HA       SER  45  41.005 -11.423 -17.285
  328    HB2  SER  45           HB2      SER  45  39.992  -9.024 -15.711
  329    HB3  SER  45           HB3      SER  45  41.329  -9.012 -16.881
  330    HG   SER  45           HG       SER  45  39.373  -8.350 -17.867
  331    H    ALA  46           H        ALA  46  42.610 -12.601 -16.418
  332    HA   ALA  46           HA       ALA  46  43.140 -12.882 -13.690
  333    HB1  ALA  46           HB1      ALA  46  44.959 -13.440 -16.077
  334    HB2  ALA  46           HB2      ALA  46  45.115 -14.158 -14.460
  335    HB3  ALA  46           HB3      ALA  46  43.694 -14.523 -15.452
  336    H    ARG  47           H        ARG  47  44.136 -10.237 -15.598
  337    HA   ARG  47           HA       ARG  47  46.384  -9.207 -14.216
  338    HB2  ARG  47           HB2      ARG  47  45.623  -7.029 -14.958
  339    HB3  ARG  47           HB3      ARG  47  45.343  -8.211 -16.232
  340    HG2  ARG  47           HG2      ARG  47  42.922  -8.367 -15.405
  341    HG3  ARG  47           HG3      ARG  47  43.252  -6.986 -14.364
  342    HD2  ARG  47           HD2      ARG  47  43.588  -6.968 -17.391
  343    HD3  ARG  47           HD3      ARG  47  42.125  -6.446 -16.536
  344    HE   ARG  47           HE       ARG  47  44.337  -5.027 -15.439
  345   HH11  ARG  47          HH11      ARG  47  42.516  -5.080 -18.439
  346   HH12  ARG  47          HH12      ARG  47  42.820  -3.395 -18.758
  347   HH21  ARG  47          HH21      ARG  47  44.696  -2.883 -15.919
  348   HH22  ARG  47          HH22      ARG  47  44.027  -2.192 -17.367
  349    H    ALA  48           H        ALA  48  43.057  -9.474 -13.059
  350    HA   ALA  48           HA       ALA  48  43.861  -8.605 -10.363
  351    HB1  ALA  48           HB1      ALA  48  42.049  -6.931 -12.150
  352    HB2  ALA  48           HB2      ALA  48  42.110  -6.754 -10.389
  353    HB3  ALA  48           HB3      ALA  48  43.556  -6.440 -11.362
  354    H    GLY  49           H        GLY  49  41.307 -10.064 -12.417
  355    HA2  GLY  49           HA2      GLY  49  40.074 -11.758 -10.754
  356    HA3  GLY  49           HA3      GLY  49  39.440 -10.242 -10.114
  357    H    SER  50           H        SER  50  37.576  -9.479 -10.999
  358    HA   SER  50           HA       SER  50  36.944 -10.123 -13.825
  359    HB2  SER  50           HB2      SER  50  34.560 -10.504 -13.172
  360    HB3  SER  50           HB3      SER  50  35.679 -11.803 -12.726
  361    HG   SER  50           HG       SER  50  34.365 -11.398 -10.987
  362    H    TRP  51           H        TRP  51  35.789  -8.645 -14.954
  363    HA   TRP  51           HA       TRP  51  35.019  -6.072 -13.655
  364    HB2  TRP  51           HB2      TRP  51  35.236  -7.078 -16.465
  365    HB3  TRP  51           HB3      TRP  51  33.887  -6.015 -16.128
  366    HD1  TRP  51           HD1      TRP  51  37.484  -5.910 -16.930
  367    HE1  TRP  51           HE1      TRP  51  38.373  -3.507 -16.817
  368    HE3  TRP  51           HE3      TRP  51  33.491  -3.692 -14.611
  369    HZ2  TRP  51           HZ2      TRP  51  37.426  -0.919 -15.918
  370    HZ3  TRP  51           HZ3      TRP  51  33.518  -1.246 -14.143
  371    HH2  TRP  51           HH2      TRP  51  35.459   0.141 -14.792
  372    H    ILE  52           H        ILE  52  32.960  -5.776 -12.909
  373    HA   ILE  52           HA       ILE  52  30.822  -7.730 -13.695
  374    HB   ILE  52           HB       ILE  52  30.942  -5.958 -11.221
  375   HG12  ILE  52          HG12      ILE  52  32.583  -7.711 -10.933
  376   HG13  ILE  52          HG13      ILE  52  31.185  -7.997  -9.905
  377   HG21  ILE  52          HG21      ILE  52  28.924  -8.070 -12.122
  378   HG22  ILE  52          HG22      ILE  52  28.987  -7.352 -10.500
  379   HG23  ILE  52          HG23      ILE  52  28.637  -6.330 -11.889
  380   HD11  ILE  52          HD11      ILE  52  31.628  -9.392 -12.568
  381   HD12  ILE  52          HD12      ILE  52  32.123 -10.056 -11.019
  382   HD13  ILE  52          HD13      ILE  52  30.394  -9.791 -11.355
  383    H    THR  53           H        THR  53  29.204  -6.969 -14.844
  384    HA   THR  53           HA       THR  53  28.699  -4.022 -15.030
  385    HB   THR  53           HB       THR  53  28.925  -5.951 -17.374
  386    HG1  THR  53           HG1      THR  53  30.779  -4.765 -17.855
  387   HG21  THR  53          HG21      THR  53  28.530  -2.927 -17.306
  388   HG22  THR  53          HG22      THR  53  28.737  -3.916 -18.762
  389   HG23  THR  53          HG23      THR  53  27.281  -4.103 -17.772
  390    H    ILE  54           H        ILE  54  26.651  -3.653 -14.469
  391    HA   ILE  54           HA       ILE  54  24.618  -5.803 -14.881
  392    HB   ILE  54           HB       ILE  54  24.776  -5.369 -12.632
  393   HG12  ILE  54          HG12      ILE  54  22.449  -5.565 -13.481
  394   HG13  ILE  54          HG13      ILE  54  22.652  -4.778 -11.928
  395   HG21  ILE  54          HG21      ILE  54  24.673  -2.406 -13.231
  396   HG22  ILE  54          HG22      ILE  54  24.429  -3.095 -11.605
  397   HG23  ILE  54          HG23      ILE  54  25.967  -3.340 -12.443
  398   HD11  ILE  54          HD11      ILE  54  21.916  -3.406 -14.546
  399   HD12  ILE  54          HD12      ILE  54  20.955  -3.570 -13.096
  400   HD13  ILE  54          HD13      ILE  54  22.378  -2.539 -13.064
  401    H    THR  55           H        THR  55  23.074  -5.608 -16.263
  402    HA   THR  55           HA       THR  55  22.701  -3.006 -17.669
  403    HB   THR  55           HB       THR  55  22.116  -4.430 -19.681
  404    HG1  THR  55           HG1      THR  55  22.589  -6.541 -19.650
  405   HG21  THR  55          HG21      THR  55  24.959  -4.666 -18.579
  406   HG22  THR  55          HG22      THR  55  24.480  -5.034 -20.247
  407   HG23  THR  55          HG23      THR  55  24.323  -3.387 -19.639
  408    H    VAL  56           H        VAL  56  20.674  -2.302 -18.069
  409    HA   VAL  56           HA       VAL  56  18.368  -3.884 -16.995
  410    HB   VAL  56           HB       VAL  56  18.794  -0.905 -17.266
  411   HG11  VAL  56          HG11      VAL  56  16.125  -2.357 -16.902
  412   HG12  VAL  56          HG12      VAL  56  16.401  -0.635 -16.558
  413   HG13  VAL  56          HG13      VAL  56  16.561  -1.227 -18.212
  414   HG21  VAL  56          HG21      VAL  56  19.414  -2.219 -15.182
  415   HG22  VAL  56          HG22      VAL  56  18.168  -0.984 -14.906
  416   HG23  VAL  56          HG23      VAL  56  17.714  -2.691 -15.031
  417    H    ASN  57           H        ASN  57  17.310  -4.914 -18.396
  418    HA   ASN  57           HA       ASN  57  16.650  -5.913 -20.303
  419    HB2  ASN  57           HB2      ASN  57  16.293  -3.083 -21.363
  420    HB3  ASN  57           HB3      ASN  57  15.674  -4.545 -22.110
  421   HD21  ASN  57          HD21      ASN  57  13.530  -2.860 -19.188
  422   HD22  ASN  57          HD22      ASN  57  14.962  -2.102 -19.870
  423    H    GLN  58           H        GLN  58  18.427  -3.225 -21.789
  424    HA   GLN  58           HA       GLN  58  20.498  -5.038 -22.886
  425    HB2  GLN  58           HB2      GLN  58  20.146  -4.197 -25.173
  426    HB3  GLN  58           HB3      GLN  58  18.753  -5.082 -24.566
  427    HG2  GLN  58           HG2      GLN  58  17.511  -3.022 -24.164
  428    HG3  GLN  58           HG3      GLN  58  18.922  -2.036 -24.550
  429   HE21  GLN  58          HE21      GLN  58  18.551  -2.466 -28.114
  430   HE22  GLN  58          HE22      GLN  58  19.723  -2.097 -26.857
  431    H    ASP  59           H        ASP  59  20.031  -2.407 -21.085
  432    HA   ASP  59           HA       ASP  59  22.190  -0.727 -22.332
  433    HB2  ASP  59           HB2      ASP  59  19.737   0.014 -20.698
  434    HB3  ASP  59           HB3      ASP  59  21.057   1.124 -21.030
  435    H    VAL  60           H        VAL  60  24.009  -0.348 -21.140
  436    HA   VAL  60           HA       VAL  60  24.221  -1.493 -18.450
  437    HB   VAL  60           HB       VAL  60  26.132  -1.644 -19.917
  438   HG11  VAL  60          HG11      VAL  60  26.385   1.390 -19.778
  439   HG12  VAL  60          HG12      VAL  60  27.541   0.261 -20.506
  440   HG13  VAL  60          HG13      VAL  60  25.937   0.452 -21.220
  441   HG21  VAL  60          HG21      VAL  60  26.484  -1.544 -17.452
  442   HG22  VAL  60          HG22      VAL  60  27.867  -0.941 -18.389
  443   HG23  VAL  60          HG23      VAL  60  26.792   0.207 -17.587
  444    H    ILE  61           H        ILE  61  24.201  -0.557 -16.534
  445    HA   ILE  61           HA       ILE  61  23.871   2.422 -16.377
  446    HB   ILE  61           HB       ILE  61  22.374   1.943 -14.398
  447   HG12  ILE  61          HG12      ILE  61  21.719  -0.685 -15.738
  448   HG13  ILE  61          HG13      ILE  61  22.865  -0.587 -14.391
  449   HG21  ILE  61          HG21      ILE  61  21.281   1.269 -17.153
  450   HG22  ILE  61          HG22      ILE  61  20.380   1.977 -15.788
  451   HG23  ILE  61          HG23      ILE  61  21.656   2.907 -16.571
  452   HD11  ILE  61          HD11      ILE  61  19.997   0.432 -14.255
  453   HD12  ILE  61          HD12      ILE  61  20.567  -1.112 -13.633
  454   HD13  ILE  61          HD13      ILE  61  21.193   0.394 -12.940
  455    H    PHE  62           H        PHE  62  25.308  -0.463 -14.920
  456    HA   PHE  62           HA       PHE  62  27.119   1.309 -13.490
  457    HB2  PHE  62           HB2      PHE  62  25.464   1.190 -11.796
  458    HB3  PHE  62           HB3      PHE  62  25.209  -0.524 -12.008
  459    HD1  PHE  62           HD1      PHE  62  27.778   2.021 -10.998
  460    HD2  PHE  62           HD2      PHE  62  26.480  -2.077 -10.608
  461    HE1  PHE  62           HE1      PHE  62  29.580   1.596  -9.349
  462    HE2  PHE  62           HE2      PHE  62  28.317  -2.502  -8.982
  463    HZ   PHE  62           HZ       PHE  62  29.852  -0.659  -8.346
  464    H    GLN  63           H        GLN  63  29.058   0.381 -12.989
  465    HA   GLN  63           HA       GLN  63  29.499  -2.446 -13.259
  466    HB2  GLN  63           HB2      GLN  63  31.151  -2.370 -15.085
  467    HB3  GLN  63           HB3      GLN  63  29.531  -1.938 -15.618
  468    HG2  GLN  63           HG2      GLN  63  30.168   0.479 -15.562
  469    HG3  GLN  63           HG3      GLN  63  31.819   0.009 -15.142
  470   HE21  GLN  63          HE21      GLN  63  32.368  -1.485 -18.467
  471   HE22  GLN  63          HE22      GLN  63  32.611  -1.939 -16.792
  472    H    THR  64           H        THR  64  31.462  -3.160 -12.421
  473    HA   THR  64           HA       THR  64  33.438  -1.266 -11.348
  474    HB   THR  64           HB       THR  64  31.611  -1.150  -9.706
  475    HG1  THR  64           HG1      THR  64  32.965  -1.413  -7.970
  476   HG21  THR  64          HG21      THR  64  32.189  -4.086  -9.092
  477   HG22  THR  64          HG22      THR  64  31.038  -3.013  -8.265
  478   HG23  THR  64          HG23      THR  64  30.733  -3.506  -9.932
  479    H    PHE  65           H        PHE  65  35.190  -2.443 -10.144
  480    HA   PHE  65           HA       PHE  65  35.715  -5.056 -11.474
  481    HB2  PHE  65           HB2      PHE  65  37.269  -2.860 -11.507
  482    HB3  PHE  65           HB3      PHE  65  37.885  -3.596 -10.037
  483    HD1  PHE  65           HD1      PHE  65  38.108  -3.507 -13.588
  484    HD2  PHE  65           HD2      PHE  65  38.490  -6.186 -10.237
  485    HE1  PHE  65           HE1      PHE  65  39.378  -5.105 -15.003
  486    HE2  PHE  65           HE2      PHE  65  39.657  -7.816 -11.673
  487    HZ   PHE  65           HZ       PHE  65  40.104  -7.278 -14.079
  488    H    LEU  66           H        LEU  66  35.777  -6.897 -10.336
  489    HA   LEU  66           HA       LEU  66  35.749  -6.820  -7.360
  490    HB2  LEU  66           HB2      LEU  66  34.708  -8.776  -9.396
  491    HB3  LEU  66           HB3      LEU  66  35.156  -9.336  -7.793
  492    HG   LEU  66           HG       LEU  66  32.999  -7.299  -8.365
  493   HD11  LEU  66          HD11      LEU  66  32.894 -10.132  -7.211
  494   HD12  LEU  66          HD12      LEU  66  31.541  -9.094  -7.695
  495   HD13  LEU  66          HD13      LEU  66  32.625  -9.772  -8.913
  496   HD21  LEU  66          HD21      LEU  66  33.960  -6.792  -6.160
  497   HD22  LEU  66          HD22      LEU  66  32.443  -7.676  -5.927
  498   HD23  LEU  66          HD23      LEU  66  33.999  -8.515  -5.740
  499    H    PHE  67           H        PHE  67  37.172  -7.904  -6.168
  500    HA   PHE  67           HA       PHE  67  39.564  -9.105  -7.525
  501    HB2  PHE  67           HB2      PHE  67  39.503  -7.425  -4.995
  502    HB3  PHE  67           HB3      PHE  67  40.927  -8.128  -5.746
  503    HD1  PHE  67           HD1      PHE  67  38.301  -5.506  -6.058
  504    HD2  PHE  67           HD2      PHE  67  42.006  -7.048  -7.643
  505    HE1  PHE  67           HE1      PHE  67  38.598  -3.429  -7.378
  506    HE2  PHE  67           HE2      PHE  67  42.323  -4.938  -8.922
  507    HZ   PHE  67           HZ       PHE  67  40.610  -3.142  -8.815
  508    HA   PRO  68           HA       PRO  68  38.331 -12.578  -4.975
  509    HB2  PRO  68           HB2      PRO  68  40.201 -14.405  -5.706
  510    HB3  PRO  68           HB3      PRO  68  38.968 -13.794  -6.853
  511    HG2  PRO  68           HG2      PRO  68  41.814 -12.765  -6.486
  512    HG3  PRO  68           HG3      PRO  68  41.024 -13.287  -8.020
  513    HD2  PRO  68           HD2      PRO  68  41.128 -10.704  -7.301
  514    HD3  PRO  68           HD3      PRO  68  39.658 -11.396  -8.067
  515    H    LEU  69           H        LEU  69  41.641 -11.279  -4.750
  516    HA   LEU  69           HA       LEU  69  42.347 -12.728  -2.337
  517    HB2  LEU  69           HB2      LEU  69  43.937 -11.993  -4.103
  518    HB3  LEU  69           HB3      LEU  69  43.592 -10.309  -3.714
  519    HG   LEU  69           HG       LEU  69  44.598 -10.609  -1.465
  520   HD11  LEU  69          HD11      LEU  69  45.243 -13.428  -2.448
  521   HD12  LEU  69          HD12      LEU  69  45.927 -12.664  -0.996
  522   HD13  LEU  69          HD13      LEU  69  44.198 -13.007  -1.071
  523   HD21  LEU  69          HD21      LEU  69  45.974  -9.865  -3.367
  524   HD22  LEU  69          HD22      LEU  69  46.920 -10.825  -2.219
  525   HD23  LEU  69          HD23      LEU  69  46.376 -11.554  -3.746
  526    H    LYS  70           H        LYS  70  40.654  -9.790  -2.974
  527    HA   LYS  70           HA       LYS  70  41.049  -8.643  -0.256
  528    HB2  LYS  70           HB2      LYS  70  39.451  -7.605  -2.637
  529    HB3  LYS  70           HB3      LYS  70  39.719  -6.734  -1.136
  530    HG2  LYS  70           HG2      LYS  70  41.897  -7.525  -3.121
  531    HG3  LYS  70           HG3      LYS  70  41.164  -5.931  -2.945
  532    HD2  LYS  70           HD2      LYS  70  42.003  -5.830  -0.580
  533    HD3  LYS  70           HD3      LYS  70  42.851  -7.372  -0.848
  534    HE2  LYS  70           HE2      LYS  70  44.132  -6.357  -2.709
  535    HE3  LYS  70           HE3      LYS  70  43.270  -4.829  -2.485
  536    HZ1  LYS  70           HZ1      LYS  70  45.048  -6.087  -0.448
  537    HZ2  LYS  70           HZ2      LYS  70  45.430  -4.792  -1.364
  538    HZ3  LYS  70           HZ3      LYS  70  44.248  -4.674  -0.248
  539    H    ARG  71           H        ARG  71  39.348  -8.115   1.138
  540    HA   ARG  71           HA       ARG  71  37.081 -10.060   1.112
  541    HB2  ARG  71           HB2      ARG  71  38.213  -8.366   3.371
  542    HB3  ARG  71           HB3      ARG  71  36.888  -9.530   3.505
  543    HG2  ARG  71           HG2      ARG  71  38.450 -11.340   2.697
  544    HG3  ARG  71           HG3      ARG  71  39.769 -10.165   2.739
  545    HD2  ARG  71           HD2      ARG  71  39.891 -11.418   4.777
  546    HD3  ARG  71           HD3      ARG  71  39.333  -9.801   5.177
  547    HE   ARG  71           HE       ARG  71  37.279 -10.647   5.854
  548   HH11  ARG  71          HH11      ARG  71  38.970 -13.275   4.252
  549   HH12  ARG  71          HH12      ARG  71  37.800 -14.458   4.769
  550   HH21  ARG  71          HH21      ARG  71  35.827 -12.205   6.464
  551   HH22  ARG  71          HH22      ARG  71  36.070 -13.861   5.993
  552    H    ASP  72           H        ASP  72  37.430  -6.969   0.040
  553    HA   ASP  72           HA       ASP  72  35.041  -5.779   1.130
  554    HB2  ASP  72           HB2      ASP  72  36.677  -4.924  -1.267
  555    HB3  ASP  72           HB3      ASP  72  35.454  -3.964  -0.454
  556    H    PHE  73           H        PHE  73  35.238  -8.208  -1.200
  557    HA   PHE  73           HA       PHE  73  33.387  -7.714  -3.186
  558    HB2  PHE  73           HB2      PHE  73  34.497  -9.788  -3.109
  559    HB3  PHE  73           HB3      PHE  73  33.970 -10.154  -1.477
  560    HD1  PHE  73           HD1      PHE  73  31.554 -10.804  -1.016
  561    HD2  PHE  73           HD2      PHE  73  33.217 -10.559  -4.991
  562    HE1  PHE  73           HE1      PHE  73  29.629 -12.081  -1.902
  563    HE2  PHE  73           HE2      PHE  73  31.289 -11.866  -5.873
  564    HZ   PHE  73           HZ       PHE  73  29.475 -12.580  -4.310
  565    H    GLU  74           H        GLU  74  32.508  -8.537   0.205
  566    HA   GLU  74           HA       GLU  74  29.687  -8.660  -0.211
  567    HB2  GLU  74           HB2      GLU  74  31.142  -9.356   1.821
  568    HB3  GLU  74           HB3      GLU  74  31.023  -7.665   2.327
  569    HG2  GLU  74           HG2      GLU  74  28.522  -7.872   2.287
  570    HG3  GLU  74           HG3      GLU  74  28.696  -9.563   1.803
  571    H    LYS  75           H        LYS  75  31.817  -5.953   0.539
  572    HA   LYS  75           HA       LYS  75  29.702  -3.976   0.905
  573    HB2  LYS  75           HB2      LYS  75  32.729  -3.628   0.506
  574    HB3  LYS  75           HB3      LYS  75  31.573  -2.349   0.885
  575    HG2  LYS  75           HG2      LYS  75  32.187  -2.781   3.016
  576    HG3  LYS  75           HG3      LYS  75  30.906  -3.986   2.889
  577    HD2  LYS  75           HD2      LYS  75  32.876  -5.580   2.094
  578    HD3  LYS  75           HD3      LYS  75  33.921  -4.367   2.829
  579    HE2  LYS  75           HE2      LYS  75  31.598  -5.804   4.198
  580    HE3  LYS  75           HE3      LYS  75  33.280  -6.328   4.294
  581    HZ1  LYS  75           HZ1      LYS  75  32.255  -3.720   5.328
  582    HZ2  LYS  75           HZ2      LYS  75  32.701  -4.996   6.236
  583    HZ3  LYS  75           HZ3      LYS  75  33.825  -4.189   5.374
  584    H    THR  76           H        THR  76  31.940  -4.800  -1.775
  585    HA   THR  76           HA       THR  76  30.904  -3.000  -3.706
  586    HB   THR  76           HB       THR  76  32.032  -5.794  -4.138
  587    HG1  THR  76           HG1      THR  76  33.974  -4.599  -4.388
  588   HG21  THR  76          HG21      THR  76  31.752  -3.408  -6.021
  589   HG22  THR  76          HG22      THR  76  32.758  -4.843  -6.352
  590   HG23  THR  76          HG23      THR  76  30.997  -5.000  -6.219
  591    H    VAL  77           H        VAL  77  29.705  -6.291  -2.854
  592    HA   VAL  77           HA       VAL  77  27.570  -6.366  -4.787
  593    HB   VAL  77           HB       VAL  77  27.970  -7.764  -2.124
  594   HG11  VAL  77          HG11      VAL  77  25.677  -8.126  -4.102
  595   HG12  VAL  77          HG12      VAL  77  26.065  -9.237  -2.769
  596   HG13  VAL  77          HG13      VAL  77  25.527  -7.609  -2.404
  597   HG21  VAL  77          HG21      VAL  77  29.374  -8.425  -4.139
  598   HG22  VAL  77          HG22      VAL  77  28.374  -9.713  -3.468
  599   HG23  VAL  77          HG23      VAL  77  27.859  -8.883  -4.951
  600    H    VAL  78           H        VAL  78  27.494  -5.353  -1.308
  601    HA   VAL  78           HA       VAL  78  24.734  -4.591  -1.361
  602    HB   VAL  78           HB       VAL  78  27.025  -3.732   0.441
  603   HG11  VAL  78          HG11      VAL  78  24.036  -3.203   0.786
  604   HG12  VAL  78          HG12      VAL  78  25.262  -3.008   2.057
  605   HG13  VAL  78          HG13      VAL  78  25.318  -1.978   0.628
  606   HG21  VAL  78          HG21      VAL  78  26.332  -6.146   0.514
  607   HG22  VAL  78          HG22      VAL  78  25.997  -5.293   2.022
  608   HG23  VAL  78          HG23      VAL  78  24.675  -5.635   0.883
  609    H    ALA  79           H        ALA  79  27.676  -2.726  -2.104
  610    HA   ALA  79           HA       ALA  79  26.327  -0.191  -2.376
  611    HB1  ALA  79           HB1      ALA  79  28.981  -1.223  -3.462
  612    HB2  ALA  79           HB2      ALA  79  28.501   0.492  -3.313
  613    HB3  ALA  79           HB3      ALA  79  28.723  -0.502  -1.858
  614    H    ALA  80           H        ALA  80  26.980  -2.864  -4.700
  615    HA   ALA  80           HA       ALA  80  26.235  -1.397  -7.055
  616    HB1  ALA  80           HB1      ALA  80  26.031  -4.389  -6.464
  617    HB2  ALA  80           HB2      ALA  80  26.052  -3.617  -8.064
  618    HB3  ALA  80           HB3      ALA  80  27.495  -3.555  -7.026
  619    H    LEU  81           H        LEU  81  24.287  -2.881  -4.510
  620    HA   LEU  81           HA       LEU  81  21.798  -3.097  -5.957
  621    HB2  LEU  81           HB2      LEU  81  22.086  -2.443  -2.999
  622    HB3  LEU  81           HB3      LEU  81  20.730  -3.212  -3.795
  623    HG   LEU  81           HG       LEU  81  23.476  -4.453  -3.472
  624   HD11  LEU  81          HD11      LEU  81  20.940  -4.955  -1.896
  625   HD12  LEU  81          HD12      LEU  81  22.497  -5.808  -1.722
  626   HD13  LEU  81          HD13      LEU  81  22.375  -4.088  -1.310
  627   HD21  LEU  81          HD21      LEU  81  22.191  -5.422  -5.364
  628   HD22  LEU  81          HD22      LEU  81  22.398  -6.576  -4.034
  629   HD23  LEU  81          HD23      LEU  81  20.846  -5.756  -4.246
  630    H    ILE  82           H        ILE  82  23.128  -0.533  -3.870
  631    HA   ILE  82           HA       ILE  82  21.019   1.384  -4.318
  632    HB   ILE  82           HB       ILE  82  23.883   1.801  -3.356
  633   HG12  ILE  82          HG12      ILE  82  21.309   1.452  -1.742
  634   HG13  ILE  82          HG13      ILE  82  22.526   0.198  -1.958
  635   HG21  ILE  82          HG21      ILE  82  21.429   3.613  -3.112
  636   HG22  ILE  82          HG22      ILE  82  23.023   3.927  -2.394
  637   HG23  ILE  82          HG23      ILE  82  22.849   3.921  -4.135
  638   HD11  ILE  82          HD11      ILE  82  22.910   2.805  -0.456
  639   HD12  ILE  82          HD12      ILE  82  22.881   1.158   0.185
  640   HD13  ILE  82          HD13      ILE  82  24.225   1.668  -0.854
  641    H    GLN  83           H        GLN  83  24.292   1.006  -5.779
  642    HA   GLN  83           HA       GLN  83  24.041   3.311  -7.458
  643    HB2  GLN  83           HB2      GLN  83  25.827   0.847  -7.623
  644    HB3  GLN  83           HB3      GLN  83  26.001   2.249  -8.687
  645    HG2  GLN  83           HG2      GLN  83  26.420   3.733  -6.841
  646    HG3  GLN  83           HG3      GLN  83  26.082   2.492  -5.644
  647   HE21  GLN  83          HE21      GLN  83  29.217   0.782  -6.110
  648   HE22  GLN  83          HE22      GLN  83  27.502   0.489  -5.763
  649    H    THR  84           H        THR  84  22.896   0.012  -7.943
  650    HA   THR  84           HA       THR  84  22.276   0.226 -10.754
  651    HB   THR  84           HB       THR  84  21.007  -1.428  -8.542
  652    HG1  THR  84           HG1      THR  84  23.093  -2.036  -8.922
  653   HG21  THR  84          HG21      THR  84  20.786  -1.765 -11.542
  654   HG22  THR  84          HG22      THR  84  20.187  -2.871 -10.294
  655   HG23  THR  84          HG23      THR  84  19.452  -1.269 -10.482
  656    H    GLU  85           H        GLU  85  20.309   1.024  -7.770
  657    HA   GLU  85           HA       GLU  85  18.141   1.949  -9.516
  658    HB2  GLU  85           HB2      GLU  85  16.961   2.595  -7.594
  659    HB3  GLU  85           HB3      GLU  85  17.598   0.977  -7.339
  660    HG2  GLU  85           HG2      GLU  85  19.184   1.726  -5.745
  661    HG3  GLU  85           HG3      GLU  85  19.029   3.418  -6.223
  662    H    GLU  86           H        GLU  86  20.882   3.550  -7.874
  663    HA   GLU  86           HA       GLU  86  19.994   6.210  -8.156
  664    HB2  GLU  86           HB2      GLU  86  22.751   4.982  -8.128
  665    HB3  GLU  86           HB3      GLU  86  22.518   6.727  -8.233
  666    HG2  GLU  86           HG2      GLU  86  21.090   5.171  -6.077
  667    HG3  GLU  86           HG3      GLU  86  22.796   5.579  -5.886
  668    H    ALA  87           H        ALA  87  21.358   4.127 -10.674
  669    HA   ALA  87           HA       ALA  87  21.664   6.153 -12.702
  670    HB1  ALA  87           HB1      ALA  87  20.960   3.182 -12.942
  671    HB2  ALA  87           HB2      ALA  87  21.581   4.224 -14.234
  672    HB3  ALA  87           HB3      ALA  87  22.608   3.852 -12.833
  673    H    LEU  88           H        LEU  88  18.895   4.196 -11.608
  674    HA   LEU  88           HA       LEU  88  17.154   5.082 -13.807
  675    HB2  LEU  88           HB2      LEU  88  16.573   3.296 -11.427
  676    HB3  LEU  88           HB3      LEU  88  15.598   3.439 -12.887
  677    HG   LEU  88           HG       LEU  88  18.385   2.210 -12.648
  678   HD11  LEU  88          HD11      LEU  88  15.688   0.996 -13.301
  679   HD12  LEU  88          HD12      LEU  88  17.241   0.139 -13.140
  680   HD13  LEU  88          HD13      LEU  88  16.511   0.907 -11.723
  681   HD21  LEU  88          HD21      LEU  88  18.266   3.198 -14.831
  682   HD22  LEU  88          HD22      LEU  88  17.972   1.468 -15.016
  683   HD23  LEU  88          HD23      LEU  88  16.598   2.588 -15.078
  684    H    ASN  89           H        ASN  89  17.750   5.916 -10.519
  685    HA   ASN  89           HA       ASN  89  15.348   7.128  -9.734
  686    HB2  ASN  89           HB2      ASN  89  18.200   7.154  -8.899
  687    HB3  ASN  89           HB3      ASN  89  17.318   8.548  -8.383
  688   HD21  ASN  89          HD21      ASN  89  16.728   5.129  -6.438
  689   HD22  ASN  89          HD22      ASN  89  17.755   5.243  -7.875
  690    H    ARG  90           H        ARG  90  17.799   8.473 -11.873
  691    HA   ARG  90           HA       ARG  90  16.181  10.988 -12.118
  692    HB2  ARG  90           HB2      ARG  90  18.705  10.909 -11.562
  693    HB3  ARG  90           HB3      ARG  90  18.943  10.569 -13.281
  694    HG2  ARG  90           HG2      ARG  90  17.795  12.716 -13.839
  695    HG3  ARG  90           HG3      ARG  90  17.441  12.974 -12.121
  696    HD2  ARG  90           HD2      ARG  90  19.888  12.993 -11.650
  697    HD3  ARG  90           HD3      ARG  90  20.220  12.848 -13.374
  698    HE   ARG  90           HE       ARG  90  19.275  15.207 -11.888
  699   HH11  ARG  90          HH11      ARG  90  19.636  13.923 -15.138
  700   HH12  ARG  90          HH12      ARG  90  19.545  15.505 -15.862
  701   HH21  ARG  90          HH21      ARG  90  19.164  17.178 -12.879
  702   HH22  ARG  90          HH22      ARG  90  19.286  17.299 -14.609
  703    H    ARG  91           H        ARG  91  16.169   8.072 -13.564
  704    HA   ARG  91           HA       ARG  91  15.641   9.024 -16.366
  705    HB2  ARG  91           HB2      ARG  91  15.758   6.229 -15.163
  706    HB3  ARG  91           HB3      ARG  91  15.343   6.576 -16.842
  707    HG2  ARG  91           HG2      ARG  91  17.542   7.472 -17.293
  708    HG3  ARG  91           HG3      ARG  91  17.996   7.371 -15.599
  709    HD2  ARG  91           HD2      ARG  91  18.730   5.248 -15.918
  710    HD3  ARG  91           HD3      ARG  91  17.107   4.740 -16.261
  711    HE   ARG  91           HE       ARG  91  19.240   5.519 -18.207
  712   HH11  ARG  91          HH11      ARG  91  15.966   4.227 -17.931
  713   HH12  ARG  91          HH12      ARG  91  15.945   3.751 -19.601
  714   HH21  ARG  91          HH21      ARG  91  19.111   4.879 -20.302
  715   HH22  ARG  91          HH22      ARG  91  17.677   4.102 -20.900
  716    H    GLN  92           H        GLN  92  14.042   7.077 -13.866
  717    HA   GLN  92           HA       GLN  92  11.351   7.911 -14.902
  718    HB2  GLN  92           HB2      GLN  92  10.654   5.534 -14.834
  719    HB3  GLN  92           HB3      GLN  92  11.790   5.942 -16.117
  720    HG2  GLN  92           HG2      GLN  92  13.611   4.813 -15.015
  721    HG3  GLN  92           HG3      GLN  92  12.691   4.612 -13.523
  722   HE21  GLN  92          HE21      GLN  92  10.704   1.887 -14.826
  723   HE22  GLN  92          HE22      GLN  92  10.672   3.191 -13.648
  724    H    ILE  93           H        ILE  93  13.105   6.417 -12.168
  725    HA   ILE  93           HA       ILE  93  10.718   6.184 -10.553
  726    HB   ILE  93           HB       ILE  93  13.473   6.355  -9.338
  727   HG12  ILE  93          HG12      ILE  93  12.290   3.926 -10.758
  728   HG13  ILE  93          HG13      ILE  93  13.737   4.809 -11.248
  729   HG21  ILE  93          HG21      ILE  93  11.012   4.696  -8.663
  730   HG22  ILE  93          HG22      ILE  93  12.506   4.802  -7.702
  731   HG23  ILE  93          HG23      ILE  93  11.479   6.207  -7.847
  732   HD11  ILE  93          HD11      ILE  93  13.470   3.079  -8.775
  733   HD12  ILE  93          HD12      ILE  93  14.459   2.802 -10.208
  734   HD13  ILE  93          HD13      ILE  93  14.862   4.144  -9.118
  735    H    ASN  94           H        ASN  94  12.676   8.898 -11.336
  736    HA   ASN  94           HA       ASN  94  12.343  10.590  -9.151
  737    HB2  ASN  94           HB2      ASN  94  13.473  10.818 -11.649
  738    HB3  ASN  94           HB3      ASN  94  12.052  11.812 -11.891
  739   HD21  ASN  94          HD21      ASN  94  15.057  12.996  -9.351
  740   HD22  ASN  94          HD22      ASN  94  14.935  11.319  -9.902
  741    H    GLN  95           H        GLN  95   9.975   9.965 -11.772
  742    HA   GLN  95           HA       GLN  95   8.006  11.856 -10.777
  743    HB2  GLN  95           HB2      GLN  95   7.723   9.483 -12.668
  744    HB3  GLN  95           HB3      GLN  95   6.478  10.697 -12.350
  745    HG2  GLN  95           HG2      GLN  95   8.030  12.479 -13.189
  746    HG3  GLN  95           HG3      GLN  95   9.204  11.234 -13.609
  747   HE21  GLN  95          HE21      GLN  95   7.350  10.088 -16.470
  748   HE22  GLN  95          HE22      GLN  95   8.546   9.617 -15.269
  749    H    ALA  96           H        ALA  96   8.624   8.391 -10.228
  750    HA   ALA  96           HA       ALA  96   6.182   7.870  -8.789
  751    HB1  ALA  96           HB1      ALA  96   8.842   6.379  -8.757
  752    HB2  ALA  96           HB2      ALA  96   7.276   5.762  -8.202
  753    HB3  ALA  96           HB3      ALA  96   7.517   6.125  -9.921
  754    H    LEU  97           H        LEU  97   9.507   8.737  -7.681
  755    HA   LEU  97           HA       LEU  97   8.724   8.703  -4.886
  756    HB2  LEU  97           HB2      LEU  97  10.918   9.398  -4.380
  757    HB3  LEU  97           HB3      LEU  97  10.957   8.182  -5.646
  758    HG   LEU  97           HG       LEU  97  11.134  10.294  -7.241
  759   HD11  LEU  97          HD11      LEU  97  12.391  11.347  -4.668
  760   HD12  LEU  97          HD12      LEU  97  12.514  12.092  -6.275
  761   HD13  LEU  97          HD13      LEU  97  10.959  12.036  -5.449
  762   HD21  LEU  97          HD21      LEU  97  12.823   8.530  -7.054
  763   HD22  LEU  97          HD22      LEU  97  13.603  10.117  -7.115
  764   HD23  LEU  97          HD23      LEU  97  13.452   9.263  -5.564
  765    H    LEU  98           H        LEU  98   8.880  11.265  -7.300
  766    HA   LEU  98           HA       LEU  98   8.107  13.399  -5.502
  767    HB2  LEU  98           HB2      LEU  98   9.197  13.757  -7.689
  768    HB3  LEU  98           HB3      LEU  98   7.778  13.105  -8.514
  769    HG   LEU  98           HG       LEU  98   6.415  15.007  -7.753
  770   HD11  LEU  98          HD11      LEU  98   8.987  16.007  -6.444
  771   HD12  LEU  98          HD12      LEU  98   7.512  16.970  -6.676
  772   HD13  LEU  98          HD13      LEU  98   7.479  15.568  -5.607
  773   HD21  LEU  98          HD21      LEU  98   7.716  15.169  -9.858
  774   HD22  LEU  98          HD22      LEU  98   7.508  16.746  -9.085
  775   HD23  LEU  98          HD23      LEU  98   9.068  15.897  -8.966
  776    H    SER  99           H        SER  99   6.293  10.936  -7.263
  777    HA   SER  99           HA       SER  99   4.147  10.309  -7.329
  778    HB2  SER  99           HB2      SER  99   4.771  10.176  -4.816
  779    HB3  SER  99           HB3      SER  99   3.689  11.564  -4.628
  780    HG   SER  99           HG       SER  99   2.438   9.802  -4.368
  781    H    THR 100           H        THR 100   4.530  12.455  -8.838
  782    HA   THR 100           HA       THR 100   3.599  14.891  -8.114
  783    HB   THR 100           HB       THR 100   3.410  14.039 -11.007
  784    HG1  THR 100           HG1      THR 100   5.638  14.054 -11.114
  785   HG21  THR 100          HG21      THR 100   4.673  16.451  -9.618
  786   HG22  THR 100          HG22      THR 100   4.608  16.175 -11.372
  787   HG23  THR 100          HG23      THR 100   3.112  16.450 -10.471
  788    H    GLY 101           H        GLY 101   1.565  12.394  -9.596
  789    HA2  GLY 101           HA2      GLY 101  -0.837  14.190  -9.433
  790    HA3  GLY 101           HA3      GLY 101  -0.630  12.898 -10.615
  791    H    ASP 102           H        ASP 102   0.408  12.267  -7.342
  792    HA   ASP 102           HA       ASP 102  -1.918  10.451  -6.837
  793    HB2  ASP 102           HB2      ASP 102   1.027   9.786  -7.147
  794    HB3  ASP 102           HB3      ASP 102  -0.091   8.710  -6.318
  795    H    LEU 103           H        LEU 103  -1.249   9.156  -4.649
  796    HA   LEU 103           HA       LEU 103  -1.512  10.993  -2.501
  797    HB2  LEU 103           HB2      LEU 103  -2.353   8.791  -2.322
  798    HB3  LEU 103           HB3      LEU 103  -0.786   8.052  -2.635
  799    HG   LEU 103           HG       LEU 103  -0.904   9.822  -0.223
  800   HD11  LEU 103          HD11      LEU 103  -2.274   7.101  -0.291
  801   HD12  LEU 103          HD12      LEU 103  -1.952   8.074   1.163
  802   HD13  LEU 103          HD13      LEU 103  -3.077   8.671  -0.062
  803   HD21  LEU 103          HD21      LEU 103   1.140   8.513  -0.766
  804   HD22  LEU 103          HD22      LEU 103   0.436   8.034   0.781
  805   HD23  LEU 103          HD23      LEU 103   0.200   7.015  -0.654
  806    H    ALA 104           H        ALA 104  -0.179  11.965  -1.193
  807    HA   ALA 104           HA       ALA 104   2.424  11.024  -0.516
  808    HB1  ALA 104           HB1      ALA 104   2.283  13.628  -2.124
  809    HB2  ALA 104           HB2      ALA 104   3.706  13.069  -1.216
  810    HB3  ALA 104           HB3      ALA 104   3.113  12.136  -2.597
  811    H    HIS 105           H        HIS 105   1.949  11.135   1.613
  812    HA   HIS 105           HA       HIS 105   1.220  13.781   2.828
  813    HB2  HIS 105           HB2      HIS 105   0.023  11.052   3.438
  814    HB3  HIS 105           HB3      HIS 105  -0.218  12.500   4.407
  815    HD2  HIS 105           HD2      HIS 105  -1.695  14.517   3.329
  816    HE1  HIS 105           HE1      HIS 105  -3.380  12.214   0.155
  817    HE2  HIS 105           HE2      HIS 105  -3.540  14.403   1.447
  818    H    ASP 106           H        ASP 106   2.343  10.484   3.793
  819    HA   ASP 106           HA       ASP 106   4.497  11.701   5.421
  820    HB2  ASP 106           HB2      ASP 106   2.396  11.570   6.802
  821    HB3  ASP 106           HB3      ASP 106   2.395   9.825   6.572
  822    H    GLU 107           H        GLU 107   4.776  10.309   3.005
  823    HA   GLU 107           HA       GLU 107   5.102   7.465   3.344
  824    HB2  GLU 107           HB2      GLU 107   6.186   9.352   1.218
  825    HB3  GLU 107           HB3      GLU 107   6.244   7.590   1.145
  826    HG2  GLU 107           HG2      GLU 107   3.731   7.547   1.296
  827    HG3  GLU 107           HG3      GLU 107   3.733   9.308   1.156
  828    H    PHE 108           H        PHE 108   7.428  10.155   3.500
  829    HA   PHE 108           HA       PHE 108   9.434   8.533   4.871
  830    HB2  PHE 108           HB2      PHE 108  11.210   9.130   3.279
  831    HB3  PHE 108           HB3      PHE 108   9.994   8.074   2.590
  832    HD1  PHE 108           HD1      PHE 108  11.355  11.535   2.545
  833    HD2  PHE 108           HD2      PHE 108   8.651   8.733   0.695
  834    HE1  PHE 108           HE1      PHE 108  11.119  13.051   0.588
  835    HE2  PHE 108           HE2      PHE 108   8.411  10.253  -1.259
  836    HZ   PHE 108           HZ       PHE 108   9.646  12.411  -1.316
  Start of MODEL    3
    1    H1   ALA   1           H1       ALA   1   0.673   1.351  -0.222
    2    H2   ALA   1           H2       ALA   1  -0.788   0.687   0.101
    3    H3   ALA   1           H3       ALA   1  -0.692   2.049  -0.801
    4    HA   ALA   1           HA       ALA   1  -1.151   0.157  -2.208
    5    HB1  ALA   1           HB1      ALA   1   1.657   1.292  -2.639
    6    HB2  ALA   1           HB2      ALA   1   0.645   0.502  -3.865
    7    HB3  ALA   1           HB3      ALA   1   0.135   2.046  -3.170
    8    H    VAL   2           H        VAL   2  -0.293  -1.802  -3.261
    9    HA   VAL   2           HA       VAL   2   1.626  -3.409  -1.622
   10    HB   VAL   2           HB       VAL   2  -1.020  -4.429  -2.729
   11   HG11  VAL   2          HG11      VAL   2   1.157  -5.848  -1.125
   12   HG12  VAL   2          HG12      VAL   2  -0.437  -6.523  -1.522
   13   HG13  VAL   2          HG13      VAL   2   0.709  -6.181  -2.815
   14   HG21  VAL   2          HG21      VAL   2  -1.420  -3.128  -0.689
   15   HG22  VAL   2          HG22      VAL   2  -1.600  -4.846  -0.345
   16   HG23  VAL   2          HG23      VAL   2  -0.118  -4.000   0.153
   17    H    GLU   3           H        GLU   3   3.103  -4.501  -2.791
   18    HA   GLU   3           HA       GLU   3   2.766  -4.849  -5.732
   19    HB2  GLU   3           HB2      GLU   3   5.207  -3.801  -4.247
   20    HB3  GLU   3           HB3      GLU   3   5.232  -4.344  -5.914
   21    HG2  GLU   3           HG2      GLU   3   3.634  -1.997  -4.814
   22    HG3  GLU   3           HG3      GLU   3   5.118  -1.902  -5.751
   23    H    VAL   4           H        VAL   4   4.063  -6.546  -6.654
   24    HA   VAL   4           HA       VAL   4   4.952  -8.685  -4.771
   25    HB   VAL   4           HB       VAL   4   3.121  -9.138  -7.162
   26   HG11  VAL   4          HG11      VAL   4   4.134 -11.058  -5.012
   27   HG12  VAL   4          HG12      VAL   4   2.907 -11.442  -6.235
   28   HG13  VAL   4          HG13      VAL   4   4.551 -11.099  -6.745
   29   HG21  VAL   4          HG21      VAL   4   1.801  -8.114  -5.368
   30   HG22  VAL   4          HG22      VAL   4   1.409  -9.826  -5.487
   31   HG23  VAL   4          HG23      VAL   4   2.476  -9.257  -4.184
   32    H    GLU   5           H        GLU   5   6.530 -10.089  -5.633
   33    HA   GLU   5           HA       GLU   5   8.326  -8.923  -7.598
   34    HB2  GLU   5           HB2      GLU   5   8.442 -11.531  -6.042
   35    HB3  GLU   5           HB3      GLU   5   9.749 -10.875  -7.039
   36    HG2  GLU   5           HG2      GLU   5   9.873  -8.869  -5.616
   37    HG3  GLU   5           HG3      GLU   5   8.570  -9.487  -4.598
   38    H    VAL   6           H        VAL   6   6.189  -9.180  -9.054
   39    HA   VAL   6           HA       VAL   6   5.902 -11.691 -10.476
   40    HB   VAL   6           HB       VAL   6   4.727  -8.935 -10.855
   41   HG11  VAL   6          HG11      VAL   6   4.222 -11.409 -12.576
   42   HG12  VAL   6          HG12      VAL   6   3.218  -9.942 -12.565
   43   HG13  VAL   6          HG13      VAL   6   4.884  -9.854 -13.136
   44   HG21  VAL   6          HG21      VAL   6   3.900 -10.343  -8.994
   45   HG22  VAL   6          HG22      VAL   6   2.662 -10.081 -10.227
   46   HG23  VAL   6          HG23      VAL   6   3.515 -11.638 -10.143
   47    HA   PRO   7           HA       PRO   7   8.445  -9.847 -13.999
   48    HB2  PRO   7           HB2      PRO   7   9.568  -7.408 -14.034
   49    HB3  PRO   7           HB3      PRO   7   7.820  -7.608 -14.316
   50    HG2  PRO   7           HG2      PRO   7   9.189  -6.940 -11.688
   51    HG3  PRO   7           HG3      PRO   7   7.836  -6.053 -12.470
   52    HD2  PRO   7           HD2      PRO   7   7.408  -7.925 -10.540
   53    HD3  PRO   7           HD3      PRO   7   6.293  -7.748 -11.932
   54    H    GLY   8           H        GLY   8  10.732  -9.574 -14.532
   55    HA2  GLY   8           HA2      GLY   8  12.968  -8.990 -13.250
   56    HA3  GLY   8           HA3      GLY   8  12.590 -10.463 -12.364
   57    H    LEU   9           H        LEU   9  14.838  -9.722 -14.251
   58    HA   LEU   9           HA       LEU   9  14.878 -12.303 -15.633
   59    HB2  LEU   9           HB2      LEU   9  15.518 -11.415 -17.829
   60    HB3  LEU   9           HB3      LEU   9  13.879 -11.082 -17.330
   61    HG   LEU   9           HG       LEU   9  14.563  -8.721 -16.776
   62   HD11  LEU   9          HD11      LEU   9  17.072  -9.471 -18.332
   63   HD12  LEU   9          HD12      LEU   9  16.559  -7.811 -17.954
   64   HD13  LEU   9          HD13      LEU   9  16.998  -8.919 -16.650
   65   HD21  LEU   9          HD21      LEU   9  13.366  -9.324 -18.834
   66   HD22  LEU   9          HD22      LEU   9  14.508  -8.005 -19.130
   67   HD23  LEU   9          HD23      LEU   9  14.911  -9.657 -19.645
   68    H    LEU  10           H        LEU  10  16.258 -11.495 -13.335
   69    HA   LEU  10           HA       LEU  10  19.044 -10.952 -13.877
   70    HB2  LEU  10           HB2      LEU  10  17.587 -12.298 -11.582
   71    HB3  LEU  10           HB3      LEU  10  19.324 -12.279 -11.655
   72    HG   LEU  10           HG       LEU  10  17.886  -9.647 -11.924
   73   HD11  LEU  10          HD11      LEU  10  18.380 -11.088  -9.284
   74   HD12  LEU  10          HD12      LEU  10  17.898  -9.385  -9.458
   75   HD13  LEU  10          HD13      LEU  10  16.797 -10.670  -9.977
   76   HD21  LEU  10          HD21      LEU  10  20.383  -9.798 -12.127
   77   HD22  LEU  10          HD22      LEU  10  19.867  -8.795 -10.757
   78   HD23  LEU  10          HD23      LEU  10  20.444 -10.445 -10.461
   79    H    THR  11           H        THR  11  20.331 -12.146 -15.048
   80    HA   THR  11           HA       THR  11  20.150 -15.112 -14.879
   81    HB   THR  11           HB       THR  11  20.841 -13.403 -17.284
   82    HG1  THR  11           HG1      THR  11  19.039 -14.430 -18.138
   83   HG21  THR  11          HG21      THR  11  21.084 -16.415 -16.882
   84   HG22  THR  11          HG22      THR  11  21.032 -15.632 -18.474
   85   HG23  THR  11          HG23      THR  11  22.359 -15.268 -17.371
   86    H    ASP  12           H        ASP  12  21.954 -16.236 -14.539
   87    HA   ASP  12           HA       ASP  12  24.360 -14.935 -13.590
   88    HB2  ASP  12           HB2      ASP  12  25.081 -17.158 -13.040
   89    HB3  ASP  12           HB3      ASP  12  23.445 -16.898 -12.479
   90    H    HIS  13           H        HIS  13  24.412 -13.829 -15.837
   91    HA   HIS  13           HA       HIS  13  25.916 -15.323 -17.904
   92    HB2  HIS  13           HB2      HIS  13  24.945 -12.463 -17.661
   93    HB3  HIS  13           HB3      HIS  13  26.063 -12.963 -18.926
   94    HD2  HIS  13           HD2      HIS  13  24.835 -15.590 -20.019
   95    HE1  HIS  13           HE1      HIS  13  21.257 -13.351 -20.627
   96    HE2  HIS  13           HE2      HIS  13  22.537 -15.450 -21.297
   97    H    THR  14           H        THR  14  27.106 -15.673 -15.541
   98    HA   THR  14           HA       THR  14  29.539 -14.024 -15.637
   99    HB   THR  14           HB       THR  14  29.586 -13.978 -13.160
  100    HG1  THR  14           HG1      THR  14  27.564 -14.386 -12.119
  101   HG21  THR  14          HG21      THR  14  26.983 -12.763 -14.153
  102   HG22  THR  14          HG22      THR  14  27.979 -12.241 -12.781
  103   HG23  THR  14          HG23      THR  14  28.583 -12.043 -14.433
  104    H    VAL  15           H        VAL  15  31.472 -15.103 -15.466
  105    HA   VAL  15           HA       VAL  15  31.403 -18.025 -14.841
  106    HB   VAL  15           HB       VAL  15  32.752 -18.490 -16.826
  107   HG11  VAL  15          HG11      VAL  15  30.131 -17.125 -17.510
  108   HG12  VAL  15          HG12      VAL  15  30.945 -18.420 -18.412
  109   HG13  VAL  15          HG13      VAL  15  30.292 -18.743 -16.794
  110   HG21  VAL  15          HG21      VAL  15  33.741 -16.260 -17.295
  111   HG22  VAL  15          HG22      VAL  15  32.890 -16.920 -18.697
  112   HG23  VAL  15          HG23      VAL  15  32.134 -15.640 -17.727
  113    H    SER  16           H        SER  16  32.290 -16.103 -13.090
  114    HA   SER  16           HA       SER  16  35.245 -16.643 -12.887
  115    HB2  SER  16           HB2      SER  16  35.218 -14.383 -13.392
  116    HB3  SER  16           HB3      SER  16  33.674 -14.109 -12.574
  117    HG   SER  16           HG       SER  16  36.240 -14.116 -11.516
  118    H    SER  17           H        SER  17  36.115 -16.927 -10.758
  119    HA   SER  17           HA       SER  17  34.500 -18.388  -8.914
  120    HB2  SER  17           HB2      SER  17  36.463 -18.158  -7.404
  121    HB3  SER  17           HB3      SER  17  36.891 -18.702  -9.037
  122    HG   SER  17           HG       SER  17  38.301 -17.034  -8.308
  123    H    ILE  18           H        ILE  18  35.371 -14.952  -9.009
  124    HA   ILE  18           HA       ILE  18  33.646 -14.363  -6.645
  125    HB   ILE  18           HB       ILE  18  34.419 -11.927  -7.339
  126   HG12  ILE  18          HG12      ILE  18  36.845 -13.531  -8.249
  127   HG13  ILE  18          HG13      ILE  18  35.642 -12.839  -9.348
  128   HG21  ILE  18          HG21      ILE  18  36.208 -13.873  -5.832
  129   HG22  ILE  18          HG22      ILE  18  36.177 -12.100  -5.651
  130   HG23  ILE  18          HG23      ILE  18  34.778 -13.050  -5.167
  131   HD11  ILE  18          HD11      ILE  18  37.159 -11.094  -7.441
  132   HD12  ILE  18          HD12      ILE  18  37.744 -11.540  -9.066
  133   HD13  ILE  18          HD13      ILE  18  36.233 -10.671  -8.904
  134    H    GLY  19           H        GLY  19  33.731 -13.703 -10.202
  135    HA2  GLY  19           HA2      GLY  19  31.434 -11.973 -10.090
  136    HA3  GLY  19           HA3      GLY  19  32.060 -12.765 -11.536
  137    H    HIS  20           H        HIS  20  31.607 -15.524 -10.324
  138    HA   HIS  20           HA       HIS  20  28.777 -15.827 -10.948
  139    HB2  HIS  20           HB2      HIS  20  30.596 -17.495 -11.463
  140    HB3  HIS  20           HB3      HIS  20  30.639 -17.889  -9.743
  141    HD2  HIS  20           HD2      HIS  20  27.086 -17.300 -10.722
  142    HE1  HIS  20           HE1      HIS  20  27.679 -21.431 -11.584
  143    HE2  HIS  20           HE2      HIS  20  25.941 -19.580 -11.376
  144    H    ASP  21           H        ASP  21  30.701 -15.563  -7.977
  145    HA   ASP  21           HA       ASP  21  28.484 -16.205  -6.189
  146    HB2  ASP  21           HB2      ASP  21  31.255 -15.027  -5.800
  147    HB3  ASP  21           HB3      ASP  21  30.060 -15.062  -4.513
  148    H    PHE  22           H        PHE  22  29.853 -13.165  -7.585
  149    HA   PHE  22           HA       PHE  22  28.254 -11.310  -6.159
  150    HB2  PHE  22           HB2      PHE  22  30.048 -10.727  -7.804
  151    HB3  PHE  22           HB3      PHE  22  29.006 -11.218  -9.112
  152    HD1  PHE  22           HD1      PHE  22  26.895  -9.977  -9.596
  153    HD2  PHE  22           HD2      PHE  22  29.707  -8.521  -6.687
  154    HE1  PHE  22           HE1      PHE  22  25.852  -7.728  -9.726
  155    HE2  PHE  22           HE2      PHE  22  28.720  -6.253  -6.875
  156    HZ   PHE  22           HZ       PHE  22  26.791  -5.860  -8.400
  157    H    TYR  23           H        TYR  23  27.359 -13.227  -9.056
  158    HA   TYR  23           HA       TYR  23  24.773 -12.161  -9.462
  159    HB2  TYR  23           HB2      TYR  23  25.753 -13.750 -11.024
  160    HB3  TYR  23           HB3      TYR  23  25.755 -15.020  -9.792
  161    HD1  TYR  23           HD1      TYR  23  23.853 -16.371  -9.371
  162    HD2  TYR  23           HD2      TYR  23  23.522 -12.857 -11.839
  163    HE1  TYR  23           HE1      TYR  23  21.496 -16.967  -9.892
  164    HE2  TYR  23           HE2      TYR  23  21.142 -13.412 -12.304
  165    HH   TYR  23           HH       TYR  23  19.557 -16.346 -10.986
  166    H    ARG  24           H        ARG  24  25.663 -14.922  -7.371
  167    HA   ARG  24           HA       ARG  24  22.989 -15.384  -6.385
  168    HB2  ARG  24           HB2      ARG  24  25.640 -16.199  -5.098
  169    HB3  ARG  24           HB3      ARG  24  24.043 -16.895  -4.798
  170    HG2  ARG  24           HG2      ARG  24  23.993 -17.543  -7.278
  171    HG3  ARG  24           HG3      ARG  24  25.693 -17.077  -7.356
  172    HD2  ARG  24           HD2      ARG  24  26.248 -18.679  -5.561
  173    HD3  ARG  24           HD3      ARG  24  24.567 -19.193  -5.469
  174    HE   ARG  24           HE       ARG  24  26.558 -19.853  -7.533
  175   HH11  ARG  24          HH11      ARG  24  23.110 -19.933  -6.849
  176   HH12  ARG  24          HH12      ARG  24  22.824 -21.200  -8.008
  177   HH21  ARG  24          HH21      ARG  24  26.124 -21.512  -8.930
  178   HH22  ARG  24          HH22      ARG  24  24.491 -22.062  -9.161
  179    H    ALA  25           H        ALA  25  25.783 -13.696  -4.960
  180    HA   ALA  25           HA       ALA  25  24.473 -12.972  -2.513
  181    HB1  ALA  25           HB1      ALA  25  26.791 -11.610  -3.957
  182    HB2  ALA  25           HB2      ALA  25  26.400 -11.496  -2.222
  183    HB3  ALA  25           HB3      ALA  25  26.951 -13.037  -2.903
  184    H    PHE  26           H        PHE  26  24.792 -11.147  -5.624
  185    HA   PHE  26           HA       PHE  26  23.462  -8.804  -4.692
  186    HB2  PHE  26           HB2      PHE  26  24.821  -8.864  -6.715
  187    HB3  PHE  26           HB3      PHE  26  23.752 -10.016  -7.474
  188    HD1  PHE  26           HD1      PHE  26  24.553  -6.555  -7.139
  189    HD2  PHE  26           HD2      PHE  26  21.241  -9.221  -7.873
  190    HE1  PHE  26           HE1      PHE  26  23.277  -4.703  -8.208
  191    HE2  PHE  26           HE2      PHE  26  19.956  -7.362  -8.851
  192    HZ   PHE  26           HZ       PHE  26  20.967  -5.115  -9.056
  193    H    SER  27           H        SER  27  22.140 -11.688  -6.439
  194    HA   SER  27           HA       SER  27  19.464 -10.693  -6.462
  195    HB2  SER  27           HB2      SER  27  18.780 -12.851  -7.201
  196    HB3  SER  27           HB3      SER  27  20.305 -12.428  -8.002
  197    HG   SER  27           HG       SER  27  20.272 -14.607  -7.211
  198    H    ASP  28           H        ASP  28  21.188 -12.588  -4.003
  199    HA   ASP  28           HA       ASP  28  18.969 -13.270  -2.360
  200    HB2  ASP  28           HB2      ASP  28  21.935 -12.876  -1.922
  201    HB3  ASP  28           HB3      ASP  28  20.888 -13.070  -0.532
  202    H    LYS  29           H        LYS  29  20.764 -10.187  -2.553
  203    HA   LYS  29           HA       LYS  29  18.834  -9.069  -0.550
  204    HB2  LYS  29           HB2      LYS  29  20.730  -7.180  -0.483
  205    HB3  LYS  29           HB3      LYS  29  20.561  -8.483   0.642
  206    HG2  LYS  29           HG2      LYS  29  22.362  -8.724  -1.790
  207    HG3  LYS  29           HG3      LYS  29  22.889  -7.879  -0.345
  208    HD2  LYS  29           HD2      LYS  29  22.089 -10.815  -0.409
  209    HD3  LYS  29           HD3      LYS  29  23.730 -10.176  -0.401
  210    HE2  LYS  29           HE2      LYS  29  23.299  -9.074   1.801
  211    HE3  LYS  29           HE3      LYS  29  21.671  -9.761   1.821
  212    HZ1  LYS  29           HZ1      LYS  29  24.185 -11.368   1.814
  213    HZ2  LYS  29           HZ2      LYS  29  23.217 -11.128   3.104
  214    HZ3  LYS  29           HZ3      LYS  29  22.670 -11.996   1.838
  215    H    TRP  30           H        TRP  30  19.147  -9.081  -3.788
  216    HA   TRP  30           HA       TRP  30  18.612  -6.405  -4.511
  217    HB2  TRP  30           HB2      TRP  30  19.207  -8.131  -6.123
  218    HB3  TRP  30           HB3      TRP  30  17.688  -8.978  -5.820
  219    HD1  TRP  30           HD1      TRP  30  15.963  -8.528  -7.623
  220    HE1  TRP  30           HE1      TRP  30  15.342  -6.605  -9.204
  221    HE3  TRP  30           HE3      TRP  30  19.519  -5.126  -6.202
  222    HZ2  TRP  30           HZ2      TRP  30  16.249  -3.923  -9.756
  223    HZ3  TRP  30           HZ3      TRP  30  19.562  -2.873  -7.204
  224    HH2  TRP  30           HH2      TRP  30  17.956  -2.248  -8.994
  225    H    GLU  31           H        GLU  31  16.930  -5.099  -4.528
  226    HA   GLU  31           HA       GLU  31  14.164  -5.958  -4.391
  227    HB2  GLU  31           HB2      GLU  31  14.819  -5.969  -1.970
  228    HB3  GLU  31           HB3      GLU  31  15.315  -4.278  -2.109
  229    HG2  GLU  31           HG2      GLU  31  12.991  -3.631  -2.658
  230    HG3  GLU  31           HG3      GLU  31  12.500  -5.327  -2.643
  231    H    SER  32           H        SER  32  12.855  -4.369  -5.383
  232    HA   SER  32           HA       SER  32  13.943  -1.676  -5.868
  233    HB2  SER  32           HB2      SER  32  13.786  -1.897  -8.316
  234    HB3  SER  32           HB3      SER  32  15.050  -2.892  -7.605
  235    HG   SER  32           HG       SER  32  13.637  -4.705  -7.806
  236    H    ASP  33           H        ASP  33  12.523  -0.147  -6.641
  237    HA   ASP  33           HA       ASP  33   9.651  -0.729  -6.288
  238    HB2  ASP  33           HB2      ASP  33  10.790   1.215  -5.233
  239    HB3  ASP  33           HB3      ASP  33  11.099   1.881  -6.838
  240    H    TYR  34           H        TYR  34  11.850  -0.158  -8.955
  241    HA   TYR  34           HA       TYR  34   9.732   0.340 -10.928
  242    HB2  TYR  34           HB2      TYR  34  11.393   0.811 -12.441
  243    HB3  TYR  34           HB3      TYR  34  12.067   1.403 -10.947
  244    HD1  TYR  34           HD1      TYR  34  12.670  -0.617 -13.856
  245    HD2  TYR  34           HD2      TYR  34  13.779  -0.137  -9.707
  246    HE1  TYR  34           HE1      TYR  34  14.587  -2.106 -14.200
  247    HE2  TYR  34           HE2      TYR  34  15.715  -1.659 -10.064
  248    HH   TYR  34           HH       TYR  34  16.400  -3.154 -13.245
  249    H    THR  35           H        THR  35  10.433  -1.117 -13.114
  250    HA   THR  35           HA       THR  35   9.098  -3.583 -12.619
  251    HB   THR  35           HB       THR  35  10.534  -3.091 -15.203
  252    HG1  THR  35           HG1      THR  35   8.951  -1.565 -15.785
  253   HG21  THR  35          HG21      THR  35   7.640  -3.822 -14.513
  254   HG22  THR  35          HG22      THR  35   8.337  -3.761 -16.148
  255   HG23  THR  35          HG23      THR  35   8.901  -4.976 -14.998
  256    H    GLY  36           H        GLY  36  12.398  -3.017 -12.103
  257    HA2  GLY  36           HA2      GLY  36  14.093  -4.447 -11.564
  258    HA3  GLY  36           HA3      GLY  36  12.828  -5.667 -11.329
  259    H    ASN  37           H        ASN  37  13.415  -4.334 -14.508
  260    HA   ASN  37           HA       ASN  37  14.139  -7.012 -15.466
  261    HB2  ASN  37           HB2      ASN  37  13.689  -4.455 -17.026
  262    HB3  ASN  37           HB3      ASN  37  13.879  -6.076 -17.698
  263   HD21  ASN  37          HD21      ASN  37  10.578  -7.114 -16.517
  264   HD22  ASN  37          HD22      ASN  37  12.218  -7.738 -16.420
  265    H    LEU  38           H        LEU  38  16.142  -6.890 -14.181
  266    HA   LEU  38           HA       LEU  38  18.387  -5.775 -15.803
  267    HB2  LEU  38           HB2      LEU  38  19.612  -5.163 -13.984
  268    HB3  LEU  38           HB3      LEU  38  18.002  -4.587 -13.606
  269    HG   LEU  38           HG       LEU  38  19.386  -7.044 -12.420
  270   HD11  LEU  38          HD11      LEU  38  18.659  -4.317 -11.314
  271   HD12  LEU  38          HD12      LEU  38  19.164  -5.681 -10.310
  272   HD13  LEU  38          HD13      LEU  38  20.287  -5.031 -11.501
  273   HD21  LEU  38          HD21      LEU  38  16.948  -7.468 -12.451
  274   HD22  LEU  38          HD22      LEU  38  17.528  -7.155 -10.821
  275   HD23  LEU  38          HD23      LEU  38  16.668  -5.871 -11.698
  276    H    THR  39           H        THR  39  20.349  -6.845 -15.942
  277    HA   THR  39           HA       THR  39  20.546  -9.581 -14.800
  278    HB   THR  39           HB       THR  39  19.683  -9.748 -17.142
  279    HG1  THR  39           HG1      THR  39  21.444 -11.333 -17.566
  280   HG21  THR  39          HG21      THR  39  22.508  -8.927 -17.924
  281   HG22  THR  39          HG22      THR  39  21.229  -9.543 -18.991
  282   HG23  THR  39          HG23      THR  39  21.033  -7.968 -18.209
  283    H    ILE  40           H        ILE  40  22.786 -10.444 -14.992
  284    HA   ILE  40           HA       ILE  40  24.751  -8.267 -14.307
  285    HB   ILE  40           HB       ILE  40  24.289 -10.953 -12.980
  286   HG12  ILE  40          HG12      ILE  40  24.056  -8.189 -11.699
  287   HG13  ILE  40          HG13      ILE  40  22.671  -9.000 -12.417
  288   HG21  ILE  40          HG21      ILE  40  26.317  -8.835 -12.109
  289   HG22  ILE  40          HG22      ILE  40  26.108 -10.499 -11.499
  290   HG23  ILE  40          HG23      ILE  40  26.755 -10.239 -13.093
  291   HD11  ILE  40          HD11      ILE  40  24.320 -10.108 -10.129
  292   HD12  ILE  40          HD12      ILE  40  22.688  -9.419 -10.051
  293   HD13  ILE  40          HD13      ILE  40  22.944 -10.926 -10.928
  294    H    ASN  41           H        ASN  41  26.572  -8.343 -15.413
  295    HA   ASN  41           HA       ASN  41  27.311 -10.800 -16.941
  296    HB2  ASN  41           HB2      ASN  41  27.793  -7.933 -17.827
  297    HB3  ASN  41           HB3      ASN  41  27.910  -9.399 -18.784
  298   HD21  ASN  41          HD21      ASN  41  24.287  -7.501 -18.289
  299   HD22  ASN  41          HD22      ASN  41  25.668  -7.099 -17.271
  300    H    GLU  42           H        GLU  42  29.579 -11.351 -16.824
  301    HA   GLU  42           HA       GLU  42  31.318  -9.261 -15.655
  302    HB2  GLU  42           HB2      GLU  42  32.388 -10.676 -14.119
  303    HB3  GLU  42           HB3      GLU  42  30.682 -10.990 -13.933
  304    HG2  GLU  42           HG2      GLU  42  31.447 -13.129 -13.934
  305    HG3  GLU  42           HG3      GLU  42  31.175 -12.913 -15.669
  306    H    ARG  43           H        ARG  43  33.519  -9.289 -16.176
  307    HA   ARG  43           HA       ARG  43  34.246 -10.987 -18.513
  308    HB2  ARG  43           HB2      ARG  43  33.993  -8.543 -19.136
  309    HB3  ARG  43           HB3      ARG  43  35.310  -8.194 -18.029
  310    HG2  ARG  43           HG2      ARG  43  36.314  -8.300 -20.151
  311    HG3  ARG  43           HG3      ARG  43  36.766  -9.812 -19.362
  312    HD2  ARG  43           HD2      ARG  43  34.942 -10.983 -20.617
  313    HD3  ARG  43           HD3      ARG  43  34.499  -9.469 -21.391
  314    HE   ARG  43           HE       ARG  43  36.865 -11.161 -21.920
  315   HH11  ARG  43          HH11      ARG  43  35.389  -8.052 -22.641
  316   HH12  ARG  43          HH12      ARG  43  36.375  -7.821 -24.056
  317   HH21  ARG  43          HH21      ARG  43  38.077 -10.792 -23.732
  318   HH22  ARG  43          HH22      ARG  43  37.856  -9.335 -24.653
  319    HA   PRO  44           HA       PRO  44  37.053 -12.306 -15.326
  320    HB2  PRO  44           HB2      PRO  44  38.013 -14.564 -16.502
  321    HB3  PRO  44           HB3      PRO  44  36.347 -14.444 -15.865
  322    HG2  PRO  44           HG2      PRO  44  37.305 -14.073 -18.720
  323    HG3  PRO  44           HG3      PRO  44  35.925 -15.073 -18.140
  324    HD2  PRO  44           HD2      PRO  44  35.574 -12.567 -19.113
  325    HD3  PRO  44           HD3      PRO  44  34.581 -13.190 -17.762
  326    H    SER  45           H        SER  45  38.981 -11.507 -14.896
  327    HA   SER  45           HA       SER  45  41.015 -11.001 -17.027
  328    HB2  SER  45           HB2      SER  45  39.827  -8.988 -15.069
  329    HB3  SER  45           HB3      SER  45  41.296  -8.713 -16.028
  330    HG   SER  45           HG       SER  45  39.462  -7.852 -17.092
  331    H    ALA  46           H        ALA  46  41.936 -12.926 -15.962
  332    HA   ALA  46           HA       ALA  46  42.350 -13.221 -13.241
  333    HB1  ALA  46           HB1      ALA  46  44.012 -14.335 -15.545
  334    HB2  ALA  46           HB2      ALA  46  43.922 -15.013 -13.905
  335    HB3  ALA  46           HB3      ALA  46  42.480 -15.009 -14.936
  336    H    ARG  47           H        ARG  47  44.198 -11.153 -15.260
  337    HA   ARG  47           HA       ARG  47  46.539 -10.617 -13.754
  338    HB2  ARG  47           HB2      ARG  47  46.421  -8.383 -14.752
  339    HB3  ARG  47           HB3      ARG  47  46.022  -9.622 -15.935
  340    HG2  ARG  47           HG2      ARG  47  43.546  -9.114 -15.484
  341    HG3  ARG  47           HG3      ARG  47  44.077  -7.780 -14.466
  342    HD2  ARG  47           HD2      ARG  47  43.458  -6.895 -16.555
  343    HD3  ARG  47           HD3      ARG  47  45.225  -6.780 -16.465
  344    HE   ARG  47           HE       ARG  47  44.961  -9.118 -17.796
  345   HH11  ARG  47          HH11      ARG  47  43.406  -6.040 -18.440
  346   HH12  ARG  47          HH12      ARG  47  43.185  -6.404 -20.128
  347   HH21  ARG  47          HH21      ARG  47  44.637  -9.518 -19.961
  348   HH22  ARG  47          HH22      ARG  47  43.882  -8.315 -20.961
  349    H    ALA  48           H        ALA  48  43.211  -9.897 -12.883
  350    HA   ALA  48           HA       ALA  48  44.080  -8.924 -10.229
  351    HB1  ALA  48           HB1      ALA  48  42.418  -7.259 -12.172
  352    HB2  ALA  48           HB2      ALA  48  42.708  -6.860 -10.465
  353    HB3  ALA  48           HB3      ALA  48  44.062  -6.898 -11.606
  354    H    GLY  49           H        GLY  49  41.349 -10.081 -12.271
  355    HA2  GLY  49           HA2      GLY  49  39.994 -11.638 -10.533
  356    HA3  GLY  49           HA3      GLY  49  39.466 -10.048  -9.997
  357    H    SER  50           H        SER  50  37.607  -9.337 -10.914
  358    HA   SER  50           HA       SER  50  37.005  -9.969 -13.758
  359    HB2  SER  50           HB2      SER  50  34.612 -10.361 -13.122
  360    HB3  SER  50           HB3      SER  50  35.728 -11.665 -12.691
  361    HG   SER  50           HG       SER  50  34.418 -11.283 -10.942
  362    H    TRP  51           H        TRP  51  35.792  -8.505 -14.868
  363    HA   TRP  51           HA       TRP  51  35.019  -5.942 -13.530
  364    HB2  TRP  51           HB2      TRP  51  35.381  -6.841 -16.349
  365    HB3  TRP  51           HB3      TRP  51  33.996  -5.810 -16.049
  366    HD1  TRP  51           HD1      TRP  51  37.656  -5.657 -16.586
  367    HE1  TRP  51           HE1      TRP  51  38.509  -3.251 -16.358
  368    HE3  TRP  51           HE3      TRP  51  33.470  -3.528 -14.545
  369    HZ2  TRP  51           HZ2      TRP  51  37.450  -0.681 -15.519
  370    HZ3  TRP  51           HZ3      TRP  51  33.429  -1.088 -14.041
  371    HH2  TRP  51           HH2      TRP  51  35.383   0.336 -14.542
  372    H    ILE  52           H        ILE  52  32.967  -5.693 -12.804
  373    HA   ILE  52           HA       ILE  52  30.850  -7.637 -13.664
  374    HB   ILE  52           HB       ILE  52  30.930  -5.902 -11.165
  375   HG12  ILE  52          HG12      ILE  52  32.600  -7.621 -10.882
  376   HG13  ILE  52          HG13      ILE  52  31.196  -7.971  -9.885
  377   HG21  ILE  52          HG21      ILE  52  28.953  -8.034 -12.106
  378   HG22  ILE  52          HG22      ILE  52  28.997  -7.336 -10.475
  379   HG23  ILE  52          HG23      ILE  52  28.637  -6.301 -11.850
  380   HD11  ILE  52          HD11      ILE  52  31.744  -9.289 -12.571
  381   HD12  ILE  52          HD12      ILE  52  32.192  -9.979 -11.022
  382   HD13  ILE  52          HD13      ILE  52  30.473  -9.742 -11.419
  383    H    THR  53           H        THR  53  29.208  -6.888 -14.788
  384    HA   THR  53           HA       THR  53  28.684  -3.945 -14.968
  385    HB   THR  53           HB       THR  53  28.943  -5.858 -17.323
  386    HG1  THR  53           HG1      THR  53  30.799  -4.665 -17.780
  387   HG21  THR  53          HG21      THR  53  28.567  -2.832 -17.249
  388   HG22  THR  53          HG22      THR  53  28.760  -3.825 -18.703
  389   HG23  THR  53          HG23      THR  53  27.302  -3.994 -17.712
  390    H    ILE  54           H        ILE  54  26.625  -3.608 -14.414
  391    HA   ILE  54           HA       ILE  54  24.619  -5.776 -14.869
  392    HB   ILE  54           HB       ILE  54  24.756  -5.370 -12.615
  393   HG12  ILE  54          HG12      ILE  54  22.434  -5.577 -13.466
  394   HG13  ILE  54          HG13      ILE  54  22.623  -4.792 -11.911
  395   HG21  ILE  54          HG21      ILE  54  24.639  -2.401 -13.175
  396   HG22  ILE  54          HG22      ILE  54  24.386  -3.111 -11.560
  397   HG23  ILE  54          HG23      ILE  54  25.931  -3.338 -12.388
  398   HD11  ILE  54          HD11      ILE  54  21.877  -3.429 -14.527
  399   HD12  ILE  54          HD12      ILE  54  20.926  -3.589 -13.070
  400   HD13  ILE  54          HD13      ILE  54  22.347  -2.553 -13.056
  401    H    THR  55           H        THR  55  23.066  -5.577 -16.245
  402    HA   THR  55           HA       THR  55  22.685  -2.967 -17.634
  403    HB   THR  55           HB       THR  55  22.134  -4.373 -19.665
  404    HG1  THR  55           HG1      THR  55  22.605  -6.482 -19.649
  405   HG21  THR  55          HG21      THR  55  24.965  -4.603 -18.528
  406   HG22  THR  55          HG22      THR  55  24.511  -4.971 -20.203
  407   HG23  THR  55          HG23      THR  55  24.336  -3.326 -19.594
  408    H    VAL  56           H        VAL  56  20.651  -2.281 -18.053
  409    HA   VAL  56           HA       VAL  56  18.356  -3.891 -16.996
  410    HB   VAL  56           HB       VAL  56  18.748  -0.902 -17.246
  411   HG11  VAL  56          HG11      VAL  56  16.106  -2.397 -16.848
  412   HG12  VAL  56          HG12      VAL  56  16.362  -0.672 -16.496
  413   HG13  VAL  56          HG13      VAL  56  16.506  -1.253 -18.155
  414   HG21  VAL  56          HG21      VAL  56  19.431  -2.211 -15.186
  415   HG22  VAL  56          HG22      VAL  56  18.165  -1.003 -14.876
  416   HG23  VAL  56          HG23      VAL  56  17.745  -2.720 -15.006
  417    H    ASN  57           H        ASN  57  17.306  -4.915 -18.408
  418    HA   ASN  57           HA       ASN  57  16.653  -5.894 -20.328
  419    HB2  ASN  57           HB2      ASN  57  16.282  -3.054 -21.357
  420    HB3  ASN  57           HB3      ASN  57  15.676  -4.512 -22.124
  421   HD21  ASN  57          HD21      ASN  57  13.508  -2.873 -19.193
  422   HD22  ASN  57          HD22      ASN  57  14.939  -2.099 -19.860
  423    H    GLN  58           H        GLN  58  18.420  -3.178 -21.776
  424    HA   GLN  58           HA       GLN  58  20.506  -4.965 -22.888
  425    HB2  GLN  58           HB2      GLN  58  20.154  -4.101 -25.167
  426    HB3  GLN  58           HB3      GLN  58  18.764  -5.001 -24.571
  427    HG2  GLN  58           HG2      GLN  58  17.510  -2.952 -24.148
  428    HG3  GLN  58           HG3      GLN  58  18.915  -1.955 -24.524
  429   HE21  GLN  58          HE21      GLN  58  18.548  -2.353 -28.092
  430   HE22  GLN  58          HE22      GLN  58  19.719  -1.990 -26.832
  431    H    ASP  59           H        ASP  59  20.022  -2.359 -21.057
  432    HA   ASP  59           HA       ASP  59  22.177  -0.657 -22.281
  433    HB2  ASP  59           HB2      ASP  59  19.715   0.059 -20.649
  434    HB3  ASP  59           HB3      ASP  59  21.031   1.179 -20.967
  435    H    VAL  60           H        VAL  60  23.989  -0.275 -21.077
  436    HA   VAL  60           HA       VAL  60  24.200  -1.446 -18.397
  437    HB   VAL  60           HB       VAL  60  26.117  -1.569 -19.862
  438   HG11  VAL  60          HG11      VAL  60  26.347   1.465 -19.690
  439   HG12  VAL  60          HG12      VAL  60  27.513   0.352 -20.427
  440   HG13  VAL  60          HG13      VAL  60  25.909   0.539 -21.143
  441   HG21  VAL  60          HG21      VAL  60  26.464  -1.494 -17.395
  442   HG22  VAL  60          HG22      VAL  60  27.842  -0.871 -18.323
  443   HG23  VAL  60          HG23      VAL  60  26.759   0.261 -17.512
  444    H    ILE  61           H        ILE  61  24.177  -0.530 -16.470
  445    HA   ILE  61           HA       ILE  61  23.823   2.447 -16.286
  446    HB   ILE  61           HB       ILE  61  22.313   1.938 -14.326
  447   HG12  ILE  61          HG12      ILE  61  21.673  -0.678 -15.690
  448   HG13  ILE  61          HG13      ILE  61  22.828  -0.595 -14.351
  449   HG21  ILE  61          HG21      ILE  61  21.254   1.280 -17.096
  450   HG22  ILE  61          HG22      ILE  61  20.330   1.958 -15.732
  451   HG23  ILE  61          HG23      ILE  61  21.601   2.916 -16.489
  452   HD11  ILE  61          HD11      ILE  61  19.964   0.431 -14.174
  453   HD12  ILE  61          HD12      ILE  61  20.526  -1.131 -13.590
  454   HD13  ILE  61          HD13      ILE  61  21.169   0.356 -12.871
  455    H    PHE  62           H        PHE  62  25.269  -0.443 -14.841
  456    HA   PHE  62           HA       PHE  62  27.045   1.338 -13.374
  457    HB2  PHE  62           HB2      PHE  62  25.378   1.176 -11.693
  458    HB3  PHE  62           HB3      PHE  62  25.147  -0.540 -11.931
  459    HD1  PHE  62           HD1      PHE  62  26.431  -2.089 -10.533
  460    HD2  PHE  62           HD2      PHE  62  27.677   2.029 -10.873
  461    HE1  PHE  62           HE1      PHE  62  28.281  -2.508  -8.909
  462    HE2  PHE  62           HE2      PHE  62  29.485   1.607  -9.230
  463    HZ   PHE  62           HZ       PHE  62  29.780  -0.656  -8.251
  464    H    GLN  63           H        GLN  63  28.991   0.429 -12.867
  465    HA   GLN  63           HA       GLN  63  29.476  -2.384 -13.180
  466    HB2  GLN  63           HB2      GLN  63  31.133  -2.244 -15.004
  467    HB3  GLN  63           HB3      GLN  63  29.502  -1.842 -15.528
  468    HG2  GLN  63           HG2      GLN  63  30.081   0.590 -15.436
  469    HG3  GLN  63           HG3      GLN  63  31.744   0.155 -15.025
  470   HE21  GLN  63          HE21      GLN  63  32.331  -1.269 -18.371
  471   HE22  GLN  63          HE22      GLN  63  32.606  -1.722 -16.700
  472    H    THR  64           H        THR  64  31.444  -3.083 -12.341
  473    HA   THR  64           HA       THR  64  33.395  -1.182 -11.238
  474    HB   THR  64           HB       THR  64  31.545  -1.095  -9.615
  475    HG1  THR  64           HG1      THR  64  32.884  -1.357  -7.858
  476   HG21  THR  64          HG21      THR  64  32.172  -4.017  -8.984
  477   HG22  THR  64          HG22      THR  64  30.980  -2.963  -8.188
  478   HG23  THR  64          HG23      THR  64  30.719  -3.475  -9.857
  479    H    PHE  65           H        PHE  65  35.139  -2.347 -10.015
  480    HA   PHE  65           HA       PHE  65  35.730  -4.942 -11.352
  481    HB2  PHE  65           HB2      PHE  65  37.258  -2.736 -11.290
  482    HB3  PHE  65           HB3      PHE  65  37.802  -3.461  -9.789
  483    HD1  PHE  65           HD1      PHE  65  38.144  -3.387 -13.337
  484    HD2  PHE  65           HD2      PHE  65  38.572  -5.996  -9.940
  485    HE1  PHE  65           HE1      PHE  65  39.569  -4.912 -14.685
  486    HE2  PHE  65           HE2      PHE  65  39.942  -7.543 -11.296
  487    HZ   PHE  65           HZ       PHE  65  40.437  -6.998 -13.696
  488    H    LEU  66           H        LEU  66  35.802  -6.797 -10.233
  489    HA   LEU  66           HA       LEU  66  35.723  -6.769  -7.249
  490    HB2  LEU  66           HB2      LEU  66  34.713  -8.704  -9.320
  491    HB3  LEU  66           HB3      LEU  66  35.161  -9.277  -7.724
  492    HG   LEU  66           HG       LEU  66  32.987  -7.251  -8.273
  493   HD11  LEU  66          HD11      LEU  66  32.886 -10.113  -7.190
  494   HD12  LEU  66          HD12      LEU  66  31.535  -9.072  -7.674
  495   HD13  LEU  66          HD13      LEU  66  32.642  -9.715  -8.889
  496   HD21  LEU  66          HD21      LEU  66  33.932  -6.801  -6.043
  497   HD22  LEU  66          HD22      LEU  66  32.409  -7.687  -5.854
  498   HD23  LEU  66          HD23      LEU  66  33.958  -8.535  -5.671
  499    H    PHE  67           H        PHE  67  37.200  -7.830  -6.090
  500    HA   PHE  67           HA       PHE  67  39.523  -9.097  -7.506
  501    HB2  PHE  67           HB2      PHE  67  39.629  -7.422  -4.989
  502    HB3  PHE  67           HB3      PHE  67  40.992  -8.107  -5.860
  503    HD1  PHE  67           HD1      PHE  67  38.476  -5.417  -5.755
  504    HD2  PHE  67           HD2      PHE  67  41.757  -7.085  -8.002
  505    HE1  PHE  67           HE1      PHE  67  38.636  -3.321  -7.074
  506    HE2  PHE  67           HE2      PHE  67  41.923  -4.973  -9.309
  507    HZ   PHE  67           HZ       PHE  67  40.365  -3.097  -8.852
  508    HA   PRO  68           HA       PRO  68  38.326 -12.513  -4.915
  509    HB2  PRO  68           HB2      PRO  68  40.180 -14.363  -5.638
  510    HB3  PRO  68           HB3      PRO  68  38.947 -13.747  -6.780
  511    HG2  PRO  68           HG2      PRO  68  41.811 -12.758  -6.448
  512    HG3  PRO  68           HG3      PRO  68  40.990 -13.263  -7.968
  513    HD2  PRO  68           HD2      PRO  68  41.161 -10.679  -7.215
  514    HD3  PRO  68           HD3      PRO  68  39.686 -11.331  -8.005
  515    H    LEU  69           H        LEU  69  41.656 -11.266  -4.680
  516    HA   LEU  69           HA       LEU  69  42.284 -12.732  -2.234
  517    HB2  LEU  69           HB2      LEU  69  43.738 -11.649  -4.313
  518    HB3  LEU  69           HB3      LEU  69  43.981 -10.422  -3.081
  519    HG   LEU  69           HG       LEU  69  44.591 -13.408  -2.830
  520   HD11  LEU  69          HD11      LEU  69  46.448 -11.009  -3.139
  521   HD12  LEU  69          HD12      LEU  69  46.945 -12.706  -2.945
  522   HD13  LEU  69          HD13      LEU  69  46.072 -12.206  -4.399
  523   HD21  LEU  69          HD21      LEU  69  44.156 -12.543  -0.598
  524   HD22  LEU  69          HD22      LEU  69  45.893 -12.756  -0.798
  525   HD23  LEU  69          HD23      LEU  69  45.192 -11.126  -0.900
  526    H    LYS  70           H        LYS  70  40.915  -9.642  -3.017
  527    HA   LYS  70           HA       LYS  70  41.326  -8.441  -0.336
  528    HB2  LYS  70           HB2      LYS  70  39.769  -7.408  -2.741
  529    HB3  LYS  70           HB3      LYS  70  40.149  -6.487  -1.296
  530    HG2  LYS  70           HG2      LYS  70  42.180  -7.520  -3.323
  531    HG3  LYS  70           HG3      LYS  70  41.588  -5.869  -3.168
  532    HD2  LYS  70           HD2      LYS  70  42.541  -5.767  -0.848
  533    HD3  LYS  70           HD3      LYS  70  43.239  -7.386  -1.095
  534    HE2  LYS  70           HE2      LYS  70  44.515  -6.549  -3.048
  535    HE3  LYS  70           HE3      LYS  70  43.803  -4.944  -2.839
  536    HZ1  LYS  70           HZ1      LYS  70  45.561  -6.293  -0.844
  537    HZ2  LYS  70           HZ2      LYS  70  46.009  -5.067  -1.821
  538    HZ3  LYS  70           HZ3      LYS  70  44.899  -4.807  -0.656
  539    H    ARG  71           H        ARG  71  39.504  -7.511   0.821
  540    HA   ARG  71           HA       ARG  71  37.243  -9.468   1.035
  541    HB2  ARG  71           HB2      ARG  71  38.578  -7.722   3.136
  542    HB3  ARG  71           HB3      ARG  71  37.165  -8.749   3.424
  543    HG2  ARG  71           HG2      ARG  71  38.443 -10.746   2.712
  544    HG3  ARG  71           HG3      ARG  71  39.890  -9.756   2.497
  545    HD2  ARG  71           HD2      ARG  71  38.373 -10.078   5.120
  546    HD3  ARG  71           HD3      ARG  71  39.794 -11.011   4.681
  547    HE   ARG  71           HE       ARG  71  39.689  -8.210   5.553
  548   HH11  ARG  71          HH11      ARG  71  41.767 -10.596   4.033
  549   HH12  ARG  71          HH12      ARG  71  43.216  -9.713   4.426
  550   HH21  ARG  71          HH21      ARG  71  41.572  -7.136   6.007
  551   HH22  ARG  71          HH22      ARG  71  43.100  -7.802   5.517
  552    H    ASP  72           H        ASP  72  37.383  -6.852  -0.634
  553    HA   ASP  72           HA       ASP  72  35.211  -5.267   0.484
  554    HB2  ASP  72           HB2      ASP  72  35.325  -3.938  -1.453
  555    HB3  ASP  72           HB3      ASP  72  36.964  -4.308  -0.980
  556    H    PHE  73           H        PHE  73  35.213  -8.196  -1.379
  557    HA   PHE  73           HA       PHE  73  33.271  -7.921  -3.242
  558    HB2  PHE  73           HB2      PHE  73  34.466  -9.948  -3.044
  559    HB3  PHE  73           HB3      PHE  73  33.887 -10.268  -1.417
  560    HD1  PHE  73           HD1      PHE  73  33.201 -10.661  -4.970
  561    HD2  PHE  73           HD2      PHE  73  31.505 -11.003  -1.017
  562    HE1  PHE  73           HE1      PHE  73  31.306 -11.980  -5.894
  563    HE2  PHE  73           HE2      PHE  73  29.609 -12.294  -1.943
  564    HZ   PHE  73           HZ       PHE  73  29.493 -12.762  -4.364
  565    H    GLU  74           H        GLU  74  32.417  -8.718   0.172
  566    HA   GLU  74           HA       GLU  74  29.597  -8.786  -0.256
  567    HB2  GLU  74           HB2      GLU  74  31.031  -9.554   1.759
  568    HB3  GLU  74           HB3      GLU  74  30.921  -7.880   2.317
  569    HG2  GLU  74           HG2      GLU  74  28.423  -8.061   2.261
  570    HG3  GLU  74           HG3      GLU  74  28.577  -9.732   1.703
  571    H    LYS  75           H        LYS  75  31.747  -6.118   0.570
  572    HA   LYS  75           HA       LYS  75  29.676  -4.124   1.026
  573    HB2  LYS  75           HB2      LYS  75  32.673  -3.719   0.445
  574    HB3  LYS  75           HB3      LYS  75  31.522  -2.518   1.030
  575    HG2  LYS  75           HG2      LYS  75  32.264  -3.112   3.085
  576    HG3  LYS  75           HG3      LYS  75  31.094  -4.414   2.923
  577    HD2  LYS  75           HD2      LYS  75  33.169  -5.715   1.825
  578    HD3  LYS  75           HD3      LYS  75  34.110  -4.459   2.648
  579    HE2  LYS  75           HE2      LYS  75  32.817  -5.105   4.783
  580    HE3  LYS  75           HE3      LYS  75  32.163  -6.473   3.869
  581    HZ1  LYS  75           HZ1      LYS  75  35.036  -5.973   4.500
  582    HZ2  LYS  75           HZ2      LYS  75  34.121  -7.200   5.062
  583    HZ3  LYS  75           HZ3      LYS  75  34.558  -7.154   3.474
  584    H    THR  76           H        THR  76  31.818  -4.891  -1.712
  585    HA   THR  76           HA       THR  76  30.756  -3.026  -3.586
  586    HB   THR  76           HB       THR  76  32.190  -5.684  -3.920
  587    HG1  THR  76           HG1      THR  76  33.904  -4.443  -3.879
  588   HG21  THR  76          HG21      THR  76  31.428  -3.607  -6.022
  589   HG22  THR  76          HG22      THR  76  32.735  -4.809  -6.236
  590   HG23  THR  76          HG23      THR  76  31.058  -5.342  -6.040
  591    H    VAL  77           H        VAL  77  29.645  -6.374  -2.825
  592    HA   VAL  77           HA       VAL  77  27.528  -6.432  -4.786
  593    HB   VAL  77           HB       VAL  77  27.889  -7.871  -2.137
  594   HG11  VAL  77          HG11      VAL  77  25.631  -8.196  -4.157
  595   HG12  VAL  77          HG12      VAL  77  25.999  -9.335  -2.842
  596   HG13  VAL  77          HG13      VAL  77  25.456  -7.714  -2.452
  597   HG21  VAL  77          HG21      VAL  77  29.318  -8.495  -4.169
  598   HG22  VAL  77          HG22      VAL  77  28.340  -9.796  -3.490
  599   HG23  VAL  77          HG23      VAL  77  27.809  -8.974  -4.972
  600    H    VAL  78           H        VAL  78  27.419  -5.485  -1.287
  601    HA   VAL  78           HA       VAL  78  24.656  -4.741  -1.350
  602    HB   VAL  78           HB       VAL  78  26.926  -3.897   0.488
  603   HG11  VAL  78          HG11      VAL  78  23.931  -3.397   0.818
  604   HG12  VAL  78          HG12      VAL  78  25.146  -3.215   2.101
  605   HG13  VAL  78          HG13      VAL  78  25.203  -2.159   0.692
  606   HG21  VAL  78          HG21      VAL  78  26.254  -6.317   0.514
  607   HG22  VAL  78          HG22      VAL  78  25.896  -5.493   2.034
  608   HG23  VAL  78          HG23      VAL  78  24.588  -5.827   0.875
  609    H    ALA  79           H        ALA  79  27.587  -2.837  -2.025
  610    HA   ALA  79           HA       ALA  79  26.227  -0.308  -2.284
  611    HB1  ALA  79           HB1      ALA  79  28.898  -1.315  -3.356
  612    HB2  ALA  79           HB2      ALA  79  28.409   0.396  -3.191
  613    HB3  ALA  79           HB3      ALA  79  28.620  -0.616  -1.747
  614    H    ALA  80           H        ALA  80  26.916  -2.948  -4.637
  615    HA   ALA  80           HA       ALA  80  26.180  -1.447  -6.974
  616    HB1  ALA  80           HB1      ALA  80  25.998  -4.450  -6.434
  617    HB2  ALA  80           HB2      ALA  80  26.021  -3.650  -8.021
  618    HB3  ALA  80           HB3      ALA  80  27.458  -3.592  -6.974
  619    H    LEU  81           H        LEU  81  24.225  -2.991  -4.466
  620    HA   LEU  81           HA       LEU  81  21.753  -3.205  -5.940
  621    HB2  LEU  81           HB2      LEU  81  22.002  -2.596  -2.968
  622    HB3  LEU  81           HB3      LEU  81  20.664  -3.364  -3.792
  623    HG   LEU  81           HG       LEU  81  23.416  -4.586  -3.451
  624   HD11  LEU  81          HD11      LEU  81  20.865  -5.134  -1.913
  625   HD12  LEU  81          HD12      LEU  81  22.429  -5.971  -1.728
  626   HD13  LEU  81          HD13      LEU  81  22.285  -4.259  -1.298
  627   HD21  LEU  81          HD21      LEU  81  22.168  -5.546  -5.369
  628   HD22  LEU  81          HD22      LEU  81  22.364  -6.712  -4.052
  629   HD23  LEU  81          HD23      LEU  81  20.807  -5.905  -4.277
  630    H    ILE  82           H        ILE  82  23.045  -0.667  -3.802
  631    HA   ILE  82           HA       ILE  82  20.933   1.249  -4.232
  632    HB   ILE  82           HB       ILE  82  23.793   1.661  -3.258
  633   HG12  ILE  82          HG12      ILE  82  21.218   1.284  -1.652
  634   HG13  ILE  82          HG13      ILE  82  22.436   0.034  -1.885
  635   HG21  ILE  82          HG21      ILE  82  21.330   3.458  -2.993
  636   HG22  ILE  82          HG22      ILE  82  22.922   3.770  -2.267
  637   HG23  ILE  82          HG23      ILE  82  22.751   3.788  -4.009
  638   HD11  ILE  82          HD11      ILE  82  22.814   2.616  -0.343
  639   HD12  ILE  82          HD12      ILE  82  22.788   0.961   0.273
  640   HD13  ILE  82          HD13      ILE  82  24.133   1.489  -0.756
  641    H    GLN  83           H        GLN  83  24.215   0.918  -5.683
  642    HA   GLN  83           HA       GLN  83  23.958   3.250  -7.326
  643    HB2  GLN  83           HB2      GLN  83  25.768   0.805  -7.512
  644    HB3  GLN  83           HB3      GLN  83  25.941   2.227  -8.550
  645    HG2  GLN  83           HG2      GLN  83  26.332   3.682  -6.674
  646    HG3  GLN  83           HG3      GLN  83  25.989   2.417  -5.503
  647   HE21  GLN  83          HE21      GLN  83  29.141   0.735  -5.972
  648   HE22  GLN  83          HE22      GLN  83  27.425   0.423  -5.643
  649    H    THR  84           H        THR  84  22.863  -0.054  -7.872
  650    HA   THR  84           HA       THR  84  22.255   0.191 -10.683
  651    HB   THR  84           HB       THR  84  20.982  -1.512  -8.511
  652    HG1  THR  84           HG1      THR  84  23.078  -2.094  -8.879
  653   HG21  THR  84          HG21      THR  84  20.804  -1.797 -11.517
  654   HG22  THR  84          HG22      THR  84  20.195  -2.934 -10.305
  655   HG23  THR  84          HG23      THR  84  19.448  -1.336 -10.471
  656    H    GLU  85           H        GLU  85  20.244   0.910  -7.705
  657    HA   GLU  85           HA       GLU  85  18.085   1.842  -9.457
  658    HB2  GLU  85           HB2      GLU  85  16.874   2.432  -7.536
  659    HB3  GLU  85           HB3      GLU  85  17.540   0.824  -7.298
  660    HG2  GLU  85           HG2      GLU  85  19.105   1.586  -5.684
  661    HG3  GLU  85           HG3      GLU  85  18.905   3.280  -6.133
  662    H    GLU  86           H        GLU  86  20.786   3.449  -7.757
  663    HA   GLU  86           HA       GLU  86  19.880   6.107  -8.022
  664    HB2  GLU  86           HB2      GLU  86  22.649   4.904  -7.985
  665    HB3  GLU  86           HB3      GLU  86  22.397   6.646  -8.066
  666    HG2  GLU  86           HG2      GLU  86  20.970   5.044  -5.944
  667    HG3  GLU  86           HG3      GLU  86  22.670   5.467  -5.735
  668    H    ALA  87           H        ALA  87  21.281   4.058 -10.550
  669    HA   ALA  87           HA       ALA  87  21.570   6.111 -12.554
  670    HB1  ALA  87           HB1      ALA  87  20.909   3.134 -12.846
  671    HB2  ALA  87           HB2      ALA  87  21.532   4.207 -14.112
  672    HB3  ALA  87           HB3      ALA  87  22.549   3.822 -12.707
  673    H    LEU  88           H        LEU  88  18.811   4.075 -11.527
  674    HA   LEU  88           HA       LEU  88  17.106   5.010 -13.734
  675    HB2  LEU  88           HB2      LEU  88  16.450   3.193 -11.407
  676    HB3  LEU  88           HB3      LEU  88  15.513   3.380 -12.886
  677    HG   LEU  88           HG       LEU  88  18.248   2.063 -12.567
  678   HD11  LEU  88          HD11      LEU  88  15.551   0.977 -13.441
  679   HD12  LEU  88          HD12      LEU  88  17.053   0.055 -13.180
  680   HD13  LEU  88          HD13      LEU  88  16.241   0.816 -11.806
  681   HD21  LEU  88          HD21      LEU  88  18.285   3.131 -14.721
  682   HD22  LEU  88          HD22      LEU  88  17.943   1.419 -14.981
  683   HD23  LEU  88          HD23      LEU  88  16.614   2.589 -15.080
  684    H    ASN  89           H        ASN  89  17.638   5.779 -10.413
  685    HA   ASN  89           HA       ASN  89  15.228   7.019  -9.696
  686    HB2  ASN  89           HB2      ASN  89  18.055   7.000  -8.757
  687    HB3  ASN  89           HB3      ASN  89  17.152   8.379  -8.235
  688   HD21  ASN  89          HD21      ASN  89  16.557   4.939  -6.351
  689   HD22  ASN  89          HD22      ASN  89  17.654   5.099  -7.728
  690    H    ARG  90           H        ARG  90  17.784   8.365 -11.710
  691    HA   ARG  90           HA       ARG  90  16.221  10.911 -11.970
  692    HB2  ARG  90           HB2      ARG  90  18.687  10.834 -11.359
  693    HB3  ARG  90           HB3      ARG  90  19.012  10.347 -13.027
  694    HG2  ARG  90           HG2      ARG  90  18.083  12.465 -13.856
  695    HG3  ARG  90           HG3      ARG  90  17.494  12.880 -12.233
  696    HD2  ARG  90           HD2      ARG  90  19.831  12.945 -11.415
  697    HD3  ARG  90           HD3      ARG  90  20.411  12.584 -13.056
  698    HE   ARG  90           HE       ARG  90  18.757  14.820 -13.334
  699   HH11  ARG  90          HH11      ARG  90  21.727  14.193 -11.578
  700   HH12  ARG  90          HH12      ARG  90  22.208  15.867 -11.612
  701   HH21  ARG  90          HH21      ARG  90  19.428  16.936 -13.341
  702   HH22  ARG  90          HH22      ARG  90  20.936  17.376 -12.596
  703    H    ARG  91           H        ARG  91  16.280   7.992 -13.502
  704    HA   ARG  91           HA       ARG  91  15.780   9.002 -16.282
  705    HB2  ARG  91           HB2      ARG  91  15.868   6.194 -15.113
  706    HB3  ARG  91           HB3      ARG  91  15.466   6.551 -16.790
  707    HG2  ARG  91           HG2      ARG  91  17.656   7.419 -17.243
  708    HG3  ARG  91           HG3      ARG  91  18.115   7.357 -15.550
  709    HD2  ARG  91           HD2      ARG  91  18.806   5.205 -15.773
  710    HD3  ARG  91           HD3      ARG  91  17.208   4.705 -16.223
  711    HE   ARG  91           HE       ARG  91  19.475   5.463 -18.017
  712   HH11  ARG  91          HH11      ARG  91  16.159   4.254 -17.983
  713   HH12  ARG  91          HH12      ARG  91  16.243   3.792 -19.655
  714   HH21  ARG  91          HH21      ARG  91  19.477   4.843 -20.125
  715   HH22  ARG  91          HH22      ARG  91  18.067   4.113 -20.829
  716    H    GLN  92           H        GLN  92  14.107   7.020 -13.860
  717    HA   GLN  92           HA       GLN  92  11.450   7.779 -15.033
  718    HB2  GLN  92           HB2      GLN  92  10.834   5.378 -15.035
  719    HB3  GLN  92           HB3      GLN  92  12.030   5.838 -16.241
  720    HG2  GLN  92           HG2      GLN  92  13.817   4.753 -15.048
  721    HG3  GLN  92           HG3      GLN  92  12.827   4.516 -13.609
  722   HE21  GLN  92          HE21      GLN  92  11.012   1.727 -15.003
  723   HE22  GLN  92          HE22      GLN  92  10.886   3.020 -13.817
  724    H    ILE  93           H        ILE  93  13.101   6.297 -12.225
  725    HA   ILE  93           HA       ILE  93  10.633   6.051 -10.720
  726    HB   ILE  93           HB       ILE  93  13.333   6.220  -9.375
  727   HG12  ILE  93          HG12      ILE  93  12.214   3.797 -10.853
  728   HG13  ILE  93          HG13      ILE  93  13.688   4.673 -11.267
  729   HG21  ILE  93          HG21      ILE  93  10.835   4.564  -8.825
  730   HG22  ILE  93          HG22      ILE  93  12.274   4.683  -7.785
  731   HG23  ILE  93          HG23      ILE  93  11.251   6.085  -7.997
  732   HD11  ILE  93          HD11      ILE  93  13.288   2.954  -8.805
  733   HD12  ILE  93          HD12      ILE  93  14.342   2.662 -10.189
  734   HD13  ILE  93          HD13      ILE  93  14.701   4.007  -9.087
  735    H    ASN  94           H        ASN  94  12.663   8.737 -11.422
  736    HA   ASN  94           HA       ASN  94  12.265  10.449  -9.270
  737    HB2  ASN  94           HB2      ASN  94  13.540  10.644 -11.686
  738    HB3  ASN  94           HB3      ASN  94  12.132  11.613 -12.063
  739   HD21  ASN  94          HD21      ASN  94  14.934  12.925  -9.362
  740   HD22  ASN  94          HD22      ASN  94  14.881  11.231  -9.875
  741    H    GLN  95           H        GLN  95  10.038   9.899 -12.037
  742    HA   GLN  95           HA       GLN  95   8.078  11.848 -11.175
  743    HB2  GLN  95           HB2      GLN  95   7.827   9.434 -13.020
  744    HB3  GLN  95           HB3      GLN  95   6.580  10.663 -12.775
  745    HG2  GLN  95           HG2      GLN  95   8.166  12.418 -13.592
  746    HG3  GLN  95           HG3      GLN  95   9.361  11.168 -13.931
  747   HE21  GLN  95          HE21      GLN  95   7.641   9.964 -16.853
  748   HE22  GLN  95          HE22      GLN  95   8.798   9.528 -15.599
  749    H    ALA  96           H        ALA  96   8.432   8.324 -10.662
  750    HA   ALA  96           HA       ALA  96   5.945   7.931  -9.321
  751    HB1  ALA  96           HB1      ALA  96   8.544   6.342  -9.129
  752    HB2  ALA  96           HB2      ALA  96   6.928   5.779  -8.658
  753    HB3  ALA  96           HB3      ALA  96   7.275   6.130 -10.362
  754    H    LEU  97           H        LEU  97   9.235   8.596  -7.985
  755    HA   LEU  97           HA       LEU  97   8.284   8.565  -5.248
  756    HB2  LEU  97           HB2      LEU  97  10.476   9.128  -4.609
  757    HB3  LEU  97           HB3      LEU  97  10.535   7.963  -5.921
  758    HG   LEU  97           HG       LEU  97  10.900  10.119  -7.415
  759   HD11  LEU  97          HD11      LEU  97  12.031  11.029  -4.730
  760   HD12  LEU  97          HD12      LEU  97  12.296  11.820  -6.298
  761   HD13  LEU  97          HD13      LEU  97  10.688  11.811  -5.580
  762   HD21  LEU  97          HD21      LEU  97  12.507   8.275  -7.173
  763   HD22  LEU  97          HD22      LEU  97  13.346   9.831  -7.147
  764   HD23  LEU  97          HD23      LEU  97  13.069   8.946  -5.631
  765    H    LEU  98           H        LEU  98   8.619  11.127  -7.621
  766    HA   LEU  98           HA       LEU  98   8.164  13.305  -5.767
  767    HB2  LEU  98           HB2      LEU  98   9.313  13.567  -7.954
  768    HB3  LEU  98           HB3      LEU  98   7.806  13.153  -8.784
  769    HG   LEU  98           HG       LEU  98   6.753  15.196  -7.696
  770   HD11  LEU  98          HD11      LEU  98   9.667  15.851  -7.034
  771   HD12  LEU  98          HD12      LEU  98   8.283  16.951  -6.863
  772   HD13  LEU  98          HD13      LEU  98   8.401  15.510  -5.842
  773   HD21  LEU  98          HD21      LEU  98   7.548  15.209 -10.025
  774   HD22  LEU  98          HD22      LEU  98   7.824  16.779  -9.256
  775   HD23  LEU  98          HD23      LEU  98   9.182  15.652  -9.482
  776    H    SER  99           H        SER  99   6.009  11.367  -7.879
  777    HA   SER  99           HA       SER  99   3.701  12.871  -7.714
  778    HB2  SER  99           HB2      SER  99   4.089  10.898  -9.167
  779    HB3  SER  99           HB3      SER  99   3.885   9.833  -7.761
  780    HG   SER  99           HG       SER  99   1.951  10.085  -9.037
  781    H    THR 100           H        THR 100   4.987  10.800  -5.187
  782    HA   THR 100           HA       THR 100   2.660  11.371  -3.405
  783    HB   THR 100           HB       THR 100   3.365   9.352  -2.146
  784    HG1  THR 100           HG1      THR 100   4.873   7.967  -3.113
  785   HG21  THR 100          HG21      THR 100   2.889   8.746  -5.095
  786   HG22  THR 100          HG22      THR 100   2.539   7.689  -3.710
  787   HG23  THR 100          HG23      THR 100   1.626   9.191  -3.927
  788    H    GLY 101           H        GLY 101   5.321  12.871  -3.992
  789    HA2  GLY 101           HA2      GLY 101   5.858  13.737  -1.242
  790    HA3  GLY 101           HA3      GLY 101   7.179  12.838  -2.007
  791    H    ASP 102           H        ASP 102   4.836  15.322  -3.170
  792    HA   ASP 102           HA       ASP 102   6.662  16.606  -4.914
  793    HB2  ASP 102           HB2      ASP 102   4.180  17.764  -3.615
  794    HB3  ASP 102           HB3      ASP 102   5.099  18.509  -4.921
  795    H    LEU 103           H        LEU 103   7.528  18.720  -4.897
  796    HA   LEU 103           HA       LEU 103   8.902  19.510  -2.490
  797    HB2  LEU 103           HB2      LEU 103  10.089  20.938  -3.815
  798    HB3  LEU 103           HB3      LEU 103   9.650  19.671  -4.955
  799    HG   LEU 103           HG       LEU 103   8.282  22.393  -4.712
  800   HD11  LEU 103          HD11      LEU 103  10.206  21.329  -6.818
  801   HD12  LEU 103          HD12      LEU 103   9.405  22.916  -6.826
  802   HD13  LEU 103          HD13      LEU 103  10.590  22.533  -5.571
  803   HD21  LEU 103          HD21      LEU 103   6.721  20.735  -5.624
  804   HD22  LEU 103          HD22      LEU 103   7.272  21.795  -6.920
  805   HD23  LEU 103          HD23      LEU 103   7.955  20.162  -6.778
  806    H    ALA 104           H        ALA 104   8.846  21.629  -1.530
  807    HA   ALA 104           HA       ALA 104   6.401  23.244  -1.850
  808    HB1  ALA 104           HB1      ALA 104   7.178  21.976   0.819
  809    HB2  ALA 104           HB2      ALA 104   5.800  23.064   0.537
  810    HB3  ALA 104           HB3      ALA 104   5.822  21.460  -0.207
  811    H    HIS 105           H        HIS 105   9.280  23.717  -2.323
  812    HA   HIS 105           HA       HIS 105   9.829  25.965  -0.393
  813    HB2  HIS 105           HB2      HIS 105  11.381  24.098  -0.172
  814    HB3  HIS 105           HB3      HIS 105  11.769  24.174  -1.890
  815    HD2  HIS 105           HD2      HIS 105  13.707  25.759  -2.594
  816    HE1  HIS 105           HE1      HIS 105  14.184  27.957   1.034
  817    HE2  HIS 105           HE2      HIS 105  15.141  27.553  -1.292
  818    H    ASP 106           H        ASP 106  10.439  25.003  -3.796
  819    HA   ASP 106           HA       ASP 106  10.131  27.834  -4.642
  820    HB2  ASP 106           HB2      ASP 106  12.036  27.705  -6.030
  821    HB3  ASP 106           HB3      ASP 106  12.511  27.255  -4.405
  822    H    GLU 107           H        GLU 107   8.002  26.184  -4.706
  823    HA   GLU 107           HA       GLU 107   7.503  24.666  -7.066
  824    HB2  GLU 107           HB2      GLU 107   5.621  26.328  -5.344
  825    HB3  GLU 107           HB3      GLU 107   5.108  25.189  -6.591
  826    HG2  GLU 107           HG2      GLU 107   6.127  23.327  -5.384
  827    HG3  GLU 107           HG3      GLU 107   6.725  24.417  -4.129
  828    H    PHE 108           H        PHE 108   7.118  28.169  -6.531
  829    HA   PHE 108           HA       PHE 108   6.452  28.587  -9.405
  830    HB2  PHE 108           HB2      PHE 108   4.950  29.842  -7.094
  831    HB3  PHE 108           HB3      PHE 108   4.568  29.951  -8.803
  832    HD1  PHE 108           HD1      PHE 108   4.465  27.300  -9.865
  833    HD2  PHE 108           HD2      PHE 108   3.407  28.574  -5.888
  834    HE1  PHE 108           HE1      PHE 108   2.913  25.372  -9.663
  835    HE2  PHE 108           HE2      PHE 108   1.868  26.635  -5.678
  836    HZ   PHE 108           HZ       PHE 108   1.614  25.034  -7.567
  Start of MODEL    4
    1    H1   ALA   1           H1       ALA   1   0.051   1.858  -4.100
    2    H2   ALA   1           H2       ALA   1  -1.166   1.034  -3.379
    3    H3   ALA   1           H3       ALA   1  -1.468   1.942  -4.706
    4    HA   ALA   1           HA       ALA   1  -1.440  -0.392  -5.285
    5    HB1  ALA   1           HB1      ALA   1   0.936   1.145  -6.446
    6    HB2  ALA   1           HB2      ALA   1   0.146  -0.267  -7.175
    7    HB3  ALA   1           HB3      ALA   1  -0.747   1.252  -7.008
    8    H    VAL   2           H        VAL   2  -0.169  -2.344  -5.639
    9    HA   VAL   2           HA       VAL   2   2.254  -2.716  -3.954
   10    HB   VAL   2           HB       VAL   2   1.395  -4.860  -3.094
   11   HG11  VAL   2          HG11      VAL   2  -0.371  -2.541  -2.237
   12   HG12  VAL   2          HG12      VAL   2   0.040  -3.990  -1.301
   13   HG13  VAL   2          HG13      VAL   2   1.304  -2.813  -1.702
   14   HG21  VAL   2          HG21      VAL   2  -0.409  -5.327  -4.731
   15   HG22  VAL   2          HG22      VAL   2  -0.991  -5.380  -3.065
   16   HG23  VAL   2          HG23      VAL   2  -1.352  -3.969  -4.076
   17    H    GLU   3           H        GLU   3   3.435  -4.685  -4.441
   18    HA   GLU   3           HA       GLU   3   2.796  -6.032  -6.999
   19    HB2  GLU   3           HB2      GLU   3   4.370  -4.128  -7.464
   20    HB3  GLU   3           HB3      GLU   3   5.551  -4.886  -6.393
   21    HG2  GLU   3           HG2      GLU   3   5.623  -6.873  -7.873
   22    HG3  GLU   3           HG3      GLU   3   4.366  -6.176  -8.893
   23    H    VAL   4           H        VAL   4   3.519  -8.156  -7.132
   24    HA   VAL   4           HA       VAL   4   4.283  -9.394  -4.523
   25    HB   VAL   4           HB       VAL   4   2.897 -10.836  -6.747
   26   HG11  VAL   4          HG11      VAL   4   2.745 -11.103  -3.694
   27   HG12  VAL   4          HG12      VAL   4   1.938 -12.162  -4.868
   28   HG13  VAL   4          HG13      VAL   4   3.695 -12.161  -4.750
   29   HG21  VAL   4          HG21      VAL   4   1.412  -8.927  -6.416
   30   HG22  VAL   4          HG22      VAL   4   0.694 -10.328  -5.635
   31   HG23  VAL   4          HG23      VAL   4   1.519  -9.102  -4.648
   32    H    GLU   5           H        GLU   5   6.222  -8.397  -6.293
   33    HA   GLU   5           HA       GLU   5   8.193  -8.827  -7.344
   34    HB2  GLU   5           HB2      GLU   5   8.132 -11.452  -5.820
   35    HB3  GLU   5           HB3      GLU   5   9.541 -10.678  -6.552
   36    HG2  GLU   5           HG2      GLU   5   9.296  -8.741  -5.045
   37    HG3  GLU   5           HG3      GLU   5   7.890  -9.491  -4.286
   38    H    VAL   6           H        VAL   6   5.908  -9.340  -8.854
   39    HA   VAL   6           HA       VAL   6   6.017 -11.800 -10.257
   40    HB   VAL   6           HB       VAL   6   4.682  -9.193 -11.033
   41   HG11  VAL   6          HG11      VAL   6   4.306 -11.985 -12.202
   42   HG12  VAL   6          HG12      VAL   6   3.250 -10.591 -12.511
   43   HG13  VAL   6          HG13      VAL   6   4.923 -10.556 -13.065
   44   HG21  VAL   6          HG21      VAL   6   3.821 -10.169  -8.936
   45   HG22  VAL   6          HG22      VAL   6   2.638 -10.334 -10.233
   46   HG23  VAL   6          HG23      VAL   6   3.610 -11.738  -9.741
   47    HA   PRO   7           HA       PRO   7   8.431  -9.863 -13.835
   48    HB2  PRO   7           HB2      PRO   7   9.521  -7.408 -13.857
   49    HB3  PRO   7           HB3      PRO   7   7.770  -7.622 -14.111
   50    HG2  PRO   7           HG2      PRO   7   9.171  -6.987 -11.495
   51    HG3  PRO   7           HG3      PRO   7   7.799  -6.101 -12.243
   52    HD2  PRO   7           HD2      PRO   7   7.412  -8.000 -10.342
   53    HD3  PRO   7           HD3      PRO   7   6.281  -7.826 -11.719
   54    H    GLY   8           H        GLY   8  10.690  -9.565 -14.414
   55    HA2  GLY   8           HA2      GLY   8  12.952  -8.961 -13.195
   56    HA3  GLY   8           HA3      GLY   8  12.613 -10.435 -12.297
   57    H    LEU   9           H        LEU   9  14.819  -9.703 -14.210
   58    HA   LEU   9           HA       LEU   9  14.824 -12.280 -15.601
   59    HB2  LEU   9           HB2      LEU   9  15.460 -11.399 -17.795
   60    HB3  LEU   9           HB3      LEU   9  13.831 -11.038 -17.288
   61    HG   LEU   9           HG       LEU   9  14.569  -8.689 -16.729
   62   HD11  LEU   9          HD11      LEU   9  17.034  -9.482 -18.332
   63   HD12  LEU   9          HD12      LEU   9  16.562  -7.815 -17.936
   64   HD13  LEU   9          HD13      LEU   9  17.003  -8.938 -16.646
   65   HD21  LEU   9          HD21      LEU   9  13.327  -9.262 -18.767
   66   HD22  LEU   9          HD22      LEU   9  14.490  -7.967 -19.083
   67   HD23  LEU   9          HD23      LEU   9  14.849  -9.627 -19.605
   68    H    LEU  10           H        LEU  10  16.216 -11.486 -13.302
   69    HA   LEU  10           HA       LEU  10  19.006 -10.973 -13.851
   70    HB2  LEU  10           HB2      LEU  10  17.551 -12.317 -11.552
   71    HB3  LEU  10           HB3      LEU  10  19.290 -12.294 -11.633
   72    HG   LEU  10           HG       LEU  10  17.842  -9.665 -11.890
   73   HD11  LEU  10          HD11      LEU  10  18.352 -11.113  -9.256
   74   HD12  LEU  10          HD12      LEU  10  17.866  -9.410  -9.421
   75   HD13  LEU  10          HD13      LEU  10  16.766 -10.696  -9.940
   76   HD21  LEU  10          HD21      LEU  10  20.340  -9.803 -12.099
   77   HD22  LEU  10          HD22      LEU  10  19.824  -8.808 -10.726
   78   HD23  LEU  10          HD23      LEU  10  20.410 -10.456 -10.437
   79    H    THR  11           H        THR  11  20.289 -12.176 -15.008
   80    HA   THR  11           HA       THR  11  20.065 -15.142 -14.865
   81    HB   THR  11           HB       THR  11  20.791 -13.426 -17.253
   82    HG1  THR  11           HG1      THR  11  18.974 -14.411 -18.122
   83   HG21  THR  11          HG21      THR  11  20.978 -16.444 -16.870
   84   HG22  THR  11          HG22      THR  11  20.947 -15.650 -18.458
   85   HG23  THR  11          HG23      THR  11  22.276 -15.316 -17.346
   86    H    ASP  12           H        ASP  12  21.841 -16.291 -14.528
   87    HA   ASP  12           HA       ASP  12  24.253 -15.060 -13.522
   88    HB2  ASP  12           HB2      ASP  12  24.916 -17.336 -13.039
   89    HB3  ASP  12           HB3      ASP  12  23.290 -17.026 -12.468
   90    H    HIS  13           H        HIS  13  24.359 -13.913 -15.770
   91    HA   HIS  13           HA       HIS  13  25.884 -15.421 -17.814
   92    HB2  HIS  13           HB2      HIS  13  24.915 -12.558 -17.605
   93    HB3  HIS  13           HB3      HIS  13  26.042 -13.075 -18.853
   94    HD2  HIS  13           HD2      HIS  13  24.816 -15.710 -19.931
   95    HE1  HIS  13           HE1      HIS  13  21.271 -13.444 -20.626
   96    HE2  HIS  13           HE2      HIS  13  22.540 -15.563 -21.248
   97    H    THR  14           H        THR  14  27.040 -15.753 -15.420
   98    HA   THR  14           HA       THR  14  29.489 -14.136 -15.554
   99    HB   THR  14           HB       THR  14  29.602 -14.043 -13.094
  100    HG1  THR  14           HG1      THR  14  27.759 -14.531 -11.912
  101   HG21  THR  14          HG21      THR  14  26.959 -12.860 -14.018
  102   HG22  THR  14          HG22      THR  14  27.986 -12.322 -12.675
  103   HG23  THR  14          HG23      THR  14  28.548 -12.131 -14.345
  104    H    VAL  15           H        VAL  15  31.429 -15.201 -15.351
  105    HA   VAL  15           HA       VAL  15  31.363 -18.125 -14.737
  106    HB   VAL  15           HB       VAL  15  32.695 -18.589 -16.735
  107   HG11  VAL  15          HG11      VAL  15  30.071 -17.224 -17.402
  108   HG12  VAL  15          HG12      VAL  15  30.880 -18.520 -18.309
  109   HG13  VAL  15          HG13      VAL  15  30.237 -18.842 -16.687
  110   HG21  VAL  15          HG21      VAL  15  33.675 -16.352 -17.197
  111   HG22  VAL  15          HG22      VAL  15  32.831 -17.017 -18.600
  112   HG23  VAL  15          HG23      VAL  15  32.067 -15.740 -17.632
  113    H    SER  16           H        SER  16  32.299 -16.135 -13.036
  114    HA   SER  16           HA       SER  16  35.258 -16.677 -12.884
  115    HB2  SER  16           HB2      SER  16  35.196 -14.417 -13.365
  116    HB3  SER  16           HB3      SER  16  33.658 -14.169 -12.529
  117    HG   SER  16           HG       SER  16  36.226 -14.098 -11.511
  118    H    SER  17           H        SER  17  36.185 -17.068 -10.838
  119    HA   SER  17           HA       SER  17  34.679 -18.464  -8.909
  120    HB2  SER  17           HB2      SER  17  37.319 -17.008  -8.496
  121    HB3  SER  17           HB3      SER  17  36.676 -18.338  -7.511
  122    HG   SER  17           HG       SER  17  38.184 -19.093  -9.085
  123    H    ILE  18           H        ILE  18  35.365 -14.993  -9.064
  124    HA   ILE  18           HA       ILE  18  33.726 -14.510  -6.607
  125    HB   ILE  18           HB       ILE  18  34.376 -12.028  -7.313
  126   HG12  ILE  18          HG12      ILE  18  36.836 -13.563  -8.259
  127   HG13  ILE  18          HG13      ILE  18  35.603 -12.879  -9.336
  128   HG21  ILE  18          HG21      ILE  18  36.249 -13.919  -5.840
  129   HG22  ILE  18          HG22      ILE  18  36.170 -12.146  -5.652
  130   HG23  ILE  18          HG23      ILE  18  34.808 -13.138  -5.146
  131   HD11  ILE  18          HD11      ILE  18  37.115 -11.120  -7.444
  132   HD12  ILE  18          HD12      ILE  18  37.690 -11.552  -9.078
  133   HD13  ILE  18          HD13      ILE  18  36.163 -10.717  -8.898
  134    H    GLY  19           H        GLY  19  33.682 -13.797 -10.153
  135    HA2  GLY  19           HA2      GLY  19  31.341 -12.146  -9.993
  136    HA3  GLY  19           HA3      GLY  19  31.965 -12.927 -11.443
  137    H    HIS  20           H        HIS  20  31.609 -15.684 -10.252
  138    HA   HIS  20           HA       HIS  20  28.832 -16.252 -10.849
  139    HB2  HIS  20           HB2      HIS  20  30.634 -17.881 -11.165
  140    HB3  HIS  20           HB3      HIS  20  30.986 -17.863  -9.434
  141    HD2  HIS  20           HD2      HIS  20  29.599 -19.435  -7.879
  142    HE1  HIS  20           HE1      HIS  20  26.899 -21.001 -10.788
  143    HE2  HIS  20           HE2      HIS  20  27.742 -21.232  -8.392
  144    H    ASP  21           H        ASP  21  30.646 -15.684  -7.805
  145    HA   ASP  21           HA       ASP  21  28.322 -16.261  -6.121
  146    HB2  ASP  21           HB2      ASP  21  31.151 -15.322  -5.630
  147    HB3  ASP  21           HB3      ASP  21  29.919 -15.131  -4.389
  148    H    PHE  22           H        PHE  22  29.815 -13.273  -7.495
  149    HA   PHE  22           HA       PHE  22  28.233 -11.370  -6.118
  150    HB2  PHE  22           HB2      PHE  22  30.044 -10.834  -7.767
  151    HB3  PHE  22           HB3      PHE  22  28.991 -11.318  -9.070
  152    HD1  PHE  22           HD1      PHE  22  29.726  -8.631  -6.638
  153    HD2  PHE  22           HD2      PHE  22  26.908 -10.038  -9.566
  154    HE1  PHE  22           HE1      PHE  22  28.759  -6.353  -6.811
  155    HE2  PHE  22           HE2      PHE  22  25.884  -7.780  -9.679
  156    HZ   PHE  22           HZ       PHE  22  26.837  -5.931  -8.333
  157    H    TYR  23           H        TYR  23  27.329 -13.303  -9.006
  158    HA   TYR  23           HA       TYR  23  24.774 -12.213  -9.456
  159    HB2  TYR  23           HB2      TYR  23  25.762 -13.864 -10.958
  160    HB3  TYR  23           HB3      TYR  23  25.693 -15.102  -9.694
  161    HD1  TYR  23           HD1      TYR  23  23.749 -16.414  -9.348
  162    HD2  TYR  23           HD2      TYR  23  23.564 -12.883 -11.803
  163    HE1  TYR  23           HE1      TYR  23  21.376 -16.925  -9.893
  164    HE2  TYR  23           HE2      TYR  23  21.173 -13.353 -12.296
  165    HH   TYR  23           HH       TYR  23  19.472 -16.232 -11.002
  166    H    ARG  24           H        ARG  24  25.563 -14.960  -7.307
  167    HA   ARG  24           HA       ARG  24  22.859 -15.305  -6.344
  168    HB2  ARG  24           HB2      ARG  24  25.486 -16.280  -5.114
  169    HB3  ARG  24           HB3      ARG  24  23.856 -16.857  -4.735
  170    HG2  ARG  24           HG2      ARG  24  23.646 -17.457  -7.227
  171    HG3  ARG  24           HG3      ARG  24  25.388 -17.192  -7.351
  172    HD2  ARG  24           HD2      ARG  24  25.838 -18.911  -5.683
  173    HD3  ARG  24           HD3      ARG  24  24.096 -19.124  -5.392
  174    HE   ARG  24           HE       ARG  24  24.626 -19.532  -8.169
  175   HH11  ARG  24          HH11      ARG  24  25.198 -21.196  -5.137
  176   HH12  ARG  24          HH12      ARG  24  25.126 -22.771  -5.877
  177   HH21  ARG  24          HH21      ARG  24  24.476 -21.582  -9.042
  178   HH22  ARG  24          HH22      ARG  24  24.747 -22.973  -8.038
  179    H    ALA  25           H        ALA  25  25.715 -13.736  -4.910
  180    HA   ALA  25           HA       ALA  25  24.434 -12.965  -2.462
  181    HB1  ALA  25           HB1      ALA  25  26.766 -11.645  -3.925
  182    HB2  ALA  25           HB2      ALA  25  26.386 -11.521  -2.190
  183    HB3  ALA  25           HB3      ALA  25  26.912 -13.072  -2.867
  184    H    PHE  26           H        PHE  26  24.767 -11.172  -5.591
  185    HA   PHE  26           HA       PHE  26  23.462  -8.808  -4.668
  186    HB2  PHE  26           HB2      PHE  26  24.817  -8.885  -6.692
  187    HB3  PHE  26           HB3      PHE  26  23.746 -10.037  -7.444
  188    HD1  PHE  26           HD1      PHE  26  24.554  -6.573  -7.123
  189    HD2  PHE  26           HD2      PHE  26  21.239  -9.235  -7.850
  190    HE1  PHE  26           HE1      PHE  26  23.278  -4.720  -8.191
  191    HE2  PHE  26           HE2      PHE  26  19.956  -7.377  -8.828
  192    HZ   PHE  26           HZ       PHE  26  20.962  -5.128  -9.032
  193    H    SER  27           H        SER  27  22.114 -11.688  -6.408
  194    HA   SER  27           HA       SER  27  19.449 -10.670  -6.430
  195    HB2  SER  27           HB2      SER  27  18.745 -12.823  -7.166
  196    HB3  SER  27           HB3      SER  27  20.274 -12.415  -7.967
  197    HG   SER  27           HG       SER  27  20.207 -14.598  -7.164
  198    H    ASP  28           H        ASP  28  21.147 -12.573  -3.963
  199    HA   ASP  28           HA       ASP  28  18.926 -13.244  -2.323
  200    HB2  ASP  28           HB2      ASP  28  21.891 -12.840  -1.879
  201    HB3  ASP  28           HB3      ASP  28  20.841 -13.039  -0.491
  202    H    LYS  29           H        LYS  29  20.734 -10.168  -2.516
  203    HA   LYS  29           HA       LYS  29  18.793  -9.031  -0.532
  204    HB2  LYS  29           HB2      LYS  29  20.696  -7.148  -0.469
  205    HB3  LYS  29           HB3      LYS  29  20.520  -8.443   0.663
  206    HG2  LYS  29           HG2      LYS  29  22.326  -8.702  -1.763
  207    HG3  LYS  29           HG3      LYS  29  22.852  -7.853  -0.320
  208    HD2  LYS  29           HD2      LYS  29  22.054 -10.788  -0.383
  209    HD3  LYS  29           HD3      LYS  29  23.692 -10.145  -0.359
  210    HE2  LYS  29           HE2      LYS  29  23.234  -9.043   1.837
  211    HE3  LYS  29           HE3      LYS  29  21.610  -9.737   1.843
  212    HZ1  LYS  29           HZ1      LYS  29  24.133 -11.331   1.862
  213    HZ2  LYS  29           HZ2      LYS  29  23.150 -11.096   3.141
  214    HZ3  LYS  29           HZ3      LYS  29  22.621 -11.967   1.871
  215    H    TRP  30           H        TRP  30  19.109  -9.086  -3.760
  216    HA   TRP  30           HA       TRP  30  18.657  -6.405  -4.519
  217    HB2  TRP  30           HB2      TRP  30  19.251  -8.121  -6.119
  218    HB3  TRP  30           HB3      TRP  30  17.737  -8.981  -5.822
  219    HD1  TRP  30           HD1      TRP  30  15.971  -8.521  -7.581
  220    HE1  TRP  30           HE1      TRP  30  15.317  -6.593  -9.140
  221    HE3  TRP  30           HE3      TRP  30  19.581  -5.146  -6.242
  222    HZ2  TRP  30           HZ2      TRP  30  16.178  -3.897  -9.654
  223    HZ3  TRP  30           HZ3      TRP  30  19.596  -2.879  -7.219
  224    HH2  TRP  30           HH2      TRP  30  17.943  -2.233  -8.943
  225    H    GLU  31           H        GLU  31  17.053  -5.036  -4.448
  226    HA   GLU  31           HA       GLU  31  14.278  -5.760  -4.685
  227    HB2  GLU  31           HB2      GLU  31  14.604  -6.041  -2.213
  228    HB3  GLU  31           HB3      GLU  31  15.193  -4.379  -2.110
  229    HG2  GLU  31           HG2      GLU  31  12.996  -3.543  -2.875
  230    HG3  GLU  31           HG3      GLU  31  12.427  -5.199  -3.104
  231    H    SER  32           H        SER  32  13.222  -4.042  -5.721
  232    HA   SER  32           HA       SER  32  14.271  -1.309  -5.509
  233    HB2  SER  32           HB2      SER  32  15.555  -2.489  -7.352
  234    HB3  SER  32           HB3      SER  32  14.045  -2.377  -8.288
  235    HG   SER  32           HG       SER  32  15.629  -0.298  -7.117
  236    H    ASP  33           H        ASP  33  12.914   0.261  -6.723
  237    HA   ASP  33           HA       ASP  33  10.076  -0.341  -6.175
  238    HB2  ASP  33           HB2      ASP  33  11.246   1.710  -5.351
  239    HB3  ASP  33           HB3      ASP  33  11.372   2.267  -7.023
  240    H    TYR  34           H        TYR  34  12.065   0.004  -9.016
  241    HA   TYR  34           HA       TYR  34   9.802   0.367 -10.868
  242    HB2  TYR  34           HB2      TYR  34  11.366   0.729 -12.531
  243    HB3  TYR  34           HB3      TYR  34  12.098   1.476 -11.129
  244    HD1  TYR  34           HD1      TYR  34  13.780  -0.029  -9.773
  245    HD2  TYR  34           HD2      TYR  34  12.675  -0.735 -13.879
  246    HE1  TYR  34           HE1      TYR  34  15.677  -1.566  -9.986
  247    HE2  TYR  34           HE2      TYR  34  14.610  -2.248 -14.130
  248    HH   TYR  34           HH       TYR  34  16.923  -2.895 -11.478
  249    H    THR  35           H        THR  35  10.444  -1.199 -13.003
  250    HA   THR  35           HA       THR  35   9.129  -3.639 -12.328
  251    HB   THR  35           HB       THR  35  10.429  -3.184 -14.996
  252    HG1  THR  35           HG1      THR  35   8.764  -1.739 -15.531
  253   HG21  THR  35          HG21      THR  35   7.621  -4.057 -14.141
  254   HG22  THR  35          HG22      THR  35   8.196  -3.938 -15.819
  255   HG23  THR  35          HG23      THR  35   8.906  -5.130 -14.734
  256    H    GLY  36           H        GLY  36  12.449  -3.053 -11.996
  257    HA2  GLY  36           HA2      GLY  36  14.161  -4.482 -11.481
  258    HA3  GLY  36           HA3      GLY  36  12.910  -5.712 -11.210
  259    H    ASN  37           H        ASN  37  13.389  -4.369 -14.402
  260    HA   ASN  37           HA       ASN  37  14.097  -7.036 -15.388
  261    HB2  ASN  37           HB2      ASN  37  13.614  -4.472 -16.925
  262    HB3  ASN  37           HB3      ASN  37  13.785  -6.091 -17.608
  263   HD21  ASN  37          HD21      ASN  37  10.516  -7.134 -16.353
  264   HD22  ASN  37          HD22      ASN  37  12.158  -7.757 -16.297
  265    H    LEU  38           H        LEU  38  16.117  -6.894 -14.120
  266    HA   LEU  38           HA       LEU  38  18.349  -5.801 -15.773
  267    HB2  LEU  38           HB2      LEU  38  19.574  -5.169 -13.959
  268    HB3  LEU  38           HB3      LEU  38  17.956  -4.610 -13.569
  269    HG   LEU  38           HG       LEU  38  19.368  -7.070 -12.409
  270   HD11  LEU  38          HD11      LEU  38  18.681  -4.343 -11.286
  271   HD12  LEU  38          HD12      LEU  38  19.171  -5.716 -10.287
  272   HD13  LEU  38          HD13      LEU  38  20.294  -5.079 -11.485
  273   HD21  LEU  38          HD21      LEU  38  16.934  -7.490 -12.409
  274   HD22  LEU  38          HD22      LEU  38  17.525  -7.175 -10.783
  275   HD23  LEU  38          HD23      LEU  38  16.660  -5.893 -11.659
  276    H    THR  39           H        THR  39  20.332  -6.876 -15.879
  277    HA   THR  39           HA       THR  39  20.510  -9.615 -14.739
  278    HB   THR  39           HB       THR  39  19.635  -9.784 -17.071
  279    HG1  THR  39           HG1      THR  39  21.393 -11.372 -17.509
  280   HG21  THR  39          HG21      THR  39  22.455  -8.968 -17.876
  281   HG22  THR  39          HG22      THR  39  21.168  -9.584 -18.933
  282   HG23  THR  39          HG23      THR  39  20.979  -8.007 -18.152
  283    H    ILE  40           H        ILE  40  22.747 -10.498 -14.937
  284    HA   ILE  40           HA       ILE  40  24.732  -8.335 -14.267
  285    HB   ILE  40           HB       ILE  40  24.257 -11.011 -12.928
  286   HG12  ILE  40          HG12      ILE  40  24.047  -8.247 -11.647
  287   HG13  ILE  40          HG13      ILE  40  22.654  -9.045 -12.365
  288   HG21  ILE  40          HG21      ILE  40  26.308  -8.912 -12.072
  289   HG22  ILE  40          HG22      ILE  40  26.083 -10.569 -11.452
  290   HG23  ILE  40          HG23      ILE  40  26.725 -10.328 -13.049
  291   HD11  ILE  40          HD11      ILE  40  24.293 -10.164 -10.075
  292   HD12  ILE  40          HD12      ILE  40  22.662  -9.471 -10.005
  293   HD13  ILE  40          HD13      ILE  40  22.917 -10.979 -10.877
  294    H    ASN  41           H        ASN  41  26.541  -8.424 -15.388
  295    HA   ASN  41           HA       ASN  41  27.271 -10.896 -16.895
  296    HB2  ASN  41           HB2      ASN  41  27.753  -8.037 -17.810
  297    HB3  ASN  41           HB3      ASN  41  27.855  -9.512 -18.756
  298   HD21  ASN  41          HD21      ASN  41  24.250  -7.585 -18.254
  299   HD22  ASN  41          HD22      ASN  41  25.637  -7.186 -17.244
  300    H    GLU  42           H        GLU  42  29.549 -11.447 -16.779
  301    HA   GLU  42           HA       GLU  42  31.292  -9.328 -15.673
  302    HB2  GLU  42           HB2      GLU  42  32.357 -10.712 -14.092
  303    HB3  GLU  42           HB3      GLU  42  30.643 -10.981 -13.891
  304    HG2  GLU  42           HG2      GLU  42  31.384 -13.131 -13.805
  305    HG3  GLU  42           HG3      GLU  42  31.075 -12.974 -15.543
  306    H    ARG  43           H        ARG  43  33.499  -9.400 -16.160
  307    HA   ARG  43           HA       ARG  43  34.246 -11.194 -18.417
  308    HB2  ARG  43           HB2      ARG  43  34.009  -8.790 -19.163
  309    HB3  ARG  43           HB3      ARG  43  35.304  -8.379 -18.050
  310    HG2  ARG  43           HG2      ARG  43  36.344  -8.595 -20.155
  311    HG3  ARG  43           HG3      ARG  43  36.792 -10.055 -19.270
  312    HD2  ARG  43           HD2      ARG  43  34.988 -11.306 -20.484
  313    HD3  ARG  43           HD3      ARG  43  34.566  -9.845 -21.361
  314    HE   ARG  43           HE       ARG  43  36.952 -11.562 -21.713
  315   HH11  ARG  43          HH11      ARG  43  35.469  -8.532 -22.701
  316   HH12  ARG  43          HH12      ARG  43  36.481  -8.402 -24.111
  317   HH21  ARG  43          HH21      ARG  43  38.197 -11.325 -23.524
  318   HH22  ARG  43          HH22      ARG  43  37.984  -9.944 -24.559
  319    HA   PRO  44           HA       PRO  44  37.118 -12.313 -15.180
  320    HB2  PRO  44           HB2      PRO  44  37.967 -14.691 -16.189
  321    HB3  PRO  44           HB3      PRO  44  36.328 -14.466 -15.516
  322    HG2  PRO  44           HG2      PRO  44  37.198 -14.407 -18.419
  323    HG3  PRO  44           HG3      PRO  44  35.801 -15.274 -17.699
  324    HD2  PRO  44           HD2      PRO  44  35.568 -12.837 -18.911
  325    HD3  PRO  44           HD3      PRO  44  34.538 -13.320 -17.534
  326    H    SER  45           H        SER  45  39.066 -11.408 -14.941
  327    HA   SER  45           HA       SER  45  40.961 -11.192 -17.241
  328    HB2  SER  45           HB2      SER  45  39.896  -8.892 -15.555
  329    HB3  SER  45           HB3      SER  45  41.229  -8.787 -16.726
  330    HG   SER  45           HG       SER  45  39.260  -8.140 -17.687
  331    H    ALA  46           H        ALA  46  42.546 -12.434 -16.402
  332    HA   ALA  46           HA       ALA  46  43.113 -12.764 -13.689
  333    HB1  ALA  46           HB1      ALA  46  44.894 -13.297 -16.112
  334    HB2  ALA  46           HB2      ALA  46  45.065 -14.044 -14.511
  335    HB3  ALA  46           HB3      ALA  46  43.627 -14.380 -15.488
  336    H    ARG  47           H        ARG  47  44.102 -10.094 -15.560
  337    HA   ARG  47           HA       ARG  47  46.377  -9.108 -14.187
  338    HB2  ARG  47           HB2      ARG  47  45.625  -6.908 -14.867
  339    HB3  ARG  47           HB3      ARG  47  45.330  -8.056 -16.168
  340    HG2  ARG  47           HG2      ARG  47  42.915  -8.218 -15.339
  341    HG3  ARG  47           HG3      ARG  47  43.256  -6.876 -14.253
  342    HD2  ARG  47           HD2      ARG  47  43.584  -6.753 -17.277
  343    HD3  ARG  47           HD3      ARG  47  42.126  -6.255 -16.401
  344    HE   ARG  47           HE       ARG  47  44.346  -4.883 -15.263
  345   HH11  ARG  47          HH11      ARG  47  42.512  -4.824 -18.254
  346   HH12  ARG  47          HH12      ARG  47  42.821  -3.131 -18.516
  347   HH21  ARG  47          HH21      ARG  47  44.710  -2.726 -15.669
  348   HH22  ARG  47          HH22      ARG  47  44.038  -1.982 -17.088
  349    H    ALA  48           H        ALA  48  43.055  -9.365 -12.999
  350    HA   ALA  48           HA       ALA  48  43.910  -8.588 -10.292
  351    HB1  ALA  48           HB1      ALA  48  42.086  -6.831 -11.988
  352    HB2  ALA  48           HB2      ALA  48  42.230  -6.693 -10.226
  353    HB3  ALA  48           HB3      ALA  48  43.637  -6.389 -11.254
  354    H    GLY  49           H        GLY  49  41.307  -9.948 -12.353
  355    HA2  GLY  49           HA2      GLY  49  40.078 -11.649 -10.680
  356    HA3  GLY  49           HA3      GLY  49  39.449 -10.128 -10.049
  357    H    SER  50           H        SER  50  37.569  -9.397 -10.929
  358    HA   SER  50           HA       SER  50  36.952 -10.032 -13.762
  359    HB2  SER  50           HB2      SER  50  34.566 -10.433 -13.119
  360    HB3  SER  50           HB3      SER  50  35.691 -11.726 -12.677
  361    HG   SER  50           HG       SER  50  34.365 -11.336 -10.941
  362    H    TRP  51           H        TRP  51  35.770  -8.567 -14.882
  363    HA   TRP  51           HA       TRP  51  34.990  -5.998 -13.571
  364    HB2  TRP  51           HB2      TRP  51  35.303  -6.954 -16.385
  365    HB3  TRP  51           HB3      TRP  51  33.926  -5.918 -16.080
  366    HD1  TRP  51           HD1      TRP  51  37.540  -5.750 -16.771
  367    HE1  TRP  51           HE1      TRP  51  38.384  -3.332 -16.625
  368    HE3  TRP  51           HE3      TRP  51  33.452  -3.618 -14.540
  369    HZ2  TRP  51           HZ2      TRP  51  37.370  -0.768 -15.732
  370    HZ3  TRP  51           HZ3      TRP  51  33.423  -1.173 -14.064
  371    HH2  TRP  51           HH2      TRP  51  35.353   0.251 -14.661
  372    H    ILE  52           H        ILE  52  32.936  -5.755 -12.817
  373    HA   ILE  52           HA       ILE  52  30.818  -7.711 -13.648
  374    HB   ILE  52           HB       ILE  52  30.919  -5.952 -11.165
  375   HG12  ILE  52          HG12      ILE  52  32.561  -7.688 -10.861
  376   HG13  ILE  52          HG13      ILE  52  31.151  -8.016  -9.867
  377   HG21  ILE  52          HG21      ILE  52  28.904  -8.059 -12.090
  378   HG22  ILE  52          HG22      ILE  52  28.966  -7.358 -10.460
  379   HG23  ILE  52          HG23      ILE  52  28.616  -6.321 -11.837
  380   HD11  ILE  52          HD11      ILE  52  31.735  -9.353 -12.533
  381   HD12  ILE  52          HD12      ILE  52  32.093 -10.056 -10.969
  382   HD13  ILE  52          HD13      ILE  52  30.402  -9.772 -11.437
  383    H    THR  53           H        THR  53  29.184  -6.963 -14.790
  384    HA   THR  53           HA       THR  53  28.658  -4.019 -14.973
  385    HB   THR  53           HB       THR  53  28.904  -5.944 -17.321
  386    HG1  THR  53           HG1      THR  53  30.750  -4.746 -17.798
  387   HG21  THR  53          HG21      THR  53  28.501  -2.920 -17.254
  388   HG22  THR  53          HG22      THR  53  28.707  -3.912 -18.708
  389   HG23  THR  53          HG23      THR  53  27.251  -4.098 -17.717
  390    H    ILE  54           H        ILE  54  26.605  -3.668 -14.417
  391    HA   ILE  54           HA       ILE  54  24.590  -5.832 -14.842
  392    HB   ILE  54           HB       ILE  54  24.729  -5.401 -12.594
  393   HG12  ILE  54          HG12      ILE  54  22.408  -5.607 -13.438
  394   HG13  ILE  54          HG13      ILE  54  22.604  -4.804 -11.892
  395   HG21  ILE  54          HG21      ILE  54  24.625  -2.438 -13.184
  396   HG22  ILE  54          HG22      ILE  54  24.373  -3.131 -11.562
  397   HG23  ILE  54          HG23      ILE  54  25.916  -3.371 -12.391
  398   HD11  ILE  54          HD11      ILE  54  21.856  -3.472 -14.524
  399   HD12  ILE  54          HD12      ILE  54  20.910  -3.609 -13.061
  400   HD13  ILE  54          HD13      ILE  54  22.333  -2.577 -13.065
  401    H    THR  55           H        THR  55  23.049  -5.646 -16.231
  402    HA   THR  55           HA       THR  55  22.666  -3.044 -17.633
  403    HB   THR  55           HB       THR  55  22.093  -4.465 -19.650
  404    HG1  THR  55           HG1      THR  55  22.575  -6.573 -19.623
  405   HG21  THR  55          HG21      THR  55  24.934  -4.689 -18.541
  406   HG22  THR  55          HG22      THR  55  24.461  -5.054 -20.213
  407   HG23  THR  55          HG23      THR  55  24.293  -3.410 -19.598
  408    H    VAL  56           H        VAL  56  20.631  -2.356 -18.042
  409    HA   VAL  56           HA       VAL  56  18.335  -3.952 -16.965
  410    HB   VAL  56           HB       VAL  56  18.787  -0.975 -17.175
  411   HG11  VAL  56          HG11      VAL  56  16.088  -2.388 -16.880
  412   HG12  VAL  56          HG12      VAL  56  16.390  -0.680 -16.490
  413   HG13  VAL  56          HG13      VAL  56  16.563  -1.234 -18.155
  414   HG21  VAL  56          HG21      VAL  56  19.350  -2.368 -15.112
  415   HG22  VAL  56          HG22      VAL  56  18.149  -1.091 -14.830
  416   HG23  VAL  56          HG23      VAL  56  17.629  -2.774 -14.988
  417    H    ASN  57           H        ASN  57  17.256  -4.958 -18.370
  418    HA   ASN  57           HA       ASN  57  16.580  -5.928 -20.284
  419    HB2  ASN  57           HB2      ASN  57  16.232  -3.084 -21.309
  420    HB3  ASN  57           HB3      ASN  57  15.596  -4.535 -22.064
  421   HD21  ASN  57          HD21      ASN  57  13.494  -2.867 -19.100
  422   HD22  ASN  57          HD22      ASN  57  14.924  -2.110 -19.791
  423    H    GLN  58           H        GLN  58  18.368  -3.232 -21.747
  424    HA   GLN  58           HA       GLN  58  20.425  -5.040 -22.872
  425    HB2  GLN  58           HB2      GLN  58  20.068  -4.177 -25.150
  426    HB3  GLN  58           HB3      GLN  58  18.673  -5.064 -24.544
  427    HG2  GLN  58           HG2      GLN  58  17.437  -3.007 -24.121
  428    HG3  GLN  58           HG3      GLN  58  18.848  -2.020 -24.500
  429   HE21  GLN  58          HE21      GLN  58  18.467  -2.414 -28.068
  430   HE22  GLN  58          HE22      GLN  58  19.643  -2.058 -26.810
  431    H    ASP  59           H        ASP  59  19.977  -2.429 -21.041
  432    HA   ASP  59           HA       ASP  59  22.127  -0.736 -22.285
  433    HB2  ASP  59           HB2      ASP  59  19.676  -0.018 -20.635
  434    HB3  ASP  59           HB3      ASP  59  20.994   1.099 -20.950
  435    H    VAL  60           H        VAL  60  23.949  -0.354 -21.096
  436    HA   VAL  60           HA       VAL  60  24.174  -1.514 -18.411
  437    HB   VAL  60           HB       VAL  60  26.084  -1.650 -19.881
  438   HG11  VAL  60          HG11      VAL  60  26.322   1.385 -19.732
  439   HG12  VAL  60          HG12      VAL  60  27.482   0.264 -20.466
  440   HG13  VAL  60          HG13      VAL  60  25.877   0.449 -21.177
  441   HG21  VAL  60          HG21      VAL  60  26.437  -1.556 -17.415
  442   HG22  VAL  60          HG22      VAL  60  27.816  -0.946 -18.353
  443   HG23  VAL  60          HG23      VAL  60  26.737   0.197 -17.546
  444    H    ILE  61           H        ILE  61  24.148  -0.581 -16.491
  445    HA   ILE  61           HA       ILE  61  23.805   2.397 -16.328
  446    HB   ILE  61           HB       ILE  61  22.300   1.905 -14.355
  447   HG12  ILE  61          HG12      ILE  61  21.653  -0.712 -15.717
  448   HG13  ILE  61          HG13      ILE  61  22.797  -0.627 -14.367
  449   HG21  ILE  61          HG21      ILE  61  21.227   1.248 -17.121
  450   HG22  ILE  61          HG22      ILE  61  20.313   1.937 -15.756
  451   HG23  ILE  61          HG23      ILE  61  21.590   2.883 -16.519
  452   HD11  ILE  61          HD11      ILE  61  19.928   0.391 -14.225
  453   HD12  ILE  61          HD12      ILE  61  20.494  -1.162 -13.623
  454   HD13  ILE  61          HD13      ILE  61  21.119   0.333 -12.909
  455    H    PHE  62           H        PHE  62  25.243  -0.487 -14.868
  456    HA   PHE  62           HA       PHE  62  27.038   1.294 -13.425
  457    HB2  PHE  62           HB2      PHE  62  25.377   1.158 -11.734
  458    HB3  PHE  62           HB3      PHE  62  25.134  -0.559 -11.957
  459    HD1  PHE  62           HD1      PHE  62  27.699   1.998 -10.947
  460    HD2  PHE  62           HD2      PHE  62  26.400  -2.097 -10.538
  461    HE1  PHE  62           HE1      PHE  62  29.504   1.580  -9.301
  462    HE2  PHE  62           HE2      PHE  62  28.249  -2.515  -8.917
  463    HZ   PHE  62           HZ       PHE  62  29.774  -0.672  -8.288
  464    H    GLN  63           H        GLN  63  28.980   0.380 -12.921
  465    HA   GLN  63           HA       GLN  63  29.447  -2.441 -13.205
  466    HB2  GLN  63           HB2      GLN  63  31.099  -2.335 -15.030
  467    HB3  GLN  63           HB3      GLN  63  29.474  -1.921 -15.559
  468    HG2  GLN  63           HG2      GLN  63  30.078   0.503 -15.497
  469    HG3  GLN  63           HG3      GLN  63  31.734   0.057 -15.073
  470   HE21  GLN  63          HE21      GLN  63  32.320  -1.418 -18.400
  471   HE22  GLN  63          HE22      GLN  63  32.564  -1.871 -16.724
  472    H    THR  64           H        THR  64  31.415  -3.139 -12.363
  473    HA   THR  64           HA       THR  64  33.375  -1.229 -11.287
  474    HB   THR  64           HB       THR  64  31.533  -1.124  -9.656
  475    HG1  THR  64           HG1      THR  64  32.884  -1.373  -7.906
  476   HG21  THR  64          HG21      THR  64  32.156  -4.041  -9.002
  477   HG22  THR  64          HG22      THR  64  30.972  -2.977  -8.210
  478   HG23  THR  64          HG23      THR  64  30.700  -3.498  -9.872
  479    H    PHE  65           H        PHE  65  35.122  -2.390 -10.059
  480    HA   PHE  65           HA       PHE  65  35.690  -4.997 -11.380
  481    HB2  PHE  65           HB2      PHE  65  37.229  -2.780 -11.342
  482    HB3  PHE  65           HB3      PHE  65  37.816  -3.546  -9.875
  483    HD1  PHE  65           HD1      PHE  65  38.106  -3.380 -13.420
  484    HD2  PHE  65           HD2      PHE  65  38.457  -6.117 -10.115
  485    HE1  PHE  65           HE1      PHE  65  39.432  -4.928 -14.839
  486    HE2  PHE  65           HE2      PHE  65  39.687  -7.698 -11.555
  487    HZ   PHE  65           HZ       PHE  65  40.183  -7.104 -13.939
  488    H    LEU  66           H        LEU  66  35.754  -6.845 -10.247
  489    HA   LEU  66           HA       LEU  66  35.678  -6.792  -7.266
  490    HB2  LEU  66           HB2      LEU  66  34.698  -8.749  -9.329
  491    HB3  LEU  66           HB3      LEU  66  35.137  -9.305  -7.723
  492    HG   LEU  66           HG       LEU  66  32.946  -7.308  -8.307
  493   HD11  LEU  66          HD11      LEU  66  32.860 -10.157  -7.187
  494   HD12  LEU  66          HD12      LEU  66  31.512  -9.146  -7.744
  495   HD13  LEU  66          HD13      LEU  66  32.672  -9.801  -8.901
  496   HD21  LEU  66          HD21      LEU  66  33.865  -6.837  -6.070
  497   HD22  LEU  66          HD22      LEU  66  32.347  -7.737  -5.895
  498   HD23  LEU  66          HD23      LEU  66  33.901  -8.569  -5.687
  499    H    PHE  67           H        PHE  67  37.151  -7.839  -6.087
  500    HA   PHE  67           HA       PHE  67  39.515  -9.060  -7.471
  501    HB2  PHE  67           HB2      PHE  67  39.509  -7.428  -4.918
  502    HB3  PHE  67           HB3      PHE  67  40.913  -8.085  -5.744
  503    HD1  PHE  67           HD1      PHE  67  41.868  -6.940  -7.691
  504    HD2  PHE  67           HD2      PHE  67  38.260  -5.489  -5.829
  505    HE1  PHE  67           HE1      PHE  67  42.080  -4.789  -8.928
  506    HE2  PHE  67           HE2      PHE  67  38.452  -3.369  -7.100
  507    HZ   PHE  67           HZ       PHE  67  40.366  -3.015  -8.651
  508    HA   PRO  68           HA       PRO  68  38.317 -12.538  -4.927
  509    HB2  PRO  68           HB2      PRO  68  40.180 -14.362  -5.682
  510    HB3  PRO  68           HB3      PRO  68  38.937 -13.745  -6.816
  511    HG2  PRO  68           HG2      PRO  68  41.791 -12.726  -6.471
  512    HG3  PRO  68           HG3      PRO  68  40.981 -13.230  -7.999
  513    HD2  PRO  68           HD2      PRO  68  41.108 -10.652  -7.245
  514    HD3  PRO  68           HD3      PRO  68  39.637 -11.325  -8.021
  515    H    LEU  69           H        LEU  69  41.634 -11.254  -4.717
  516    HA   LEU  69           HA       LEU  69  42.318 -12.705  -2.288
  517    HB2  LEU  69           HB2      LEU  69  43.922 -12.084  -4.081
  518    HB3  LEU  69           HB3      LEU  69  43.647 -10.376  -3.738
  519    HG   LEU  69           HG       LEU  69  44.657 -10.654  -1.487
  520   HD11  LEU  69          HD11      LEU  69  45.187 -13.522  -2.397
  521   HD12  LEU  69          HD12      LEU  69  45.909 -12.745  -0.970
  522   HD13  LEU  69          HD13      LEU  69  44.168 -13.024  -1.025
  523   HD21  LEU  69          HD21      LEU  69  46.047 -10.016  -3.417
  524   HD22  LEU  69          HD22      LEU  69  46.963 -10.981  -2.248
  525   HD23  LEU  69          HD23      LEU  69  46.380 -11.729  -3.754
  526    H    LYS  70           H        LYS  70  40.761  -9.699  -2.977
  527    HA   LYS  70           HA       LYS  70  41.251  -8.521  -0.284
  528    HB2  LYS  70           HB2      LYS  70  39.716  -7.378  -2.650
  529    HB3  LYS  70           HB3      LYS  70  40.177  -6.509  -1.194
  530    HG2  LYS  70           HG2      LYS  70  42.074  -7.572  -3.331
  531    HG3  LYS  70           HG3      LYS  70  41.594  -5.898  -3.063
  532    HD2  LYS  70           HD2      LYS  70  42.673  -5.996  -0.774
  533    HD3  LYS  70           HD3      LYS  70  43.205  -7.640  -1.144
  534    HE2  LYS  70           HE2      LYS  70  45.072  -6.264  -1.564
  535    HE3  LYS  70           HE3      LYS  70  44.458  -6.759  -3.141
  536    HZ1  LYS  70           HZ1      LYS  70  43.939  -4.114  -1.852
  537    HZ2  LYS  70           HZ2      LYS  70  45.005  -4.373  -3.055
  538    HZ3  LYS  70           HZ3      LYS  70  43.411  -4.544  -3.343
  539    H    ARG  71           H        ARG  71  39.454  -7.574   0.902
  540    HA   ARG  71           HA       ARG  71  37.177  -9.501   1.092
  541    HB2  ARG  71           HB2      ARG  71  38.318  -7.606   3.177
  542    HB3  ARG  71           HB3      ARG  71  36.981  -8.737   3.419
  543    HG2  ARG  71           HG2      ARG  71  38.529 -10.624   2.751
  544    HG3  ARG  71           HG3      ARG  71  39.872  -9.475   2.798
  545    HD2  ARG  71           HD2      ARG  71  38.011 -10.143   5.115
  546    HD3  ARG  71           HD3      ARG  71  39.636 -10.807   4.882
  547    HE   ARG  71           HE       ARG  71  40.015  -8.052   4.853
  548   HH11  ARG  71          HH11      ARG  71  38.779 -10.322   7.221
  549   HH12  ARG  71          HH12      ARG  71  39.252  -9.322   8.567
  550   HH21  ARG  71          HH21      ARG  71  40.580  -6.814   6.617
  551   HH22  ARG  71          HH22      ARG  71  40.254  -7.390   8.224
  552    H    ASP  72           H        ASP  72  37.406  -6.801  -0.584
  553    HA   ASP  72           HA       ASP  72  35.184  -5.253   0.420
  554    HB2  ASP  72           HB2      ASP  72  35.346  -3.937  -1.511
  555    HB3  ASP  72           HB3      ASP  72  36.982  -4.340  -1.046
  556    H    PHE  73           H        PHE  73  35.208  -8.200  -1.427
  557    HA   PHE  73           HA       PHE  73  33.249  -7.950  -3.281
  558    HB2  PHE  73           HB2      PHE  73  34.452  -9.969  -3.077
  559    HB3  PHE  73           HB3      PHE  73  33.896 -10.278  -1.440
  560    HD1  PHE  73           HD1      PHE  73  31.510 -11.002  -1.006
  561    HD2  PHE  73           HD2      PHE  73  33.177 -10.716  -4.976
  562    HE1  PHE  73           HE1      PHE  73  29.601 -12.297  -1.903
  563    HE2  PHE  73           HE2      PHE  73  31.275 -12.036  -5.871
  564    HZ   PHE  73           HZ       PHE  73  29.458 -12.784  -4.313
  565    H    GLU  74           H        GLU  74  32.436  -8.702   0.156
  566    HA   GLU  74           HA       GLU  74  29.609  -8.787  -0.251
  567    HB2  GLU  74           HB2      GLU  74  31.056  -9.550   1.756
  568    HB3  GLU  74           HB3      GLU  74  30.965  -7.872   2.306
  569    HG2  GLU  74           HG2      GLU  74  28.462  -8.036   2.273
  570    HG3  GLU  74           HG3      GLU  74  28.603  -9.715   1.735
  571    H    LYS  75           H        LYS  75  31.764  -6.119   0.562
  572    HA   LYS  75           HA       LYS  75  29.711  -4.114   1.029
  573    HB2  LYS  75           HB2      LYS  75  32.710  -3.761   0.413
  574    HB3  LYS  75           HB3      LYS  75  31.583  -2.513   0.944
  575    HG2  LYS  75           HG2      LYS  75  32.393  -3.021   2.989
  576    HG3  LYS  75           HG3      LYS  75  31.110  -4.229   2.935
  577    HD2  LYS  75           HD2      LYS  75  33.033  -5.763   1.881
  578    HD3  LYS  75           HD3      LYS  75  34.113  -4.576   2.599
  579    HE2  LYS  75           HE2      LYS  75  31.931  -6.135   4.065
  580    HE3  LYS  75           HE3      LYS  75  33.630  -6.614   4.003
  581    HZ1  LYS  75           HZ1      LYS  75  32.624  -4.092   5.250
  582    HZ2  LYS  75           HZ2      LYS  75  33.166  -5.402   6.052
  583    HZ3  LYS  75           HZ3      LYS  75  34.203  -4.521   5.155
  584    H    THR  76           H        THR  76  31.808  -4.897  -1.737
  585    HA   THR  76           HA       THR  76  30.726  -3.042  -3.608
  586    HB   THR  76           HB       THR  76  32.168  -5.697  -3.938
  587    HG1  THR  76           HG1      THR  76  33.878  -4.448  -3.918
  588   HG21  THR  76          HG21      THR  76  31.383  -3.634  -6.044
  589   HG22  THR  76          HG22      THR  76  32.698  -4.825  -6.261
  590   HG23  THR  76          HG23      THR  76  31.028  -5.373  -6.051
  591    H    VAL  77           H        VAL  77  29.633  -6.390  -2.821
  592    HA   VAL  77           HA       VAL  77  27.505  -6.472  -4.768
  593    HB   VAL  77           HB       VAL  77  27.892  -7.884  -2.110
  594   HG11  VAL  77          HG11      VAL  77  25.601  -8.221  -4.086
  595   HG12  VAL  77          HG12      VAL  77  25.987  -9.349  -2.767
  596   HG13  VAL  77          HG13      VAL  77  25.457  -7.723  -2.382
  597   HG21  VAL  77          HG21      VAL  77  29.287  -8.532  -4.155
  598   HG22  VAL  77          HG22      VAL  77  28.312  -9.824  -3.453
  599   HG23  VAL  77          HG23      VAL  77  27.763  -9.009  -4.935
  600    H    VAL  78           H        VAL  78  27.409  -5.486  -1.278
  601    HA   VAL  78           HA       VAL  78  24.646  -4.736  -1.347
  602    HB   VAL  78           HB       VAL  78  26.914  -3.874   0.485
  603   HG11  VAL  78          HG11      VAL  78  23.914  -3.397   0.809
  604   HG12  VAL  78          HG12      VAL  78  25.126  -3.194   2.092
  605   HG13  VAL  78          HG13      VAL  78  25.176  -2.150   0.673
  606   HG21  VAL  78          HG21      VAL  78  26.266  -6.299   0.532
  607   HG22  VAL  78          HG22      VAL  78  25.888  -5.469   2.042
  608   HG23  VAL  78          HG23      VAL  78  24.594  -5.826   0.877
  609    H    ALA  79           H        ALA  79  27.586  -2.845  -2.026
  610    HA   ALA  79           HA       ALA  79  26.235  -0.316  -2.309
  611    HB1  ALA  79           HB1      ALA  79  28.904  -1.335  -3.375
  612    HB2  ALA  79           HB2      ALA  79  28.418   0.377  -3.218
  613    HB3  ALA  79           HB3      ALA  79  28.627  -0.625  -1.768
  614    H    ALA  80           H        ALA  80  26.924  -2.972  -4.649
  615    HA   ALA  80           HA       ALA  80  26.187  -1.485  -6.993
  616    HB1  ALA  80           HB1      ALA  80  26.000  -4.482  -6.429
  617    HB2  ALA  80           HB2      ALA  80  26.016  -3.699  -8.025
  618    HB3  ALA  80           HB3      ALA  80  27.458  -3.633  -6.986
  619    H    LEU  81           H        LEU  81  24.226  -3.002  -4.476
  620    HA   LEU  81           HA       LEU  81  21.751  -3.206  -5.950
  621    HB2  LEU  81           HB2      LEU  81  22.002  -2.584  -2.983
  622    HB3  LEU  81           HB3      LEU  81  20.662  -3.352  -3.804
  623    HG   LEU  81           HG       LEU  81  23.409  -4.582  -3.448
  624   HD11  LEU  81          HD11      LEU  81  20.854  -5.110  -1.913
  625   HD12  LEU  81          HD12      LEU  81  22.414  -5.954  -1.722
  626   HD13  LEU  81          HD13      LEU  81  22.276  -4.239  -1.301
  627   HD21  LEU  81          HD21      LEU  81  22.161  -5.550  -5.363
  628   HD22  LEU  81          HD22      LEU  81  22.357  -6.707  -4.037
  629   HD23  LEU  81          HD23      LEU  81  20.800  -5.901  -4.265
  630    H    ILE  82           H        ILE  82  23.069  -0.667  -3.825
  631    HA   ILE  82           HA       ILE  82  20.974   1.264  -4.257
  632    HB   ILE  82           HB       ILE  82  23.841   1.661  -3.301
  633   HG12  ILE  82          HG12      ILE  82  21.279   1.298  -1.674
  634   HG13  ILE  82          HG13      ILE  82  22.490   0.043  -1.913
  635   HG21  ILE  82          HG21      ILE  82  21.393   3.472  -3.021
  636   HG22  ILE  82          HG22      ILE  82  22.992   3.776  -2.309
  637   HG23  ILE  82          HG23      ILE  82  22.805   3.791  -4.049
  638   HD11  ILE  82          HD11      ILE  82  22.894   2.630  -0.384
  639   HD12  ILE  82          HD12      ILE  82  22.864   0.977   0.239
  640   HD13  ILE  82          HD13      ILE  82  24.202   1.494  -0.805
  641    H    GLN  83           H        GLN  83  24.247   0.896  -5.717
  642    HA   GLN  83           HA       GLN  83  24.009   3.225  -7.365
  643    HB2  GLN  83           HB2      GLN  83  25.798   0.765  -7.550
  644    HB3  GLN  83           HB3      GLN  83  25.976   2.183  -8.593
  645    HG2  GLN  83           HG2      GLN  83  26.383   3.643  -6.728
  646    HG3  GLN  83           HG3      GLN  83  26.029   2.389  -5.547
  647   HE21  GLN  83          HE21      GLN  83  29.166   0.678  -6.002
  648   HE22  GLN  83          HE22      GLN  83  27.446   0.381  -5.677
  649    H    THR  84           H        THR  84  22.885  -0.073  -7.906
  650    HA   THR  84           HA       THR  84  22.263   0.177 -10.712
  651    HB   THR  84           HB       THR  84  20.992  -1.512  -8.527
  652    HG1  THR  84           HG1      THR  84  23.076  -2.114  -8.902
  653   HG21  THR  84          HG21      THR  84  20.780  -1.792 -11.532
  654   HG22  THR  84          HG22      THR  84  20.194  -2.938 -10.316
  655   HG23  THR  84          HG23      THR  84  19.441  -1.339 -10.462
  656    H    GLU  85           H        GLU  85  20.269   0.903  -7.729
  657    HA   GLU  85           HA       GLU  85  18.097   1.848  -9.468
  658    HB2  GLU  85           HB2      GLU  85  16.901   2.413  -7.536
  659    HB3  GLU  85           HB3      GLU  85  17.587   0.809  -7.306
  660    HG2  GLU  85           HG2      GLU  85  19.164   1.587  -5.711
  661    HG3  GLU  85           HG3      GLU  85  18.923   3.282  -6.140
  662    H    GLU  86           H        GLU  86  20.817   3.438  -7.782
  663    HA   GLU  86           HA       GLU  86  19.939   6.106  -8.032
  664    HB2  GLU  86           HB2      GLU  86  22.685   4.850  -8.064
  665    HB3  GLU  86           HB3      GLU  86  22.482   6.596  -8.168
  666    HG2  GLU  86           HG2      GLU  86  21.064   5.072  -5.979
  667    HG3  GLU  86           HG3      GLU  86  22.783   5.440  -5.825
  668    H    ALA  87           H        ALA  87  21.299   4.045 -10.584
  669    HA   ALA  87           HA       ALA  87  21.555   6.094 -12.593
  670    HB1  ALA  87           HB1      ALA  87  20.916   3.111 -12.873
  671    HB2  ALA  87           HB2      ALA  87  21.516   4.184 -14.149
  672    HB3  ALA  87           HB3      ALA  87  22.549   3.814 -12.751
  673    H    LEU  88           H        LEU  88  18.820   4.026 -11.563
  674    HA   LEU  88           HA       LEU  88  17.090   4.952 -13.757
  675    HB2  LEU  88           HB2      LEU  88  16.459   3.153 -11.407
  676    HB3  LEU  88           HB3      LEU  88  15.508   3.326 -12.879
  677    HG   LEU  88           HG       LEU  88  18.264   2.040 -12.595
  678   HD11  LEU  88          HD11      LEU  88  15.560   0.908 -13.378
  679   HD12  LEU  88          HD12      LEU  88  17.082   0.009 -13.161
  680   HD13  LEU  88          HD13      LEU  88  16.309   0.774 -11.767
  681   HD21  LEU  88          HD21      LEU  88  18.241   3.079 -14.761
  682   HD22  LEU  88          HD22      LEU  88  17.905   1.360 -14.995
  683   HD23  LEU  88          HD23      LEU  88  16.565   2.521 -15.073
  684    H    ASN  89           H        ASN  89  17.625   5.691 -10.412
  685    HA   ASN  89           HA       ASN  89  15.237   7.012  -9.769
  686    HB2  ASN  89           HB2      ASN  89  18.049   6.936  -8.736
  687    HB3  ASN  89           HB3      ASN  89  17.113   8.296  -8.213
  688   HD21  ASN  89          HD21      ASN  89  16.548   4.873  -6.326
  689   HD22  ASN  89          HD22      ASN  89  17.762   5.101  -7.583
  690    H    ARG  90           H        ARG  90  17.950   8.258 -11.649
  691    HA   ARG  90           HA       ARG  90  16.666  10.926 -11.871
  692    HB2  ARG  90           HB2      ARG  90  19.107  10.585 -11.480
  693    HB3  ARG  90           HB3      ARG  90  19.244   9.800 -13.048
  694    HG2  ARG  90           HG2      ARG  90  20.052  12.092 -13.166
  695    HG3  ARG  90           HG3      ARG  90  18.630  11.914 -14.177
  696    HD2  ARG  90           HD2      ARG  90  18.499  14.012 -13.009
  697    HD3  ARG  90           HD3      ARG  90  17.242  12.944 -12.367
  698    HE   ARG  90           HE       ARG  90  19.652  12.722 -10.796
  699   HH11  ARG  90          HH11      ARG  90  17.080  15.045 -11.307
  700   HH12  ARG  90          HH12      ARG  90  17.277  15.751  -9.727
  701   HH21  ARG  90          HH21      ARG  90  19.836  13.646  -8.787
  702   HH22  ARG  90          HH22      ARG  90  18.804  14.970  -8.338
  703    H    ARG  91           H        ARG  91  16.512   7.972 -13.529
  704    HA   ARG  91           HA       ARG  91  15.897   9.077 -16.228
  705    HB2  ARG  91           HB2      ARG  91  15.892   6.256 -15.091
  706    HB3  ARG  91           HB3      ARG  91  15.465   6.639 -16.759
  707    HG2  ARG  91           HG2      ARG  91  17.681   7.398 -17.267
  708    HG3  ARG  91           HG3      ARG  91  18.170   7.343 -15.577
  709    HD2  ARG  91           HD2      ARG  91  18.765   5.158 -15.777
  710    HD3  ARG  91           HD3      ARG  91  17.142   4.718 -16.216
  711    HE   ARG  91           HE       ARG  91  19.429   5.376 -18.027
  712   HH11  ARG  91          HH11      ARG  91  16.074   4.285 -17.957
  713   HH12  ARG  91          HH12      ARG  91  16.131   3.797 -19.623
  714   HH21  ARG  91          HH21      ARG  91  19.397   4.730 -20.126
  715   HH22  ARG  91          HH22      ARG  91  17.959   4.039 -20.812
  716    H    GLN  92           H        GLN  92  14.204   7.171 -13.767
  717    HA   GLN  92           HA       GLN  92  11.553   8.004 -14.904
  718    HB2  GLN  92           HB2      GLN  92  10.863   5.622 -14.828
  719    HB3  GLN  92           HB3      GLN  92  12.046   6.025 -16.069
  720    HG2  GLN  92           HG2      GLN  92  13.839   4.938 -14.864
  721    HG3  GLN  92           HG3      GLN  92  12.845   4.721 -13.425
  722   HE21  GLN  92          HE21      GLN  92  10.998   1.949 -14.819
  723   HE22  GLN  92          HE22      GLN  92  10.880   3.249 -13.641
  724    H    ILE  93           H        ILE  93  13.154   6.497 -12.065
  725    HA   ILE  93           HA       ILE  93  10.666   6.370 -10.587
  726    HB   ILE  93           HB       ILE  93  13.335   6.449  -9.185
  727   HG12  ILE  93          HG12      ILE  93  12.189   4.057 -10.700
  728   HG13  ILE  93          HG13      ILE  93  13.711   4.879 -11.051
  729   HG21  ILE  93          HG21      ILE  93  10.773   4.887  -8.687
  730   HG22  ILE  93          HG22      ILE  93  12.197   4.952  -7.621
  731   HG23  ILE  93          HG23      ILE  93  11.235   6.394  -7.857
  732   HD11  ILE  93          HD11      ILE  93  13.148   3.163  -8.625
  733   HD12  ILE  93          HD12      ILE  93  14.255   2.851  -9.964
  734   HD13  ILE  93          HD13      ILE  93  14.604   4.172  -8.832
  735    H    ASN  94           H        ASN  94  12.812   8.972 -11.253
  736    HA   ASN  94           HA       ASN  94  12.470  10.709  -9.125
  737    HB2  ASN  94           HB2      ASN  94  13.674  10.829 -11.635
  738    HB3  ASN  94           HB3      ASN  94  12.363  11.962 -11.857
  739   HD21  ASN  94          HD21      ASN  94  15.477  12.814  -9.321
  740   HD22  ASN  94          HD22      ASN  94  15.171  11.160  -9.864
  741    H    GLN  95           H        GLN  95  10.214  10.240 -11.877
  742    HA   GLN  95           HA       GLN  95   8.357  12.301 -11.031
  743    HB2  GLN  95           HB2      GLN  95   7.967   9.909 -12.881
  744    HB3  GLN  95           HB3      GLN  95   6.836  11.251 -12.675
  745    HG2  GLN  95           HG2      GLN  95   8.581  12.843 -13.480
  746    HG3  GLN  95           HG3      GLN  95   9.672  11.490 -13.772
  747   HE21  GLN  95          HE21      GLN  95   7.905  10.366 -16.700
  748   HE22  GLN  95          HE22      GLN  95   8.968   9.844 -15.398
  749    H    ALA  96           H        ALA  96   8.513   8.764 -10.549
  750    HA   ALA  96           HA       ALA  96   6.037   8.423  -9.189
  751    HB1  ALA  96           HB1      ALA  96   8.641   6.850  -8.951
  752    HB2  ALA  96           HB2      ALA  96   7.044   6.307  -8.432
  753    HB3  ALA  96           HB3      ALA  96   7.356   6.584 -10.154
  754    H    LEU  97           H        LEU  97   9.334   9.026  -7.834
  755    HA   LEU  97           HA       LEU  97   8.324   9.177  -5.124
  756    HB2  LEU  97           HB2      LEU  97  10.529   9.741  -4.476
  757    HB3  LEU  97           HB3      LEU  97  10.524   8.411  -5.634
  758    HG   LEU  97           HG       LEU  97  11.104  10.248  -7.388
  759   HD11  LEU  97          HD11      LEU  97  12.001  11.648  -4.840
  760   HD12  LEU  97          HD12      LEU  97  12.568  12.054  -6.471
  761   HD13  LEU  97          HD13      LEU  97  10.880  12.286  -6.055
  762   HD21  LEU  97          HD21      LEU  97  12.613   8.435  -6.709
  763   HD22  LEU  97          HD22      LEU  97  13.515   9.939  -6.920
  764   HD23  LEU  97          HD23      LEU  97  13.120   9.367  -5.285
  765    H    LEU  98           H        LEU  98   8.497  11.514  -7.598
  766    HA   LEU  98           HA       LEU  98   8.294  13.826  -5.812
  767    HB2  LEU  98           HB2      LEU  98   9.506  13.995  -7.921
  768    HB3  LEU  98           HB3      LEU  98   8.039  13.602  -8.826
  769    HG   LEU  98           HG       LEU  98   6.993  15.715  -8.012
  770   HD11  LEU  98          HD11      LEU  98   9.734  16.244  -6.783
  771   HD12  LEU  98          HD12      LEU  98   8.440  17.449  -6.976
  772   HD13  LEU  98          HD13      LEU  98   8.198  16.071  -5.902
  773   HD21  LEU  98          HD21      LEU  98   8.199  15.640 -10.158
  774   HD22  LEU  98          HD22      LEU  98   8.358  17.224  -9.384
  775   HD23  LEU  98          HD23      LEU  98   9.713  16.074  -9.331
  776    H    SER  99           H        SER  99   6.039  12.362  -8.222
  777    HA   SER  99           HA       SER  99   3.725  13.341  -6.604
  778    HB2  SER  99           HB2      SER  99   4.203  13.999  -9.541
  779    HB3  SER  99           HB3      SER  99   2.709  14.332  -8.649
  780    HG   SER  99           HG       SER  99   4.023  16.183  -8.699
  781    H    THR 100           H        THR 100   4.860  10.937  -8.917
  782    HA   THR 100           HA       THR 100   2.185  10.439  -9.893
  783    HB   THR 100           HB       THR 100   4.645   8.965 -10.827
  784    HG1  THR 100           HG1      THR 100   4.611  10.743 -12.409
  785   HG21  THR 100          HG21      THR 100   2.077   9.861 -12.235
  786   HG22  THR 100          HG22      THR 100   3.431   8.983 -12.984
  787   HG23  THR 100          HG23      THR 100   2.442   8.193 -11.758
  788    H    GLY 101           H        GLY 101   1.969   9.886  -7.453
  789    HA2  GLY 101           HA2      GLY 101   0.471   8.487  -6.393
  790    HA3  GLY 101           HA3      GLY 101   0.556   7.396  -7.777
  791    H    ASP 102           H        ASP 102   3.602   7.905  -6.388
  792    HA   ASP 102           HA       ASP 102   3.469   5.360  -4.795
  793    HB2  ASP 102           HB2      ASP 102   5.658   6.569  -6.491
  794    HB3  ASP 102           HB3      ASP 102   6.015   5.380  -5.256
  795    H    LEU 103           H        LEU 103   5.258   5.186  -3.130
  796    HA   LEU 103           HA       LEU 103   4.936   7.170  -1.112
  797    HB2  LEU 103           HB2      LEU 103   6.223   5.861   0.229
  798    HB3  LEU 103           HB3      LEU 103   5.603   4.663  -0.883
  799    HG   LEU 103           HG       LEU 103   8.383   5.959  -1.011
  800   HD11  LEU 103          HD11      LEU 103   7.509   3.186  -0.076
  801   HD12  LEU 103          HD12      LEU 103   9.183   3.774  -0.199
  802   HD13  LEU 103          HD13      LEU 103   8.074   4.514   0.963
  803   HD21  LEU 103          HD21      LEU 103   7.686   5.175  -3.240
  804   HD22  LEU 103          HD22      LEU 103   8.929   4.117  -2.579
  805   HD23  LEU 103          HD23      LEU 103   7.233   3.592  -2.565
  806    H    ALA 104           H        ALA 104   6.605   8.464  -0.086
  807    HA   ALA 104           HA       ALA 104   8.752   9.438  -1.848
  808    HB1  ALA 104           HB1      ALA 104   6.349  11.142  -1.018
  809    HB2  ALA 104           HB2      ALA 104   7.765  11.728  -1.918
  810    HB3  ALA 104           HB3      ALA 104   6.683  10.526  -2.652
  811    H    HIS 105           H        HIS 105   8.707   8.225   0.830
  812    HA   HIS 105           HA       HIS 105   8.911  10.350   2.792
  813    HB2  HIS 105           HB2      HIS 105   9.269   7.340   3.013
  814    HB3  HIS 105           HB3      HIS 105   9.161   8.462   4.365
  815    HD2  HIS 105           HD2      HIS 105   6.782   9.045   5.246
  816    HE1  HIS 105           HE1      HIS 105   4.428   7.419   2.083
  817    HE2  HIS 105           HE2      HIS 105   4.352   8.490   4.390
  818    H    ASP 106           H        ASP 106  11.315   8.018   1.461
  819    HA   ASP 106           HA       ASP 106  13.503   9.847   2.254
  820    HB2  ASP 106           HB2      ASP 106  13.017   8.324   4.213
  821    HB3  ASP 106           HB3      ASP 106  13.423   6.950   3.187
  822    H    GLU 107           H        GLU 107  12.452   9.201  -0.289
  823    HA   GLU 107           HA       GLU 107  13.784   6.875  -1.383
  824    HB2  GLU 107           HB2      GLU 107  12.172   8.964  -2.874
  825    HB3  GLU 107           HB3      GLU 107  12.521   7.322  -3.355
  826    HG2  GLU 107           HG2      GLU 107  10.612   8.356  -1.269
  827    HG3  GLU 107           HG3      GLU 107  10.273   7.268  -2.607
  828    H    PHE 108           H        PHE 108  14.482  10.198  -1.486
  829    HA   PHE 108           HA       PHE 108  16.409  10.028  -3.747
  830    HB2  PHE 108           HB2      PHE 108  15.818  12.388  -4.152
  831    HB3  PHE 108           HB3      PHE 108  14.460  11.297  -4.325
  832    HD1  PHE 108           HD1      PHE 108  12.653  11.214  -2.557
  833    HD2  PHE 108           HD2      PHE 108  15.819  14.142  -2.463
  834    HE1  PHE 108           HE1      PHE 108  11.335  12.587  -0.957
  835    HE2  PHE 108           HE2      PHE 108  14.497  15.511  -0.863
  836    HZ   PHE 108           HZ       PHE 108  12.259  14.731  -0.107
  Start of MODEL    5
    1    H1   ALA   1           H1       ALA   1  -2.811  -1.352  -0.109
    2    H2   ALA   1           H2       ALA   1  -3.970  -1.560  -1.245
    3    H3   ALA   1           H3       ALA   1  -3.440  -0.054  -0.886
    4    HA   ALA   1           HA       ALA   1  -2.520  -0.775  -2.987
    5    HB1  ALA   1           HB1      ALA   1  -0.413  -0.576  -0.780
    6    HB2  ALA   1           HB2      ALA   1  -0.145  -0.306  -2.515
    7    HB3  ALA   1           HB3      ALA   1  -1.191   0.794  -1.606
    8    H    VAL   2           H        VAL   2  -0.961  -2.170  -4.117
    9    HA   VAL   2           HA       VAL   2  -0.557  -4.886  -2.929
   10    HB   VAL   2           HB       VAL   2  -1.581  -4.340  -5.745
   11   HG11  VAL   2          HG11      VAL   2  -0.962  -6.967  -4.313
   12   HG12  VAL   2          HG12      VAL   2  -1.769  -6.819  -5.889
   13   HG13  VAL   2          HG13      VAL   2  -0.096  -6.302  -5.720
   14   HG21  VAL   2          HG21      VAL   2  -3.413  -4.100  -4.134
   15   HG22  VAL   2          HG22      VAL   2  -3.591  -5.613  -5.017
   16   HG23  VAL   2          HG23      VAL   2  -2.963  -5.637  -3.355
   17    H    GLU   3           H        GLU   3   1.427  -5.690  -3.229
   18    HA   GLU   3           HA       GLU   3   3.126  -4.857  -5.494
   19    HB2  GLU   3           HB2      GLU   3   3.633  -3.236  -3.674
   20    HB3  GLU   3           HB3      GLU   3   4.025  -4.573  -2.591
   21    HG2  GLU   3           HG2      GLU   3   5.872  -5.254  -4.128
   22    HG3  GLU   3           HG3      GLU   3   5.453  -3.924  -5.210
   23    H    VAL   4           H        VAL   4   3.986  -6.685  -6.350
   24    HA   VAL   4           HA       VAL   4   4.689  -9.002  -4.627
   25    HB   VAL   4           HB       VAL   4   2.980  -9.251  -7.138
   26   HG11  VAL   4          HG11      VAL   4   3.847 -11.333  -5.073
   27   HG12  VAL   4          HG12      VAL   4   2.720 -11.620  -6.414
   28   HG13  VAL   4          HG13      VAL   4   4.399 -11.246  -6.764
   29   HG21  VAL   4          HG21      VAL   4   1.546  -8.368  -5.367
   30   HG22  VAL   4          HG22      VAL   4   1.168 -10.063  -5.647
   31   HG23  VAL   4          HG23      VAL   4   2.141  -9.603  -4.232
   32    H    GLU   5           H        GLU   5   6.344 -10.295  -5.511
   33    HA   GLU   5           HA       GLU   5   8.160  -8.975  -7.364
   34    HB2  GLU   5           HB2      GLU   5   8.321 -11.644  -5.918
   35    HB3  GLU   5           HB3      GLU   5   9.629 -10.910  -6.860
   36    HG2  GLU   5           HG2      GLU   5   9.657  -8.958  -5.355
   37    HG3  GLU   5           HG3      GLU   5   8.357  -9.660  -4.389
   38    H    VAL   6           H        VAL   6   6.121  -9.185  -8.908
   39    HA   VAL   6           HA       VAL   6   5.848 -11.660 -10.397
   40    HB   VAL   6           HB       VAL   6   4.688  -8.889 -10.672
   41   HG11  VAL   6          HG11      VAL   6   4.238 -11.233 -12.584
   42   HG12  VAL   6          HG12      VAL   6   3.233  -9.771 -12.497
   43   HG13  VAL   6          HG13      VAL   6   4.913  -9.642 -13.013
   44   HG21  VAL   6          HG21      VAL   6   3.816 -10.438  -8.950
   45   HG22  VAL   6          HG22      VAL   6   2.610 -10.070 -10.189
   46   HG23  VAL   6          HG23      VAL   6   3.456 -11.635 -10.206
   47    HA   PRO   7           HA       PRO   7   8.411  -9.818 -13.874
   48    HB2  PRO   7           HB2      PRO   7   9.509  -7.370 -13.938
   49    HB3  PRO   7           HB3      PRO   7   7.758  -7.592 -14.191
   50    HG2  PRO   7           HG2      PRO   7   9.160  -6.894 -11.587
   51    HG3  PRO   7           HG3      PRO   7   7.786  -6.025 -12.353
   52    HD2  PRO   7           HD2      PRO   7   7.413  -7.898 -10.404
   53    HD3  PRO   7           HD3      PRO   7   6.268  -7.725 -11.772
   54    H    GLY   8           H        GLY   8  10.685  -9.529 -14.437
   55    HA2  GLY   8           HA2      GLY   8  12.934  -8.930 -13.184
   56    HA3  GLY   8           HA3      GLY   8  12.577 -10.407 -12.297
   57    H    LEU   9           H        LEU   9  14.802  -9.664 -14.200
   58    HA   LEU   9           HA       LEU   9  14.818 -12.238 -15.600
   59    HB2  LEU   9           HB2      LEU   9  15.454 -11.345 -17.790
   60    HB3  LEU   9           HB3      LEU   9  13.823 -10.990 -17.282
   61    HG   LEU   9           HG       LEU   9  14.555  -8.641 -16.712
   62   HD11  LEU   9          HD11      LEU   9  17.022  -9.423 -18.317
   63   HD12  LEU   9          HD12      LEU   9  16.545  -7.757 -17.912
   64   HD13  LEU   9          HD13      LEU   9  16.988  -8.886 -16.629
   65   HD21  LEU   9          HD21      LEU   9  13.314  -9.209 -18.754
   66   HD22  LEU   9          HD22      LEU   9  14.476  -7.909 -19.063
   67   HD23  LEU   9          HD23      LEU   9  14.839  -9.567 -19.593
   68    H    LEU  10           H        LEU  10  16.207 -11.447 -13.298
   69    HA   LEU  10           HA       LEU  10  18.996 -10.924 -13.843
   70    HB2  LEU  10           HB2      LEU  10  17.533 -12.268 -11.549
   71    HB3  LEU  10           HB3      LEU  10  19.271 -12.258 -11.625
   72    HG   LEU  10           HG       LEU  10  17.844  -9.618 -11.884
   73   HD11  LEU  10          HD11      LEU  10  18.341 -11.070  -9.250
   74   HD12  LEU  10          HD12      LEU  10  17.866  -9.364  -9.415
   75   HD13  LEU  10          HD13      LEU  10  16.758 -10.642  -9.935
   76   HD21  LEU  10          HD21      LEU  10  20.341  -9.776 -12.092
   77   HD22  LEU  10          HD22      LEU  10  19.833  -8.779 -10.716
   78   HD23  LEU  10          HD23      LEU  10  20.404 -10.431 -10.430
   79    H    THR  11           H        THR  11  20.268 -12.122 -15.024
   80    HA   THR  11           HA       THR  11  20.063 -15.089 -14.873
   81    HB   THR  11           HB       THR  11  20.773 -13.372 -17.265
   82    HG1  THR  11           HG1      THR  11  18.961 -14.375 -18.125
   83   HG21  THR  11          HG21      THR  11  20.986 -16.388 -16.882
   84   HG22  THR  11          HG22      THR  11  20.943 -15.594 -18.470
   85   HG23  THR  11          HG23      THR  11  22.273 -15.250 -17.363
   86    H    ASP  12           H        ASP  12  21.843 -16.232 -14.530
   87    HA   ASP  12           HA       ASP  12  24.267 -14.988 -13.559
   88    HB2  ASP  12           HB2      ASP  12  24.949 -17.259 -13.078
   89    HB3  ASP  12           HB3      ASP  12  23.331 -16.954 -12.480
   90    H    HIS  13           H        HIS  13  24.348 -13.846 -15.803
   91    HA   HIS  13           HA       HIS  13  25.858 -15.357 -17.858
   92    HB2  HIS  13           HB2      HIS  13  24.906 -12.488 -17.637
   93    HB3  HIS  13           HB3      HIS  13  26.032 -13.006 -18.889
   94    HD2  HIS  13           HD2      HIS  13  24.787 -15.631 -19.973
   95    HE1  HIS  13           HE1      HIS  13  21.240 -13.358 -20.633
   96    HE2  HIS  13           HE2      HIS  13  22.503 -15.475 -21.274
   97    H    THR  14           H        THR  14  27.015 -15.709 -15.472
   98    HA   THR  14           HA       THR  14  29.470 -14.101 -15.574
   99    HB   THR  14           HB       THR  14  29.531 -14.009 -13.107
  100    HG1  THR  14           HG1      THR  14  27.573 -14.421 -12.007
  101   HG21  THR  14          HG21      THR  14  26.926 -12.793 -14.090
  102   HG22  THR  14          HG22      THR  14  27.936 -12.261 -12.731
  103   HG23  THR  14          HG23      THR  14  28.529 -12.086 -14.391
  104    H    VAL  15           H        VAL  15  31.385 -15.191 -15.386
  105    HA   VAL  15           HA       VAL  15  31.290 -18.107 -14.738
  106    HB   VAL  15           HB       VAL  15  32.614 -18.600 -16.737
  107   HG11  VAL  15          HG11      VAL  15  29.994 -17.223 -17.401
  108   HG12  VAL  15          HG12      VAL  15  30.789 -18.531 -18.301
  109   HG13  VAL  15          HG13      VAL  15  30.152 -18.836 -16.672
  110   HG21  VAL  15          HG21      VAL  15  33.607 -16.374 -17.224
  111   HG22  VAL  15          HG22      VAL  15  32.748 -17.044 -18.616
  112   HG23  VAL  15          HG23      VAL  15  32.000 -15.754 -17.654
  113    H    SER  16           H        SER  16  32.233 -16.149 -13.033
  114    HA   SER  16           HA       SER  16  35.180 -16.751 -12.855
  115    HB2  SER  16           HB2      SER  16  35.188 -14.490 -13.370
  116    HB3  SER  16           HB3      SER  16  33.656 -14.188 -12.540
  117    HG   SER  16           HG       SER  16  36.223 -14.200 -11.511
  118    H    SER  17           H        SER  17  36.053 -17.149 -10.766
  119    HA   SER  17           HA       SER  17  34.442 -18.461  -8.865
  120    HB2  SER  17           HB2      SER  17  37.097 -17.058  -8.374
  121    HB3  SER  17           HB3      SER  17  36.380 -18.343  -7.383
  122    HG   SER  17           HG       SER  17  37.932 -19.178  -8.871
  123    H    ILE  18           H        ILE  18  35.334 -15.020  -9.009
  124    HA   ILE  18           HA       ILE  18  33.639 -14.413  -6.623
  125    HB   ILE  18           HB       ILE  18  34.407 -11.984  -7.330
  126   HG12  ILE  18          HG12      ILE  18  36.816 -13.594  -8.277
  127   HG13  ILE  18          HG13      ILE  18  35.598 -12.889  -9.355
  128   HG21  ILE  18          HG21      ILE  18  36.216 -13.930  -5.845
  129   HG22  ILE  18          HG22      ILE  18  36.191 -12.157  -5.668
  130   HG23  ILE  18          HG23      ILE  18  34.798 -13.101  -5.162
  131   HD11  ILE  18          HD11      ILE  18  37.153 -11.158  -7.469
  132   HD12  ILE  18          HD12      ILE  18  37.709 -11.598  -9.106
  133   HD13  ILE  18          HD13      ILE  18  36.204 -10.726  -8.914
  134    H    GLY  19           H        GLY  19  33.689 -13.783 -10.188
  135    HA2  GLY  19           HA2      GLY  19  31.404 -12.038 -10.061
  136    HA3  GLY  19           HA3      GLY  19  32.013 -12.838 -11.511
  137    H    HIS  20           H        HIS  20  31.556 -15.581 -10.283
  138    HA   HIS  20           HA       HIS  20  28.733 -15.954 -10.862
  139    HB2  HIS  20           HB2      HIS  20  30.460 -17.670 -11.292
  140    HB3  HIS  20           HB3      HIS  20  30.738 -17.819  -9.555
  141    HD2  HIS  20           HD2      HIS  20  27.070 -17.506 -10.492
  142    HE1  HIS  20           HE1      HIS  20  27.767 -21.682  -9.982
  143    HE2  HIS  20           HE2      HIS  20  25.978 -19.901 -10.316
  144    H    ASP  21           H        ASP  21  30.679 -15.605  -7.879
  145    HA   ASP  21           HA       ASP  21  28.449 -16.149  -6.092
  146    HB2  ASP  21           HB2      ASP  21  31.225 -14.978  -5.708
  147    HB3  ASP  21           HB3      ASP  21  30.023 -15.008  -4.424
  148    H    PHE  22           H        PHE  22  29.838 -13.147  -7.548
  149    HA   PHE  22           HA       PHE  22  28.246 -11.267  -6.147
  150    HB2  PHE  22           HB2      PHE  22  30.033 -10.698  -7.806
  151    HB3  PHE  22           HB3      PHE  22  28.987 -11.208  -9.104
  152    HD1  PHE  22           HD1      PHE  22  26.868  -9.981  -9.587
  153    HD2  PHE  22           HD2      PHE  22  29.685  -8.476  -6.711
  154    HE1  PHE  22           HE1      PHE  22  25.805  -7.742  -9.731
  155    HE2  PHE  22           HE2      PHE  22  28.680  -6.219  -6.911
  156    HZ   PHE  22           HZ       PHE  22  26.736  -5.856  -8.425
  157    H    TYR  23           H        TYR  23  27.346 -13.219  -9.027
  158    HA   TYR  23           HA       TYR  23  24.761 -12.124  -9.419
  159    HB2  TYR  23           HB2      TYR  23  25.726 -13.668 -11.024
  160    HB3  TYR  23           HB3      TYR  23  25.753 -14.970  -9.828
  161    HD1  TYR  23           HD1      TYR  23  23.835 -16.315  -9.377
  162    HD2  TYR  23           HD2      TYR  23  23.506 -12.801 -11.842
  163    HE1  TYR  23           HE1      TYR  23  21.468 -16.896  -9.878
  164    HE2  TYR  23           HE2      TYR  23  21.123 -13.346 -12.297
  165    HH   TYR  23           HH       TYR  23  19.527 -16.266 -10.962
  166    H    ARG  24           H        ARG  24  25.662 -14.920  -7.375
  167    HA   ARG  24           HA       ARG  24  22.984 -15.397  -6.403
  168    HB2  ARG  24           HB2      ARG  24  25.633 -16.248  -5.135
  169    HB3  ARG  24           HB3      ARG  24  24.036 -16.939  -4.836
  170    HG2  ARG  24           HG2      ARG  24  23.980 -17.514  -7.359
  171    HG3  ARG  24           HG3      ARG  24  25.682 -17.076  -7.396
  172    HD2  ARG  24           HD2      ARG  24  25.617 -19.428  -7.160
  173    HD3  ARG  24           HD3      ARG  24  26.130 -18.769  -5.596
  174    HE   ARG  24           HE       ARG  24  23.267 -19.114  -5.648
  175   HH11  ARG  24          HH11      ARG  24  26.149 -21.098  -5.434
  176   HH12  ARG  24          HH12      ARG  24  25.315 -22.383  -4.604
  177   HH21  ARG  24          HH21      ARG  24  22.267 -20.781  -4.569
  178   HH22  ARG  24          HH22      ARG  24  23.169 -22.200  -4.132
  179    H    ALA  25           H        ALA  25  25.757 -13.697  -4.967
  180    HA   ALA  25           HA       ALA  25  24.441 -13.013  -2.507
  181    HB1  ALA  25           HB1      ALA  25  26.766 -11.639  -3.926
  182    HB2  ALA  25           HB2      ALA  25  26.359 -11.529  -2.195
  183    HB3  ALA  25           HB3      ALA  25  26.916 -13.069  -2.873
  184    H    PHE  26           H        PHE  26  24.781 -11.152  -5.597
  185    HA   PHE  26           HA       PHE  26  23.456  -8.814  -4.655
  186    HB2  PHE  26           HB2      PHE  26  24.809  -8.863  -6.681
  187    HB3  PHE  26           HB3      PHE  26  23.736 -10.008  -7.445
  188    HD1  PHE  26           HD1      PHE  26  21.230  -9.215  -7.837
  189    HD2  PHE  26           HD2      PHE  26  24.542  -6.550  -7.098
  190    HE1  PHE  26           HE1      PHE  26  19.944  -7.354  -8.807
  191    HE2  PHE  26           HE2      PHE  26  23.265  -4.695  -8.163
  192    HZ   PHE  26           HZ       PHE  26  20.952  -5.105  -9.007
  193    H    SER  27           H        SER  27  22.118 -11.680  -6.416
  194    HA   SER  27           HA       SER  27  19.445 -10.677  -6.427
  195    HB2  SER  27           HB2      SER  27  18.753 -12.839  -7.163
  196    HB3  SER  27           HB3      SER  27  20.270 -12.406  -7.975
  197    HG   SER  27           HG       SER  27  20.255 -14.588  -7.187
  198    H    ASP  28           H        ASP  28  21.167 -12.584  -3.976
  199    HA   ASP  28           HA       ASP  28  18.941 -13.250  -2.331
  200    HB2  ASP  28           HB2      ASP  28  21.914 -12.907  -1.905
  201    HB3  ASP  28           HB3      ASP  28  20.872 -13.070  -0.507
  202    H    LYS  29           H        LYS  29  20.775 -10.187  -2.517
  203    HA   LYS  29           HA       LYS  29  18.862  -9.057  -0.503
  204    HB2  LYS  29           HB2      LYS  29  20.771  -7.182  -0.444
  205    HB3  LYS  29           HB3      LYS  29  20.600  -8.488   0.677
  206    HG2  LYS  29           HG2      LYS  29  22.383  -8.737  -1.767
  207    HG3  LYS  29           HG3      LYS  29  22.925  -7.897  -0.327
  208    HD2  LYS  29           HD2      LYS  29  22.100 -10.825  -0.379
  209    HD3  LYS  29           HD3      LYS  29  23.747 -10.203  -0.394
  210    HE2  LYS  29           HE2      LYS  29  23.360  -9.097   1.809
  211    HE3  LYS  29           HE3      LYS  29  21.723  -9.759   1.853
  212    HZ1  LYS  29           HZ1      LYS  29  24.214 -11.402   1.817
  213    HZ2  LYS  29           HZ2      LYS  29  23.265 -11.147   3.118
  214    HZ3  LYS  29           HZ3      LYS  29  22.690 -12.009   1.861
  215    H    TRP  30           H        TRP  30  19.130  -9.081  -3.735
  216    HA   TRP  30           HA       TRP  30  18.654  -6.401  -4.471
  217    HB2  TRP  30           HB2      TRP  30  19.201  -8.140  -6.076
  218    HB3  TRP  30           HB3      TRP  30  17.674  -8.967  -5.753
  219    HD1  TRP  30           HD1      TRP  30  15.950  -8.520  -7.549
  220    HE1  TRP  30           HE1      TRP  30  15.316  -6.600  -9.125
  221    HE3  TRP  30           HE3      TRP  30  19.533  -5.126  -6.174
  222    HZ2  TRP  30           HZ2      TRP  30  16.202  -3.921  -9.669
  223    HZ3  TRP  30           HZ3      TRP  30  19.559  -2.866  -7.168
  224    HH2  TRP  30           HH2      TRP  30  17.929  -2.238  -8.927
  225    H    GLU  31           H        GLU  31  17.010  -5.052  -4.496
  226    HA   GLU  31           HA       GLU  31  14.219  -5.819  -4.317
  227    HB2  GLU  31           HB2      GLU  31  14.913  -5.825  -1.907
  228    HB3  GLU  31           HB3      GLU  31  15.468  -4.156  -2.073
  229    HG2  GLU  31           HG2      GLU  31  13.160  -3.432  -2.592
  230    HG3  GLU  31           HG3      GLU  31  12.607  -5.109  -2.538
  231    H    SER  32           H        SER  32  12.953  -4.196  -5.316
  232    HA   SER  32           HA       SER  32  14.122  -1.542  -5.840
  233    HB2  SER  32           HB2      SER  32  13.950  -1.758  -8.265
  234    HB3  SER  32           HB3      SER  32  15.162  -2.821  -7.563
  235    HG   SER  32           HG       SER  32  13.647  -4.557  -7.765
  236    H    ASP  33           H        ASP  33  12.729   0.022  -6.640
  237    HA   ASP  33           HA       ASP  33   9.865  -0.428  -6.147
  238    HB2  ASP  33           HB2      ASP  33  11.117   1.554  -5.320
  239    HB3  ASP  33           HB3      ASP  33  11.381   2.067  -6.988
  240    H    TYR  34           H        TYR  34  11.936  -0.084  -8.962
  241    HA   TYR  34           HA       TYR  34   9.725   0.354 -10.843
  242    HB2  TYR  34           HB2      TYR  34  11.312   0.763 -12.454
  243    HB3  TYR  34           HB3      TYR  34  12.047   1.418 -11.016
  244    HD1  TYR  34           HD1      TYR  34  13.777  -0.133  -9.767
  245    HD2  TYR  34           HD2      TYR  34  12.573  -0.654 -13.882
  246    HE1  TYR  34           HE1      TYR  34  15.701  -1.641 -10.139
  247    HE2  TYR  34           HE2      TYR  34  14.507  -2.138 -14.254
  248    HH   TYR  34           HH       TYR  34  16.872  -2.914 -11.681
  249    H    THR  35           H        THR  35  10.385  -1.153 -13.022
  250    HA   THR  35           HA       THR  35   9.072  -3.615 -12.450
  251    HB   THR  35           HB       THR  35  10.444  -3.115 -15.073
  252    HG1  THR  35           HG1      THR  35   8.806  -1.640 -15.628
  253   HG21  THR  35          HG21      THR  35   7.595  -3.947 -14.315
  254   HG22  THR  35          HG22      THR  35   8.238  -3.842 -15.970
  255   HG23  THR  35          HG23      THR  35   8.880  -5.048 -14.855
  256    H    GLY  36           H        GLY  36  12.366  -3.017 -11.986
  257    HA2  GLY  36           HA2      GLY  36  14.083  -4.426 -11.464
  258    HA3  GLY  36           HA3      GLY  36  12.839  -5.667 -11.226
  259    H    ASN  37           H        ASN  37  13.382  -4.307 -14.402
  260    HA   ASN  37           HA       ASN  37  14.098  -6.973 -15.385
  261    HB2  ASN  37           HB2      ASN  37  13.631  -4.404 -16.920
  262    HB3  ASN  37           HB3      ASN  37  13.824  -6.017 -17.609
  263   HD21  ASN  37          HD21      ASN  37  10.539  -7.086 -16.415
  264   HD22  ASN  37          HD22      ASN  37  12.182  -7.701 -16.328
  265    H    LEU  38           H        LEU  38  16.113  -6.840 -14.104
  266    HA   LEU  38           HA       LEU  38  18.350  -5.743 -15.748
  267    HB2  LEU  38           HB2      LEU  38  19.581  -5.139 -13.930
  268    HB3  LEU  38           HB3      LEU  38  17.966  -4.572 -13.541
  269    HG   LEU  38           HG       LEU  38  19.358  -7.045 -12.389
  270   HD11  LEU  38          HD11      LEU  38  18.678  -4.320 -11.255
  271   HD12  LEU  38          HD12      LEU  38  19.164  -5.699 -10.262
  272   HD13  LEU  38          HD13      LEU  38  20.291  -5.058 -11.455
  273   HD21  LEU  38          HD21      LEU  38  16.923  -7.454 -12.398
  274   HD22  LEU  38          HD22      LEU  38  17.510  -7.144 -10.769
  275   HD23  LEU  38          HD23      LEU  38  16.652  -5.857 -11.645
  276    H    THR  39           H        THR  39  20.316  -6.821 -15.888
  277    HA   THR  39           HA       THR  39  20.506  -9.562 -14.759
  278    HB   THR  39           HB       THR  39  19.627  -9.721 -17.095
  279    HG1  THR  39           HG1      THR  39  21.376 -11.312 -17.537
  280   HG21  THR  39          HG21      THR  39  22.447  -8.909 -17.898
  281   HG22  THR  39          HG22      THR  39  21.157  -9.516 -18.956
  282   HG23  THR  39          HG23      THR  39  20.974  -7.942 -18.168
  283    H    ILE  40           H        ILE  40  22.751 -10.438 -14.991
  284    HA   ILE  40           HA       ILE  40  24.726  -8.271 -14.310
  285    HB   ILE  40           HB       ILE  40  24.245 -10.939 -12.958
  286   HG12  ILE  40          HG12      ILE  40  24.035  -8.168 -11.693
  287   HG13  ILE  40          HG13      ILE  40  22.642  -8.966 -12.412
  288   HG21  ILE  40          HG21      ILE  40  26.292  -8.836 -12.106
  289   HG22  ILE  40          HG22      ILE  40  26.065 -10.492 -11.482
  290   HG23  ILE  40          HG23      ILE  40  26.715 -10.256 -13.076
  291   HD11  ILE  40          HD11      ILE  40  24.272 -10.091 -10.118
  292   HD12  ILE  40          HD12      ILE  40  22.650  -9.375 -10.045
  293   HD13  ILE  40          HD13      ILE  40  22.886 -10.889 -10.918
  294    H    ASN  41           H        ASN  41  26.556  -8.375 -15.393
  295    HA   ASN  41           HA       ASN  41  27.277 -10.840 -16.916
  296    HB2  ASN  41           HB2      ASN  41  27.763  -7.974 -17.812
  297    HB3  ASN  41           HB3      ASN  41  27.865  -9.443 -18.769
  298   HD21  ASN  41          HD21      ASN  41  24.255  -7.527 -18.246
  299   HD22  ASN  41          HD22      ASN  41  25.643  -7.130 -17.237
  300    H    GLU  42           H        GLU  42  29.547 -11.410 -16.786
  301    HA   GLU  42           HA       GLU  42  31.308  -9.313 -15.663
  302    HB2  GLU  42           HB2      GLU  42  32.349 -10.723 -14.087
  303    HB3  GLU  42           HB3      GLU  42  30.633 -10.983 -13.902
  304    HG2  GLU  42           HG2      GLU  42  31.356 -13.138 -13.840
  305    HG3  GLU  42           HG3      GLU  42  31.067 -12.955 -15.578
  306    H    ARG  43           H        ARG  43  33.516  -9.401 -16.143
  307    HA   ARG  43           HA       ARG  43  34.262 -11.163 -18.434
  308    HB2  ARG  43           HB2      ARG  43  34.021  -8.812 -19.185
  309    HB3  ARG  43           HB3      ARG  43  35.267  -8.333 -18.032
  310    HG2  ARG  43           HG2      ARG  43  36.902  -9.835 -19.144
  311    HG3  ARG  43           HG3      ARG  43  35.653 -10.337 -20.300
  312    HD2  ARG  43           HD2      ARG  43  35.454  -8.017 -21.109
  313    HD3  ARG  43           HD3      ARG  43  36.673  -7.489 -19.926
  314    HE   ARG  43           HE       ARG  43  37.838  -9.574 -21.433
  315   HH11  ARG  43          HH11      ARG  43  36.750  -6.303 -22.076
  316   HH12  ARG  43          HH12      ARG  43  37.877  -6.087 -23.387
  317   HH21  ARG  43          HH21      ARG  43  39.244  -9.236 -23.119
  318   HH22  ARG  43          HH22      ARG  43  39.255  -7.713 -23.956
  319    HA   PRO  44           HA       PRO  44  37.115 -12.335 -15.194
  320    HB2  PRO  44           HB2      PRO  44  37.907 -14.737 -16.189
  321    HB3  PRO  44           HB3      PRO  44  36.267 -14.468 -15.537
  322    HG2  PRO  44           HG2      PRO  44  37.165 -14.431 -18.433
  323    HG3  PRO  44           HG3      PRO  44  35.744 -15.266 -17.723
  324    HD2  PRO  44           HD2      PRO  44  35.574 -12.815 -18.935
  325    HD3  PRO  44           HD3      PRO  44  34.520 -13.288 -17.572
  326    H    SER  45           H        SER  45  39.074 -11.462 -14.956
  327    HA   SER  45           HA       SER  45  40.992 -11.304 -17.242
  328    HB2  SER  45           HB2      SER  45  39.966  -8.971 -15.575
  329    HB3  SER  45           HB3      SER  45  41.315  -8.902 -16.729
  330    HG   SER  45           HG       SER  45  39.372  -8.208 -17.711
  331    H    ALA  46           H        ALA  46  42.503 -12.623 -16.348
  332    HA   ALA  46           HA       ALA  46  43.013 -12.911 -13.619
  333    HB1  ALA  46           HB1      ALA  46  44.803 -13.594 -15.996
  334    HB2  ALA  46           HB2      ALA  46  44.910 -14.309 -14.374
  335    HB3  ALA  46           HB3      ALA  46  43.472 -14.597 -15.368
  336    H    ARG  47           H        ARG  47  44.165 -10.342 -15.532
  337    HA   ARG  47           HA       ARG  47  46.462  -9.441 -14.125
  338    HB2  ARG  47           HB2      ARG  47  45.849  -7.225 -14.895
  339    HB3  ARG  47           HB3      ARG  47  45.534  -8.399 -16.170
  340    HG2  ARG  47           HG2      ARG  47  43.091  -8.411 -15.419
  341    HG3  ARG  47           HG3      ARG  47  43.465  -7.058 -14.356
  342    HD2  ARG  47           HD2      ARG  47  43.886  -7.042 -17.373
  343    HD3  ARG  47           HD3      ARG  47  42.441  -6.428 -16.550
  344    HE   ARG  47           HE       ARG  47  44.712  -5.160 -15.393
  345   HH11  ARG  47          HH11      ARG  47  42.962  -5.087 -18.434
  346   HH12  ARG  47          HH12      ARG  47  43.393  -3.430 -18.747
  347   HH21  ARG  47          HH21      ARG  47  45.235  -3.048 -15.865
  348   HH22  ARG  47          HH22      ARG  47  44.651  -2.313 -17.328
  349    H    ALA  48           H        ALA  48  43.108  -9.511 -13.027
  350    HA   ALA  48           HA       ALA  48  43.925  -8.640 -10.330
  351    HB1  ALA  48           HB1      ALA  48  42.142  -6.960 -12.141
  352    HB2  ALA  48           HB2      ALA  48  42.265  -6.730 -10.388
  353    HB3  ALA  48           HB3      ALA  48  43.688  -6.492 -11.413
  354    H    GLY  49           H        GLY  49  41.326 -10.026 -12.385
  355    HA2  GLY  49           HA2      GLY  49  40.073 -11.700 -10.708
  356    HA3  GLY  49           HA3      GLY  49  39.464 -10.174 -10.074
  357    H    SER  50           H        SER  50  37.597  -9.409 -10.955
  358    HA   SER  50           HA       SER  50  36.963 -10.037 -13.784
  359    HB2  SER  50           HB2      SER  50  34.576 -10.424 -13.132
  360    HB3  SER  50           HB3      SER  50  35.692 -11.728 -12.702
  361    HG   SER  50           HG       SER  50  34.372 -11.324 -10.955
  362    H    TRP  51           H        TRP  51  35.787  -8.555 -14.897
  363    HA   TRP  51           HA       TRP  51  35.010  -5.997 -13.563
  364    HB2  TRP  51           HB2      TRP  51  35.296  -6.934 -16.384
  365    HB3  TRP  51           HB3      TRP  51  33.923  -5.898 -16.059
  366    HD1  TRP  51           HD1      TRP  51  37.539  -5.741 -16.765
  367    HE1  TRP  51           HE1      TRP  51  38.396  -3.330 -16.602
  368    HE3  TRP  51           HE3      TRP  51  33.463  -3.601 -14.518
  369    HZ2  TRP  51           HZ2      TRP  51  37.392  -0.763 -15.699
  370    HZ3  TRP  51           HZ3      TRP  51  33.447  -1.161 -14.024
  371    HH2  TRP  51           HH2      TRP  51  35.383   0.259 -14.615
  372    H    ILE  52           H        ILE  52  32.954  -5.732 -12.820
  373    HA   ILE  52           HA       ILE  52  30.830  -7.684 -13.644
  374    HB   ILE  52           HB       ILE  52  30.931  -5.939 -11.151
  375   HG12  ILE  52          HG12      ILE  52  32.594  -7.667 -10.869
  376   HG13  ILE  52          HG13      ILE  52  31.195  -7.998  -9.857
  377   HG21  ILE  52          HG21      ILE  52  28.939  -8.067 -12.076
  378   HG22  ILE  52          HG22      ILE  52  28.995  -7.366 -10.445
  379   HG23  ILE  52          HG23      ILE  52  28.632  -6.332 -11.821
  380   HD11  ILE  52          HD11      ILE  52  31.706  -9.338 -12.539
  381   HD12  ILE  52          HD12      ILE  52  32.162 -10.025 -10.989
  382   HD13  ILE  52          HD13      ILE  52  30.443  -9.773 -11.374
  383    H    THR  53           H        THR  53  29.191  -6.927 -14.770
  384    HA   THR  53           HA       THR  53  28.664  -3.982 -14.932
  385    HB   THR  53           HB       THR  53  28.909  -5.891 -17.292
  386    HG1  THR  53           HG1      THR  53  30.756  -4.692 -17.761
  387   HG21  THR  53          HG21      THR  53  28.503  -2.868 -17.204
  388   HG22  THR  53          HG22      THR  53  28.714  -3.847 -18.665
  389   HG23  THR  53          HG23      THR  53  27.257  -4.045 -17.680
  390    H    ILE  54           H        ILE  54  26.611  -3.631 -14.379
  391    HA   ILE  54           HA       ILE  54  24.588  -5.785 -14.825
  392    HB   ILE  54           HB       ILE  54  24.732  -5.381 -12.572
  393   HG12  ILE  54          HG12      ILE  54  22.409  -5.573 -13.418
  394   HG13  ILE  54          HG13      ILE  54  22.608  -4.794 -11.862
  395   HG21  ILE  54          HG21      ILE  54  24.628  -2.410 -13.128
  396   HG22  ILE  54          HG22      ILE  54  24.380  -3.121 -11.514
  397   HG23  ILE  54          HG23      ILE  54  25.920  -3.353 -12.349
  398   HD11  ILE  54          HD11      ILE  54  21.863  -3.416 -14.473
  399   HD12  ILE  54          HD12      ILE  54  20.912  -3.581 -13.016
  400   HD13  ILE  54          HD13      ILE  54  22.335  -2.550 -12.995
  401    H    THR  55           H        THR  55  23.039  -5.576 -16.201
  402    HA   THR  55           HA       THR  55  22.666  -2.963 -17.585
  403    HB   THR  55           HB       THR  55  22.086  -4.375 -19.609
  404    HG1  THR  55           HG1      THR  55  22.576  -6.483 -19.595
  405   HG21  THR  55          HG21      THR  55  24.929  -4.595 -18.503
  406   HG22  THR  55          HG22      THR  55  24.458  -4.963 -20.174
  407   HG23  THR  55          HG23      THR  55  24.285  -3.320 -19.560
  408    H    VAL  56           H        VAL  56  20.627  -2.257 -17.964
  409    HA   VAL  56           HA       VAL  56  18.332  -3.878 -16.921
  410    HB   VAL  56           HB       VAL  56  18.753  -0.894 -17.105
  411   HG11  VAL  56          HG11      VAL  56  16.071  -2.341 -16.829
  412   HG12  VAL  56          HG12      VAL  56  16.350  -0.633 -16.428
  413   HG13  VAL  56          HG13      VAL  56  16.535  -1.174 -18.096
  414   HG21  VAL  56          HG21      VAL  56  19.328  -2.290 -15.052
  415   HG22  VAL  56          HG22      VAL  56  18.102  -1.038 -14.761
  416   HG23  VAL  56          HG23      VAL  56  17.615  -2.729 -14.940
  417    H    ASN  57           H        ASN  57  17.261  -4.874 -18.338
  418    HA   ASN  57           HA       ASN  57  16.604  -5.838 -20.263
  419    HB2  ASN  57           HB2      ASN  57  16.249  -2.988 -21.270
  420    HB3  ASN  57           HB3      ASN  57  15.628  -4.437 -22.043
  421   HD21  ASN  57          HD21      ASN  57  13.487  -2.803 -19.090
  422   HD22  ASN  57          HD22      ASN  57  14.918  -2.033 -19.761
  423    H    GLN  58           H        GLN  58  18.379  -3.125 -21.706
  424    HA   GLN  58           HA       GLN  58  20.456  -4.917 -22.826
  425    HB2  GLN  58           HB2      GLN  58  20.107  -4.042 -25.100
  426    HB3  GLN  58           HB3      GLN  58  18.714  -4.938 -24.509
  427    HG2  GLN  58           HG2      GLN  58  17.466  -2.889 -24.081
  428    HG3  GLN  58           HG3      GLN  58  18.874  -1.893 -24.444
  429   HE21  GLN  58          HE21      GLN  58  18.519  -2.264 -28.017
  430   HE22  GLN  58          HE22      GLN  58  19.686  -1.912 -26.750
  431    H    ASP  59           H        ASP  59  19.982  -2.320 -20.982
  432    HA   ASP  59           HA       ASP  59  22.130  -0.607 -22.202
  433    HB2  ASP  59           HB2      ASP  59  19.675   0.083 -20.549
  434    HB3  ASP  59           HB3      ASP  59  20.990   1.209 -20.847
  435    H    VAL  60           H        VAL  60  23.958  -0.263 -21.017
  436    HA   VAL  60           HA       VAL  60  24.182  -1.441 -18.344
  437    HB   VAL  60           HB       VAL  60  26.089  -1.566 -19.819
  438   HG11  VAL  60          HG11      VAL  60  26.334   1.466 -19.637
  439   HG12  VAL  60          HG12      VAL  60  27.490   0.351 -20.386
  440   HG13  VAL  60          HG13      VAL  60  25.883   0.547 -21.091
  441   HG21  VAL  60          HG21      VAL  60  26.446  -1.500 -17.353
  442   HG22  VAL  60          HG22      VAL  60  27.825  -0.882 -18.286
  443   HG23  VAL  60          HG23      VAL  60  26.751   0.253 -17.465
  444    H    ILE  61           H        ILE  61  24.158  -0.530 -16.413
  445    HA   ILE  61           HA       ILE  61  23.823   2.448 -16.221
  446    HB   ILE  61           HB       ILE  61  22.318   1.942 -14.253
  447   HG12  ILE  61          HG12      ILE  61  21.682  -0.670 -15.634
  448   HG13  ILE  61          HG13      ILE  61  22.803  -0.581 -14.265
  449   HG21  ILE  61          HG21      ILE  61  21.234   1.304 -17.018
  450   HG22  ILE  61          HG22      ILE  61  20.334   2.002 -15.648
  451   HG23  ILE  61          HG23      ILE  61  21.616   2.934 -16.419
  452   HD11  ILE  61          HD11      ILE  61  19.923   0.414 -14.178
  453   HD12  ILE  61          HD12      ILE  61  20.497  -1.124 -13.550
  454   HD13  ILE  61          HD13      ILE  61  21.090   0.387 -12.839
  455    H    PHE  62           H        PHE  62  25.260  -0.451 -14.793
  456    HA   PHE  62           HA       PHE  62  27.058   1.318 -13.338
  457    HB2  PHE  62           HB2      PHE  62  25.400   1.165 -11.646
  458    HB3  PHE  62           HB3      PHE  62  25.160  -0.550 -11.881
  459    HD1  PHE  62           HD1      PHE  62  26.469  -2.111 -10.512
  460    HD2  PHE  62           HD2      PHE  62  27.687   2.018 -10.821
  461    HE1  PHE  62           HE1      PHE  62  28.320  -2.529  -8.892
  462    HE2  PHE  62           HE2      PHE  62  29.495   1.597  -9.178
  463    HZ   PHE  62           HZ       PHE  62  29.810  -0.673  -8.221
  464    H    GLN  63           H        GLN  63  29.002   0.401 -12.852
  465    HA   GLN  63           HA       GLN  63  29.467  -2.418 -13.154
  466    HB2  GLN  63           HB2      GLN  63  31.113  -2.304 -14.984
  467    HB3  GLN  63           HB3      GLN  63  29.487  -1.883 -15.507
  468    HG2  GLN  63           HG2      GLN  63  30.097   0.539 -15.429
  469    HG3  GLN  63           HG3      GLN  63  31.754   0.086 -15.015
  470   HE21  GLN  63          HE21      GLN  63  32.321  -1.368 -18.354
  471   HE22  GLN  63          HE22      GLN  63  32.574  -1.831 -16.683
  472    H    THR  64           H        THR  64  31.434  -3.123 -12.321
  473    HA   THR  64           HA       THR  64  33.402  -1.224 -11.243
  474    HB   THR  64           HB       THR  64  31.569  -1.135  -9.601
  475    HG1  THR  64           HG1      THR  64  32.924  -1.407  -7.858
  476   HG21  THR  64          HG21      THR  64  32.190  -4.060  -8.980
  477   HG22  THR  64          HG22      THR  64  31.005  -3.004  -8.179
  478   HG23  THR  64          HG23      THR  64  30.736  -3.514  -9.845
  479    H    PHE  65           H        PHE  65  35.163  -2.391 -10.052
  480    HA   PHE  65           HA       PHE  65  35.714  -4.995 -11.387
  481    HB2  PHE  65           HB2      PHE  65  37.266  -2.790 -11.341
  482    HB3  PHE  65           HB3      PHE  65  37.847  -3.560  -9.874
  483    HD1  PHE  65           HD1      PHE  65  38.507  -6.118 -10.103
  484    HD2  PHE  65           HD2      PHE  65  38.106  -3.410 -13.429
  485    HE1  PHE  65           HE1      PHE  65  39.726  -7.708 -11.544
  486    HE2  PHE  65           HE2      PHE  65  39.418  -4.969 -14.850
  487    HZ   PHE  65           HZ       PHE  65  40.184  -7.134 -13.942
  488    H    LEU  66           H        LEU  66  35.789  -6.850 -10.264
  489    HA   LEU  66           HA       LEU  66  35.746  -6.806  -7.283
  490    HB2  LEU  66           HB2      LEU  66  34.666  -8.734  -9.327
  491    HB3  LEU  66           HB3      LEU  66  35.156  -9.316  -7.745
  492    HG   LEU  66           HG       LEU  66  32.977  -7.275  -8.218
  493   HD11  LEU  66          HD11      LEU  66  32.939 -10.155  -7.174
  494   HD12  LEU  66          HD12      LEU  66  31.553  -9.109  -7.517
  495   HD13  LEU  66          HD13      LEU  66  32.563  -9.709  -8.835
  496   HD21  LEU  66          HD21      LEU  66  33.995  -6.835  -6.018
  497   HD22  LEU  66          HD22      LEU  66  32.479  -7.718  -5.782
  498   HD23  LEU  66          HD23      LEU  66  34.031  -8.571  -5.652
  499    H    PHE  67           H        PHE  67  37.195  -7.890  -6.132
  500    HA   PHE  67           HA       PHE  67  39.543  -9.116  -7.538
  501    HB2  PHE  67           HB2      PHE  67  39.543  -7.486  -4.988
  502    HB3  PHE  67           HB3      PHE  67  40.952  -8.149  -5.805
  503    HD1  PHE  67           HD1      PHE  67  41.878  -7.031  -7.803
  504    HD2  PHE  67           HD2      PHE  67  38.344  -5.519  -5.844
  505    HE1  PHE  67           HE1      PHE  67  42.105  -4.875  -9.030
  506    HE2  PHE  67           HE2      PHE  67  38.551  -3.394  -7.106
  507    HZ   PHE  67           HZ       PHE  67  40.434  -3.070  -8.701
  508    HA   PRO  68           HA       PRO  68  38.359 -12.582  -4.969
  509    HB2  PRO  68           HB2      PRO  68  40.222 -14.409  -5.717
  510    HB3  PRO  68           HB3      PRO  68  38.972 -13.801  -6.849
  511    HG2  PRO  68           HG2      PRO  68  41.828 -12.778  -6.529
  512    HG3  PRO  68           HG3      PRO  68  41.007 -13.292  -8.048
  513    HD2  PRO  68           HD2      PRO  68  41.140 -10.708  -7.310
  514    HD3  PRO  68           HD3      PRO  68  39.665 -11.388  -8.074
  515    H    LEU  69           H        LEU  69  41.684 -11.302  -4.786
  516    HA   LEU  69           HA       LEU  69  42.345 -12.748  -2.339
  517    HB2  LEU  69           HB2      LEU  69  43.954 -12.254  -4.164
  518    HB3  LEU  69           HB3      LEU  69  43.775 -10.527  -3.855
  519    HG   LEU  69           HG       LEU  69  44.782 -10.816  -1.602
  520   HD11  LEU  69          HD11      LEU  69  45.154 -13.723  -2.460
  521   HD12  LEU  69          HD12      LEU  69  45.929 -12.960  -1.055
  522   HD13  LEU  69          HD13      LEU  69  44.176 -13.147  -1.091
  523   HD21  LEU  69          HD21      LEU  69  46.193 -10.288  -3.552
  524   HD22  LEU  69          HD22      LEU  69  47.064 -11.278  -2.371
  525   HD23  LEU  69          HD23      LEU  69  46.433 -12.022  -3.857
  526    H    LYS  70           H        LYS  70  41.036  -9.611  -3.106
  527    HA   LYS  70           HA       LYS  70  41.462  -8.498  -0.381
  528    HB2  LYS  70           HB2      LYS  70  40.152  -7.337  -2.871
  529    HB3  LYS  70           HB3      LYS  70  40.234  -6.505  -1.322
  530    HG2  LYS  70           HG2      LYS  70  42.695  -6.589  -1.357
  531    HG3  LYS  70           HG3      LYS  70  42.659  -7.411  -2.930
  532    HD2  LYS  70           HD2      LYS  70  41.622  -5.464  -3.991
  533    HD3  LYS  70           HD3      LYS  70  41.376  -4.692  -2.424
  534    HE2  LYS  70           HE2      LYS  70  43.224  -3.599  -3.452
  535    HE3  LYS  70           HE3      LYS  70  43.828  -4.530  -2.083
  536    HZ1  LYS  70           HZ1      LYS  70  44.006  -5.386  -4.939
  537    HZ2  LYS  70           HZ2      LYS  70  45.236  -4.775  -4.062
  538    HZ3  LYS  70           HZ3      LYS  70  44.617  -6.227  -3.665
  539    H    ARG  71           H        ARG  71  39.654  -7.541   0.765
  540    HA   ARG  71           HA       ARG  71  37.394  -9.483   0.931
  541    HB2  ARG  71           HB2      ARG  71  37.416  -9.224   3.283
  542    HB3  ARG  71           HB3      ARG  71  39.051  -9.537   2.717
  543    HG2  ARG  71           HG2      ARG  71  39.388  -6.948   2.826
  544    HG3  ARG  71           HG3      ARG  71  37.904  -6.928   3.782
  545    HD2  ARG  71           HD2      ARG  71  40.467  -8.458   4.390
  546    HD3  ARG  71           HD3      ARG  71  39.917  -6.985   5.204
  547    HE   ARG  71           HE       ARG  71  37.823  -8.742   5.606
  548   HH11  ARG  71          HH11      ARG  71  41.236  -8.888   6.395
  549   HH12  ARG  71          HH12      ARG  71  40.976  -9.970   7.734
  550   HH21  ARG  71          HH21      ARG  71  37.564 -10.142   7.324
  551   HH22  ARG  71          HH22      ARG  71  38.946 -10.646   8.248
  552    H    ASP  72           H        ASP  72  37.416  -6.922  -0.673
  553    HA   ASP  72           HA       ASP  72  35.282  -5.328   0.532
  554    HB2  ASP  72           HB2      ASP  72  35.360  -3.987  -1.413
  555    HB3  ASP  72           HB3      ASP  72  37.003  -4.337  -0.936
  556    H    PHE  73           H        PHE  73  35.250  -8.242  -1.344
  557    HA   PHE  73           HA       PHE  73  33.317  -7.938  -3.212
  558    HB2  PHE  73           HB2      PHE  73  34.493  -9.974  -3.040
  559    HB3  PHE  73           HB3      PHE  73  33.928 -10.305  -1.412
  560    HD1  PHE  73           HD1      PHE  73  33.216 -10.685  -4.957
  561    HD2  PHE  73           HD2      PHE  73  31.537 -11.015  -0.993
  562    HE1  PHE  73           HE1      PHE  73  31.297 -11.974  -5.873
  563    HE2  PHE  73           HE2      PHE  73  29.618 -12.276  -1.914
  564    HZ   PHE  73           HZ       PHE  73  29.475 -12.722  -4.333
  565    H    GLU  74           H        GLU  74  32.446  -8.746   0.192
  566    HA   GLU  74           HA       GLU  74  29.629  -8.809  -0.242
  567    HB2  GLU  74           HB2      GLU  74  31.055  -9.572   1.779
  568    HB3  GLU  74           HB3      GLU  74  30.951  -7.895   2.330
  569    HG2  GLU  74           HG2      GLU  74  28.453  -8.066   2.276
  570    HG3  GLU  74           HG3      GLU  74  28.600  -9.740   1.722
  571    H    LYS  75           H        LYS  75  31.778  -6.139   0.586
  572    HA   LYS  75           HA       LYS  75  29.707  -4.143   1.027
  573    HB2  LYS  75           HB2      LYS  75  32.704  -3.736   0.451
  574    HB3  LYS  75           HB3      LYS  75  31.549  -2.537   1.037
  575    HG2  LYS  75           HG2      LYS  75  32.286  -3.129   3.093
  576    HG3  LYS  75           HG3      LYS  75  31.125  -4.440   2.927
  577    HD2  LYS  75           HD2      LYS  75  33.212  -5.723   1.830
  578    HD3  LYS  75           HD3      LYS  75  34.142  -4.462   2.656
  579    HE2  LYS  75           HE2      LYS  75  32.844  -5.122   4.787
  580    HE3  LYS  75           HE3      LYS  75  32.211  -6.496   3.869
  581    HZ1  LYS  75           HZ1      LYS  75  35.072  -5.960   4.518
  582    HZ2  LYS  75           HZ2      LYS  75  34.168  -7.201   5.070
  583    HZ3  LYS  75           HZ3      LYS  75  34.620  -7.150   3.487
  584    H    THR  76           H        THR  76  31.857  -4.929  -1.703
  585    HA   THR  76           HA       THR  76  30.803  -3.061  -3.580
  586    HB   THR  76           HB       THR  76  32.218  -5.730  -3.923
  587    HG1  THR  76           HG1      THR  76  33.943  -4.499  -3.865
  588   HG21  THR  76          HG21      THR  76  31.476  -3.631  -6.012
  589   HG22  THR  76          HG22      THR  76  32.766  -4.847  -6.237
  590   HG23  THR  76          HG23      THR  76  31.083  -5.361  -6.040
  591    H    VAL  77           H        VAL  77  29.674  -6.399  -2.817
  592    HA   VAL  77           HA       VAL  77  27.557  -6.448  -4.782
  593    HB   VAL  77           HB       VAL  77  27.914  -7.896  -2.137
  594   HG11  VAL  77          HG11      VAL  77  25.657  -8.211  -4.160
  595   HG12  VAL  77          HG12      VAL  77  26.020  -9.355  -2.849
  596   HG13  VAL  77          HG13      VAL  77  25.481  -7.734  -2.453
  597   HG21  VAL  77          HG21      VAL  77  29.349  -8.522  -4.156
  598   HG22  VAL  77          HG22      VAL  77  28.350  -9.822  -3.501
  599   HG23  VAL  77          HG23      VAL  77  27.842  -8.979  -4.980
  600    H    VAL  78           H        VAL  78  27.459  -5.496  -1.284
  601    HA   VAL  78           HA       VAL  78  24.696  -4.751  -1.337
  602    HB   VAL  78           HB       VAL  78  26.975  -3.913   0.489
  603   HG11  VAL  78          HG11      VAL  78  23.983  -3.402   0.833
  604   HG12  VAL  78          HG12      VAL  78  25.204  -3.226   2.112
  605   HG13  VAL  78          HG13      VAL  78  25.260  -2.170   0.704
  606   HG21  VAL  78          HG21      VAL  78  26.293  -6.331   0.517
  607   HG22  VAL  78          HG22      VAL  78  25.950  -5.508   2.040
  608   HG23  VAL  78          HG23      VAL  78  24.632  -5.835   0.889
  609    H    ALA  79           H        ALA  79  27.626  -2.850  -2.027
  610    HA   ALA  79           HA       ALA  79  26.266  -0.320  -2.262
  611    HB1  ALA  79           HB1      ALA  79  28.926  -1.321  -3.364
  612    HB2  ALA  79           HB2      ALA  79  28.439   0.388  -3.183
  613    HB3  ALA  79           HB3      ALA  79  28.662  -0.632  -1.747
  614    H    ALA  80           H        ALA  80  26.939  -2.940  -4.637
  615    HA   ALA  80           HA       ALA  80  26.180  -1.436  -6.961
  616    HB1  ALA  80           HB1      ALA  80  25.993  -4.440  -6.429
  617    HB2  ALA  80           HB2      ALA  80  26.017  -3.636  -8.013
  618    HB3  ALA  80           HB3      ALA  80  27.456  -3.589  -6.969
  619    H    LEU  81           H        LEU  81  24.245  -2.987  -4.443
  620    HA   LEU  81           HA       LEU  81  21.759  -3.197  -5.897
  621    HB2  LEU  81           HB2      LEU  81  22.037  -2.591  -2.928
  622    HB3  LEU  81           HB3      LEU  81  20.689  -3.357  -3.739
  623    HG   LEU  81           HG       LEU  81  23.442  -4.583  -3.424
  624   HD11  LEU  81          HD11      LEU  81  20.903  -5.126  -1.867
  625   HD12  LEU  81          HD12      LEU  81  22.465  -5.966  -1.693
  626   HD13  LEU  81          HD13      LEU  81  22.327  -4.255  -1.263
  627   HD21  LEU  81          HD21      LEU  81  22.175  -5.534  -5.335
  628   HD22  LEU  81          HD22      LEU  81  22.386  -6.706  -4.024
  629   HD23  LEU  81          HD23      LEU  81  20.826  -5.897  -4.230
  630    H    ILE  82           H        ILE  82  23.079  -0.659  -3.776
  631    HA   ILE  82           HA       ILE  82  20.959   1.257  -4.190
  632    HB   ILE  82           HB       ILE  82  23.824   1.670  -3.233
  633   HG12  ILE  82          HG12      ILE  82  21.257   1.295  -1.614
  634   HG13  ILE  82          HG13      ILE  82  22.476   0.047  -1.849
  635   HG21  ILE  82          HG21      ILE  82  21.367   3.473  -2.961
  636   HG22  ILE  82          HG22      ILE  82  22.962   3.782  -2.242
  637   HG23  ILE  82          HG23      ILE  82  22.784   3.798  -3.983
  638   HD11  ILE  82          HD11      ILE  82  22.858   2.636  -0.317
  639   HD12  ILE  82          HD12      ILE  82  22.835   0.983   0.304
  640   HD13  ILE  82          HD13      ILE  82  24.175   1.508  -0.732
  641    H    GLN  83           H        GLN  83  24.232   0.915  -5.665
  642    HA   GLN  83           HA       GLN  83  23.959   3.248  -7.305
  643    HB2  GLN  83           HB2      GLN  83  25.774   0.812  -7.505
  644    HB3  GLN  83           HB3      GLN  83  25.931   2.237  -8.545
  645    HG2  GLN  83           HG2      GLN  83  26.309   3.697  -6.674
  646    HG3  GLN  83           HG3      GLN  83  25.967   2.439  -5.497
  647   HE21  GLN  83          HE21      GLN  83  29.136   0.772  -5.943
  648   HE22  GLN  83          HE22      GLN  83  27.421   0.451  -5.614
  649    H    THR  84           H        THR  84  22.835  -0.040  -7.843
  650    HA   THR  84           HA       THR  84  22.187   0.221 -10.642
  651    HB   THR  84           HB       THR  84  20.918  -1.481  -8.467
  652    HG1  THR  84           HG1      THR  84  23.025  -2.061  -8.822
  653   HG21  THR  84          HG21      THR  84  20.767  -1.767 -11.475
  654   HG22  THR  84          HG22      THR  84  20.154  -2.907 -10.267
  655   HG23  THR  84          HG23      THR  84  19.403  -1.310 -10.438
  656    H    GLU  85           H        GLU  85  20.235   0.986  -7.636
  657    HA   GLU  85           HA       GLU  85  18.040   1.916  -9.353
  658    HB2  GLU  85           HB2      GLU  85  16.916   2.622  -7.384
  659    HB3  GLU  85           HB3      GLU  85  17.479   0.968  -7.183
  660    HG2  GLU  85           HG2      GLU  85  19.115   1.588  -5.600
  661    HG3  GLU  85           HG3      GLU  85  19.082   3.292  -6.063
  662    H    GLU  86           H        GLU  86  20.802   3.496  -7.713
  663    HA   GLU  86           HA       GLU  86  19.904   6.137  -8.021
  664    HB2  GLU  86           HB2      GLU  86  22.677   4.947  -7.915
  665    HB3  GLU  86           HB3      GLU  86  22.418   6.691  -7.986
  666    HG2  GLU  86           HG2      GLU  86  20.980   5.015  -5.918
  667    HG3  GLU  86           HG3      GLU  86  22.645   5.545  -5.660
  668    H    ALA  87           H        ALA  87  21.303   4.082 -10.524
  669    HA   ALA  87           HA       ALA  87  21.572   6.137 -12.538
  670    HB1  ALA  87           HB1      ALA  87  20.917   3.155 -12.787
  671    HB2  ALA  87           HB2      ALA  87  21.491   4.218 -14.087
  672    HB3  ALA  87           HB3      ALA  87  22.551   3.858 -12.708
  673    H    LEU  88           H        LEU  88  18.821   4.089 -11.478
  674    HA   LEU  88           HA       LEU  88  17.098   5.038 -13.664
  675    HB2  LEU  88           HB2      LEU  88  16.436   3.236 -11.339
  676    HB3  LEU  88           HB3      LEU  88  15.502   3.423 -12.817
  677    HG   LEU  88           HG       LEU  88  18.226   2.087 -12.489
  678   HD11  LEU  88          HD11      LEU  88  15.515   1.010 -13.334
  679   HD12  LEU  88          HD12      LEU  88  17.015   0.081 -13.092
  680   HD13  LEU  88          HD13      LEU  88  16.228   0.854 -11.708
  681   HD21  LEU  88          HD21      LEU  88  18.272   3.128 -14.648
  682   HD22  LEU  88          HD22      LEU  88  17.905   1.419 -14.895
  683   HD23  LEU  88          HD23      LEU  88  16.592   2.607 -15.001
  684    H    ASN  89           H        ASN  89  17.696   5.823 -10.363
  685    HA   ASN  89           HA       ASN  89  15.344   7.139  -9.608
  686    HB2  ASN  89           HB2      ASN  89  18.230   7.193  -8.772
  687    HB3  ASN  89           HB3      ASN  89  17.152   8.386  -8.105
  688   HD21  ASN  89          HD21      ASN  89  17.208   5.375  -5.864
  689   HD22  ASN  89          HD22      ASN  89  18.384   6.595  -6.393
  690    H    ARG  90           H        ARG  90  17.965   8.336 -11.586
  691    HA   ARG  90           HA       ARG  90  16.614  10.977 -11.858
  692    HB2  ARG  90           HB2      ARG  90  18.585  11.841 -12.519
  693    HB3  ARG  90           HB3      ARG  90  19.130  10.523 -11.507
  694    HG2  ARG  90           HG2      ARG  90  20.543  10.201 -13.262
  695    HG3  ARG  90           HG3      ARG  90  19.213   9.194 -13.843
  696    HD2  ARG  90           HD2      ARG  90  18.366  11.245 -15.107
  697    HD3  ARG  90           HD3      ARG  90  19.811  12.100 -14.574
  698    HE   ARG  90           HE       ARG  90  20.817   9.805 -15.759
  699   HH11  ARG  90          HH11      ARG  90  18.784  12.407 -16.944
  700   HH12  ARG  90          HH12      ARG  90  19.316  12.198 -18.588
  701   HH21  ARG  90          HH21      ARG  90  21.456   9.597 -17.880
  702   HH22  ARG  90          HH22      ARG  90  20.796  10.649 -19.097
  703    H    ARG  91           H        ARG  91  16.536   7.994 -13.479
  704    HA   ARG  91           HA       ARG  91  15.949   9.065 -16.195
  705    HB2  ARG  91           HB2      ARG  91  16.002   6.251 -15.043
  706    HB3  ARG  91           HB3      ARG  91  15.595   6.609 -16.718
  707    HG2  ARG  91           HG2      ARG  91  17.789   7.417 -17.205
  708    HG3  ARG  91           HG3      ARG  91  18.261   7.406 -15.508
  709    HD2  ARG  91           HD2      ARG  91  18.873   5.210 -15.627
  710    HD3  ARG  91           HD3      ARG  91  17.302   4.735 -16.183
  711    HE   ARG  91           HE       ARG  91  19.715   5.415 -17.803
  712   HH11  ARG  91          HH11      ARG  91  16.339   4.415 -18.047
  713   HH12  ARG  91          HH12      ARG  91  16.528   3.956 -19.711
  714   HH21  ARG  91          HH21      ARG  91  19.848   4.809 -19.912
  715   HH22  ARG  91          HH22      ARG  91  18.454   4.176 -20.734
  716    H    GLN  92           H        GLN  92  14.217   7.060 -13.835
  717    HA   GLN  92           HA       GLN  92  11.587   7.863 -15.039
  718    HB2  GLN  92           HB2      GLN  92  10.928   5.471 -15.079
  719    HB3  GLN  92           HB3      GLN  92  12.131   5.933 -16.275
  720    HG2  GLN  92           HG2      GLN  92  13.878   4.751 -15.195
  721    HG3  GLN  92           HG3      GLN  92  13.005   4.622 -13.672
  722   HE21  GLN  92          HE21      GLN  92  10.963   1.865 -14.744
  723   HE22  GLN  92          HE22      GLN  92  11.020   3.204 -13.606
  724    H    ILE  93           H        ILE  93  13.157   6.240 -12.251
  725    HA   ILE  93           HA       ILE  93  10.720   6.135 -10.692
  726    HB   ILE  93           HB       ILE  93  13.531   6.229  -9.545
  727   HG12  ILE  93          HG12      ILE  93  12.056   3.819 -10.686
  728   HG13  ILE  93          HG13      ILE  93  13.554   4.518 -11.310
  729   HG21  ILE  93          HG21      ILE  93  10.959   4.908  -8.600
  730   HG22  ILE  93          HG22      ILE  93  12.510   4.930  -7.725
  731   HG23  ILE  93          HG23      ILE  93  11.630   6.429  -7.955
  732   HD11  ILE  93          HD11      ILE  93  13.270   3.035  -8.687
  733   HD12  ILE  93          HD12      ILE  93  14.130   2.535 -10.148
  734   HD13  ILE  93          HD13      ILE  93  14.733   3.911  -9.213
  735    H    ASN  94           H        ASN  94  12.973   8.642 -11.411
  736    HA   ASN  94           HA       ASN  94  12.550  10.681  -9.645
  737    HB2  ASN  94           HB2      ASN  94  13.793  10.403 -12.043
  738    HB3  ASN  94           HB3      ASN  94  12.370  11.224 -12.635
  739   HD21  ASN  94          HD21      ASN  94  15.259  13.172 -10.509
  740   HD22  ASN  94          HD22      ASN  94  15.050  11.428 -10.314
  741    H    GLN  95           H        GLN  95  10.221   9.629 -12.186
  742    HA   GLN  95           HA       GLN  95   8.350  11.801 -11.665
  743    HB2  GLN  95           HB2      GLN  95   7.996   9.203 -13.216
  744    HB3  GLN  95           HB3      GLN  95   6.876  10.569 -13.204
  745    HG2  GLN  95           HG2      GLN  95   8.718  12.027 -14.125
  746    HG3  GLN  95           HG3      GLN  95   9.726  10.589 -14.290
  747   HE21  GLN  95          HE21      GLN  95   7.805   9.276 -17.057
  748   HE22  GLN  95          HE22      GLN  95   8.780   8.790 -15.673
  749    H    ALA  96           H        ALA  96   8.735   8.474 -10.500
  750    HA   ALA  96           HA       ALA  96   6.133   8.314  -9.215
  751    HB1  ALA  96           HB1      ALA  96   8.666   6.660  -8.818
  752    HB2  ALA  96           HB2      ALA  96   7.034   6.246  -8.259
  753    HB3  ALA  96           HB3      ALA  96   7.375   6.329  -9.997
  754    H    LEU  97           H        LEU  97   9.465   9.081  -8.066
  755    HA   LEU  97           HA       LEU  97   8.609   9.457  -5.328
  756    HB2  LEU  97           HB2      LEU  97  10.840  10.137  -4.876
  757    HB3  LEU  97           HB3      LEU  97  10.796   8.720  -5.917
  758    HG   LEU  97           HG       LEU  97  11.182  10.432  -7.854
  759   HD11  LEU  97          HD11      LEU  97  12.310  11.999  -5.495
  760   HD12  LEU  97          HD12      LEU  97  12.639  12.335  -7.207
  761   HD13  LEU  97          HD13      LEU  97  11.013  12.544  -6.576
  762   HD21  LEU  97          HD21      LEU  97  12.779   8.693  -7.188
  763   HD22  LEU  97          HD22      LEU  97  13.637  10.197  -7.552
  764   HD23  LEU  97          HD23      LEU  97  13.368   9.719  -5.861
  765    H    LEU  98           H        LEU  98   8.638  11.580  -8.007
  766    HA   LEU  98           HA       LEU  98   8.529  14.112  -6.722
  767    HB2  LEU  98           HB2      LEU  98   8.959  13.775  -9.104
  768    HB3  LEU  98           HB3      LEU  98   7.330  13.142  -9.344
  769    HG   LEU  98           HG       LEU  98   6.384  15.377  -8.854
  770   HD11  LEU  98          HD11      LEU  98   9.306  16.260  -8.690
  771   HD12  LEU  98          HD12      LEU  98   7.901  17.346  -8.767
  772   HD13  LEU  98          HD13      LEU  98   8.126  16.303  -7.360
  773   HD21  LEU  98          HD21      LEU  98   6.966  14.719 -11.163
  774   HD22  LEU  98          HD22      LEU  98   7.158  16.461 -10.910
  775   HD23  LEU  98          HD23      LEU  98   8.589  15.407 -10.954
  776    H    SER  99           H        SER  99   5.993  11.684  -6.988
  777    HA   SER  99           HA       SER  99   3.787  11.621  -6.431
  778    HB2  SER  99           HB2      SER  99   4.721  13.515  -4.252
  779    HB3  SER  99           HB3      SER  99   3.192  12.615  -4.258
  780    HG   SER  99           HG       SER  99   4.850  11.510  -3.091
  781    H    THR 100           H        THR 100   3.475  12.731  -8.557
  782    HA   THR 100           HA       THR 100   2.935  15.518  -8.792
  783    HB   THR 100           HB       THR 100   1.920  14.889 -10.986
  784    HG1  THR 100           HG1      THR 100   1.963  12.674 -11.533
  785   HG21  THR 100          HG21      THR 100   4.535  13.413 -10.424
  786   HG22  THR 100          HG22      THR 100   3.934  13.970 -11.999
  787   HG23  THR 100          HG23      THR 100   4.386  15.153 -10.763
  788    H    GLY 101           H        GLY 101   0.825  13.026  -7.596
  789    HA2  GLY 101           HA2      GLY 101  -1.234  13.339  -6.539
  790    HA3  GLY 101           HA3      GLY 101  -1.355  14.967  -7.211
  791    H    ASP 102           H        ASP 102  -0.642  13.029  -9.781
  792    HA   ASP 102           HA       ASP 102  -3.429  12.688 -10.706
  793    HB2  ASP 102           HB2      ASP 102  -0.747  12.016 -11.968
  794    HB3  ASP 102           HB3      ASP 102  -2.304  11.700 -12.724
  795    H    LEU 103           H        LEU 103  -4.157  10.544 -11.548
  796    HA   LEU 103           HA       LEU 103  -4.021   8.522  -9.548
  797    HB2  LEU 103           HB2      LEU 103  -5.945   8.752 -10.907
  798    HB3  LEU 103           HB3      LEU 103  -5.048   8.515 -12.404
  799    HG   LEU 103           HG       LEU 103  -4.864   6.245 -10.460
  800   HD11  LEU 103          HD11      LEU 103  -7.464   6.871 -11.915
  801   HD12  LEU 103          HD12      LEU 103  -7.086   5.362 -11.048
  802   HD13  LEU 103          HD13      LEU 103  -7.218   6.884 -10.154
  803   HD21  LEU 103          HD21      LEU 103  -3.907   6.100 -12.746
  804   HD22  LEU 103          HD22      LEU 103  -5.164   4.889 -12.459
  805   HD23  LEU 103          HD23      LEU 103  -5.527   6.335 -13.424
  806    H    ALA 104           H        ALA 104  -2.876   6.773  -9.268
  807    HA   ALA 104           HA       ALA 104  -1.484   5.493 -11.459
  808    HB1  ALA 104           HB1      ALA 104   0.081   6.307  -8.956
  809    HB2  ALA 104           HB2      ALA 104   0.708   5.325 -10.299
  810    HB3  ALA 104           HB3      ALA 104   0.281   7.022 -10.573
  811    H    HIS 105           H        HIS 105  -3.796   4.850 -10.061
  812    HA   HIS 105           HA       HIS 105  -3.120   2.913  -7.934
  813    HB2  HIS 105           HB2      HIS 105  -5.731   4.300  -8.637
  814    HB3  HIS 105           HB3      HIS 105  -5.428   3.295  -7.221
  815    HD2  HIS 105           HD2      HIS 105  -4.260   4.426  -5.139
  816    HE1  HIS 105           HE1      HIS 105  -3.593   8.302  -6.792
  817    HE2  HIS 105           HE2      HIS 105  -3.508   6.908  -4.665
  818    H    ASP 106           H        ASP 106  -3.219   0.823  -8.269
  819    HA   ASP 106           HA       ASP 106  -3.657  -1.222  -9.062
  820    HB2  ASP 106           HB2      ASP 106  -5.747  -0.624  -7.850
  821    HB3  ASP 106           HB3      ASP 106  -6.487  -0.190  -9.389
  822    H    GLU 107           H        GLU 107  -2.522   0.449 -11.006
  823    HA   GLU 107           HA       GLU 107  -3.947   0.309 -13.489
  824    HB2  GLU 107           HB2      GLU 107  -1.044   0.946 -12.873
  825    HB3  GLU 107           HB3      GLU 107  -1.780   1.081 -14.471
  826    HG2  GLU 107           HG2      GLU 107  -3.482   2.670 -13.489
  827    HG3  GLU 107           HG3      GLU 107  -2.542   2.665 -11.993
  828    H    PHE 108           H        PHE 108  -1.610  -1.859 -12.041
  829    HA   PHE 108           HA       PHE 108  -1.742  -3.734 -14.343
  830    HB2  PHE 108           HB2      PHE 108   0.817  -2.771 -13.012
  831    HB3  PHE 108           HB3      PHE 108   0.703  -4.092 -14.159
  832    HD1  PHE 108           HD1      PHE 108   0.690  -0.434 -13.759
  833    HD2  PHE 108           HD2      PHE 108   0.213  -3.673 -16.560
  834    HE1  PHE 108           HE1      PHE 108   0.994   1.157 -15.648
  835    HE2  PHE 108           HE2      PHE 108   0.513  -2.083 -18.449
  836    HZ   PHE 108           HZ       PHE 108   0.903   0.333 -17.994
  Start of MODEL    6
    1    H1   ALA   1           H1       ALA   1  -0.746  -0.532   1.130
    2    H2   ALA   1           H2       ALA   1  -2.203  -0.703   0.406
    3    H3   ALA   1           H3       ALA   1  -1.498   0.774   0.488
    4    HA   ALA   1           HA       ALA   1  -1.299  -0.118  -1.736
    5    HB1  ALA   1           HB1      ALA   1   1.382   0.026  -0.274
    6    HB2  ALA   1           HB2      ALA   1   1.134   0.188  -2.023
    7    HB3  ALA   1           HB3      ALA   1   0.477   1.409  -0.924
    8    H    VAL   2           H        VAL   2  -0.309  -1.701  -3.185
    9    HA   VAL   2           HA       VAL   2   0.356  -4.355  -1.981
   10    HB   VAL   2           HB       VAL   2  -1.582  -3.947  -4.293
   11   HG11  VAL   2          HG11      VAL   2  -0.615  -6.495  -2.915
   12   HG12  VAL   2          HG12      VAL   2  -1.903  -6.407  -4.134
   13   HG13  VAL   2          HG13      VAL   2  -0.251  -6.003  -4.586
   14   HG21  VAL   2          HG21      VAL   2  -2.718  -3.454  -2.180
   15   HG22  VAL   2          HG22      VAL   2  -3.256  -5.014  -2.797
   16   HG23  VAL   2          HG23      VAL   2  -2.086  -4.954  -1.459
   17    H    GLU   3           H        GLU   3   2.157  -5.149  -2.765
   18    HA   GLU   3           HA       GLU   3   2.925  -4.828  -5.602
   19    HB2  GLU   3           HB2      GLU   3   4.612  -4.012  -3.214
   20    HB3  GLU   3           HB3      GLU   3   5.394  -4.711  -4.630
   21    HG2  GLU   3           HG2      GLU   3   3.592  -2.243  -4.798
   22    HG3  GLU   3           HG3      GLU   3   5.328  -2.192  -4.572
   23    H    VAL   4           H        VAL   4   4.005  -6.607  -6.439
   24    HA   VAL   4           HA       VAL   4   4.617  -8.917  -4.676
   25    HB   VAL   4           HB       VAL   4   2.918  -9.149  -7.195
   26   HG11  VAL   4          HG11      VAL   4   3.695 -11.219  -5.086
   27   HG12  VAL   4          HG12      VAL   4   2.564 -11.491  -6.427
   28   HG13  VAL   4          HG13      VAL   4   4.258 -11.183  -6.775
   29   HG21  VAL   4          HG21      VAL   4   1.509  -8.173  -5.447
   30   HG22  VAL   4          HG22      VAL   4   1.066  -9.859  -5.694
   31   HG23  VAL   4          HG23      VAL   4   2.050  -9.406  -4.285
   32    H    GLU   5           H        GLU   5   6.230 -10.291  -5.550
   33    HA   GLU   5           HA       GLU   5   8.101  -8.987  -7.355
   34    HB2  GLU   5           HB2      GLU   5   8.255 -11.706  -6.006
   35    HB3  GLU   5           HB3      GLU   5   9.580 -10.860  -6.805
   36    HG2  GLU   5           HG2      GLU   5   8.135 -10.002  -4.268
   37    HG3  GLU   5           HG3      GLU   5   9.765 -10.635  -4.396
   38    H    VAL   6           H        VAL   6   6.094  -9.173  -8.936
   39    HA   VAL   6           HA       VAL   6   5.819 -11.629 -10.441
   40    HB   VAL   6           HB       VAL   6   4.698  -8.843 -10.737
   41   HG11  VAL   6          HG11      VAL   6   4.216 -11.208 -12.613
   42   HG12  VAL   6          HG12      VAL   6   3.234  -9.728 -12.550
   43   HG13  VAL   6          HG13      VAL   6   4.917  -9.635 -13.063
   44   HG21  VAL   6          HG21      VAL   6   3.797 -10.343  -8.990
   45   HG22  VAL   6          HG22      VAL   6   2.601  -9.985 -10.240
   46   HG23  VAL   6          HG23      VAL   6   3.425 -11.560 -10.224
   47    HA   PRO   7           HA       PRO   7   8.426  -9.785 -13.890
   48    HB2  PRO   7           HB2      PRO   7   9.559  -7.355 -13.922
   49    HB3  PRO   7           HB3      PRO   7   7.807  -7.546 -14.186
   50    HG2  PRO   7           HG2      PRO   7   9.203  -6.897 -11.567
   51    HG3  PRO   7           HG3      PRO   7   7.847  -6.001 -12.332
   52    HD2  PRO   7           HD2      PRO   7   7.431  -7.889 -10.407
   53    HD3  PRO   7           HD3      PRO   7   6.301  -7.684 -11.781
   54    H    GLY   8           H        GLY   8  10.711  -9.522 -14.435
   55    HA2  GLY   8           HA2      GLY   8  12.959  -8.955 -13.169
   56    HA3  GLY   8           HA3      GLY   8  12.582 -10.429 -12.286
   57    H    LEU   9           H        LEU   9  14.815  -9.685 -14.200
   58    HA   LEU   9           HA       LEU   9  14.828 -12.268 -15.583
   59    HB2  LEU   9           HB2      LEU   9  15.449 -11.380 -17.784
   60    HB3  LEU   9           HB3      LEU   9  13.818 -11.040 -17.269
   61    HG   LEU   9           HG       LEU   9  14.512  -8.683 -16.721
   62   HD11  LEU   9          HD11      LEU   9  17.011  -9.441 -18.288
   63   HD12  LEU   9          HD12      LEU   9  16.504  -7.779 -17.910
   64   HD13  LEU   9          HD13      LEU   9  16.946  -8.885 -16.606
   65   HD21  LEU   9          HD21      LEU   9  13.304  -9.284 -18.774
   66   HD22  LEU   9          HD22      LEU   9  14.448  -7.968 -19.077
   67   HD23  LEU   9          HD23      LEU   9  14.845  -9.622 -19.592
   68    H    LEU  10           H        LEU  10  16.231 -11.471 -13.295
   69    HA   LEU  10           HA       LEU  10  19.013 -10.929 -13.855
   70    HB2  LEU  10           HB2      LEU  10  17.574 -12.294 -11.560
   71    HB3  LEU  10           HB3      LEU  10  19.313 -12.272 -11.647
   72    HG   LEU  10           HG       LEU  10  17.866  -9.643 -11.895
   73   HD11  LEU  10          HD11      LEU  10  18.386 -11.084  -9.262
   74   HD12  LEU  10          HD12      LEU  10  17.900  -9.382  -9.433
   75   HD13  LEU  10          HD13      LEU  10  16.798 -10.668  -9.945
   76   HD21  LEU  10          HD21      LEU  10  20.362  -9.775 -12.119
   77   HD22  LEU  10          HD22      LEU  10  19.850  -8.785 -10.739
   78   HD23  LEU  10          HD23      LEU  10  20.443 -10.431 -10.458
   79    H    THR  11           H        THR  11  20.297 -12.129 -15.038
   80    HA   THR  11           HA       THR  11  20.089 -15.096 -14.883
   81    HB   THR  11           HB       THR  11  20.772 -13.374 -17.279
   82    HG1  THR  11           HG1      THR  11  18.980 -14.384 -18.147
   83   HG21  THR  11          HG21      THR  11  21.019 -16.390 -16.915
   84   HG22  THR  11          HG22      THR  11  20.960 -15.583 -18.497
   85   HG23  THR  11          HG23      THR  11  22.291 -15.230 -17.392
   86    H    ASP  12           H        ASP  12  21.874 -16.242 -14.577
   87    HA   ASP  12           HA       ASP  12  24.296 -15.012 -13.591
   88    HB2  ASP  12           HB2      ASP  12  24.978 -17.296 -13.158
   89    HB3  ASP  12           HB3      ASP  12  23.363 -16.999 -12.551
   90    H    HIS  13           H        HIS  13  24.365 -13.830 -15.821
   91    HA   HIS  13           HA       HIS  13  25.860 -15.294 -17.915
   92    HB2  HIS  13           HB2      HIS  13  24.896 -12.437 -17.630
   93    HB3  HIS  13           HB3      HIS  13  26.011 -12.921 -18.903
   94    HD2  HIS  13           HD2      HIS  13  24.772 -15.526 -20.033
   95    HE1  HIS  13           HE1      HIS  13  21.200 -13.265 -20.598
   96    HE2  HIS  13           HE2      HIS  13  22.472 -15.356 -21.306
   97    H    THR  14           H        THR  14  27.043 -15.668 -15.539
   98    HA   THR  14           HA       THR  14  29.491 -14.042 -15.644
   99    HB   THR  14           HB       THR  14  29.593 -14.024 -13.177
  100    HG1  THR  14           HG1      THR  14  27.697 -14.517 -12.040
  101   HG21  THR  14          HG21      THR  14  26.958 -12.813 -14.087
  102   HG22  THR  14          HG22      THR  14  27.977 -12.309 -12.726
  103   HG23  THR  14          HG23      THR  14  28.548 -12.077 -14.386
  104    H    VAL  15           H        VAL  15  31.434 -15.119 -15.474
  105    HA   VAL  15           HA       VAL  15  31.372 -18.048 -14.903
  106    HB   VAL  15           HB       VAL  15  32.728 -18.484 -16.893
  107   HG11  VAL  15          HG11      VAL  15  30.094 -17.135 -17.560
  108   HG12  VAL  15          HG12      VAL  15  30.920 -18.413 -18.477
  109   HG13  VAL  15          HG13      VAL  15  30.272 -18.759 -16.863
  110   HG21  VAL  15          HG21      VAL  15  33.695 -16.242 -17.344
  111   HG22  VAL  15          HG22      VAL  15  32.845 -16.893 -18.750
  112   HG23  VAL  15          HG23      VAL  15  32.082 -15.629 -17.765
  113    H    SER  16           H        SER  16  32.253 -16.146 -13.128
  114    HA   SER  16           HA       SER  16  35.216 -16.671 -12.946
  115    HB2  SER  16           HB2      SER  16  35.168 -14.400 -13.420
  116    HB3  SER  16           HB3      SER  16  33.621 -14.155 -12.599
  117    HG   SER  16           HG       SER  16  36.187 -14.145 -11.540
  118    H    SER  17           H        SER  17  36.088 -16.950 -10.797
  119    HA   SER  17           HA       SER  17  34.470 -18.448  -8.988
  120    HB2  SER  17           HB2      SER  17  36.407 -18.207  -7.446
  121    HB3  SER  17           HB3      SER  17  36.862 -18.738  -9.076
  122    HG   SER  17           HG       SER  17  38.251 -17.070  -8.323
  123    H    ILE  18           H        ILE  18  35.353 -15.017  -8.998
  124    HA   ILE  18           HA       ILE  18  33.621 -14.439  -6.643
  125    HB   ILE  18           HB       ILE  18  34.394 -11.997  -7.336
  126   HG12  ILE  18          HG12      ILE  18  36.803 -13.607  -8.276
  127   HG13  ILE  18          HG13      ILE  18  35.589 -12.910  -9.359
  128   HG21  ILE  18          HG21      ILE  18  36.188 -13.947  -5.843
  129   HG22  ILE  18          HG22      ILE  18  36.171 -12.174  -5.669
  130   HG23  ILE  18          HG23      ILE  18  34.771 -13.108  -5.167
  131   HD11  ILE  18          HD11      ILE  18  37.129 -11.167  -7.470
  132   HD12  ILE  18          HD12      ILE  18  37.699 -11.612  -9.100
  133   HD13  ILE  18          HD13      ILE  18  36.185 -10.748  -8.924
  134    H    GLY  19           H        GLY  19  33.672 -13.789 -10.199
  135    HA2  GLY  19           HA2      GLY  19  31.357 -12.076 -10.091
  136    HA3  GLY  19           HA3      GLY  19  31.983 -12.882 -11.525
  137    H    HIS  20           H        HIS  20  31.589 -15.624 -10.303
  138    HA   HIS  20           HA       HIS  20  28.782 -16.097 -10.865
  139    HB2  HIS  20           HB2      HIS  20  30.512 -17.790 -11.256
  140    HB3  HIS  20           HB3      HIS  20  30.857 -17.856  -9.522
  141    HD2  HIS  20           HD2      HIS  20  29.391 -19.455  -8.066
  142    HE1  HIS  20           HE1      HIS  20  26.468 -20.538 -10.981
  143    HE2  HIS  20           HE2      HIS  20  27.346 -21.020  -8.639
  144    H    ASP  21           H        ASP  21  30.705 -15.605  -7.862
  145    HA   ASP  21           HA       ASP  21  28.467 -16.202  -6.095
  146    HB2  ASP  21           HB2      ASP  21  31.212 -14.969  -5.682
  147    HB3  ASP  21           HB3      ASP  21  29.999 -15.052  -4.413
  148    H    PHE  22           H        PHE  22  29.838 -13.185  -7.539
  149    HA   PHE  22           HA       PHE  22  28.231 -11.315  -6.144
  150    HB2  PHE  22           HB2      PHE  22  30.035 -10.749  -7.783
  151    HB3  PHE  22           HB3      PHE  22  28.995 -11.247  -9.093
  152    HD1  PHE  22           HD1      PHE  22  29.703  -8.537  -6.686
  153    HD2  PHE  22           HD2      PHE  22  26.875 -10.001  -9.574
  154    HE1  PHE  22           HE1      PHE  22  28.719  -6.270  -6.877
  155    HE2  PHE  22           HE2      PHE  22  25.833  -7.753  -9.705
  156    HZ   PHE  22           HZ       PHE  22  26.779  -5.881  -8.389
  157    H    TYR  23           H        TYR  23  27.356 -13.255  -9.034
  158    HA   TYR  23           HA       TYR  23  24.787 -12.180  -9.479
  159    HB2  TYR  23           HB2      TYR  23  25.779 -13.772 -11.025
  160    HB3  TYR  23           HB3      TYR  23  25.761 -15.041  -9.794
  161    HD1  TYR  23           HD1      TYR  23  23.851 -16.400  -9.433
  162    HD2  TYR  23           HD2      TYR  23  23.546 -12.841 -11.832
  163    HE1  TYR  23           HE1      TYR  23  21.491 -16.977  -9.976
  164    HE2  TYR  23           HE2      TYR  23  21.160 -13.362 -12.300
  165    HH   TYR  23           HH       TYR  23  19.550 -16.310 -11.050
  166    H    ARG  24           H        ARG  24  25.611 -14.956  -7.371
  167    HA   ARG  24           HA       ARG  24  22.914 -15.348  -6.406
  168    HB2  ARG  24           HB2      ARG  24  25.530 -16.263  -5.114
  169    HB3  ARG  24           HB3      ARG  24  23.908 -16.893  -4.812
  170    HG2  ARG  24           HG2      ARG  24  23.850 -17.495  -7.336
  171    HG3  ARG  24           HG3      ARG  24  25.572 -17.135  -7.350
  172    HD2  ARG  24           HD2      ARG  24  25.382 -19.484  -7.078
  173    HD3  ARG  24           HD3      ARG  24  25.909 -18.819  -5.520
  174    HE   ARG  24           HE       ARG  24  23.018 -19.053  -5.668
  175   HH11  ARG  24          HH11      ARG  24  25.851 -21.045  -5.098
  176   HH12  ARG  24          HH12      ARG  24  24.946 -22.229  -4.198
  177   HH21  ARG  24          HH21      ARG  24  21.933 -20.590  -4.494
  178   HH22  ARG  24          HH22      ARG  24  22.780 -21.973  -3.870
  179    H    ALA  25           H        ALA  25  25.743 -13.729  -4.966
  180    HA   ALA  25           HA       ALA  25  24.443 -12.998  -2.520
  181    HB1  ALA  25           HB1      ALA  25  26.766 -11.640  -3.962
  182    HB2  ALA  25           HB2      ALA  25  26.374 -11.526  -2.228
  183    HB3  ALA  25           HB3      ALA  25  26.922 -13.069  -2.908
  184    H    PHE  26           H        PHE  26  24.772 -11.157  -5.622
  185    HA   PHE  26           HA       PHE  26  23.463  -8.805  -4.683
  186    HB2  PHE  26           HB2      PHE  26  24.816  -8.871  -6.711
  187    HB3  PHE  26           HB3      PHE  26  23.740 -10.018  -7.465
  188    HD1  PHE  26           HD1      PHE  26  21.233  -9.213  -7.863
  189    HD2  PHE  26           HD2      PHE  26  24.553  -6.558  -7.127
  190    HE1  PHE  26           HE1      PHE  26  19.952  -7.348  -8.832
  191    HE2  PHE  26           HE2      PHE  26  23.280  -4.700  -8.192
  192    HZ   PHE  26           HZ       PHE  26  20.965  -5.103  -9.035
  193    H    SER  27           H        SER  27  22.122 -11.678  -6.434
  194    HA   SER  27           HA       SER  27  19.447 -10.678  -6.458
  195    HB2  SER  27           HB2      SER  27  18.756 -12.833  -7.196
  196    HB3  SER  27           HB3      SER  27  20.280 -12.413  -7.999
  197    HG   SER  27           HG       SER  27  20.232 -14.595  -7.221
  198    H    ASP  28           H        ASP  28  21.162 -12.584  -4.001
  199    HA   ASP  28           HA       ASP  28  18.937 -13.256  -2.363
  200    HB2  ASP  28           HB2      ASP  28  21.906 -12.879  -1.921
  201    HB3  ASP  28           HB3      ASP  28  20.857 -13.071  -0.534
  202    H    LYS  29           H        LYS  29  20.764 -10.183  -2.540
  203    HA   LYS  29           HA       LYS  29  18.834  -9.060  -0.539
  204    HB2  LYS  29           HB2      LYS  29  20.736  -7.177  -0.468
  205    HB3  LYS  29           HB3      LYS  29  20.562  -8.486   0.652
  206    HG2  LYS  29           HG2      LYS  29  22.355  -8.730  -1.784
  207    HG3  LYS  29           HG3      LYS  29  22.893  -7.889  -0.340
  208    HD2  LYS  29           HD2      LYS  29  22.077 -10.820  -0.403
  209    HD3  LYS  29           HD3      LYS  29  23.721 -10.191  -0.401
  210    HE2  LYS  29           HE2      LYS  29  23.304  -9.089   1.801
  211    HE3  LYS  29           HE3      LYS  29  21.672  -9.767   1.828
  212    HZ1  LYS  29           HZ1      LYS  29  24.179 -11.387   1.818
  213    HZ2  LYS  29           HZ2      LYS  29  23.215 -11.140   3.107
  214    HZ3  LYS  29           HZ3      LYS  29  22.661 -12.007   1.846
  215    H    TRP  30           H        TRP  30  19.120  -9.084  -3.771
  216    HA   TRP  30           HA       TRP  30  18.629  -6.400  -4.500
  217    HB2  TRP  30           HB2      TRP  30  19.200  -8.126  -6.112
  218    HB3  TRP  30           HB3      TRP  30  17.678  -8.965  -5.805
  219    HD1  TRP  30           HD1      TRP  30  15.951  -8.504  -7.602
  220    HE1  TRP  30           HE1      TRP  30  15.334  -6.579  -9.180
  221    HE3  TRP  30           HE3      TRP  30  19.522  -5.117  -6.183
  222    HZ2  TRP  30           HZ2      TRP  30  16.241  -3.894  -9.721
  223    HZ3  TRP  30           HZ3      TRP  30  19.568  -2.860  -7.180
  224    HH2  TRP  30           HH2      TRP  30  17.955  -2.227  -8.960
  225    H    GLU  31           H        GLU  31  16.985  -5.061  -4.453
  226    HA   GLU  31           HA       GLU  31  14.198  -5.847  -4.385
  227    HB2  GLU  31           HB2      GLU  31  14.815  -5.963  -1.956
  228    HB3  GLU  31           HB3      GLU  31  15.364  -4.287  -2.027
  229    HG2  GLU  31           HG2      GLU  31  13.071  -3.550  -2.590
  230    HG3  GLU  31           HG3      GLU  31  12.526  -5.228  -2.629
  231    H    SER  32           H        SER  32  12.969  -4.191  -5.369
  232    HA   SER  32           HA       SER  32  14.117  -1.497  -5.692
  233    HB2  SER  32           HB2      SER  32  14.156  -1.559  -8.095
  234    HB3  SER  32           HB3      SER  32  15.257  -2.753  -7.425
  235    HG   SER  32           HG       SER  32  13.675  -4.368  -7.874
  236    H    ASP  33           H        ASP  33  12.736   0.059  -6.635
  237    HA   ASP  33           HA       ASP  33   9.869  -0.474  -6.185
  238    HB2  ASP  33           HB2      ASP  33  11.107   1.473  -5.209
  239    HB3  ASP  33           HB3      ASP  33  11.300   2.119  -6.840
  240    H    TYR  34           H        TYR  34  11.942  -0.249  -8.939
  241    HA   TYR  34           HA       TYR  34   9.772   0.407 -10.836
  242    HB2  TYR  34           HB2      TYR  34  11.396   0.817 -12.418
  243    HB3  TYR  34           HB3      TYR  34  12.083   1.468 -10.956
  244    HD1  TYR  34           HD1      TYR  34  12.709  -0.600 -13.813
  245    HD2  TYR  34           HD2      TYR  34  13.787  -0.064  -9.665
  246    HE1  TYR  34           HE1      TYR  34  14.631  -2.090 -14.124
  247    HE2  TYR  34           HE2      TYR  34  15.724  -1.590  -9.980
  248    HH   TYR  34           HH       TYR  34  16.450  -3.107 -13.149
  249    H    THR  35           H        THR  35  10.480  -1.082 -13.042
  250    HA   THR  35           HA       THR  35   9.115  -3.531 -12.506
  251    HB   THR  35           HB       THR  35  10.514  -3.054 -15.114
  252    HG1  THR  35           HG1      THR  35   8.913  -1.544 -15.680
  253   HG21  THR  35          HG21      THR  35   7.639  -3.814 -14.379
  254   HG22  THR  35          HG22      THR  35   8.308  -3.744 -16.026
  255   HG23  THR  35          HG23      THR  35   8.903  -4.954 -14.888
  256    H    GLY  36           H        GLY  36  12.416  -2.976 -12.026
  257    HA2  GLY  36           HA2      GLY  36  14.122  -4.399 -11.513
  258    HA3  GLY  36           HA3      GLY  36  12.866  -5.624 -11.251
  259    H    ASN  37           H        ASN  37  13.412  -4.296 -14.446
  260    HA   ASN  37           HA       ASN  37  14.123  -6.976 -15.405
  261    HB2  ASN  37           HB2      ASN  37  13.668  -4.420 -16.968
  262    HB3  ASN  37           HB3      ASN  37  13.842  -6.046 -17.634
  263   HD21  ASN  37          HD21      ASN  37  10.550  -7.063 -16.418
  264   HD22  ASN  37          HD22      ASN  37  12.188  -7.693 -16.338
  265    H    LEU  38           H        LEU  38  16.137  -6.872 -14.142
  266    HA   LEU  38           HA       LEU  38  18.376  -5.758 -15.775
  267    HB2  LEU  38           HB2      LEU  38  19.614  -5.160 -13.955
  268    HB3  LEU  38           HB3      LEU  38  18.010  -4.566 -13.576
  269    HG   LEU  38           HG       LEU  38  19.382  -7.032 -12.393
  270   HD11  LEU  38          HD11      LEU  38  18.657  -4.308 -11.282
  271   HD12  LEU  38          HD12      LEU  38  19.165  -5.674 -10.283
  272   HD13  LEU  38          HD13      LEU  38  20.285  -5.020 -11.473
  273   HD21  LEU  38          HD21      LEU  38  16.944  -7.455 -12.426
  274   HD22  LEU  38          HD22      LEU  38  17.527  -7.149 -10.796
  275   HD23  LEU  38          HD23      LEU  38  16.665  -5.862 -11.666
  276    H    THR  39           H        THR  39  20.346  -6.832 -15.901
  277    HA   THR  39           HA       THR  39  20.527  -9.570 -14.764
  278    HB   THR  39           HB       THR  39  19.662  -9.738 -17.104
  279    HG1  THR  39           HG1      THR  39  21.435 -11.322 -17.529
  280   HG21  THR  39          HG21      THR  39  22.486  -8.923 -17.892
  281   HG22  THR  39          HG22      THR  39  21.205  -9.539 -18.956
  282   HG23  THR  39          HG23      THR  39  21.012  -7.963 -18.178
  283    H    ILE  40           H        ILE  40  22.765 -10.452 -14.959
  284    HA   ILE  40           HA       ILE  40  24.739  -8.284 -14.272
  285    HB   ILE  40           HB       ILE  40  24.259 -10.968 -12.954
  286   HG12  ILE  40          HG12      ILE  40  24.062  -8.208 -11.663
  287   HG13  ILE  40          HG13      ILE  40  22.667  -9.003 -12.379
  288   HG21  ILE  40          HG21      ILE  40  26.325  -8.890 -12.085
  289   HG22  ILE  40          HG22      ILE  40  26.088 -10.550 -11.475
  290   HG23  ILE  40          HG23      ILE  40  26.733 -10.303 -13.071
  291   HD11  ILE  40          HD11      ILE  40  24.312 -10.128 -10.096
  292   HD12  ILE  40          HD12      ILE  40  22.684  -9.430 -10.017
  293   HD13  ILE  40          HD13      ILE  40  22.931 -10.937 -10.894
  294    H    ASN  41           H        ASN  41  26.550  -8.355 -15.397
  295    HA   ASN  41           HA       ASN  41  27.284 -10.816 -16.918
  296    HB2  ASN  41           HB2      ASN  41  27.779  -7.951 -17.805
  297    HB3  ASN  41           HB3      ASN  41  27.888  -9.419 -18.761
  298   HD21  ASN  41          HD21      ASN  41  24.273  -7.509 -18.267
  299   HD22  ASN  41          HD22      ASN  41  25.650  -7.112 -17.242
  300    H    GLU  42           H        GLU  42  29.554 -11.366 -16.817
  301    HA   GLU  42           HA       GLU  42  31.302  -9.285 -15.646
  302    HB2  GLU  42           HB2      GLU  42  32.366 -10.707 -14.110
  303    HB3  GLU  42           HB3      GLU  42  30.657 -11.009 -13.921
  304    HG2  GLU  42           HG2      GLU  42  31.422 -13.154 -13.917
  305    HG3  GLU  42           HG3      GLU  42  31.127 -12.937 -15.650
  306    H    ARG  43           H        ARG  43  33.499  -9.318 -16.169
  307    HA   ARG  43           HA       ARG  43  34.231 -11.043 -18.481
  308    HB2  ARG  43           HB2      ARG  43  33.964  -8.598 -19.127
  309    HB3  ARG  43           HB3      ARG  43  35.314  -8.248 -18.060
  310    HG2  ARG  43           HG2      ARG  43  36.274  -8.408 -20.196
  311    HG3  ARG  43           HG3      ARG  43  36.699  -9.933 -19.408
  312    HD2  ARG  43           HD2      ARG  43  34.802 -11.044 -20.619
  313    HD3  ARG  43           HD3      ARG  43  34.411  -9.487 -21.380
  314    HE   ARG  43           HE       ARG  43  37.168 -10.178 -21.844
  315   HH11  ARG  43          HH11      ARG  43  33.974 -11.074 -22.995
  316   HH12  ARG  43          HH12      ARG  43  34.574 -11.575 -24.549
  317   HH21  ARG  43          HH21      ARG  43  37.864 -10.837 -23.850
  318   HH22  ARG  43          HH22      ARG  43  36.724 -11.444 -25.011
  319    HA   PRO  44           HA       PRO  44  37.104 -12.265 -15.300
  320    HB2  PRO  44           HB2      PRO  44  37.993 -14.585 -16.403
  321    HB3  PRO  44           HB3      PRO  44  36.342 -14.406 -15.746
  322    HG2  PRO  44           HG2      PRO  44  37.255 -14.190 -18.631
  323    HG3  PRO  44           HG3      PRO  44  35.864 -15.122 -17.976
  324    HD2  PRO  44           HD2      PRO  44  35.577 -12.636 -19.060
  325    HD3  PRO  44           HD3      PRO  44  34.565 -13.199 -17.699
  326    H    SER  45           H        SER  45  39.054 -11.413 -14.969
  327    HA   SER  45           HA       SER  45  40.992 -11.032 -17.207
  328    HB2  SER  45           HB2      SER  45  39.837  -8.879 -15.388
  329    HB3  SER  45           HB3      SER  45  41.249  -8.659 -16.439
  330    HG   SER  45           HG       SER  45  39.356  -7.942 -17.493
  331    H    ALA  46           H        ALA  46  42.338 -12.577 -16.271
  332    HA   ALA  46           HA       ALA  46  42.783 -12.898 -13.546
  333    HB1  ALA  46           HB1      ALA  46  44.558 -13.727 -15.888
  334    HB2  ALA  46           HB2      ALA  46  44.572 -14.452 -14.266
  335    HB3  ALA  46           HB3      ALA  46  43.135 -14.614 -15.289
  336    H    ARG  47           H        ARG  47  44.194 -10.435 -15.419
  337    HA   ARG  47           HA       ARG  47  46.520  -9.741 -13.919
  338    HB2  ARG  47           HB2      ARG  47  46.129  -7.475 -14.724
  339    HB3  ARG  47           HB3      ARG  47  45.847  -8.642 -16.013
  340    HG2  ARG  47           HG2      ARG  47  43.359  -8.478 -15.531
  341    HG3  ARG  47           HG3      ARG  47  43.700  -7.182 -14.384
  342    HD2  ARG  47           HD2      ARG  47  44.438  -7.115 -17.340
  343    HD3  ARG  47           HD3      ARG  47  42.970  -6.402 -16.646
  344    HE   ARG  47           HE       ARG  47  45.115  -5.320 -15.183
  345   HH11  ARG  47          HH11      ARG  47  43.995  -5.150 -18.517
  346   HH12  ARG  47          HH12      ARG  47  44.684  -3.574 -18.767
  347   HH21  ARG  47          HH21      ARG  47  45.980  -3.292 -15.584
  348   HH22  ARG  47          HH22      ARG  47  45.766  -2.560 -17.147
  349    H    ALA  48           H        ALA  48  43.139  -9.542 -12.970
  350    HA   ALA  48           HA       ALA  48  43.916  -8.635 -10.264
  351    HB1  ALA  48           HB1      ALA  48  42.198  -7.005 -12.181
  352    HB2  ALA  48           HB2      ALA  48  42.265  -6.716 -10.432
  353    HB3  ALA  48           HB3      ALA  48  43.724  -6.525 -11.419
  354    H    GLY  49           H        GLY  49  41.332 -10.007 -12.350
  355    HA2  GLY  49           HA2      GLY  49  40.062 -11.695 -10.698
  356    HA3  GLY  49           HA3      GLY  49  39.454 -10.172 -10.055
  357    H    SER  50           H        SER  50  37.594  -9.400 -10.946
  358    HA   SER  50           HA       SER  50  36.975 -10.003 -13.785
  359    HB2  SER  50           HB2      SER  50  34.589 -10.402 -13.147
  360    HB3  SER  50           HB3      SER  50  35.706 -11.707 -12.722
  361    HG   SER  50           HG       SER  50  34.399 -11.345 -10.975
  362    H    TRP  51           H        TRP  51  35.785  -8.523 -14.880
  363    HA   TRP  51           HA       TRP  51  35.007  -5.973 -13.530
  364    HB2  TRP  51           HB2      TRP  51  35.287  -6.893 -16.361
  365    HB3  TRP  51           HB3      TRP  51  33.926  -5.846 -16.021
  366    HD1  TRP  51           HD1      TRP  51  37.554  -5.716 -16.711
  367    HE1  TRP  51           HE1      TRP  51  38.424  -3.311 -16.534
  368    HE3  TRP  51           HE3      TRP  51  33.475  -3.561 -14.488
  369    HZ2  TRP  51           HZ2      TRP  51  37.421  -0.737 -15.646
  370    HZ3  TRP  51           HZ3      TRP  51  33.463  -1.119 -14.000
  371    HH2  TRP  51           HH2      TRP  51  35.405   0.293 -14.580
  372    H    ILE  52           H        ILE  52  32.951  -5.728 -12.784
  373    HA   ILE  52           HA       ILE  52  30.834  -7.680 -13.632
  374    HB   ILE  52           HB       ILE  52  30.924  -5.952 -11.128
  375   HG12  ILE  52          HG12      ILE  52  32.583  -7.680 -10.851
  376   HG13  ILE  52          HG13      ILE  52  31.179  -8.027  -9.855
  377   HG21  ILE  52          HG21      ILE  52  28.933  -8.068 -12.079
  378   HG22  ILE  52          HG22      ILE  52  28.985  -7.381 -10.442
  379   HG23  ILE  52          HG23      ILE  52  28.627  -6.335 -11.809
  380   HD11  ILE  52          HD11      ILE  52  31.733  -9.338 -12.543
  381   HD12  ILE  52          HD12      ILE  52  32.153 -10.041 -10.991
  382   HD13  ILE  52          HD13      ILE  52  30.442  -9.783 -11.411
  383    H    THR  53           H        THR  53  29.197  -6.922 -14.759
  384    HA   THR  53           HA       THR  53  28.689  -3.974 -14.937
  385    HB   THR  53           HB       THR  53  28.952  -5.896 -17.287
  386    HG1  THR  53           HG1      THR  53  30.807  -4.704 -17.742
  387   HG21  THR  53          HG21      THR  53  28.562  -2.872 -17.219
  388   HG22  THR  53          HG22      THR  53  28.779  -3.862 -18.673
  389   HG23  THR  53          HG23      THR  53  27.311  -4.043 -17.698
  390    H    ILE  54           H        ILE  54  26.630  -3.630 -14.379
  391    HA   ILE  54           HA       ILE  54  24.618  -5.789 -14.836
  392    HB   ILE  54           HB       ILE  54  24.753  -5.381 -12.583
  393   HG12  ILE  54          HG12      ILE  54  22.430  -5.577 -13.440
  394   HG13  ILE  54          HG13      ILE  54  22.622  -4.800 -11.881
  395   HG21  ILE  54          HG21      ILE  54  24.646  -2.412 -13.147
  396   HG22  ILE  54          HG22      ILE  54  24.395  -3.120 -11.530
  397   HG23  ILE  54          HG23      ILE  54  25.937  -3.353 -12.362
  398   HD11  ILE  54          HD11      ILE  54  21.895  -3.414 -14.494
  399   HD12  ILE  54          HD12      ILE  54  20.930  -3.586 -13.046
  400   HD13  ILE  54          HD13      ILE  54  22.354  -2.556 -13.008
  401    H    THR  55           H        THR  55  23.062  -5.586 -16.212
  402    HA   THR  55           HA       THR  55  22.696  -2.976 -17.605
  403    HB   THR  55           HB       THR  55  22.137  -4.381 -19.634
  404    HG1  THR  55           HG1      THR  55  22.583  -6.493 -19.613
  405   HG21  THR  55          HG21      THR  55  24.967  -4.627 -18.495
  406   HG22  THR  55          HG22      THR  55  24.511  -5.007 -20.167
  407   HG23  THR  55          HG23      THR  55  24.345  -3.356 -19.573
  408    H    VAL  56           H        VAL  56  20.664  -2.280 -18.027
  409    HA   VAL  56           HA       VAL  56  18.361  -3.870 -16.956
  410    HB   VAL  56           HB       VAL  56  18.781  -0.886 -17.215
  411   HG11  VAL  56          HG11      VAL  56  16.124  -2.352 -16.808
  412   HG12  VAL  56          HG12      VAL  56  16.400  -0.629 -16.461
  413   HG13  VAL  56          HG13      VAL  56  16.535  -1.214 -18.119
  414   HG21  VAL  56          HG21      VAL  56  19.455  -2.203 -15.153
  415   HG22  VAL  56          HG22      VAL  56  18.210  -0.974 -14.843
  416   HG23  VAL  56          HG23      VAL  56  17.762  -2.685 -14.965
  417    H    ASN  57           H        ASN  57  17.302  -4.893 -18.366
  418    HA   ASN  57           HA       ASN  57  16.626  -5.868 -20.280
  419    HB2  ASN  57           HB2      ASN  57  16.279  -3.029 -21.320
  420    HB3  ASN  57           HB3      ASN  57  15.654  -4.485 -22.072
  421   HD21  ASN  57          HD21      ASN  57  13.519  -2.817 -19.133
  422   HD22  ASN  57          HD22      ASN  57  14.952  -2.054 -19.811
  423    H    GLN  58           H        GLN  58  18.418  -3.177 -21.736
  424    HA   GLN  58           HA       GLN  58  20.486  -4.982 -22.849
  425    HB2  GLN  58           HB2      GLN  58  20.134  -4.120 -25.129
  426    HB3  GLN  58           HB3      GLN  58  18.739  -5.007 -24.527
  427    HG2  GLN  58           HG2      GLN  58  17.502  -2.945 -24.108
  428    HG3  GLN  58           HG3      GLN  58  18.915  -1.963 -24.492
  429   HE21  GLN  58          HE21      GLN  58  18.540  -2.365 -28.056
  430   HE22  GLN  58          HE22      GLN  58  19.714  -2.009 -26.797
  431    H    ASP  59           H        ASP  59  20.033  -2.364 -21.024
  432    HA   ASP  59           HA       ASP  59  22.200  -0.685 -22.259
  433    HB2  ASP  59           HB2      ASP  59  19.743   0.057 -20.632
  434    HB3  ASP  59           HB3      ASP  59  21.067   1.165 -20.951
  435    H    VAL  60           H        VAL  60  24.018  -0.318 -21.060
  436    HA   VAL  60           HA       VAL  60  24.222  -1.478 -18.375
  437    HB   VAL  60           HB       VAL  60  26.139  -1.620 -19.840
  438   HG11  VAL  60          HG11      VAL  60  26.379   1.414 -19.694
  439   HG12  VAL  60          HG12      VAL  60  27.541   0.293 -20.423
  440   HG13  VAL  60          HG13      VAL  60  25.938   0.478 -21.139
  441   HG21  VAL  60          HG21      VAL  60  26.489  -1.522 -17.374
  442   HG22  VAL  60          HG22      VAL  60  27.869  -0.913 -18.311
  443   HG23  VAL  60          HG23      VAL  60  26.791   0.230 -17.509
  444    H    ILE  61           H        ILE  61  24.203  -0.555 -16.452
  445    HA   ILE  61           HA       ILE  61  23.859   2.423 -16.280
  446    HB   ILE  61           HB       ILE  61  22.348   1.927 -14.323
  447   HG12  ILE  61          HG12      ILE  61  21.702  -0.701 -15.657
  448   HG13  ILE  61          HG13      ILE  61  22.863  -0.607 -14.323
  449   HG21  ILE  61          HG21      ILE  61  21.296   1.244 -17.089
  450   HG22  ILE  61          HG22      ILE  61  20.367   1.932 -15.735
  451   HG23  ILE  61          HG23      ILE  61  21.640   2.885 -16.495
  452   HD11  ILE  61          HD11      ILE  61  20.009   0.441 -14.140
  453   HD12  ILE  61          HD12      ILE  61  20.556  -1.125 -13.556
  454   HD13  ILE  61          HD13      ILE  61  21.217   0.356 -12.841
  455    H    PHE  62           H        PHE  62  25.293  -0.465 -14.821
  456    HA   PHE  62           HA       PHE  62  27.077   1.314 -13.361
  457    HB2  PHE  62           HB2      PHE  62  25.407   1.164 -11.680
  458    HB3  PHE  62           HB3      PHE  62  25.173  -0.552 -11.910
  459    HD1  PHE  62           HD1      PHE  62  27.688   2.022 -10.834
  460    HD2  PHE  62           HD2      PHE  62  26.474  -2.108 -10.530
  461    HE1  PHE  62           HE1      PHE  62  29.486   1.605  -9.179
  462    HE2  PHE  62           HE2      PHE  62  28.317  -2.523  -8.899
  463    HZ   PHE  62           HZ       PHE  62  29.798  -0.666  -8.218
  464    H    GLN  63           H        GLN  63  29.018   0.402 -12.855
  465    HA   GLN  63           HA       GLN  63  29.489  -2.415 -13.153
  466    HB2  GLN  63           HB2      GLN  63  31.149  -2.293 -14.974
  467    HB3  GLN  63           HB3      GLN  63  29.522  -1.885 -15.504
  468    HG2  GLN  63           HG2      GLN  63  30.115   0.543 -15.426
  469    HG3  GLN  63           HG3      GLN  63  31.773   0.102 -15.006
  470   HE21  GLN  63          HE21      GLN  63  32.369  -1.343 -18.340
  471   HE22  GLN  63          HE22      GLN  63  32.616  -1.806 -16.668
  472    H    THR  64           H        THR  64  31.444  -3.124 -12.304
  473    HA   THR  64           HA       THR  64  33.404  -1.225 -11.204
  474    HB   THR  64           HB       THR  64  31.553  -1.139  -9.584
  475    HG1  THR  64           HG1      THR  64  32.891  -1.411  -7.827
  476   HG21  THR  64          HG21      THR  64  32.166  -4.065  -8.961
  477   HG22  THR  64          HG22      THR  64  30.973  -3.009  -8.171
  478   HG23  THR  64          HG23      THR  64  30.721  -3.516  -9.842
  479    H    PHE  65           H        PHE  65  35.146  -2.399  -9.977
  480    HA   PHE  65           HA       PHE  65  35.722  -4.985 -11.337
  481    HB2  PHE  65           HB2      PHE  65  37.256  -2.775 -11.279
  482    HB3  PHE  65           HB3      PHE  65  37.837  -3.537  -9.807
  483    HD1  PHE  65           HD1      PHE  65  38.098  -3.400 -13.364
  484    HD2  PHE  65           HD2      PHE  65  38.532  -6.083 -10.022
  485    HE1  PHE  65           HE1      PHE  65  39.431  -4.950 -14.775
  486    HE2  PHE  65           HE2      PHE  65  39.773  -7.664 -11.452
  487    HZ   PHE  65           HZ       PHE  65  40.223  -7.097 -13.854
  488    H    LEU  66           H        LEU  66  35.790  -6.850 -10.237
  489    HA   LEU  66           HA       LEU  66  35.736  -6.840  -7.255
  490    HB2  LEU  66           HB2      LEU  66  34.691  -8.752  -9.331
  491    HB3  LEU  66           HB3      LEU  66  35.151  -9.341  -7.744
  492    HG   LEU  66           HG       LEU  66  32.981  -7.302  -8.262
  493   HD11  LEU  66          HD11      LEU  66  32.903 -10.163  -7.172
  494   HD12  LEU  66          HD12      LEU  66  31.539  -9.123  -7.620
  495   HD13  LEU  66          HD13      LEU  66  32.617  -9.763  -8.864
  496   HD21  LEU  66          HD21      LEU  66  33.945  -6.838  -6.046
  497   HD22  LEU  66          HD22      LEU  66  32.430  -7.729  -5.835
  498   HD23  LEU  66          HD23      LEU  66  33.984  -8.569  -5.664
  499    H    PHE  67           H        PHE  67  37.198  -7.914  -6.109
  500    HA   PHE  67           HA       PHE  67  39.529  -9.159  -7.531
  501    HB2  PHE  67           HB2      PHE  67  39.561  -7.513  -4.993
  502    HB3  PHE  67           HB3      PHE  67  40.956  -8.231  -5.785
  503    HD1  PHE  67           HD1      PHE  67  38.368  -5.565  -5.987
  504    HD2  PHE  67           HD2      PHE  67  42.027  -7.116  -7.669
  505    HE1  PHE  67           HE1      PHE  67  38.682  -3.454  -7.246
  506    HE2  PHE  67           HE2      PHE  67  42.361  -4.974  -8.889
  507    HZ   PHE  67           HZ       PHE  67  40.678  -3.157  -8.707
  508    HA   PRO  68           HA       PRO  68  38.348 -12.619  -4.980
  509    HB2  PRO  68           HB2      PRO  68  40.227 -14.444  -5.711
  510    HB3  PRO  68           HB3      PRO  68  38.975 -13.839  -6.844
  511    HG2  PRO  68           HG2      PRO  68  41.825 -12.816  -6.522
  512    HG3  PRO  68           HG3      PRO  68  41.004 -13.322  -8.041
  513    HD2  PRO  68           HD2      PRO  68  41.154 -10.743  -7.282
  514    HD3  PRO  68           HD3      PRO  68  39.679 -11.402  -8.057
  515    H    LEU  69           H        LEU  69  41.690 -11.371  -4.698
  516    HA   LEU  69           HA       LEU  69  42.167 -12.785  -2.156
  517    HB2  LEU  69           HB2      LEU  69  43.786 -11.039  -4.016
  518    HB3  LEU  69           HB3      LEU  69  44.291 -11.158  -2.354
  519    HG   LEU  69           HG       LEU  69  45.519 -12.687  -3.762
  520   HD11  LEU  69          HD11      LEU  69  43.753 -14.264  -1.846
  521   HD12  LEU  69          HD12      LEU  69  45.386 -14.668  -2.394
  522   HD13  LEU  69          HD13      LEU  69  45.133 -13.247  -1.369
  523   HD21  LEU  69          HD21      LEU  69  43.830 -13.254  -5.445
  524   HD22  LEU  69          HD22      LEU  69  44.529 -14.706  -4.720
  525   HD23  LEU  69          HD23      LEU  69  42.907 -14.183  -4.233
  526    H    LYS  70           H        LYS  70  40.713  -9.834  -3.014
  527    HA   LYS  70           HA       LYS  70  41.326  -8.485  -0.427
  528    HB2  LYS  70           HB2      LYS  70  39.665  -7.484  -2.763
  529    HB3  LYS  70           HB3      LYS  70  40.149  -6.555  -1.347
  530    HG2  LYS  70           HG2      LYS  70  42.559  -6.881  -1.998
  531    HG3  LYS  70           HG3      LYS  70  42.007  -7.662  -3.490
  532    HD2  LYS  70           HD2      LYS  70  40.706  -5.552  -4.028
  533    HD3  LYS  70           HD3      LYS  70  41.452  -4.793  -2.612
  534    HE2  LYS  70           HE2      LYS  70  43.704  -5.190  -3.570
  535    HE3  LYS  70           HE3      LYS  70  42.986  -5.999  -4.970
  536    HZ1  LYS  70           HZ1      LYS  70  42.546  -3.139  -4.245
  537    HZ2  LYS  70           HZ2      LYS  70  43.504  -3.664  -5.454
  538    HZ3  LYS  70           HZ3      LYS  70  41.889  -3.884  -5.548
  539    H    ARG  71           H        ARG  71  39.580  -7.537   0.811
  540    HA   ARG  71           HA       ARG  71  37.288  -9.428   1.125
  541    HB2  ARG  71           HB2      ARG  71  37.273  -8.913   3.454
  542    HB3  ARG  71           HB3      ARG  71  38.883  -9.403   2.936
  543    HG2  ARG  71           HG2      ARG  71  39.622  -7.021   2.946
  544    HG3  ARG  71           HG3      ARG  71  38.001  -6.526   3.477
  545    HD2  ARG  71           HD2      ARG  71  38.255  -7.908   5.519
  546    HD3  ARG  71           HD3      ARG  71  39.871  -8.408   4.977
  547    HE   ARG  71           HE       ARG  71  39.770  -5.557   5.027
  548   HH11  ARG  71          HH11      ARG  71  39.826  -8.195   7.329
  549   HH12  ARG  71          HH12      ARG  71  40.576  -7.228   8.569
  550   HH21  ARG  71          HH21      ARG  71  40.726  -4.369   6.649
  551   HH22  ARG  71          HH22      ARG  71  41.070  -5.108   8.183
  552    H    ASP  72           H        ASP  72  37.379  -6.877  -0.607
  553    HA   ASP  72           HA       ASP  72  35.203  -5.291   0.519
  554    HB2  ASP  72           HB2      ASP  72  35.322  -3.962  -1.416
  555    HB3  ASP  72           HB3      ASP  72  36.961  -4.330  -0.931
  556    H    PHE  73           H        PHE  73  35.221  -8.231  -1.329
  557    HA   PHE  73           HA       PHE  73  33.295  -7.934  -3.209
  558    HB2  PHE  73           HB2      PHE  73  34.478  -9.967  -3.039
  559    HB3  PHE  73           HB3      PHE  73  33.911 -10.302  -1.413
  560    HD1  PHE  73           HD1      PHE  73  33.203 -10.676  -4.960
  561    HD2  PHE  73           HD2      PHE  73  31.527 -11.026  -0.995
  562    HE1  PHE  73           HE1      PHE  73  31.290 -11.970  -5.879
  563    HE2  PHE  73           HE2      PHE  73  29.606 -12.281  -1.922
  564    HZ   PHE  73           HZ       PHE  73  29.462 -12.719  -4.345
  565    H    GLU  74           H        GLU  74  32.424  -8.738   0.198
  566    HA   GLU  74           HA       GLU  74  29.608  -8.814  -0.254
  567    HB2  GLU  74           HB2      GLU  74  31.019  -9.584   1.770
  568    HB3  GLU  74           HB3      GLU  74  30.919  -7.909   2.330
  569    HG2  GLU  74           HG2      GLU  74  28.418  -8.078   2.267
  570    HG3  GLU  74           HG3      GLU  74  28.571  -9.751   1.711
  571    H    LYS  75           H        LYS  75  31.746  -6.142   0.583
  572    HA   LYS  75           HA       LYS  75  29.669  -4.151   1.031
  573    HB2  LYS  75           HB2      LYS  75  32.669  -3.742   0.472
  574    HB3  LYS  75           HB3      LYS  75  31.513  -2.541   1.046
  575    HG2  LYS  75           HG2      LYS  75  32.236  -3.130   3.108
  576    HG3  LYS  75           HG3      LYS  75  31.068  -4.434   2.938
  577    HD2  LYS  75           HD2      LYS  75  33.158  -5.734   1.863
  578    HD3  LYS  75           HD3      LYS  75  34.086  -4.478   2.698
  579    HE2  LYS  75           HE2      LYS  75  32.760  -5.126   4.815
  580    HE3  LYS  75           HE3      LYS  75  32.126  -6.495   3.892
  581    HZ1  LYS  75           HZ1      LYS  75  34.981  -5.985   4.579
  582    HZ2  LYS  75           HZ2      LYS  75  34.062  -7.225   5.108
  583    HZ3  LYS  75           HZ3      LYS  75  34.535  -7.160   3.530
  584    H    THR  76           H        THR  76  31.827  -4.920  -1.695
  585    HA   THR  76           HA       THR  76  30.770  -3.055  -3.574
  586    HB   THR  76           HB       THR  76  32.206  -5.712  -3.910
  587    HG1  THR  76           HG1      THR  76  33.917  -4.467  -3.838
  588   HG21  THR  76          HG21      THR  76  31.475  -3.617  -6.007
  589   HG22  THR  76          HG22      THR  76  32.768  -4.834  -6.216
  590   HG23  THR  76          HG23      THR  76  31.082  -5.346  -6.038
  591    H    VAL  77           H        VAL  77  29.651  -6.397  -2.815
  592    HA   VAL  77           HA       VAL  77  27.539  -6.454  -4.784
  593    HB   VAL  77           HB       VAL  77  27.898  -7.889  -2.132
  594   HG11  VAL  77          HG11      VAL  77  25.642  -8.211  -4.153
  595   HG12  VAL  77          HG12      VAL  77  26.004  -9.349  -2.837
  596   HG13  VAL  77          HG13      VAL  77  25.466  -7.726  -2.448
  597   HG21  VAL  77          HG21      VAL  77  29.325  -8.525  -4.158
  598   HG22  VAL  77          HG22      VAL  77  28.332  -9.820  -3.486
  599   HG23  VAL  77          HG23      VAL  77  27.811  -8.989  -4.967
  600    H    VAL  78           H        VAL  78  27.432  -5.497  -1.288
  601    HA   VAL  78           HA       VAL  78  24.672  -4.747  -1.352
  602    HB   VAL  78           HB       VAL  78  26.942  -3.908   0.486
  603   HG11  VAL  78          HG11      VAL  78  23.948  -3.394   0.813
  604   HG12  VAL  78          HG12      VAL  78  25.163  -3.217   2.098
  605   HG13  VAL  78          HG13      VAL  78  25.228  -2.163   0.688
  606   HG21  VAL  78          HG21      VAL  78  26.259  -6.326   0.512
  607   HG22  VAL  78          HG22      VAL  78  25.905  -5.501   2.032
  608   HG23  VAL  78          HG23      VAL  78  24.595  -5.829   0.874
  609    H    ALA  79           H        ALA  79  27.609  -2.848  -2.027
  610    HA   ALA  79           HA       ALA  79  26.256  -0.317  -2.273
  611    HB1  ALA  79           HB1      ALA  79  28.920  -1.327  -3.360
  612    HB2  ALA  79           HB2      ALA  79  28.437   0.384  -3.184
  613    HB3  ALA  79           HB3      ALA  79  28.650  -0.635  -1.746
  614    H    ALA  80           H        ALA  80  26.932  -2.944  -4.639
  615    HA   ALA  80           HA       ALA  80  26.182  -1.441  -6.969
  616    HB1  ALA  80           HB1      ALA  80  26.001  -4.448  -6.436
  617    HB2  ALA  80           HB2      ALA  80  26.025  -3.646  -8.021
  618    HB3  ALA  80           HB3      ALA  80  27.462  -3.592  -6.974
  619    H    LEU  81           H        LEU  81  24.242  -2.991  -4.452
  620    HA   LEU  81           HA       LEU  81  21.762  -3.200  -5.921
  621    HB2  LEU  81           HB2      LEU  81  22.025  -2.603  -2.947
  622    HB3  LEU  81           HB3      LEU  81  20.681  -3.365  -3.769
  623    HG   LEU  81           HG       LEU  81  23.432  -4.594  -3.442
  624   HD11  LEU  81          HD11      LEU  81  20.886  -5.137  -1.896
  625   HD12  LEU  81          HD12      LEU  81  22.448  -5.977  -1.716
  626   HD13  LEU  81          HD13      LEU  81  22.309  -4.265  -1.286
  627   HD21  LEU  81          HD21      LEU  81  22.178  -5.544  -5.358
  628   HD22  LEU  81          HD22      LEU  81  22.377  -6.714  -4.045
  629   HD23  LEU  81          HD23      LEU  81  20.819  -5.906  -4.264
  630    H    ILE  82           H        ILE  82  23.075  -0.674  -3.780
  631    HA   ILE  82           HA       ILE  82  20.968   1.252  -4.190
  632    HB   ILE  82           HB       ILE  82  23.837   1.648  -3.240
  633   HG12  ILE  82          HG12      ILE  82  21.272   1.290  -1.615
  634   HG13  ILE  82          HG13      ILE  82  22.480   0.031  -1.857
  635   HG21  ILE  82          HG21      ILE  82  21.393   3.465  -2.962
  636   HG22  ILE  82          HG22      ILE  82  22.989   3.764  -2.243
  637   HG23  ILE  82          HG23      ILE  82  22.812   3.782  -3.984
  638   HD11  ILE  82          HD11      ILE  82  22.890   2.613  -0.321
  639   HD12  ILE  82          HD12      ILE  82  22.854   0.959   0.298
  640   HD13  ILE  82          HD13      ILE  82  24.196   1.474  -0.743
  641    H    GLN  83           H        GLN  83  24.239   0.905  -5.669
  642    HA   GLN  83           HA       GLN  83  23.960   3.240  -7.305
  643    HB2  GLN  83           HB2      GLN  83  25.786   0.812  -7.508
  644    HB3  GLN  83           HB3      GLN  83  25.941   2.242  -8.541
  645    HG2  GLN  83           HG2      GLN  83  26.309   3.695  -6.661
  646    HG3  GLN  83           HG3      GLN  83  25.968   2.432  -5.492
  647   HE21  GLN  83          HE21      GLN  83  29.140   0.773  -5.939
  648   HE22  GLN  83          HE22      GLN  83  27.426   0.446  -5.618
  649    H    THR  84           H        THR  84  22.870  -0.061  -7.858
  650    HA   THR  84           HA       THR  84  22.221   0.201 -10.654
  651    HB   THR  84           HB       THR  84  20.957  -1.501  -8.477
  652    HG1  THR  84           HG1      THR  84  23.054  -2.084  -8.844
  653   HG21  THR  84          HG21      THR  84  20.784  -1.794 -11.486
  654   HG22  THR  84          HG22      THR  84  20.165  -2.920 -10.269
  655   HG23  THR  84          HG23      THR  84  19.429  -1.319 -10.446
  656    H    GLU  85           H        GLU  85  20.254   0.949  -7.648
  657    HA   GLU  85           HA       GLU  85  18.080   1.882  -9.380
  658    HB2  GLU  85           HB2      GLU  85  16.933   2.583  -7.422
  659    HB3  GLU  85           HB3      GLU  85  17.505   0.935  -7.206
  660    HG2  GLU  85           HG2      GLU  85  19.135   1.586  -5.619
  661    HG3  GLU  85           HG3      GLU  85  19.068   3.286  -6.085
  662    H    GLU  86           H        GLU  86  20.818   3.471  -7.712
  663    HA   GLU  86           HA       GLU  86  19.918   6.112  -8.045
  664    HB2  GLU  86           HB2      GLU  86  22.694   4.932  -7.894
  665    HB3  GLU  86           HB3      GLU  86  22.426   6.673  -7.967
  666    HG2  GLU  86           HG2      GLU  86  20.966   4.995  -5.919
  667    HG3  GLU  86           HG3      GLU  86  22.629   5.518  -5.640
  668    H    ALA  87           H        ALA  87  21.372   4.040 -10.506
  669    HA   ALA  87           HA       ALA  87  21.687   6.079 -12.525
  670    HB1  ALA  87           HB1      ALA  87  20.999   3.107 -12.791
  671    HB2  ALA  87           HB2      ALA  87  21.617   4.167 -14.072
  672    HB3  ALA  87           HB3      ALA  87  22.645   3.786 -12.673
  673    H    LEU  88           H        LEU  88  18.905   4.043 -11.518
  674    HA   LEU  88           HA       LEU  88  17.219   5.035 -13.714
  675    HB2  LEU  88           HB2      LEU  88  16.500   3.219 -11.408
  676    HB3  LEU  88           HB3      LEU  88  15.592   3.436 -12.900
  677    HG   LEU  88           HG       LEU  88  18.270   2.030 -12.520
  678   HD11  LEU  88          HD11      LEU  88  15.579   1.069 -13.554
  679   HD12  LEU  88          HD12      LEU  88  17.027   0.085 -13.226
  680   HD13  LEU  88          HD13      LEU  88  16.167   0.855 -11.885
  681   HD21  LEU  88          HD21      LEU  88  18.437   3.148 -14.644
  682   HD22  LEU  88          HD22      LEU  88  18.041   1.454 -14.959
  683   HD23  LEU  88          HD23      LEU  88  16.761   2.677 -15.081
  684    H    ASN  89           H        ASN  89  17.769   5.808 -10.397
  685    HA   ASN  89           HA       ASN  89  15.343   6.943  -9.633
  686    HB2  ASN  89           HB2      ASN  89  18.210   7.166  -8.771
  687    HB3  ASN  89           HB3      ASN  89  17.080   8.313  -8.108
  688   HD21  ASN  89          HD21      ASN  89  17.245   5.315  -5.861
  689   HD22  ASN  89          HD22      ASN  89  18.400   6.547  -6.414
  690    H    ARG  90           H        ARG  90  17.867   8.371 -11.580
  691    HA   ARG  90           HA       ARG  90  16.179  10.831 -11.888
  692    HB2  ARG  90           HB2      ARG  90  17.998  12.090 -11.942
  693    HB3  ARG  90           HB3      ARG  90  18.613  10.774 -10.979
  694    HG2  ARG  90           HG2      ARG  90  20.374  10.747 -12.353
  695    HG3  ARG  90           HG3      ARG  90  19.345   9.957 -13.551
  696    HD2  ARG  90           HD2      ARG  90  18.702  12.216 -14.430
  697    HD3  ARG  90           HD3      ARG  90  19.689  12.974 -13.193
  698    HE   ARG  90           HE       ARG  90  20.622  11.531 -15.613
  699   HH11  ARG  90          HH11      ARG  90  21.645  13.207 -12.689
  700   HH12  ARG  90          HH12      ARG  90  23.267  13.416 -13.284
  701   HH21  ARG  90          HH21      ARG  90  22.716  11.850 -16.285
  702   HH22  ARG  90          HH22      ARG  90  23.848  12.673 -15.255
  703    H    ARG  91           H        ARG  91  16.453   8.032 -13.453
  704    HA   ARG  91           HA       ARG  91  16.024   9.104 -16.227
  705    HB2  ARG  91           HB2      ARG  91  16.061   6.274 -15.099
  706    HB3  ARG  91           HB3      ARG  91  15.698   6.663 -16.780
  707    HG2  ARG  91           HG2      ARG  91  17.918   7.498 -17.167
  708    HG3  ARG  91           HG3      ARG  91  18.332   7.392 -15.462
  709    HD2  ARG  91           HD2      ARG  91  18.988   5.222 -15.732
  710    HD3  ARG  91           HD3      ARG  91  17.385   4.768 -16.213
  711    HE   ARG  91           HE       ARG  91  19.687   5.534 -17.962
  712   HH11  ARG  91          HH11      ARG  91  16.363   4.345 -17.985
  713   HH12  ARG  91          HH12      ARG  91  16.464   3.911 -19.663
  714   HH21  ARG  91          HH21      ARG  91  19.707   4.945 -20.083
  715   HH22  ARG  91          HH22      ARG  91  18.297   4.237 -20.810
  716    H    GLN  92           H        GLN  92  14.319   7.090 -13.844
  717    HA   GLN  92           HA       GLN  92  11.678   7.869 -15.030
  718    HB2  GLN  92           HB2      GLN  92  11.038   5.484 -15.020
  719    HB3  GLN  92           HB3      GLN  92  12.251   5.918 -16.223
  720    HG2  GLN  92           HG2      GLN  92  14.014   4.814 -14.995
  721    HG3  GLN  92           HG3      GLN  92  12.991   4.592 -13.575
  722   HE21  GLN  92          HE21      GLN  92  11.181   1.815 -14.963
  723   HE22  GLN  92          HE22      GLN  92  11.075   3.105 -13.773
  724    H    ILE  93           H        ILE  93  13.276   6.355 -12.192
  725    HA   ILE  93           HA       ILE  93  10.767   6.115 -10.764
  726    HB   ILE  93           HB       ILE  93  13.472   6.222  -9.404
  727   HG12  ILE  93          HG12      ILE  93  12.180   3.868 -10.856
  728   HG13  ILE  93          HG13      ILE  93  13.704   4.645 -11.286
  729   HG21  ILE  93          HG21      ILE  93  10.891   4.730  -8.787
  730   HG22  ILE  93          HG22      ILE  93  12.358   4.756  -7.781
  731   HG23  ILE  93          HG23      ILE  93  11.426   6.226  -7.983
  732   HD11  ILE  93          HD11      ILE  93  13.230   2.944  -8.825
  733   HD12  ILE  93          HD12      ILE  93  14.215   2.572 -10.245
  734   HD13  ILE  93          HD13      ILE  93  14.718   3.870  -9.157
  735    H    ASN  94           H        ASN  94  12.864   8.794 -11.320
  736    HA   ASN  94           HA       ASN  94  12.084  10.621  -9.352
  737    HB2  ASN  94           HB2      ASN  94  13.525  10.712 -11.770
  738    HB3  ASN  94           HB3      ASN  94  12.172  11.781 -12.074
  739   HD21  ASN  94          HD21      ASN  94  15.137  12.861  -9.503
  740   HD22  ASN  94          HD22      ASN  94  14.935  11.163  -9.942
  741    H    GLN  95           H        GLN  95  10.262   9.555 -12.240
  742    HA   GLN  95           HA       GLN  95   8.106  11.442 -12.069
  743    HB2  GLN  95           HB2      GLN  95   8.050   8.622 -13.218
  744    HB3  GLN  95           HB3      GLN  95   6.962   9.954 -13.600
  745    HG2  GLN  95           HG2      GLN  95   8.907  11.207 -14.593
  746    HG3  GLN  95           HG3      GLN  95   9.938   9.823 -14.275
  747   HE21  GLN  95          HE21      GLN  95   9.106   9.181 -17.727
  748   HE22  GLN  95          HE22      GLN  95  10.249  10.068 -16.731
  749    H    ALA  96           H        ALA  96   8.727   8.402 -10.379
  750    HA   ALA  96           HA       ALA  96   5.978   8.194  -9.334
  751    HB1  ALA  96           HB1      ALA  96   8.486   6.548  -8.788
  752    HB2  ALA  96           HB2      ALA  96   6.834   6.157  -8.275
  753    HB3  ALA  96           HB3      ALA  96   7.237   6.182 -10.002
  754    H    LEU  97           H        LEU  97   9.259   9.028  -8.084
  755    HA   LEU  97           HA       LEU  97   8.257   9.349  -5.382
  756    HB2  LEU  97           HB2      LEU  97  10.465   9.798  -4.748
  757    HB3  LEU  97           HB3      LEU  97  10.485   8.541  -5.975
  758    HG   LEU  97           HG       LEU  97  10.963  10.608  -7.590
  759   HD11  LEU  97          HD11      LEU  97  12.179  11.547  -4.956
  760   HD12  LEU  97          HD12      LEU  97  12.480  12.252  -6.559
  761   HD13  LEU  97          HD13      LEU  97  10.881  12.375  -5.831
  762   HD21  LEU  97          HD21      LEU  97  12.449   8.659  -7.276
  763   HD22  LEU  97          HD22      LEU  97  13.391  10.158  -7.330
  764   HD23  LEU  97          HD23      LEU  97  13.071   9.365  -5.772
  765    H    LEU  98           H        LEU  98   8.781  11.633  -7.991
  766    HA   LEU  98           HA       LEU  98   8.739  14.019  -6.451
  767    HB2  LEU  98           HB2      LEU  98   9.551  13.926  -8.741
  768    HB3  LEU  98           HB3      LEU  98   7.940  13.520  -9.342
  769    HG   LEU  98           HG       LEU  98   7.100  15.742  -8.704
  770   HD11  LEU  98          HD11      LEU  98   9.959  16.292  -7.782
  771   HD12  LEU  98          HD12      LEU  98   8.693  17.521  -7.991
  772   HD13  LEU  98          HD13      LEU  98   8.505  16.276  -6.757
  773   HD21  LEU  98          HD21      LEU  98   8.156  15.391 -10.926
  774   HD22  LEU  98          HD22      LEU  98   8.350  17.052 -10.347
  775   HD23  LEU  98          HD23      LEU  98   9.714  15.914 -10.263
  776    H    SER  99           H        SER  99   5.970  12.534  -8.242
  777    HA   SER  99           HA       SER  99   4.255  13.054  -5.961
  778    HB2  SER  99           HB2      SER  99   4.092  15.233  -7.138
  779    HB3  SER  99           HB3      SER  99   3.487  14.400  -8.578
  780    HG   SER  99           HG       SER  99   1.796  15.206  -7.186
  781    H    THR 100           H        THR 100   3.735  12.436  -9.454
  782    HA   THR 100           HA       THR 100   3.292   9.706  -9.359
  783    HB   THR 100           HB       THR 100   1.373   9.944  -7.997
  784    HG1  THR 100           HG1      THR 100  -0.094   8.909  -9.315
  785   HG21  THR 100          HG21      THR 100  -0.040  11.697 -10.032
  786   HG22  THR 100          HG22      THR 100  -0.632  11.128  -8.464
  787   HG23  THR 100          HG23      THR 100   0.684  12.305  -8.527
  788    H    GLY 101           H        GLY 101   4.272   9.649 -11.268
  789    HA2  GLY 101           HA2      GLY 101   4.266   9.293 -13.567
  790    HA3  GLY 101           HA3      GLY 101   2.588   9.840 -13.634
  791    H    ASP 102           H        ASP 102   5.141  11.838 -12.284
  792    HA   ASP 102           HA       ASP 102   4.531  14.111 -13.862
  793    HB2  ASP 102           HB2      ASP 102   6.961  13.461 -12.147
  794    HB3  ASP 102           HB3      ASP 102   6.575  15.055 -12.777
  795    H    LEU 103           H        LEU 103   6.220  15.458 -15.014
  796    HA   LEU 103           HA       LEU 103   7.458  14.062 -17.216
  797    HB2  LEU 103           HB2      LEU 103   8.018  16.096 -18.069
  798    HB3  LEU 103           HB3      LEU 103   6.569  16.482 -17.163
  799    HG   LEU 103           HG       LEU 103   9.449  17.051 -16.282
  800   HD11  LEU 103          HD11      LEU 103   7.255  18.910 -17.274
  801   HD12  LEU 103          HD12      LEU 103   8.872  19.394 -16.712
  802   HD13  LEU 103          HD13      LEU 103   8.703  18.424 -18.183
  803   HD21  LEU 103          HD21      LEU 103   8.012  16.763 -14.303
  804   HD22  LEU 103          HD22      LEU 103   8.408  18.465 -14.528
  805   HD23  LEU 103          HD23      LEU 103   6.801  17.869 -15.001
  806    H    ALA 104           H        ALA 104   9.739  14.141 -17.766
  807    HA   ALA 104           HA       ALA 104  11.665  14.514 -15.561
  808    HB1  ALA 104           HB1      ALA 104  11.506  11.933 -17.166
  809    HB2  ALA 104           HB2      ALA 104  12.723  12.336 -15.933
  810    HB3  ALA 104           HB3      ALA 104  11.029  12.143 -15.456
  811    H    HIS 105           H        HIS 105  11.045  16.110 -17.881
  812    HA   HIS 105           HA       HIS 105  13.039  15.449 -19.945
  813    HB2  HIS 105           HB2      HIS 105  10.871  17.563 -19.956
  814    HB3  HIS 105           HB3      HIS 105  11.824  17.011 -21.331
  815    HD2  HIS 105           HD2      HIS 105   8.496  16.817 -20.722
  816    HE1  HIS 105           HE1      HIS 105   9.219  12.648 -21.275
  817    HE2  HIS 105           HE2      HIS 105   7.427  14.457 -21.212
  818    H    ASP 106           H        ASP 106  14.934  16.384 -20.120
  819    HA   ASP 106           HA       ASP 106  16.707  17.741 -19.928
  820    HB2  ASP 106           HB2      ASP 106  14.650  19.950 -20.202
  821    HB3  ASP 106           HB3      ASP 106  16.384  20.117 -20.456
  822    H    GLU 107           H        GLU 107  15.558  16.862 -17.406
  823    HA   GLU 107           HA       GLU 107  15.579  19.033 -15.550
  824    HB2  GLU 107           HB2      GLU 107  15.672  16.030 -15.169
  825    HB3  GLU 107           HB3      GLU 107  15.636  17.178 -13.830
  826    HG2  GLU 107           HG2      GLU 107  13.525  18.163 -14.896
  827    HG3  GLU 107           HG3      GLU 107  13.495  16.732 -15.932
  828    H    PHE 108           H        PHE 108  18.148  17.025 -16.731
  829    HA   PHE 108           HA       PHE 108  20.133  18.144 -14.805
  830    HB2  PHE 108           HB2      PHE 108  19.909  15.251 -15.712
  831    HB3  PHE 108           HB3      PHE 108  21.211  15.925 -14.752
  832    HD1  PHE 108           HD1      PHE 108  20.924  16.429 -12.371
  833    HD2  PHE 108           HD2      PHE 108  17.647  14.925 -14.728
  834    HE1  PHE 108           HE1      PHE 108  19.664  15.905 -10.290
  835    HE2  PHE 108           HE2      PHE 108  16.381  14.413 -12.650
  836    HZ   PHE 108           HZ       PHE 108  17.394  14.899 -10.428
  Start of MODEL    7
    1    H1   ALA   1           H1       ALA   1  -1.898   0.353  -0.450
    2    H2   ALA   1           H2       ALA   1  -2.758  -0.850   0.250
    3    H3   ALA   1           H3       ALA   1  -3.480   0.148  -0.828
    4    HA   ALA   1           HA       ALA   1  -3.039  -1.982  -1.845
    5    HB1  ALA   1           HB1      ALA   1  -1.286   0.251  -2.983
    6    HB2  ALA   1           HB2      ALA   1  -1.868  -1.177  -3.862
    7    HB3  ALA   1           HB3      ALA   1  -3.024   0.033  -3.290
    8    H    VAL   2           H        VAL   2  -1.377  -3.411  -2.823
    9    HA   VAL   2           HA       VAL   2   1.248  -3.488  -1.413
   10    HB   VAL   2           HB       VAL   2   1.072  -5.927  -1.143
   11   HG11  VAL   2          HG11      VAL   2  -1.139  -4.472   0.351
   12   HG12  VAL   2          HG12      VAL   2  -0.283  -5.941   0.856
   13   HG13  VAL   2          HG13      VAL   2   0.593  -4.406   0.750
   14   HG21  VAL   2          HG21      VAL   2  -0.702  -6.441  -2.799
   15   HG22  VAL   2          HG22      VAL   2  -1.076  -7.083  -1.196
   16   HG23  VAL   2          HG23      VAL   2  -1.897  -5.619  -1.769
   17    H    GLU   3           H        GLU   3   2.838  -4.863  -2.447
   18    HA   GLU   3           HA       GLU   3   2.457  -5.231  -5.382
   19    HB2  GLU   3           HB2      GLU   3   4.702  -4.434  -5.735
   20    HB3  GLU   3           HB3      GLU   3   3.728  -3.194  -4.952
   21    HG2  GLU   3           HG2      GLU   3   4.788  -3.818  -2.750
   22    HG3  GLU   3           HG3      GLU   3   5.810  -4.975  -3.605
   23    H    VAL   4           H        VAL   4   3.913  -6.795  -6.385
   24    HA   VAL   4           HA       VAL   4   4.885  -8.966  -4.586
   25    HB   VAL   4           HB       VAL   4   3.061  -9.397  -6.988
   26   HG11  VAL   4          HG11      VAL   4   4.195 -11.377  -4.955
   27   HG12  VAL   4          HG12      VAL   4   2.972 -11.756  -6.185
   28   HG13  VAL   4          HG13      VAL   4   4.591 -11.306  -6.691
   29   HG21  VAL   4          HG21      VAL   4   1.713  -8.538  -5.132
   30   HG22  VAL   4          HG22      VAL   4   1.406 -10.259  -5.339
   31   HG23  VAL   4          HG23      VAL   4   2.458  -9.706  -4.016
   32    H    GLU   5           H        GLU   5   6.526 -10.242  -5.479
   33    HA   GLU   5           HA       GLU   5   8.283  -8.975  -7.381
   34    HB2  GLU   5           HB2      GLU   5   9.793 -10.839  -6.852
   35    HB3  GLU   5           HB3      GLU   5   9.171 -10.012  -5.433
   36    HG2  GLU   5           HG2      GLU   5   7.556 -11.833  -5.018
   37    HG3  GLU   5           HG3      GLU   5   8.095 -12.677  -6.464
   38    H    VAL   6           H        VAL   6   6.076  -9.320  -8.829
   39    HA   VAL   6           HA       VAL   6   5.917 -11.738 -10.376
   40    HB   VAL   6           HB       VAL   6   4.716  -8.981 -10.679
   41   HG11  VAL   6          HG11      VAL   6   4.267 -11.387 -12.508
   42   HG12  VAL   6          HG12      VAL   6   3.247  -9.933 -12.454
   43   HG13  VAL   6          HG13      VAL   6   4.920  -9.803 -12.993
   44   HG21  VAL   6          HG21      VAL   6   3.868 -10.469  -8.893
   45   HG22  VAL   6          HG22      VAL   6   2.652 -10.173 -10.139
   46   HG23  VAL   6          HG23      VAL   6   3.522 -11.723 -10.098
   47    HA   PRO   7           HA       PRO   7   8.438  -9.770 -13.834
   48    HB2  PRO   7           HB2      PRO   7   9.564  -7.336 -13.805
   49    HB3  PRO   7           HB3      PRO   7   7.811  -7.518 -14.062
   50    HG2  PRO   7           HG2      PRO   7   9.222  -6.949 -11.434
   51    HG3  PRO   7           HG3      PRO   7   7.859  -6.033 -12.163
   52    HD2  PRO   7           HD2      PRO   7   7.457  -7.974 -10.294
   53    HD3  PRO   7           HD3      PRO   7   6.319  -7.741 -11.657
   54    H    GLY   8           H        GLY   8  10.711  -9.492 -14.390
   55    HA2  GLY   8           HA2      GLY   8  12.976  -8.947 -13.175
   56    HA3  GLY   8           HA3      GLY   8  12.611 -10.406 -12.263
   57    H    LEU   9           H        LEU   9  14.819  -9.708 -14.206
   58    HA   LEU   9           HA       LEU   9  14.805 -12.303 -15.563
   59    HB2  LEU   9           HB2      LEU   9  15.408 -11.440 -17.779
   60    HB3  LEU   9           HB3      LEU   9  13.783 -11.091 -17.251
   61    HG   LEU   9           HG       LEU   9  14.485  -8.729 -16.739
   62   HD11  LEU   9          HD11      LEU   9  16.973  -9.508 -18.313
   63   HD12  LEU   9          HD12      LEU   9  16.473  -7.842 -17.949
   64   HD13  LEU   9          HD13      LEU   9  16.920  -8.937 -16.638
   65   HD21  LEU   9          HD21      LEU   9  13.263  -9.352 -18.776
   66   HD22  LEU   9          HD22      LEU   9  14.404  -8.039 -19.100
   67   HD23  LEU   9          HD23      LEU   9  14.798  -9.698 -19.602
   68    H    LEU  10           H        LEU  10  16.237 -11.493 -13.303
   69    HA   LEU  10           HA       LEU  10  19.017 -10.972 -13.899
   70    HB2  LEU  10           HB2      LEU  10  17.597 -12.306 -11.572
   71    HB3  LEU  10           HB3      LEU  10  19.334 -12.279 -11.676
   72    HG   LEU  10           HG       LEU  10  17.873  -9.656 -11.931
   73   HD11  LEU  10          HD11      LEU  10  18.425 -11.086  -9.297
   74   HD12  LEU  10          HD12      LEU  10  17.932  -9.384  -9.465
   75   HD13  LEU  10          HD13      LEU  10  16.828 -10.677  -9.961
   76   HD21  LEU  10          HD21      LEU  10  20.368  -9.784 -12.176
   77   HD22  LEU  10          HD22      LEU  10  19.868  -8.784 -10.798
   78   HD23  LEU  10          HD23      LEU  10  20.464 -10.430 -10.512
   79    H    THR  11           H        THR  11  20.294 -12.178 -15.055
   80    HA   THR  11           HA       THR  11  20.080 -15.143 -14.899
   81    HB   THR  11           HB       THR  11  20.775 -13.432 -17.301
   82    HG1  THR  11           HG1      THR  11  18.966 -14.449 -18.152
   83   HG21  THR  11          HG21      THR  11  21.007 -16.446 -16.913
   84   HG22  THR  11          HG22      THR  11  20.955 -15.653 -18.501
   85   HG23  THR  11          HG23      THR  11  22.287 -15.302 -17.399
   86    H    ASP  12           H        ASP  12  21.862 -16.287 -14.573
   87    HA   ASP  12           HA       ASP  12  24.283 -15.051 -13.591
   88    HB2  ASP  12           HB2      ASP  12  24.961 -17.329 -13.131
   89    HB3  ASP  12           HB3      ASP  12  23.346 -17.023 -12.530
   90    H    HIS  13           H        HIS  13  24.367 -13.892 -15.831
   91    HA   HIS  13           HA       HIS  13  25.867 -15.385 -17.901
   92    HB2  HIS  13           HB2      HIS  13  24.905 -12.524 -17.653
   93    HB3  HIS  13           HB3      HIS  13  26.030 -13.022 -18.913
   94    HD2  HIS  13           HD2      HIS  13  24.795 -15.644 -20.018
   95    HE1  HIS  13           HE1      HIS  13  21.231 -13.385 -20.640
   96    HE2  HIS  13           HE2      HIS  13  22.503 -15.489 -21.306
   97    H    THR  14           H        THR  14  27.035 -15.732 -15.508
   98    HA   THR  14           HA       THR  14  29.492 -14.127 -15.640
   99    HB   THR  14           HB       THR  14  29.598 -14.058 -13.173
  100    HG1  THR  14           HG1      THR  14  27.709 -14.516 -12.020
  101   HG21  THR  14          HG21      THR  14  26.972 -12.842 -14.100
  102   HG22  THR  14          HG22      THR  14  28.002 -12.319 -12.754
  103   HG23  THR  14          HG23      THR  14  28.568 -12.127 -14.420
  104    H    VAL  15           H        VAL  15  31.431 -15.200 -15.419
  105    HA   VAL  15           HA       VAL  15  31.348 -18.127 -14.832
  106    HB   VAL  15           HB       VAL  15  32.717 -18.575 -16.813
  107   HG11  VAL  15          HG11      VAL  15  30.096 -17.215 -17.504
  108   HG12  VAL  15          HG12      VAL  15  30.922 -18.499 -18.410
  109   HG13  VAL  15          HG13      VAL  15  30.260 -18.837 -16.799
  110   HG21  VAL  15          HG21      VAL  15  33.696 -16.336 -17.250
  111   HG22  VAL  15          HG22      VAL  15  32.867 -16.990 -18.668
  112   HG23  VAL  15          HG23      VAL  15  32.092 -15.721 -17.698
  113    H    SER  16           H        SER  16  32.243 -16.176 -13.078
  114    HA   SER  16           HA       SER  16  35.200 -16.736 -12.880
  115    HB2  SER  16           HB2      SER  16  35.170 -14.474 -13.389
  116    HB3  SER  16           HB3      SER  16  33.631 -14.200 -12.563
  117    HG   SER  16           HG       SER  16  36.197 -14.188 -11.526
  118    H    SER  17           H        SER  17  36.060 -17.143 -10.783
  119    HA   SER  17           HA       SER  17  34.441 -18.473  -8.902
  120    HB2  SER  17           HB2      SER  17  37.080 -17.049  -8.382
  121    HB3  SER  17           HB3      SER  17  36.364 -18.344  -7.400
  122    HG   SER  17           HG       SER  17  37.937 -19.160  -8.877
  123    H    ILE  18           H        ILE  18  35.303 -15.027  -9.031
  124    HA   ILE  18           HA       ILE  18  33.605 -14.433  -6.645
  125    HB   ILE  18           HB       ILE  18  34.353 -11.992  -7.376
  126   HG12  ILE  18          HG12      ILE  18  36.778 -13.607  -8.263
  127   HG13  ILE  18          HG13      ILE  18  35.578 -12.919  -9.373
  128   HG21  ILE  18          HG21      ILE  18  36.155 -13.903  -5.841
  129   HG22  ILE  18          HG22      ILE  18  36.101 -12.127  -5.684
  130   HG23  ILE  18          HG23      ILE  18  34.715 -13.087  -5.190
  131   HD11  ILE  18          HD11      ILE  18  37.103 -11.160  -7.488
  132   HD12  ILE  18          HD12      ILE  18  37.673 -11.613  -9.114
  133   HD13  ILE  18          HD13      ILE  18  36.158 -10.748  -8.942
  134    H    GLY  19           H        GLY  19  33.641 -13.797 -10.206
  135    HA2  GLY  19           HA2      GLY  19  31.334 -12.078 -10.095
  136    HA3  GLY  19           HA3      GLY  19  31.951 -12.897 -11.526
  137    H    HIS  20           H        HIS  20  31.553 -15.623 -10.298
  138    HA   HIS  20           HA       HIS  20  28.754 -16.124 -10.829
  139    HB2  HIS  20           HB2      HIS  20  30.495 -17.810 -11.190
  140    HB3  HIS  20           HB3      HIS  20  30.867 -17.823  -9.462
  141    HD2  HIS  20           HD2      HIS  20  29.429 -19.363  -7.916
  142    HE1  HIS  20           HE1      HIS  20  26.550 -20.678 -10.778
  143    HE2  HIS  20           HE2      HIS  20  27.439 -21.020  -8.415
  144    H    ASP  21           H        ASP  21  30.685 -15.579  -7.835
  145    HA   ASP  21           HA       ASP  21  28.453 -16.164  -6.054
  146    HB2  ASP  21           HB2      ASP  21  31.206 -14.940  -5.667
  147    HB3  ASP  21           HB3      ASP  21  30.001 -14.999  -4.389
  148    H    PHE  22           H        PHE  22  29.830 -13.169  -7.528
  149    HA   PHE  22           HA       PHE  22  28.227 -11.278  -6.153
  150    HB2  PHE  22           HB2      PHE  22  30.032 -10.727  -7.795
  151    HB3  PHE  22           HB3      PHE  22  29.003 -11.249  -9.101
  152    HD1  PHE  22           HD1      PHE  22  29.658  -8.507  -6.702
  153    HD2  PHE  22           HD2      PHE  22  26.909 -10.017  -9.641
  154    HE1  PHE  22           HE1      PHE  22  28.657  -6.248  -6.932
  155    HE2  PHE  22           HE2      PHE  22  25.849  -7.778  -9.813
  156    HZ   PHE  22           HZ       PHE  22  26.749  -5.889  -8.492
  157    H    TYR  23           H        TYR  23  27.359 -13.242  -9.031
  158    HA   TYR  23           HA       TYR  23  24.788 -12.171  -9.491
  159    HB2  TYR  23           HB2      TYR  23  25.793 -13.788 -11.012
  160    HB3  TYR  23           HB3      TYR  23  25.752 -15.043  -9.765
  161    HD1  TYR  23           HD1      TYR  23  23.828 -16.383  -9.407
  162    HD2  TYR  23           HD2      TYR  23  23.581 -12.850 -11.851
  163    HE1  TYR  23           HE1      TYR  23  21.462 -16.932  -9.948
  164    HE2  TYR  23           HE2      TYR  23  21.195 -13.356 -12.341
  165    HH   TYR  23           HH       TYR  23  19.545 -16.267 -11.054
  166    H    ARG  24           H        ARG  24  25.613 -14.921  -7.357
  167    HA   ARG  24           HA       ARG  24  22.914 -15.323  -6.406
  168    HB2  ARG  24           HB2      ARG  24  25.540 -16.216  -5.118
  169    HB3  ARG  24           HB3      ARG  24  23.921 -16.858  -4.807
  170    HG2  ARG  24           HG2      ARG  24  23.833 -17.489  -7.294
  171    HG3  ARG  24           HG3      ARG  24  25.537 -17.073  -7.383
  172    HD2  ARG  24           HD2      ARG  24  25.412 -19.452  -7.088
  173    HD3  ARG  24           HD3      ARG  24  26.059 -18.740  -5.618
  174    HE   ARG  24           HE       ARG  24  24.192 -19.420  -4.427
  175   HH11  ARG  24          HH11      ARG  24  23.446 -19.957  -7.821
  176   HH12  ARG  24          HH12      ARG  24  22.000 -20.849  -7.444
  177   HH21  ARG  24          HH21      ARG  24  22.333 -20.550  -4.035
  178   HH22  ARG  24          HH22      ARG  24  21.394 -21.177  -5.356
  179    H    ALA  25           H        ALA  25  25.723 -13.680  -4.966
  180    HA   ALA  25           HA       ALA  25  24.407 -12.938  -2.526
  181    HB1  ALA  25           HB1      ALA  25  26.749 -11.591  -3.945
  182    HB2  ALA  25           HB2      ALA  25  26.347 -11.496  -2.212
  183    HB3  ALA  25           HB3      ALA  25  26.891 -13.033  -2.905
  184    H    PHE  26           H        PHE  26  24.768 -11.126  -5.640
  185    HA   PHE  26           HA       PHE  26  23.455  -8.765  -4.728
  186    HB2  PHE  26           HB2      PHE  26  24.818  -8.847  -6.750
  187    HB3  PHE  26           HB3      PHE  26  23.742  -9.997  -7.503
  188    HD1  PHE  26           HD1      PHE  26  21.243  -9.193  -7.922
  189    HD2  PHE  26           HD2      PHE  26  24.561  -6.535  -7.182
  190    HE1  PHE  26           HE1      PHE  26  19.970  -7.334  -8.912
  191    HE2  PHE  26           HE2      PHE  26  23.295  -4.683  -8.265
  192    HZ   PHE  26           HZ       PHE  26  20.984  -5.089  -9.118
  193    H    SER  27           H        SER  27  22.121 -11.649  -6.466
  194    HA   SER  27           HA       SER  27  19.453 -10.640  -6.512
  195    HB2  SER  27           HB2      SER  27  18.760 -12.801  -7.237
  196    HB3  SER  27           HB3      SER  27  20.292 -12.394  -8.032
  197    HG   SER  27           HG       SER  27  20.235 -14.567  -7.217
  198    H    ASP  28           H        ASP  28  21.143 -12.533  -4.026
  199    HA   ASP  28           HA       ASP  28  18.911 -13.182  -2.392
  200    HB2  ASP  28           HB2      ASP  28  21.877 -12.797  -1.938
  201    HB3  ASP  28           HB3      ASP  28  20.820 -12.968  -0.552
  202    H    LYS  29           H        LYS  29  20.735 -10.112  -2.595
  203    HA   LYS  29           HA       LYS  29  18.789  -8.958  -0.629
  204    HB2  LYS  29           HB2      LYS  29  20.694  -7.080  -0.565
  205    HB3  LYS  29           HB3      LYS  29  20.515  -8.376   0.567
  206    HG2  LYS  29           HG2      LYS  29  22.324  -8.648  -1.855
  207    HG3  LYS  29           HG3      LYS  29  22.849  -7.782  -0.422
  208    HD2  LYS  29           HD2      LYS  29  22.041 -10.715  -0.438
  209    HD3  LYS  29           HD3      LYS  29  23.684 -10.083  -0.444
  210    HE2  LYS  29           HE2      LYS  29  23.266  -8.946   1.739
  211    HE3  LYS  29           HE3      LYS  29  21.634  -9.619   1.775
  212    HZ1  LYS  29           HZ1      LYS  29  24.137 -11.244   1.788
  213    HZ2  LYS  29           HZ2      LYS  29  23.174 -10.976   3.076
  214    HZ3  LYS  29           HZ3      LYS  29  22.617 -11.861   1.827
  215    H    TRP  30           H        TRP  30  19.049  -9.059  -3.839
  216    HA   TRP  30           HA       TRP  30  18.661  -6.367  -4.619
  217    HB2  TRP  30           HB2      TRP  30  19.236  -8.083  -6.216
  218    HB3  TRP  30           HB3      TRP  30  17.716  -8.933  -5.920
  219    HD1  TRP  30           HD1      TRP  30  15.984  -8.483  -7.715
  220    HE1  TRP  30           HE1      TRP  30  15.347  -6.557  -9.283
  221    HE3  TRP  30           HE3      TRP  30  19.540  -5.080  -6.299
  222    HZ2  TRP  30           HZ2      TRP  30  16.245  -3.865  -9.824
  223    HZ3  TRP  30           HZ3      TRP  30  19.567  -2.818  -7.286
  224    HH2  TRP  30           HH2      TRP  30  17.965  -2.197  -9.074
  225    H    GLU  31           H        GLU  31  17.115  -4.947  -4.345
  226    HA   GLU  31           HA       GLU  31  14.282  -5.605  -4.529
  227    HB2  GLU  31           HB2      GLU  31  15.555  -4.224  -2.110
  228    HB3  GLU  31           HB3      GLU  31  13.867  -4.063  -2.566
  229    HG2  GLU  31           HG2      GLU  31  13.605  -6.558  -2.337
  230    HG3  GLU  31           HG3      GLU  31  15.259  -6.628  -1.712
  231    H    SER  32           H        SER  32  13.253  -3.906  -5.622
  232    HA   SER  32           HA       SER  32  14.361  -1.211  -5.518
  233    HB2  SER  32           HB2      SER  32  15.601  -2.446  -7.379
  234    HB3  SER  32           HB3      SER  32  14.083  -2.284  -8.292
  235    HG   SER  32           HG       SER  32  15.746  -0.260  -7.130
  236    H    ASP  33           H        ASP  33  13.015   0.364  -6.733
  237    HA   ASP  33           HA       ASP  33  10.175  -0.167  -6.153
  238    HB2  ASP  33           HB2      ASP  33  11.386   1.900  -5.440
  239    HB3  ASP  33           HB3      ASP  33  11.515   2.372  -7.137
  240    H    TYR  34           H        TYR  34  12.140   0.131  -9.030
  241    HA   TYR  34           HA       TYR  34   9.873   0.469 -10.870
  242    HB2  TYR  34           HB2      TYR  34  11.439   0.825 -12.539
  243    HB3  TYR  34           HB3      TYR  34  12.172   1.569 -11.136
  244    HD1  TYR  34           HD1      TYR  34  12.776  -0.597 -13.903
  245    HD2  TYR  34           HD2      TYR  34  13.828   0.016  -9.765
  246    HE1  TYR  34           HE1      TYR  34  14.685  -2.120 -14.161
  247    HE2  TYR  34           HE2      TYR  34  15.717  -1.546  -9.993
  248    HH   TYR  34           HH       TYR  34  16.493  -3.124 -13.150
  249    H    THR  35           H        THR  35  10.525  -1.093 -13.018
  250    HA   THR  35           HA       THR  35   9.185  -3.522 -12.342
  251    HB   THR  35           HB       THR  35  10.477  -3.074 -15.018
  252    HG1  THR  35           HG1      THR  35   8.809  -1.625 -15.538
  253   HG21  THR  35          HG21      THR  35   7.669  -3.940 -14.153
  254   HG22  THR  35          HG22      THR  35   8.245  -3.831 -15.832
  255   HG23  THR  35          HG23      THR  35   8.950  -5.022 -14.740
  256    H    GLY  36           H        GLY  36  12.527  -2.961 -12.065
  257    HA2  GLY  36           HA2      GLY  36  14.224  -4.409 -11.542
  258    HA3  GLY  36           HA3      GLY  36  12.960  -5.618 -11.237
  259    H    ASN  37           H        ASN  37  13.433  -4.324 -14.457
  260    HA   ASN  37           HA       ASN  37  14.114  -7.016 -15.409
  261    HB2  ASN  37           HB2      ASN  37  13.640  -4.473 -16.985
  262    HB3  ASN  37           HB3      ASN  37  13.776  -6.109 -17.635
  263   HD21  ASN  37          HD21      ASN  37  10.506  -7.069 -16.323
  264   HD22  ASN  37          HD22      ASN  37  12.137  -7.721 -16.291
  265    H    LEU  38           H        LEU  38  16.147  -6.919 -14.191
  266    HA   LEU  38           HA       LEU  38  18.370  -5.819 -15.853
  267    HB2  LEU  38           HB2      LEU  38  19.616  -5.187 -14.046
  268    HB3  LEU  38           HB3      LEU  38  18.008  -4.605 -13.662
  269    HG   LEU  38           HG       LEU  38  19.414  -7.046 -12.466
  270   HD11  LEU  38          HD11      LEU  38  18.669  -4.317 -11.377
  271   HD12  LEU  38          HD12      LEU  38  19.188  -5.667 -10.364
  272   HD13  LEU  38          HD13      LEU  38  20.300  -5.018 -11.564
  273   HD21  LEU  38          HD21      LEU  38  16.975  -7.487 -12.482
  274   HD22  LEU  38          HD22      LEU  38  17.568  -7.172 -10.859
  275   HD23  LEU  38          HD23      LEU  38  16.693  -5.893 -11.726
  276    H    THR  39           H        THR  39  20.350  -6.891 -15.966
  277    HA   THR  39           HA       THR  39  20.541  -9.616 -14.800
  278    HB   THR  39           HB       THR  39  19.662  -9.811 -17.131
  279    HG1  THR  39           HG1      THR  39  21.438 -11.392 -17.555
  280   HG21  THR  39          HG21      THR  39  22.477  -8.997 -17.948
  281   HG22  THR  39          HG22      THR  39  21.192  -9.629 -18.996
  282   HG23  THR  39          HG23      THR  39  20.999  -8.044 -18.233
  283    H    ILE  40           H        ILE  40  22.781 -10.497 -15.011
  284    HA   ILE  40           HA       ILE  40  24.759  -8.326 -14.347
  285    HB   ILE  40           HB       ILE  40  24.278 -10.994 -12.996
  286   HG12  ILE  40          HG12      ILE  40  24.080  -8.218 -11.739
  287   HG13  ILE  40          HG13      ILE  40  22.683  -9.024 -12.442
  288   HG21  ILE  40          HG21      ILE  40  26.339  -8.904 -12.146
  289   HG22  ILE  40          HG22      ILE  40  26.108 -10.563 -11.527
  290   HG23  ILE  40          HG23      ILE  40  26.752 -10.322 -13.123
  291   HD11  ILE  40          HD11      ILE  40  24.334 -10.121 -10.148
  292   HD12  ILE  40          HD12      ILE  40  22.707  -9.420 -10.074
  293   HD13  ILE  40          HD13      ILE  40  22.951 -10.939 -10.933
  294    H    ASN  41           H        ASN  41  26.574  -8.419 -15.462
  295    HA   ASN  41           HA       ASN  41  27.306 -10.898 -16.955
  296    HB2  ASN  41           HB2      ASN  41  27.787  -8.043 -17.883
  297    HB3  ASN  41           HB3      ASN  41  27.897  -9.522 -18.821
  298   HD21  ASN  41          HD21      ASN  41  24.278  -7.615 -18.329
  299   HD22  ASN  41          HD22      ASN  41  25.662  -7.201 -17.322
  300    H    GLU  42           H        GLU  42  29.583 -11.446 -16.846
  301    HA   GLU  42           HA       GLU  42  31.331  -9.343 -15.713
  302    HB2  GLU  42           HB2      GLU  42  32.371 -10.736 -14.125
  303    HB3  GLU  42           HB3      GLU  42  30.655 -11.002 -13.945
  304    HG2  GLU  42           HG2      GLU  42  31.404 -13.152 -13.854
  305    HG3  GLU  42           HG3      GLU  42  31.098 -12.992 -15.591
  306    H    ARG  43           H        ARG  43  33.533  -9.409 -16.180
  307    HA   ARG  43           HA       ARG  43  34.320 -11.158 -18.471
  308    HB2  ARG  43           HB2      ARG  43  33.983  -8.799 -19.201
  309    HB3  ARG  43           HB3      ARG  43  35.253  -8.300 -18.088
  310    HG2  ARG  43           HG2      ARG  43  36.880  -9.777 -19.263
  311    HG3  ARG  43           HG3      ARG  43  35.599 -10.274 -20.389
  312    HD2  ARG  43           HD2      ARG  43  35.345  -7.927 -21.134
  313    HD3  ARG  43           HD3      ARG  43  36.616  -7.427 -19.994
  314    HE   ARG  43           HE       ARG  43  37.649  -9.496 -21.666
  315   HH11  ARG  43          HH11      ARG  43  36.718  -6.131 -21.993
  316   HH12  ARG  43          HH12      ARG  43  37.821  -5.859 -23.314
  317   HH21  ARG  43          HH21      ARG  43  39.033  -9.082 -23.355
  318   HH22  ARG  43          HH22      ARG  43  39.097  -7.495 -24.062
  319    HA   PRO  44           HA       PRO  44  37.190 -12.196 -15.194
  320    HB2  PRO  44           HB2      PRO  44  37.969 -14.645 -16.095
  321    HB3  PRO  44           HB3      PRO  44  36.339 -14.337 -15.443
  322    HG2  PRO  44           HG2      PRO  44  37.212 -14.447 -18.345
  323    HG3  PRO  44           HG3      PRO  44  35.791 -15.226 -17.581
  324    HD2  PRO  44           HD2      PRO  44  35.650 -12.831 -18.912
  325    HD3  PRO  44           HD3      PRO  44  34.584 -13.239 -17.539
  326    H    SER  45           H        SER  45  39.307 -11.615 -14.912
  327    HA   SER  45           HA       SER  45  41.247 -11.885 -17.114
  328    HB2  SER  45           HB2      SER  45  41.950  -9.528 -17.030
  329    HB3  SER  45           HB3      SER  45  40.332  -9.759 -17.692
  330    HG   SER  45           HG       SER  45  39.439  -9.043 -15.764
  331    H    ALA  46           H        ALA  46  42.998 -12.751 -16.336
  332    HA   ALA  46           HA       ALA  46  43.415 -13.157 -13.578
  333    HB1  ALA  46           HB1      ALA  46  45.339 -13.527 -15.921
  334    HB2  ALA  46           HB2      ALA  46  45.480 -14.295 -14.324
  335    HB3  ALA  46           HB3      ALA  46  44.114 -14.701 -15.378
  336    H    ARG  47           H        ARG  47  44.364 -10.438 -15.420
  337    HA   ARG  47           HA       ARG  47  46.518  -9.316 -14.005
  338    HB2  ARG  47           HB2      ARG  47  45.675  -7.175 -14.759
  339    HB3  ARG  47           HB3      ARG  47  45.426  -8.371 -16.027
  340    HG2  ARG  47           HG2      ARG  47  43.016  -8.612 -15.105
  341    HG3  ARG  47           HG3      ARG  47  43.330  -7.159 -14.164
  342    HD2  ARG  47           HD2      ARG  47  43.532  -7.348 -17.195
  343    HD3  ARG  47           HD3      ARG  47  42.120  -6.762 -16.299
  344    HE   ARG  47           HE       ARG  47  44.389  -5.268 -15.440
  345   HH11  ARG  47          HH11      ARG  47  42.386  -5.537 -18.305
  346   HH12  ARG  47          HH12      ARG  47  42.696  -3.892 -18.790
  347   HH21  ARG  47          HH21      ARG  47  44.750  -3.180 -16.121
  348   HH22  ARG  47          HH22      ARG  47  44.001  -2.596 -17.576
  349    H    ALA  48           H        ALA  48  43.160  -9.634 -12.891
  350    HA   ALA  48           HA       ALA  48  43.916  -8.811 -10.174
  351    HB1  ALA  48           HB1      ALA  48  42.169  -7.044 -11.942
  352    HB2  ALA  48           HB2      ALA  48  42.311  -6.869 -10.183
  353    HB3  ALA  48           HB3      ALA  48  43.727  -6.620 -11.210
  354    H    GLY  49           H        GLY  49  41.349 -10.130 -12.318
  355    HA2  GLY  49           HA2      GLY  49  40.007 -11.762 -10.670
  356    HA3  GLY  49           HA3      GLY  49  39.420 -10.216 -10.066
  357    H    SER  50           H        SER  50  37.606  -9.410 -10.985
  358    HA   SER  50           HA       SER  50  36.980 -10.043 -13.814
  359    HB2  SER  50           HB2      SER  50  34.593 -10.439 -13.180
  360    HB3  SER  50           HB3      SER  50  35.709 -11.738 -12.728
  361    HG   SER  50           HG       SER  50  34.369 -11.333 -11.002
  362    H    TRP  51           H        TRP  51  35.810  -8.559 -14.928
  363    HA   TRP  51           HA       TRP  51  35.019  -6.005 -13.598
  364    HB2  TRP  51           HB2      TRP  51  35.352  -6.942 -16.413
  365    HB3  TRP  51           HB3      TRP  51  33.979  -5.899 -16.111
  366    HD1  TRP  51           HD1      TRP  51  37.640  -5.779 -16.675
  367    HE1  TRP  51           HE1      TRP  51  38.501  -3.372 -16.505
  368    HE3  TRP  51           HE3      TRP  51  33.473  -3.594 -14.655
  369    HZ2  TRP  51           HZ2      TRP  51  37.456  -0.780 -15.711
  370    HZ3  TRP  51           HZ3      TRP  51  33.442  -1.145 -14.199
  371    HH2  TRP  51           HH2      TRP  51  35.397   0.262 -14.740
  372    H    ILE  52           H        ILE  52  32.965  -5.757 -12.869
  373    HA   ILE  52           HA       ILE  52  30.845  -7.705 -13.712
  374    HB   ILE  52           HB       ILE  52  30.934  -5.935 -11.237
  375   HG12  ILE  52          HG12      ILE  52  32.580  -7.670 -10.925
  376   HG13  ILE  52          HG13      ILE  52  31.170  -7.992  -9.929
  377   HG21  ILE  52          HG21      ILE  52  28.927  -8.049 -12.156
  378   HG22  ILE  52          HG22      ILE  52  28.982  -7.338 -10.529
  379   HG23  ILE  52          HG23      ILE  52  28.637  -6.309 -11.913
  380   HD11  ILE  52          HD11      ILE  52  31.741  -9.345 -12.591
  381   HD12  ILE  52          HD12      ILE  52  32.120 -10.036 -11.025
  382   HD13  ILE  52          HD13      ILE  52  30.423  -9.759 -11.479
  383    H    THR  53           H        THR  53  29.213  -6.962 -14.861
  384    HA   THR  53           HA       THR  53  28.692  -4.019 -15.068
  385    HB   THR  53           HB       THR  53  28.940  -5.965 -17.399
  386    HG1  THR  53           HG1      THR  53  30.794  -4.778 -17.878
  387   HG21  THR  53          HG21      THR  53  28.557  -2.939 -17.365
  388   HG22  THR  53          HG22      THR  53  28.754  -3.948 -18.806
  389   HG23  THR  53          HG23      THR  53  27.296  -4.111 -17.813
  390    H    ILE  54           H        ILE  54  26.634  -3.664 -14.520
  391    HA   ILE  54           HA       ILE  54  24.620  -5.831 -14.931
  392    HB   ILE  54           HB       ILE  54  24.763  -5.389 -12.685
  393   HG12  ILE  54          HG12      ILE  54  22.439  -5.598 -13.532
  394   HG13  ILE  54          HG13      ILE  54  22.636  -4.799 -11.984
  395   HG21  ILE  54          HG21      ILE  54  24.654  -2.429 -13.293
  396   HG22  ILE  54          HG22      ILE  54  24.403  -3.113 -11.666
  397   HG23  ILE  54          HG23      ILE  54  25.946  -3.355 -12.495
  398   HD11  ILE  54          HD11      ILE  54  21.897  -3.452 -14.613
  399   HD12  ILE  54          HD12      ILE  54  20.938  -3.605 -13.162
  400   HD13  ILE  54          HD13      ILE  54  22.358  -2.571 -13.141
  401    H    THR  55           H        THR  55  23.061  -5.649 -16.303
  402    HA   THR  55           HA       THR  55  22.684  -3.061 -17.733
  403    HB   THR  55           HB       THR  55  22.121  -4.498 -19.739
  404    HG1  THR  55           HG1      THR  55  22.589  -6.609 -19.689
  405   HG21  THR  55          HG21      THR  55  24.956  -4.717 -18.609
  406   HG22  THR  55          HG22      THR  55  24.494  -5.113 -20.276
  407   HG23  THR  55          HG23      THR  55  24.327  -3.458 -19.693
  408    H    VAL  56           H        VAL  56  20.651  -2.375 -18.155
  409    HA   VAL  56           HA       VAL  56  18.351  -3.949 -17.053
  410    HB   VAL  56           HB       VAL  56  18.786  -0.973 -17.359
  411   HG11  VAL  56          HG11      VAL  56  16.107  -2.404 -16.975
  412   HG12  VAL  56          HG12      VAL  56  16.395  -0.680 -16.645
  413   HG13  VAL  56          HG13      VAL  56  16.550  -1.288 -18.293
  414   HG21  VAL  56          HG21      VAL  56  19.407  -2.268 -15.266
  415   HG22  VAL  56          HG22      VAL  56  18.168  -1.023 -14.996
  416   HG23  VAL  56          HG23      VAL  56  17.707  -2.733 -15.104
  417    H    ASN  57           H        ASN  57  17.276  -4.992 -18.436
  418    HA   ASN  57           HA       ASN  57  16.609  -6.012 -20.327
  419    HB2  ASN  57           HB2      ASN  57  16.256  -3.198 -21.424
  420    HB3  ASN  57           HB3      ASN  57  15.622  -4.669 -22.142
  421   HD21  ASN  57          HD21      ASN  57  13.517  -2.923 -19.225
  422   HD22  ASN  57          HD22      ASN  57  14.942  -2.184 -19.941
  423    H    GLN  58           H        GLN  58  18.403  -3.347 -21.840
  424    HA   GLN  58           HA       GLN  58  20.466  -5.179 -22.917
  425    HB2  GLN  58           HB2      GLN  58  20.114  -4.370 -25.217
  426    HB3  GLN  58           HB3      GLN  58  18.721  -5.246 -24.595
  427    HG2  GLN  58           HG2      GLN  58  17.479  -3.180 -24.223
  428    HG3  GLN  58           HG3      GLN  58  18.889  -2.202 -24.627
  429   HE21  GLN  58          HE21      GLN  58  18.511  -2.691 -28.182
  430   HE22  GLN  58          HE22      GLN  58  19.687  -2.303 -26.936
  431    H    ASP  59           H        ASP  59  20.008  -2.523 -21.153
  432    HA   ASP  59           HA       ASP  59  22.169  -0.866 -22.427
  433    HB2  ASP  59           HB2      ASP  59  19.709  -0.096 -20.817
  434    HB3  ASP  59           HB3      ASP  59  21.031   1.010 -21.158
  435    H    VAL  60           H        VAL  60  23.982  -0.443 -21.231
  436    HA   VAL  60           HA       VAL  60  24.197  -1.559 -18.529
  437    HB   VAL  60           HB       VAL  60  26.110  -1.704 -19.998
  438   HG11  VAL  60          HG11      VAL  60  26.342   1.332 -19.865
  439   HG12  VAL  60          HG12      VAL  60  27.506   0.209 -20.590
  440   HG13  VAL  60          HG13      VAL  60  25.901   0.388 -21.305
  441   HG21  VAL  60          HG21      VAL  60  26.459  -1.597 -17.532
  442   HG22  VAL  60          HG22      VAL  60  27.837  -0.987 -18.470
  443   HG23  VAL  60          HG23      VAL  60  26.756   0.157 -17.672
  444    H    ILE  61           H        ILE  61  24.182  -0.608 -16.619
  445    HA   ILE  61           HA       ILE  61  23.831   2.369 -16.483
  446    HB   ILE  61           HB       ILE  61  22.335   1.892 -14.501
  447   HG12  ILE  61          HG12      ILE  61  21.671  -0.736 -15.830
  448   HG13  ILE  61          HG13      ILE  61  22.836  -0.641 -14.499
  449   HG21  ILE  61          HG21      ILE  61  21.243   1.210 -17.253
  450   HG22  ILE  61          HG22      ILE  61  20.339   1.912 -15.887
  451   HG23  ILE  61          HG23      ILE  61  21.609   2.851 -16.671
  452   HD11  ILE  61          HD11      ILE  61  19.977   0.399 -14.317
  453   HD12  ILE  61          HD12      ILE  61  20.538  -1.156 -13.717
  454   HD13  ILE  61          HD13      ILE  61  21.190   0.337 -13.022
  455    H    PHE  62           H        PHE  62  25.279  -0.500 -14.995
  456    HA   PHE  62           HA       PHE  62  27.067   1.299 -13.566
  457    HB2  PHE  62           HB2      PHE  62  25.405   1.177 -11.875
  458    HB3  PHE  62           HB3      PHE  62  25.161  -0.542 -12.085
  459    HD1  PHE  62           HD1      PHE  62  26.408  -2.070 -10.646
  460    HD2  PHE  62           HD2      PHE  62  27.736   2.013 -11.094
  461    HE1  PHE  62           HE1      PHE  62  28.251  -2.484  -9.018
  462    HE2  PHE  62           HE2      PHE  62  29.537   1.598  -9.443
  463    HZ   PHE  62           HZ       PHE  62  29.789  -0.643  -8.407
  464    H    GLN  63           H        GLN  63  29.011   0.386 -13.037
  465    HA   GLN  63           HA       GLN  63  29.484  -2.434 -13.310
  466    HB2  GLN  63           HB2      GLN  63  31.144  -2.324 -15.135
  467    HB3  GLN  63           HB3      GLN  63  29.512  -1.931 -15.664
  468    HG2  GLN  63           HG2      GLN  63  30.091   0.503 -15.610
  469    HG3  GLN  63           HG3      GLN  63  31.753   0.074 -15.197
  470   HE21  GLN  63          HE21      GLN  63  32.328  -1.406 -18.523
  471   HE22  GLN  63          HE22      GLN  63  32.605  -1.834 -16.845
  472    H    THR  64           H        THR  64  31.453  -3.128 -12.460
  473    HA   THR  64           HA       THR  64  33.414  -1.221 -11.387
  474    HB   THR  64           HB       THR  64  31.560  -1.088  -9.769
  475    HG1  THR  64           HG1      THR  64  32.893  -1.322  -8.007
  476   HG21  THR  64          HG21      THR  64  32.158  -4.006  -9.092
  477   HG22  THR  64          HG22      THR  64  30.982  -2.929  -8.308
  478   HG23  THR  64          HG23      THR  64  30.709  -3.459  -9.968
  479    H    PHE  65           H        PHE  65  35.126  -2.403 -10.094
  480    HA   PHE  65           HA       PHE  65  35.705  -5.009 -11.418
  481    HB2  PHE  65           HB2      PHE  65  37.256  -2.812 -11.365
  482    HB3  PHE  65           HB3      PHE  65  37.800  -3.553  -9.870
  483    HD1  PHE  65           HD1      PHE  65  38.130  -3.473 -13.426
  484    HD2  PHE  65           HD2      PHE  65  38.503  -6.102 -10.034
  485    HE1  PHE  65           HE1      PHE  65  39.492  -5.048 -14.788
  486    HE2  PHE  65           HE2      PHE  65  39.775  -7.705 -11.418
  487    HZ   PHE  65           HZ       PHE  65  40.275  -7.171 -13.816
  488    H    LEU  66           H        LEU  66  35.800  -6.863 -10.292
  489    HA   LEU  66           HA       LEU  66  35.702  -6.811  -7.312
  490    HB2  LEU  66           HB2      LEU  66  34.657  -8.738  -9.375
  491    HB3  LEU  66           HB3      LEU  66  35.104  -9.324  -7.782
  492    HG   LEU  66           HG       LEU  66  32.957  -7.266  -8.324
  493   HD11  LEU  66          HD11      LEU  66  32.844 -10.116  -7.210
  494   HD12  LEU  66          HD12      LEU  66  31.494  -9.062  -7.673
  495   HD13  LEU  66          HD13      LEU  66  32.569  -9.727  -8.905
  496   HD21  LEU  66          HD21      LEU  66  33.916  -6.789  -6.112
  497   HD22  LEU  66          HD22      LEU  66  32.401  -7.678  -5.888
  498   HD23  LEU  66          HD23      LEU  66  33.958  -8.516  -5.716
  499    H    PHE  67           H        PHE  67  37.070  -7.953  -6.113
  500    HA   PHE  67           HA       PHE  67  39.474  -9.169  -7.435
  501    HB2  PHE  67           HB2      PHE  67  39.437  -7.543  -4.881
  502    HB3  PHE  67           HB3      PHE  67  40.848  -8.160  -5.727
  503    HD1  PHE  67           HD1      PHE  67  41.624  -7.062  -7.833
  504    HD2  PHE  67           HD2      PHE  67  38.262  -5.539  -5.599
  505    HE1  PHE  67           HE1      PHE  67  41.760  -4.906  -9.076
  506    HE2  PHE  67           HE2      PHE  67  38.384  -3.408  -6.864
  507    HZ   PHE  67           HZ       PHE  67  40.139  -3.090  -8.601
  508    HA   PRO  68           HA       PRO  68  38.189 -12.621  -4.919
  509    HB2  PRO  68           HB2      PRO  68  40.079 -14.458  -5.593
  510    HB3  PRO  68           HB3      PRO  68  38.870 -13.847  -6.764
  511    HG2  PRO  68           HG2      PRO  68  41.718 -12.843  -6.358
  512    HG3  PRO  68           HG3      PRO  68  40.935 -13.342  -7.900
  513    HD2  PRO  68           HD2      PRO  68  41.073 -10.762  -7.143
  514    HD3  PRO  68           HD3      PRO  68  39.615 -11.421  -7.957
  515    H    LEU  69           H        LEU  69  41.538 -11.433  -4.557
  516    HA   LEU  69           HA       LEU  69  42.003 -12.883  -2.067
  517    HB2  LEU  69           HB2      LEU  69  43.734 -12.411  -3.787
  518    HB3  LEU  69           HB3      LEU  69  43.564 -10.682  -3.483
  519    HG   LEU  69           HG       LEU  69  44.434 -10.988  -1.180
  520   HD11  LEU  69          HD11      LEU  69  44.794 -13.905  -2.010
  521   HD12  LEU  69          HD12      LEU  69  45.500 -13.154  -0.562
  522   HD13  LEU  69          HD13      LEU  69  43.748 -13.305  -0.702
  523   HD21  LEU  69          HD21      LEU  69  45.966 -10.494  -3.043
  524   HD22  LEU  69          HD22      LEU  69  46.745 -11.500  -1.811
  525   HD23  LEU  69          HD23      LEU  69  46.188 -12.235  -3.331
  526    H    LYS  70           H        LYS  70  40.671  -9.810  -2.900
  527    HA   LYS  70           HA       LYS  70  41.205  -8.509  -0.308
  528    HB2  LYS  70           HB2      LYS  70  41.310  -7.421  -2.631
  529    HB3  LYS  70           HB3      LYS  70  39.542  -7.477  -2.629
  530    HG2  LYS  70           HG2      LYS  70  39.524  -6.045  -0.588
  531    HG3  LYS  70           HG3      LYS  70  41.300  -6.008  -0.607
  532    HD2  LYS  70           HD2      LYS  70  41.269  -4.910  -2.825
  533    HD3  LYS  70           HD3      LYS  70  39.508  -5.061  -2.886
  534    HE2  LYS  70           HE2      LYS  70  39.555  -3.704  -0.629
  535    HE3  LYS  70           HE3      LYS  70  41.206  -3.281  -1.099
  536    HZ1  LYS  70           HZ1      LYS  70  38.729  -2.782  -2.689
  537    HZ2  LYS  70           HZ2      LYS  70  39.609  -1.630  -1.913
  538    HZ3  LYS  70           HZ3      LYS  70  40.250  -2.394  -3.210
  539    H    ARG  71           H        ARG  71  39.616  -7.800   1.150
  540    HA   ARG  71           HA       ARG  71  37.298  -9.593   1.393
  541    HB2  ARG  71           HB2      ARG  71  37.149  -8.871   3.665
  542    HB3  ARG  71           HB3      ARG  71  38.815  -9.265   3.268
  543    HG2  ARG  71           HG2      ARG  71  39.387  -6.857   3.127
  544    HG3  ARG  71           HG3      ARG  71  37.691  -6.422   3.361
  545    HD2  ARG  71           HD2      ARG  71  38.854  -6.122   5.443
  546    HD3  ARG  71           HD3      ARG  71  37.718  -7.474   5.598
  547    HE   ARG  71           HE       ARG  71  40.381  -8.370   4.845
  548   HH11  ARG  71          HH11      ARG  71  38.589  -7.322   7.671
  549   HH12  ARG  71          HH12      ARG  71  39.606  -8.220   8.764
  550   HH21  ARG  71          HH21      ARG  71  41.631  -9.506   6.295
  551   HH22  ARG  71          HH22      ARG  71  41.289  -9.415   7.997
  552    H    ASP  72           H        ASP  72  37.401  -6.869  -0.343
  553    HA   ASP  72           HA       ASP  72  35.078  -5.512   0.793
  554    HB2  ASP  72           HB2      ASP  72  35.433  -3.776  -0.711
  555    HB3  ASP  72           HB3      ASP  72  36.993  -4.263  -0.075
  556    H    PHE  73           H        PHE  73  35.232  -8.152  -1.294
  557    HA   PHE  73           HA       PHE  73  33.339  -7.775  -3.264
  558    HB2  PHE  73           HB2      PHE  73  34.499  -9.826  -3.123
  559    HB3  PHE  73           HB3      PHE  73  33.958 -10.158  -1.488
  560    HD1  PHE  73           HD1      PHE  73  33.220 -10.599  -5.011
  561    HD2  PHE  73           HD2      PHE  73  31.560 -10.853  -1.037
  562    HE1  PHE  73           HE1      PHE  73  31.308 -11.925  -5.892
  563    HE2  PHE  73           HE2      PHE  73  29.648 -12.151  -1.921
  564    HZ   PHE  73           HZ       PHE  73  29.501 -12.658  -4.331
  565    H    GLU  74           H        GLU  74  32.493  -8.563   0.152
  566    HA   GLU  74           HA       GLU  74  29.676  -8.719  -0.272
  567    HB2  GLU  74           HB2      GLU  74  31.117  -9.413   1.759
  568    HB3  GLU  74           HB3      GLU  74  31.005  -7.724   2.272
  569    HG2  GLU  74           HG2      GLU  74  28.505  -7.921   2.241
  570    HG3  GLU  74           HG3      GLU  74  28.668  -9.610   1.746
  571    H    LYS  75           H        LYS  75  31.756  -5.980   0.537
  572    HA   LYS  75           HA       LYS  75  29.596  -4.058   0.879
  573    HB2  LYS  75           HB2      LYS  75  32.605  -3.611   0.493
  574    HB3  LYS  75           HB3      LYS  75  31.411  -2.379   0.894
  575    HG2  LYS  75           HG2      LYS  75  32.036  -2.821   3.017
  576    HG3  LYS  75           HG3      LYS  75  30.807  -4.076   2.871
  577    HD2  LYS  75           HD2      LYS  75  32.856  -5.571   2.047
  578    HD3  LYS  75           HD3      LYS  75  33.839  -4.327   2.813
  579    HE2  LYS  75           HE2      LYS  75  31.579  -5.905   4.136
  580    HE3  LYS  75           HE3      LYS  75  33.289  -6.331   4.247
  581    HZ1  LYS  75           HZ1      LYS  75  32.097  -3.806   5.307
  582    HZ2  LYS  75           HZ2      LYS  75  32.606  -5.070   6.200
  583    HZ3  LYS  75           HZ3      LYS  75  33.691  -4.181   5.369
  584    H    THR  76           H        THR  76  31.840  -4.814  -1.808
  585    HA   THR  76           HA       THR  76  30.758  -3.015  -3.724
  586    HB   THR  76           HB       THR  76  32.063  -5.737  -4.085
  587    HG1  THR  76           HG1      THR  76  33.879  -4.410  -4.436
  588   HG21  THR  76          HG21      THR  76  31.484  -3.537  -6.118
  589   HG22  THR  76          HG22      THR  76  32.666  -4.851  -6.375
  590   HG23  THR  76          HG23      THR  76  30.946  -5.226  -6.194
  591    H    VAL  77           H        VAL  77  29.643  -6.340  -2.880
  592    HA   VAL  77           HA       VAL  77  27.518  -6.455  -4.825
  593    HB   VAL  77           HB       VAL  77  27.926  -7.838  -2.155
  594   HG11  VAL  77          HG11      VAL  77  25.631  -8.228  -4.125
  595   HG12  VAL  77          HG12      VAL  77  26.030  -9.326  -2.787
  596   HG13  VAL  77          HG13      VAL  77  25.481  -7.702  -2.429
  597   HG21  VAL  77          HG21      VAL  77  29.332  -8.495  -4.167
  598   HG22  VAL  77          HG22      VAL  77  28.342  -9.789  -3.490
  599   HG23  VAL  77          HG23      VAL  77  27.821  -8.969  -4.976
  600    H    VAL  78           H        VAL  78  27.415  -5.419  -1.353
  601    HA   VAL  78           HA       VAL  78  24.644  -4.686  -1.436
  602    HB   VAL  78           HB       VAL  78  26.900  -3.795   0.396
  603   HG11  VAL  78          HG11      VAL  78  23.895  -3.342   0.707
  604   HG12  VAL  78          HG12      VAL  78  25.102  -3.117   1.990
  605   HG13  VAL  78          HG13      VAL  78  25.146  -2.085   0.563
  606   HG21  VAL  78          HG21      VAL  78  26.279  -6.224   0.467
  607   HG22  VAL  78          HG22      VAL  78  25.881  -5.383   1.966
  608   HG23  VAL  78          HG23      VAL  78  24.598  -5.766   0.795
  609    H    ALA  79           H        ALA  79  27.581  -2.791  -2.127
  610    HA   ALA  79           HA       ALA  79  26.216  -0.267  -2.419
  611    HB1  ALA  79           HB1      ALA  79  28.901  -1.268  -3.463
  612    HB2  ALA  79           HB2      ALA  79  28.399   0.440  -3.316
  613    HB3  ALA  79           HB3      ALA  79  28.606  -0.555  -1.862
  614    H    ALA  80           H        ALA  80  26.927  -2.930  -4.740
  615    HA   ALA  80           HA       ALA  80  26.206  -1.459  -7.099
  616    HB1  ALA  80           HB1      ALA  80  26.009  -4.451  -6.511
  617    HB2  ALA  80           HB2      ALA  80  26.030  -3.680  -8.113
  618    HB3  ALA  80           HB3      ALA  80  27.470  -3.608  -7.073
  619    H    LEU  81           H        LEU  81  24.226  -2.952  -4.581
  620    HA   LEU  81           HA       LEU  81  21.755  -3.144  -6.064
  621    HB2  LEU  81           HB2      LEU  81  21.997  -2.515  -3.098
  622    HB3  LEU  81           HB3      LEU  81  20.660  -3.284  -3.922
  623    HG   LEU  81           HG       LEU  81  23.403  -4.519  -3.553
  624   HD11  LEU  81          HD11      LEU  81  20.844  -5.028  -2.018
  625   HD12  LEU  81          HD12      LEU  81  22.398  -5.881  -1.821
  626   HD13  LEU  81          HD13      LEU  81  22.271  -4.162  -1.409
  627   HD21  LEU  81          HD21      LEU  81  22.146  -5.488  -5.466
  628   HD22  LEU  81          HD22      LEU  81  22.355  -6.642  -4.140
  629   HD23  LEU  81          HD23      LEU  81  20.794  -5.842  -4.362
  630    H    ILE  82           H        ILE  82  23.086  -0.606  -3.946
  631    HA   ILE  82           HA       ILE  82  21.008   1.340  -4.393
  632    HB   ILE  82           HB       ILE  82  23.880   1.721  -3.445
  633   HG12  ILE  82          HG12      ILE  82  21.317   1.396  -1.810
  634   HG13  ILE  82          HG13      ILE  82  22.516   0.128  -2.041
  635   HG21  ILE  82          HG21      ILE  82  21.450   3.557  -3.177
  636   HG22  ILE  82          HG22      ILE  82  23.052   3.853  -2.475
  637   HG23  ILE  82          HG23      ILE  82  22.861   3.853  -4.214
  638   HD11  ILE  82          HD11      ILE  82  22.948   2.726  -0.538
  639   HD12  ILE  82          HD12      ILE  82  22.902   1.078   0.102
  640   HD13  ILE  82          HD13      ILE  82  24.244   1.573  -0.949
  641    H    GLN  83           H        GLN  83  24.283   0.941  -5.846
  642    HA   GLN  83           HA       GLN  83  24.056   3.252  -7.520
  643    HB2  GLN  83           HB2      GLN  83  25.833   0.784  -7.682
  644    HB3  GLN  83           HB3      GLN  83  26.017   2.192  -8.737
  645    HG2  GLN  83           HG2      GLN  83  26.431   3.666  -6.886
  646    HG3  GLN  83           HG3      GLN  83  26.066   2.427  -5.692
  647   HE21  GLN  83          HE21      GLN  83  29.191   0.690  -6.114
  648   HE22  GLN  83          HE22      GLN  83  27.468   0.407  -5.799
  649    H    THR  84           H        THR  84  22.905  -0.040  -8.024
  650    HA   THR  84           HA       THR  84  22.282   0.184 -10.833
  651    HB   THR  84           HB       THR  84  21.003  -1.471  -8.628
  652    HG1  THR  84           HG1      THR  84  23.081  -2.093  -9.007
  653   HG21  THR  84          HG21      THR  84  20.778  -1.789 -11.630
  654   HG22  THR  84          HG22      THR  84  20.172  -2.902 -10.393
  655   HG23  THR  84          HG23      THR  84  19.448  -1.296 -10.568
  656    H    GLU  85           H        GLU  85  20.312   0.977  -7.851
  657    HA   GLU  85           HA       GLU  85  18.137   1.901  -9.595
  658    HB2  GLU  85           HB2      GLU  85  16.954   2.520  -7.671
  659    HB3  GLU  85           HB3      GLU  85  17.613   0.910  -7.421
  660    HG2  GLU  85           HG2      GLU  85  19.193   1.672  -5.831
  661    HG3  GLU  85           HG3      GLU  85  19.007   3.365  -6.294
  662    H    GLU  86           H        GLU  86  20.875   3.497  -7.941
  663    HA   GLU  86           HA       GLU  86  20.029   6.163  -8.222
  664    HB2  GLU  86           HB2      GLU  86  22.748   4.854  -8.240
  665    HB3  GLU  86           HB3      GLU  86  22.584   6.601  -8.404
  666    HG2  GLU  86           HG2      GLU  86  21.148   5.176  -6.159
  667    HG3  GLU  86           HG3      GLU  86  22.865   5.539  -6.022
  668    H    ALA  87           H        ALA  87  21.367   4.069 -10.763
  669    HA   ALA  87           HA       ALA  87  21.637   6.098 -12.789
  670    HB1  ALA  87           HB1      ALA  87  20.954   3.122 -13.031
  671    HB2  ALA  87           HB2      ALA  87  21.562   4.170 -14.324
  672    HB3  ALA  87           HB3      ALA  87  22.597   3.803 -12.927
  673    H    LEU  88           H        LEU  88  18.881   4.098 -11.707
  674    HA   LEU  88           HA       LEU  88  17.140   5.010 -13.896
  675    HB2  LEU  88           HB2      LEU  88  16.528   3.233 -11.521
  676    HB3  LEU  88           HB3      LEU  88  15.560   3.398 -12.983
  677    HG   LEU  88           HG       LEU  88  18.310   2.097 -12.712
  678   HD11  LEU  88          HD11      LEU  88  15.601   0.977 -13.487
  679   HD12  LEU  88          HD12      LEU  88  17.118   0.070 -13.267
  680   HD13  LEU  88          HD13      LEU  88  16.346   0.842 -11.876
  681   HD21  LEU  88          HD21      LEU  88  18.279   3.134 -14.884
  682   HD22  LEU  88          HD22      LEU  88  17.949   1.415 -15.107
  683   HD23  LEU  88          HD23      LEU  88  16.606   2.570 -15.189
  684    H    ASN  89           H        ASN  89  17.735   5.806 -10.583
  685    HA   ASN  89           HA       ASN  89  15.344   7.091  -9.875
  686    HB2  ASN  89           HB2      ASN  89  18.179   7.073  -8.927
  687    HB3  ASN  89           HB3      ASN  89  17.258   8.445  -8.415
  688   HD21  ASN  89          HD21      ASN  89  16.698   5.026  -6.494
  689   HD22  ASN  89          HD22      ASN  89  17.823   5.196  -7.846
  690    H    ARG  90           H        ARG  90  17.967   8.375 -11.864
  691    HA   ARG  90           HA       ARG  90  16.526  10.988 -12.097
  692    HB2  ARG  90           HB2      ARG  90  19.010  10.732 -11.591
  693    HB3  ARG  90           HB3      ARG  90  19.225  10.259 -13.281
  694    HG2  ARG  90           HG2      ARG  90  18.349  12.459 -14.009
  695    HG3  ARG  90           HG3      ARG  90  17.943  12.871 -12.331
  696    HD2  ARG  90           HD2      ARG  90  20.353  12.707 -11.732
  697    HD3  ARG  90           HD3      ARG  90  20.754  12.388 -13.417
  698    HE   ARG  90           HE       ARG  90  19.956  14.941 -12.181
  699   HH11  ARG  90          HH11      ARG  90  20.419  13.361 -15.285
  700   HH12  ARG  90          HH12      ARG  90  20.538  14.878 -16.133
  701   HH21  ARG  90          HH21      ARG  90  20.115  16.823 -13.325
  702   HH22  ARG  90          HH22      ARG  90  20.370  16.787 -15.045
  703    H    ARG  91           H        ARG  91  16.448   8.061 -13.663
  704    HA   ARG  91           HA       ARG  91  15.844   9.098 -16.407
  705    HB2  ARG  91           HB2      ARG  91  15.870   6.293 -15.226
  706    HB3  ARG  91           HB3      ARG  91  15.419   6.657 -16.890
  707    HG2  ARG  91           HG2      ARG  91  17.632   7.419 -17.433
  708    HG3  ARG  91           HG3      ARG  91  18.141   7.362 -15.749
  709    HD2  ARG  91           HD2      ARG  91  18.747   5.186 -15.979
  710    HD3  ARG  91           HD3      ARG  91  17.108   4.744 -16.341
  711    HE   ARG  91           HE       ARG  91  19.309   5.379 -18.259
  712   HH11  ARG  91          HH11      ARG  91  15.963   4.285 -18.025
  713   HH12  ARG  91          HH12      ARG  91  15.943   3.784 -19.687
  714   HH21  ARG  91          HH21      ARG  91  19.181   4.714 -20.348
  715   HH22  ARG  91          HH22      ARG  91  17.714   4.014 -20.961
  716    H    GLN  92           H        GLN  92  14.218   7.231 -13.866
  717    HA   GLN  92           HA       GLN  92  11.538   8.052 -14.940
  718    HB2  GLN  92           HB2      GLN  92  10.848   5.675 -14.815
  719    HB3  GLN  92           HB3      GLN  92  12.005   6.054 -16.090
  720    HG2  GLN  92           HG2      GLN  92  13.824   4.989 -14.882
  721    HG3  GLN  92           HG3      GLN  92  12.828   4.767 -13.444
  722   HE21  GLN  92          HE21      GLN  92  10.987   1.997 -14.852
  723   HE22  GLN  92          HE22      GLN  92  10.861   3.296 -13.673
  724    H    ILE  93           H        ILE  93  13.213   6.584 -12.123
  725    HA   ILE  93           HA       ILE  93  10.754   6.412 -10.613
  726    HB   ILE  93           HB       ILE  93  13.440   6.535  -9.246
  727   HG12  ILE  93          HG12      ILE  93  12.300   4.124 -10.738
  728   HG13  ILE  93          HG13      ILE  93  13.790   4.978 -11.140
  729   HG21  ILE  93          HG21      ILE  93  10.914   4.923  -8.723
  730   HG22  ILE  93          HG22      ILE  93  12.347   5.008  -7.673
  731   HG23  ILE  93          HG23      ILE  93  11.353   6.432  -7.888
  732   HD11  ILE  93          HD11      ILE  93  13.346   3.259  -8.689
  733   HD12  ILE  93          HD12      ILE  93  14.408   2.959 -10.065
  734   HD13  ILE  93          HD13      ILE  93  14.776   4.292  -8.954
  735    H    ASN  94           H        ASN  94  12.834   9.069 -11.288
  736    HA   ASN  94           HA       ASN  94  12.381  10.793  -9.131
  737    HB2  ASN  94           HB2      ASN  94  13.645  10.958 -11.645
  738    HB3  ASN  94           HB3      ASN  94  12.349  12.118 -11.809
  739   HD21  ASN  94          HD21      ASN  94  15.462  12.824  -9.243
  740   HD22  ASN  94          HD22      ASN  94  15.188  11.213  -9.922
  741    H    GLN  95           H        GLN  95  10.291  10.279 -12.011
  742    HA   GLN  95           HA       GLN  95   8.325  12.260 -11.244
  743    HB2  GLN  95           HB2      GLN  95   8.132   9.870 -13.125
  744    HB3  GLN  95           HB3      GLN  95   6.897  11.120 -12.938
  745    HG2  GLN  95           HG2      GLN  95   8.581  12.852 -13.627
  746    HG3  GLN  95           HG3      GLN  95   9.745  11.567 -13.938
  747   HE21  GLN  95          HE21      GLN  95   8.141  10.516 -16.979
  748   HE22  GLN  95          HE22      GLN  95   9.247  10.025 -15.701
  749    H    ALA  96           H        ALA  96   8.606   8.739 -10.695
  750    HA   ALA  96           HA       ALA  96   6.040   8.393  -9.476
  751    HB1  ALA  96           HB1      ALA  96   8.604   6.773  -9.137
  752    HB2  ALA  96           HB2      ALA  96   6.963   6.246  -8.720
  753    HB3  ALA  96           HB3      ALA  96   7.384   6.550 -10.415
  754    H    LEU  97           H        LEU  97   9.293   8.931  -7.973
  755    HA   LEU  97           HA       LEU  97   8.206   8.983  -5.308
  756    HB2  LEU  97           HB2      LEU  97  10.362   9.512  -4.551
  757    HB3  LEU  97           HB3      LEU  97  10.481   8.343  -5.854
  758    HG   LEU  97           HG       LEU  97  10.962  10.502  -7.322
  759   HD11  LEU  97          HD11      LEU  97  11.990  11.360  -4.577
  760   HD12  LEU  97          HD12      LEU  97  12.289  12.184  -6.119
  761   HD13  LEU  97          HD13      LEU  97  10.664  12.156  -5.441
  762   HD21  LEU  97          HD21      LEU  97  12.526   8.633  -7.008
  763   HD22  LEU  97          HD22      LEU  97  13.384  10.176  -6.912
  764   HD23  LEU  97          HD23      LEU  97  13.006   9.276  -5.427
  765    H    LEU  98           H        LEU  98   8.761  11.554  -7.656
  766    HA   LEU  98           HA       LEU  98   8.178  13.765  -5.903
  767    HB2  LEU  98           HB2      LEU  98   9.313  14.090  -8.041
  768    HB3  LEU  98           HB3      LEU  98   7.936  13.405  -8.914
  769    HG   LEU  98           HG       LEU  98   6.519  15.304  -8.176
  770   HD11  LEU  98          HD11      LEU  98   9.136  16.446  -7.090
  771   HD12  LEU  98          HD12      LEU  98   7.611  17.342  -7.269
  772   HD13  LEU  98          HD13      LEU  98   7.715  15.998  -6.126
  773   HD21  LEU  98          HD21      LEU  98   7.667  15.341 -10.354
  774   HD22  LEU  98          HD22      LEU  98   7.548  16.971  -9.672
  775   HD23  LEU  98          HD23      LEU  98   9.093  16.093  -9.604
  776    H    SER  99           H        SER  99   6.133  11.725  -8.031
  777    HA   SER  99           HA       SER  99   3.730  13.137  -7.556
  778    HB2  SER  99           HB2      SER  99   4.139  11.590  -9.448
  779    HB3  SER  99           HB3      SER  99   4.100  10.215  -8.325
  780    HG   SER  99           HG       SER  99   2.066  10.615  -9.398
  781    H    THR 100           H        THR 100   5.360  10.703  -5.611
  782    HA   THR 100           HA       THR 100   3.763  11.051  -3.344
  783    HB   THR 100           HB       THR 100   2.000   9.818  -4.366
  784    HG1  THR 100           HG1      THR 100   1.810   8.184  -2.860
  785   HG21  THR 100          HG21      THR 100   3.812   7.421  -4.835
  786   HG22  THR 100          HG22      THR 100   2.082   7.568  -5.183
  787   HG23  THR 100          HG23      THR 100   3.245   8.524  -6.107
  788    H    GLY 101           H        GLY 101   5.417  11.181  -2.175
  789    HA2  GLY 101           HA2      GLY 101   6.585  10.106  -0.387
  790    HA3  GLY 101           HA3      GLY 101   6.758   8.651  -1.360
  791    H    ASP 102           H        ASP 102   7.757  12.096  -1.428
  792    HA   ASP 102           HA       ASP 102  10.232  11.751  -2.793
  793    HB2  ASP 102           HB2      ASP 102   9.508  13.814  -0.681
  794    HB3  ASP 102           HB3      ASP 102  10.931  13.860  -1.718
  795    H    LEU 103           H        LEU 103  12.402  11.977  -1.967
  796    HA   LEU 103           HA       LEU 103  13.008  10.088   0.116
  797    HB2  LEU 103           HB2      LEU 103  15.148  10.150  -0.645
  798    HB3  LEU 103           HB3      LEU 103  14.253  10.605  -2.090
  799    HG   LEU 103           HG       LEU 103  15.745  12.523  -0.238
  800   HD11  LEU 103          HD11      LEU 103  16.427  11.451  -3.008
  801   HD12  LEU 103          HD12      LEU 103  17.327  12.709  -2.140
  802   HD13  LEU 103          HD13      LEU 103  17.264  11.063  -1.488
  803   HD21  LEU 103          HD21      LEU 103  13.891  13.684  -1.383
  804   HD22  LEU 103          HD22      LEU 103  15.442  14.180  -2.055
  805   HD23  LEU 103          HD23      LEU 103  14.427  13.026  -2.950
  806    H    ALA 104           H        ALA 104  14.372  10.423   1.949
  807    HA   ALA 104           HA       ALA 104  14.672  13.132   3.053
  808    HB1  ALA 104           HB1      ALA 104  13.016  10.997   4.482
  809    HB2  ALA 104           HB2      ALA 104  13.389  12.620   5.103
  810    HB3  ALA 104           HB3      ALA 104  12.352  12.438   3.682
  811    H    HIS 105           H        HIS 105  16.559  11.003   2.249
  812    HA   HIS 105           HA       HIS 105  18.181  10.882   4.713
  813    HB2  HIS 105           HB2      HIS 105  16.826   8.881   4.961
  814    HB3  HIS 105           HB3      HIS 105  17.213   8.353   3.329
  815    HD2  HIS 105           HD2      HIS 105  19.253   6.765   3.098
  816    HE1  HIS 105           HE1      HIS 105  21.154   7.459   6.854
  817    HE2  HIS 105           HE2      HIS 105  21.215   6.074   4.718
  818    H    ASP 106           H        ASP 106  18.163   9.322   1.454
  819    HA   ASP 106           HA       ASP 106  21.046   9.694   1.268
  820    HB2  ASP 106           HB2      ASP 106  19.852   7.591   0.691
  821    HB3  ASP 106           HB3      ASP 106  19.113   8.413  -0.685
  822    H    GLU 107           H        GLU 107  20.085  12.148   1.385
  823    HA   GLU 107           HA       GLU 107  19.272  13.327  -1.132
  824    HB2  GLU 107           HB2      GLU 107  20.007  14.464   1.586
  825    HB3  GLU 107           HB3      GLU 107  19.492  15.465   0.224
  826    HG2  GLU 107           HG2      GLU 107  17.356  14.282   0.086
  827    HG3  GLU 107           HG3      GLU 107  17.839  13.172   1.370
  828    H    PHE 108           H        PHE 108  22.418  13.030   0.406
  829    HA   PHE 108           HA       PHE 108  23.764  14.122  -1.953
  830    HB2  PHE 108           HB2      PHE 108  25.091  15.716  -0.691
  831    HB3  PHE 108           HB3      PHE 108  23.386  16.114  -0.621
  832    HD1  PHE 108           HD1      PHE 108  22.096  15.872   1.487
  833    HD2  PHE 108           HD2      PHE 108  26.336  15.109   1.327
  834    HE1  PHE 108           HE1      PHE 108  22.218  16.023   3.968
  835    HE2  PHE 108           HE2      PHE 108  26.459  15.266   3.806
  836    HZ   PHE 108           HZ       PHE 108  24.399  15.721   5.129
  Start of MODEL    8
    1    H1   ALA   1           H1       ALA   1  -0.446   0.144  -1.911
    2    H2   ALA   1           H2       ALA   1  -1.991   0.530  -2.271
    3    H3   ALA   1           H3       ALA   1  -1.223  -0.628  -3.132
    4    HA   ALA   1           HA       ALA   1  -1.929  -0.763  -0.271
    5    HB1  ALA   1           HB1      ALA   1  -3.223  -2.257  -2.596
    6    HB2  ALA   1           HB2      ALA   1  -3.552  -2.521  -0.870
    7    HB3  ALA   1           HB3      ALA   1  -3.947  -0.967  -1.616
    8    H    VAL   2           H        VAL   2  -1.241  -3.279  -2.799
    9    HA   VAL   2           HA       VAL   2   1.170  -4.136  -1.333
   10    HB   VAL   2           HB       VAL   2  -0.708  -5.293  -0.223
   11   HG11  VAL   2          HG11      VAL   2  -1.190  -6.716  -2.871
   12   HG12  VAL   2          HG12      VAL   2  -1.962  -7.068  -1.313
   13   HG13  VAL   2          HG13      VAL   2  -2.279  -5.527  -2.119
   14   HG21  VAL   2          HG21      VAL   2   1.542  -6.333  -0.334
   15   HG22  VAL   2          HG22      VAL   2   0.221  -7.504  -0.208
   16   HG23  VAL   2          HG23      VAL   2   1.021  -7.255  -1.767
   17    H    GLU   3           H        GLU   3   2.584  -5.443  -2.555
   18    HA   GLU   3           HA       GLU   3   1.994  -5.863  -5.429
   19    HB2  GLU   3           HB2      GLU   3   4.117  -4.876  -6.029
   20    HB3  GLU   3           HB3      GLU   3   3.090  -3.690  -5.231
   21    HG2  GLU   3           HG2      GLU   3   4.393  -4.070  -3.102
   22    HG3  GLU   3           HG3      GLU   3   5.456  -5.166  -3.989
   23    H    VAL   4           H        VAL   4   3.612  -7.269  -6.506
   24    HA   VAL   4           HA       VAL   4   4.894  -9.280  -4.706
   25    HB   VAL   4           HB       VAL   4   3.031  -9.894  -7.036
   26   HG11  VAL   4          HG11      VAL   4   4.511 -11.792  -5.161
   27   HG12  VAL   4          HG12      VAL   4   3.287 -12.266  -6.356
   28   HG13  VAL   4          HG13      VAL   4   4.818 -11.595  -6.902
   29   HG21  VAL   4          HG21      VAL   4   1.723  -9.267  -5.063
   30   HG22  VAL   4          HG22      VAL   4   1.608 -11.005  -5.323
   31   HG23  VAL   4          HG23      VAL   4   2.673 -10.375  -4.048
   32    H    GLU   5           H        GLU   5   6.673 -10.308  -5.594
   33    HA   GLU   5           HA       GLU   5   8.169  -8.882  -7.629
   34    HB2  GLU   5           HB2      GLU   5   9.937 -10.515  -7.134
   35    HB3  GLU   5           HB3      GLU   5   9.358  -9.642  -5.733
   36    HG2  GLU   5           HG2      GLU   5   8.183 -12.375  -6.297
   37    HG3  GLU   5           HG3      GLU   5   9.822 -12.258  -5.675
   38    H    VAL   6           H        VAL   6   6.095  -9.460  -9.010
   39    HA   VAL   6           HA       VAL   6   6.055 -11.945 -10.455
   40    HB   VAL   6           HB       VAL   6   4.723  -9.259 -10.847
   41   HG11  VAL   6          HG11      VAL   6   4.384 -11.742 -12.599
   42   HG12  VAL   6          HG12      VAL   6   3.300 -10.334 -12.591
   43   HG13  VAL   6          HG13      VAL   6   4.966 -10.147 -13.136
   44   HG21  VAL   6          HG21      VAL   6   3.939 -10.706  -9.015
   45   HG22  VAL   6          HG22      VAL   6   2.715 -10.536 -10.276
   46   HG23  VAL   6          HG23      VAL   6   3.667 -12.032 -10.163
   47    HA   PRO   7           HA       PRO   7   8.513  -9.971 -13.965
   48    HB2  PRO   7           HB2      PRO   7   9.555  -7.497 -13.976
   49    HB3  PRO   7           HB3      PRO   7   7.815  -7.752 -14.268
   50    HG2  PRO   7           HG2      PRO   7   9.144  -7.063 -11.629
   51    HG3  PRO   7           HG3      PRO   7   7.766  -6.215 -12.410
   52    HD2  PRO   7           HD2      PRO   7   7.387  -8.114 -10.499
   53    HD3  PRO   7           HD3      PRO   7   6.277  -7.969 -11.895
   54    H    GLY   8           H        GLY   8  10.784  -9.636 -14.486
   55    HA2  GLY   8           HA2      GLY   8  13.018  -9.020 -13.239
   56    HA3  GLY   8           HA3      GLY   8  12.660 -10.470 -12.308
   57    H    LEU   9           H        LEU   9  14.900  -9.783 -14.204
   58    HA   LEU   9           HA       LEU   9  14.929 -12.377 -15.570
   59    HB2  LEU   9           HB2      LEU   9  15.563 -11.488 -17.773
   60    HB3  LEU   9           HB3      LEU   9  13.925 -11.170 -17.267
   61    HG   LEU   9           HG       LEU   9  14.606  -8.798 -16.709
   62   HD11  LEU   9          HD11      LEU   9  17.079  -9.532 -18.326
   63   HD12  LEU   9          HD12      LEU   9  16.569  -7.877 -17.921
   64   HD13  LEU   9          HD13      LEU   9  17.045  -8.995 -16.639
   65   HD21  LEU   9          HD21      LEU   9  13.366  -9.407 -18.741
   66   HD22  LEU   9          HD22      LEU   9  14.497  -8.083 -19.063
   67   HD23  LEU   9          HD23      LEU   9  14.894  -9.735 -19.585
   68    H    LEU  10           H        LEU  10  16.310 -11.578 -13.283
   69    HA   LEU  10           HA       LEU  10  19.085 -10.970 -13.831
   70    HB2  LEU  10           HB2      LEU  10  17.643 -12.308 -11.522
   71    HB3  LEU  10           HB3      LEU  10  19.387 -12.278 -11.583
   72    HG   LEU  10           HG       LEU  10  17.947  -9.671 -11.947
   73   HD11  LEU  10          HD11      LEU  10  18.383 -11.028  -9.250
   74   HD12  LEU  10          HD12      LEU  10  17.908  -9.330  -9.482
   75   HD13  LEU  10          HD13      LEU  10  16.815 -10.628  -9.986
   76   HD21  LEU  10          HD21      LEU  10  20.435  -9.812 -12.098
   77   HD22  LEU  10          HD22      LEU  10  19.899  -8.781 -10.756
   78   HD23  LEU  10          HD23      LEU  10  20.476 -10.423 -10.418
   79    H    THR  11           H        THR  11  20.202 -12.136 -15.268
   80    HA   THR  11           HA       THR  11  20.162 -15.111 -15.028
   81    HB   THR  11           HB       THR  11  20.912 -13.365 -17.378
   82    HG1  THR  11           HG1      THR  11  19.099 -14.342 -18.268
   83   HG21  THR  11          HG21      THR  11  21.078 -16.389 -17.004
   84   HG22  THR  11          HG22      THR  11  21.071 -15.589 -18.588
   85   HG23  THR  11          HG23      THR  11  22.390 -15.269 -17.461
   86    H    ASP  12           H        ASP  12  21.915 -16.225 -14.618
   87    HA   ASP  12           HA       ASP  12  24.351 -15.027 -13.634
   88    HB2  ASP  12           HB2      ASP  12  25.018 -17.323 -13.235
   89    HB3  ASP  12           HB3      ASP  12  23.408 -17.020 -12.615
   90    H    HIS  13           H        HIS  13  24.419 -13.830 -15.870
   91    HA   HIS  13           HA       HIS  13  25.919 -15.305 -17.957
   92    HB2  HIS  13           HB2      HIS  13  24.960 -12.444 -17.698
   93    HB3  HIS  13           HB3      HIS  13  26.078 -12.946 -18.962
   94    HD2  HIS  13           HD2      HIS  13  24.840 -15.559 -20.068
   95    HE1  HIS  13           HE1      HIS  13  21.302 -13.269 -20.720
   96    HE2  HIS  13           HE2      HIS  13  22.563 -15.382 -21.380
   97    H    THR  14           H        THR  14  27.101 -15.694 -15.597
   98    HA   THR  14           HA       THR  14  29.540 -14.053 -15.678
   99    HB   THR  14           HB       THR  14  29.635 -14.058 -13.212
  100    HG1  THR  14           HG1      THR  14  27.745 -14.575 -12.081
  101   HG21  THR  14          HG21      THR  14  26.994 -12.851 -14.110
  102   HG22  THR  14          HG22      THR  14  28.016 -12.350 -12.751
  103   HG23  THR  14          HG23      THR  14  28.580 -12.105 -14.410
  104    H    VAL  15           H        VAL  15  31.494 -15.116 -15.502
  105    HA   VAL  15           HA       VAL  15  31.456 -18.051 -14.959
  106    HB   VAL  15           HB       VAL  15  32.821 -18.457 -16.951
  107   HG11  VAL  15          HG11      VAL  15  30.175 -17.131 -17.615
  108   HG12  VAL  15          HG12      VAL  15  31.016 -18.394 -18.538
  109   HG13  VAL  15          HG13      VAL  15  30.367 -18.757 -16.928
  110   HG21  VAL  15          HG21      VAL  15  33.767 -16.204 -17.379
  111   HG22  VAL  15          HG22      VAL  15  32.928 -16.851 -18.793
  112   HG23  VAL  15          HG23      VAL  15  32.150 -15.602 -17.799
  113    H    SER  16           H        SER  16  32.316 -16.154 -13.168
  114    HA   SER  16           HA       SER  16  35.285 -16.635 -12.982
  115    HB2  SER  16           HB2      SER  16  35.214 -14.364 -13.441
  116    HB3  SER  16           HB3      SER  16  33.657 -14.141 -12.631
  117    HG   SER  16           HG       SER  16  36.215 -14.121 -11.549
  118    H    SER  17           H        SER  17  36.151 -16.950 -10.833
  119    HA   SER  17           HA       SER  17  34.536 -18.468  -9.045
  120    HB2  SER  17           HB2      SER  17  36.457 -18.220  -7.487
  121    HB3  SER  17           HB3      SER  17  36.933 -18.724  -9.119
  122    HG   SER  17           HG       SER  17  38.289 -17.041  -8.334
  123    H    ILE  18           H        ILE  18  35.360 -15.022  -9.026
  124    HA   ILE  18           HA       ILE  18  33.612 -14.496  -6.670
  125    HB   ILE  18           HB       ILE  18  34.347 -12.032  -7.345
  126   HG12  ILE  18          HG12      ILE  18  36.788 -13.610  -8.265
  127   HG13  ILE  18          HG13      ILE  18  35.576 -12.922  -9.360
  128   HG21  ILE  18          HG21      ILE  18  36.154 -13.973  -5.852
  129   HG22  ILE  18          HG22      ILE  18  36.110 -12.201  -5.662
  130   HG23  ILE  18          HG23      ILE  18  34.719 -13.162  -5.182
  131   HD11  ILE  18          HD11      ILE  18  37.068 -11.165  -7.450
  132   HD12  ILE  18          HD12      ILE  18  37.672 -11.604  -9.069
  133   HD13  ILE  18          HD13      ILE  18  36.145 -10.758  -8.922
  134    H    GLY  19           H        GLY  19  33.659 -13.795 -10.216
  135    HA2  GLY  19           HA2      GLY  19  31.321 -12.118 -10.104
  136    HA3  GLY  19           HA3      GLY  19  31.964 -12.911 -11.539
  137    H    HIS  20           H        HIS  20  31.613 -15.656 -10.344
  138    HA   HIS  20           HA       HIS  20  28.838 -16.217 -10.938
  139    HB2  HIS  20           HB2      HIS  20  30.652 -17.827 -11.300
  140    HB3  HIS  20           HB3      HIS  20  30.982 -17.872  -9.565
  141    HD2  HIS  20           HD2      HIS  20  29.650 -19.579  -8.133
  142    HE1  HIS  20           HE1      HIS  20  26.947 -20.978 -11.125
  143    HE2  HIS  20           HE2      HIS  20  27.837 -21.383  -8.767
  144    H    ASP  21           H        ASP  21  30.679 -15.641  -7.910
  145    HA   ASP  21           HA       ASP  21  28.424 -16.302  -6.171
  146    HB2  ASP  21           HB2      ASP  21  31.149 -15.039  -5.716
  147    HB3  ASP  21           HB3      ASP  21  29.925 -15.149  -4.460
  148    H    PHE  22           H        PHE  22  29.798 -13.268  -7.573
  149    HA   PHE  22           HA       PHE  22  28.193 -11.413  -6.172
  150    HB2  PHE  22           HB2      PHE  22  30.008 -10.843  -7.792
  151    HB3  PHE  22           HB3      PHE  22  28.973 -11.316  -9.117
  152    HD1  PHE  22           HD1      PHE  22  29.671  -8.656  -6.646
  153    HD2  PHE  22           HD2      PHE  22  26.891 -10.035  -9.620
  154    HE1  PHE  22           HE1      PHE  22  28.711  -6.373  -6.813
  155    HE2  PHE  22           HE2      PHE  22  25.870  -7.774  -9.728
  156    HZ   PHE  22           HZ       PHE  22  26.807  -5.938  -8.356
  157    H    TYR  23           H        TYR  23  27.308 -13.314  -9.083
  158    HA   TYR  23           HA       TYR  23  24.753 -12.244  -9.556
  159    HB2  TYR  23           HB2      TYR  23  25.729 -13.889 -11.053
  160    HB3  TYR  23           HB3      TYR  23  25.716 -15.117  -9.779
  161    HD1  TYR  23           HD1      TYR  23  23.428 -12.960 -11.814
  162    HD2  TYR  23           HD2      TYR  23  23.893 -16.548  -9.485
  163    HE1  TYR  23           HE1      TYR  23  21.071 -13.575 -12.297
  164    HE2  TYR  23           HE2      TYR  23  21.544 -17.200 -10.010
  165    HH   TYR  23           HH       TYR  23  19.400 -15.193 -12.058
  166    H    ARG  24           H        ARG  24  25.538 -14.955  -7.354
  167    HA   ARG  24           HA       ARG  24  22.805 -15.254  -6.412
  168    HB2  ARG  24           HB2      ARG  24  25.404 -16.338  -5.212
  169    HB3  ARG  24           HB3      ARG  24  23.754 -16.860  -4.832
  170    HG2  ARG  24           HG2      ARG  24  23.513 -17.376  -7.350
  171    HG3  ARG  24           HG3      ARG  24  25.266 -17.206  -7.455
  172    HD2  ARG  24           HD2      ARG  24  25.617 -19.005  -5.869
  173    HD3  ARG  24           HD3      ARG  24  23.893 -19.134  -5.533
  174    HE   ARG  24           HE       ARG  24  25.343 -20.091  -7.921
  175   HH11  ARG  24          HH11      ARG  24  22.144 -19.574  -6.559
  176   HH12  ARG  24          HH12      ARG  24  21.389 -20.656  -7.694
  177   HH21  ARG  24          HH21      ARG  24  24.299 -21.475  -9.329
  178   HH22  ARG  24          HH22      ARG  24  22.581 -21.695  -9.216
  179    H    ALA  25           H        ALA  25  25.709 -13.771  -4.977
  180    HA   ALA  25           HA       ALA  25  24.456 -12.996  -2.515
  181    HB1  ALA  25           HB1      ALA  25  26.780 -11.678  -3.994
  182    HB2  ALA  25           HB2      ALA  25  26.422 -11.567  -2.254
  183    HB3  ALA  25           HB3      ALA  25  26.933 -13.116  -2.950
  184    H    PHE  26           H        PHE  26  24.764 -11.200  -5.639
  185    HA   PHE  26           HA       PHE  26  23.473  -8.833  -4.698
  186    HB2  PHE  26           HB2      PHE  26  24.817  -8.919  -6.735
  187    HB3  PHE  26           HB3      PHE  26  23.723 -10.058  -7.481
  188    HD1  PHE  26           HD1      PHE  26  21.235  -9.241  -7.878
  189    HD2  PHE  26           HD2      PHE  26  24.561  -6.598  -7.129
  190    HE1  PHE  26           HE1      PHE  26  19.957  -7.367  -8.838
  191    HE2  PHE  26           HE2      PHE  26  23.293  -4.730  -8.182
  192    HZ   PHE  26           HZ       PHE  26  20.979  -5.122  -9.027
  193    H    SER  27           H        SER  27  22.115 -11.718  -6.420
  194    HA   SER  27           HA       SER  27  19.452 -10.685  -6.439
  195    HB2  SER  27           HB2      SER  27  18.735 -12.828  -7.184
  196    HB3  SER  27           HB3      SER  27  20.264 -12.427  -7.986
  197    HG   SER  27           HG       SER  27  20.176 -14.614  -7.191
  198    H    ASP  28           H        ASP  28  21.154 -12.606  -3.989
  199    HA   ASP  28           HA       ASP  28  18.946 -13.286  -2.339
  200    HB2  ASP  28           HB2      ASP  28  21.913 -12.865  -1.901
  201    HB3  ASP  28           HB3      ASP  28  20.868 -13.089  -0.516
  202    H    LYS  29           H        LYS  29  20.742 -10.206  -2.527
  203    HA   LYS  29           HA       LYS  29  18.809  -9.080  -0.531
  204    HB2  LYS  29           HB2      LYS  29  20.710  -7.193  -0.471
  205    HB3  LYS  29           HB3      LYS  29  20.538  -8.491   0.660
  206    HG2  LYS  29           HG2      LYS  29  22.336  -8.744  -1.773
  207    HG3  LYS  29           HG3      LYS  29  22.866  -7.896  -0.331
  208    HD2  LYS  29           HD2      LYS  29  22.070 -10.832  -0.395
  209    HD3  LYS  29           HD3      LYS  29  23.708 -10.189  -0.375
  210    HE2  LYS  29           HE2      LYS  29  23.258  -9.088   1.823
  211    HE3  LYS  29           HE3      LYS  29  21.634  -9.783   1.833
  212    HZ1  LYS  29           HZ1      LYS  29  24.158 -11.377   1.842
  213    HZ2  LYS  29           HZ2      LYS  29  23.179 -11.142   3.125
  214    HZ3  LYS  29           HZ3      LYS  29  22.646 -12.013   1.857
  215    H    TRP  30           H        TRP  30  19.114  -9.118  -3.762
  216    HA   TRP  30           HA       TRP  30  18.615  -6.437  -4.505
  217    HB2  TRP  30           HB2      TRP  30  19.219  -8.162  -6.105
  218    HB3  TRP  30           HB3      TRP  30  17.700  -9.015  -5.811
  219    HD1  TRP  30           HD1      TRP  30  15.977  -8.569  -7.613
  220    HE1  TRP  30           HE1      TRP  30  15.348  -6.646  -9.190
  221    HE3  TRP  30           HE3      TRP  30  19.540  -5.167  -6.208
  222    HZ2  TRP  30           HZ2      TRP  30  16.219  -3.960  -9.713
  223    HZ3  TRP  30           HZ3      TRP  30  19.569  -2.907  -7.200
  224    HH2  TRP  30           HH2      TRP  30  17.942  -2.274  -8.959
  225    H    GLU  31           H        GLU  31  16.959  -5.113  -4.508
  226    HA   GLU  31           HA       GLU  31  14.179  -5.929  -4.453
  227    HB2  GLU  31           HB2      GLU  31  14.777  -5.979  -2.018
  228    HB3  GLU  31           HB3      GLU  31  15.304  -4.296  -2.123
  229    HG2  GLU  31           HG2      GLU  31  13.007  -3.602  -2.714
  230    HG3  GLU  31           HG3      GLU  31  12.485  -5.288  -2.738
  231    H    SER  32           H        SER  32  12.917  -4.299  -5.443
  232    HA   SER  32           HA       SER  32  14.068  -1.619  -5.886
  233    HB2  SER  32           HB2      SER  32  13.950  -1.791  -8.316
  234    HB3  SER  32           HB3      SER  32  15.160  -2.851  -7.609
  235    HG   SER  32           HG       SER  32  13.670  -4.602  -7.876
  236    H    ASP  33           H        ASP  33  12.666  -0.058  -6.689
  237    HA   ASP  33           HA       ASP  33   9.804  -0.554  -6.238
  238    HB2  ASP  33           HB2      ASP  33  11.014   1.437  -5.375
  239    HB3  ASP  33           HB3      ASP  33  11.292   1.971  -7.035
  240    H    TYR  34           H        TYR  34  11.897  -0.162  -9.028
  241    HA   TYR  34           HA       TYR  34   9.700   0.251 -10.932
  242    HB2  TYR  34           HB2      TYR  34  11.295   0.667 -12.528
  243    HB3  TYR  34           HB3      TYR  34  12.016   1.338 -11.087
  244    HD1  TYR  34           HD1      TYR  34  13.756  -0.183  -9.826
  245    HD2  TYR  34           HD2      TYR  34  12.563  -0.761 -13.935
  246    HE1  TYR  34           HE1      TYR  34  15.689  -1.687 -10.174
  247    HE2  TYR  34           HE2      TYR  34  14.509  -2.234 -14.289
  248    HH   TYR  34           HH       TYR  34  16.875  -2.965 -11.704
  249    H    THR  35           H        THR  35  10.372  -1.269 -13.095
  250    HA   THR  35           HA       THR  35   9.075  -3.741 -12.507
  251    HB   THR  35           HB       THR  35  10.451  -3.237 -15.128
  252    HG1  THR  35           HG1      THR  35   8.790  -1.799 -15.696
  253   HG21  THR  35          HG21      THR  35   7.619  -4.131 -14.374
  254   HG22  THR  35          HG22      THR  35   8.261  -4.014 -16.028
  255   HG23  THR  35          HG23      THR  35   8.930  -5.203 -14.912
  256    H    GLY  36           H        GLY  36  12.371  -3.107 -12.057
  257    HA2  GLY  36           HA2      GLY  36  14.094  -4.499 -11.509
  258    HA3  GLY  36           HA3      GLY  36  12.861  -5.751 -11.269
  259    H    ASN  37           H        ASN  37  13.399  -4.403 -14.450
  260    HA   ASN  37           HA       ASN  37  14.143  -7.070 -15.418
  261    HB2  ASN  37           HB2      ASN  37  13.653  -4.513 -16.969
  262    HB3  ASN  37           HB3      ASN  37  13.862  -6.129 -17.648
  263   HD21  ASN  37          HD21      ASN  37  10.583  -7.219 -16.455
  264   HD22  ASN  37          HD22      ASN  37  12.233  -7.818 -16.363
  265    H    LEU  38           H        LEU  38  16.155  -6.919 -14.140
  266    HA   LEU  38           HA       LEU  38  18.379  -5.801 -15.787
  267    HB2  LEU  38           HB2      LEU  38  19.603  -5.173 -13.973
  268    HB3  LEU  38           HB3      LEU  38  17.983  -4.622 -13.586
  269    HG   LEU  38           HG       LEU  38  19.402  -7.074 -12.424
  270   HD11  LEU  38          HD11      LEU  38  18.701  -4.348 -11.304
  271   HD12  LEU  38          HD12      LEU  38  19.195  -5.717 -10.302
  272   HD13  LEU  38          HD13      LEU  38  20.319  -5.078 -11.497
  273   HD21  LEU  38          HD21      LEU  38  16.972  -7.509 -12.426
  274   HD22  LEU  38          HD22      LEU  38  17.557  -7.182 -10.800
  275   HD23  LEU  38          HD23      LEU  38  16.685  -5.910 -11.685
  276    H    THR  39           H        THR  39  20.358  -6.856 -15.919
  277    HA   THR  39           HA       THR  39  20.558  -9.604 -14.810
  278    HB   THR  39           HB       THR  39  19.688  -9.744 -17.147
  279    HG1  THR  39           HG1      THR  39  21.479 -11.298 -17.617
  280   HG21  THR  39          HG21      THR  39  22.500  -8.891 -17.936
  281   HG22  THR  39          HG22      THR  39  21.219  -9.500 -19.005
  282   HG23  THR  39          HG23      THR  39  21.017  -7.939 -18.196
  283    H    ILE  40           H        ILE  40  22.786 -10.478 -14.998
  284    HA   ILE  40           HA       ILE  40  24.763  -8.319 -14.296
  285    HB   ILE  40           HB       ILE  40  24.284 -11.015 -12.994
  286   HG12  ILE  40          HG12      ILE  40  24.093  -8.246 -11.713
  287   HG13  ILE  40          HG13      ILE  40  22.696  -9.061 -12.402
  288   HG21  ILE  40          HG21      ILE  40  26.353  -8.940 -12.120
  289   HG22  ILE  40          HG22      ILE  40  26.122 -10.608 -11.527
  290   HG23  ILE  40          HG23      ILE  40  26.761 -10.342 -13.123
  291   HD11  ILE  40          HD11      ILE  40  24.376 -10.130 -10.117
  292   HD12  ILE  40          HD12      ILE  40  22.735  -9.467 -10.040
  293   HD13  ILE  40          HD13      ILE  40  23.015 -10.984 -10.900
  294    H    ASN  41           H        ASN  41  26.555  -8.366 -15.441
  295    HA   ASN  41           HA       ASN  41  27.311 -10.811 -16.977
  296    HB2  ASN  41           HB2      ASN  41  27.799  -7.934 -17.825
  297    HB3  ASN  41           HB3      ASN  41  27.928  -9.389 -18.798
  298   HD21  ASN  41          HD21      ASN  41  24.296  -7.507 -18.312
  299   HD22  ASN  41          HD22      ASN  41  25.667  -7.110 -17.281
  300    H    GLU  42           H        GLU  42  29.571 -11.379 -16.838
  301    HA   GLU  42           HA       GLU  42  31.315  -9.303 -15.659
  302    HB2  GLU  42           HB2      GLU  42  32.376 -10.709 -14.115
  303    HB3  GLU  42           HB3      GLU  42  30.668 -11.031 -13.936
  304    HG2  GLU  42           HG2      GLU  42  31.458 -13.169 -13.928
  305    HG3  GLU  42           HG3      GLU  42  31.170 -12.951 -15.662
  306    H    ARG  43           H        ARG  43  33.513  -9.360 -16.132
  307    HA   ARG  43           HA       ARG  43  34.294 -11.012 -18.497
  308    HB2  ARG  43           HB2      ARG  43  33.917  -8.695 -19.185
  309    HB3  ARG  43           HB3      ARG  43  35.049  -8.128 -17.979
  310    HG2  ARG  43           HG2      ARG  43  36.919  -9.268 -19.083
  311    HG3  ARG  43           HG3      ARG  43  35.808 -10.038 -20.226
  312    HD2  ARG  43           HD2      ARG  43  36.938  -8.133 -21.272
  313    HD3  ARG  43           HD3      ARG  43  35.190  -7.872 -21.163
  314    HE   ARG  43           HE       ARG  43  36.813  -6.744 -18.962
  315   HH11  ARG  43          HH11      ARG  43  35.468  -6.006 -22.106
  316   HH12  ARG  43          HH12      ARG  43  35.417  -4.293 -21.798
  317   HH21  ARG  43          HH21      ARG  43  36.643  -4.522 -18.589
  318   HH22  ARG  43          HH22      ARG  43  36.105  -3.488 -19.874
  319    HA   PRO  44           HA       PRO  44  37.150 -12.169 -15.268
  320    HB2  PRO  44           HB2      PRO  44  38.045 -14.515 -16.315
  321    HB3  PRO  44           HB3      PRO  44  36.388 -14.318 -15.681
  322    HG2  PRO  44           HG2      PRO  44  37.331 -14.157 -18.560
  323    HG3  PRO  44           HG3      PRO  44  35.934 -15.075 -17.902
  324    HD2  PRO  44           HD2      PRO  44  35.662 -12.608 -19.037
  325    HD3  PRO  44           HD3      PRO  44  34.632 -13.148 -17.679
  326    H    SER  45           H        SER  45  39.113 -11.354 -14.923
  327    HA   SER  45           HA       SER  45  41.073 -11.010 -17.150
  328    HB2  SER  45           HB2      SER  45  39.986  -8.824 -15.324
  329    HB3  SER  45           HB3      SER  45  41.383  -8.652 -16.404
  330    HG   SER  45           HG       SER  45  39.547  -7.876 -17.457
  331    H    ALA  46           H        ALA  46  42.439 -12.529 -16.245
  332    HA   ALA  46           HA       ALA  46  42.872 -12.922 -13.524
  333    HB1  ALA  46           HB1      ALA  46  44.673 -13.653 -15.879
  334    HB2  ALA  46           HB2      ALA  46  44.691 -14.422 -14.277
  335    HB3  ALA  46           HB3      ALA  46  43.263 -14.583 -15.313
  336    H    ARG  47           H        ARG  47  44.254 -10.387 -15.331
  337    HA   ARG  47           HA       ARG  47  46.564  -9.689 -13.823
  338    HB2  ARG  47           HB2      ARG  47  46.120  -7.406 -14.540
  339    HB3  ARG  47           HB3      ARG  47  45.829  -8.527 -15.866
  340    HG2  ARG  47           HG2      ARG  47  43.356  -8.426 -15.326
  341    HG3  ARG  47           HG3      ARG  47  43.694  -7.168 -14.139
  342    HD2  ARG  47           HD2      ARG  47  44.379  -6.965 -17.101
  343    HD3  ARG  47           HD3      ARG  47  42.891  -6.346 -16.363
  344    HE   ARG  47           HE       ARG  47  45.110  -5.268 -14.932
  345   HH11  ARG  47          HH11      ARG  47  43.598  -4.890 -18.075
  346   HH12  ARG  47          HH12      ARG  47  44.110  -3.233 -18.224
  347   HH21  ARG  47          HH21      ARG  47  45.744  -3.149 -15.196
  348   HH22  ARG  47          HH22      ARG  47  45.298  -2.281 -16.633
  349    H    ALA  48           H        ALA  48  43.174  -9.549 -12.850
  350    HA   ALA  48           HA       ALA  48  43.957  -8.787 -10.109
  351    HB1  ALA  48           HB1      ALA  48  42.275  -6.991 -11.908
  352    HB2  ALA  48           HB2      ALA  48  42.430  -6.793 -10.152
  353    HB3  ALA  48           HB3      ALA  48  43.851  -6.615 -11.189
  354    H    GLY  49           H        GLY  49  41.357 -10.014 -12.260
  355    HA2  GLY  49           HA2      GLY  49  40.030 -11.688 -10.631
  356    HA3  GLY  49           HA3      GLY  49  39.431 -10.154 -10.009
  357    H    SER  50           H        SER  50  37.590  -9.390 -10.926
  358    HA   SER  50           HA       SER  50  36.999  -9.988 -13.777
  359    HB2  SER  50           HB2      SER  50  34.613 -10.406 -13.162
  360    HB3  SER  50           HB3      SER  50  35.737 -11.702 -12.723
  361    HG   SER  50           HG       SER  50  34.401 -11.349 -10.995
  362    H    TRP  51           H        TRP  51  35.784  -8.514 -14.881
  363    HA   TRP  51           HA       TRP  51  35.002  -5.972 -13.516
  364    HB2  TRP  51           HB2      TRP  51  35.382  -6.866 -16.328
  365    HB3  TRP  51           HB3      TRP  51  33.994  -5.833 -16.046
  366    HD1  TRP  51           HD1      TRP  51  37.707  -5.737 -16.418
  367    HE1  TRP  51           HE1      TRP  51  38.555  -3.323 -16.242
  368    HE3  TRP  51           HE3      TRP  51  33.450  -3.533 -14.623
  369    HZ2  TRP  51           HZ2      TRP  51  37.476  -0.727 -15.518
  370    HZ3  TRP  51           HZ3      TRP  51  33.416  -1.090 -14.133
  371    HH2  TRP  51           HH2      TRP  51  35.388   0.315 -14.611
  372    H    ILE  52           H        ILE  52  32.944  -5.729 -12.799
  373    HA   ILE  52           HA       ILE  52  30.827  -7.671 -13.673
  374    HB   ILE  52           HB       ILE  52  30.911  -5.934 -11.174
  375   HG12  ILE  52          HG12      ILE  52  32.558  -7.676 -10.887
  376   HG13  ILE  52          HG13      ILE  52  31.148  -8.005  -9.893
  377   HG21  ILE  52          HG21      ILE  52  28.906  -8.037 -12.126
  378   HG22  ILE  52          HG22      ILE  52  28.959  -7.348 -10.489
  379   HG23  ILE  52          HG23      ILE  52  28.615  -6.300 -11.861
  380   HD11  ILE  52          HD11      ILE  52  31.694  -9.330 -12.573
  381   HD12  ILE  52          HD12      ILE  52  32.099 -10.036 -11.019
  382   HD13  ILE  52          HD13      ILE  52  30.394  -9.758 -11.442
  383    H    THR  53           H        THR  53  29.202  -6.909 -14.820
  384    HA   THR  53           HA       THR  53  28.677  -3.963 -14.974
  385    HB   THR  53           HB       THR  53  28.939  -5.862 -17.340
  386    HG1  THR  53           HG1      THR  53  30.782  -4.652 -17.795
  387   HG21  THR  53          HG21      THR  53  28.517  -2.842 -17.248
  388   HG22  THR  53          HG22      THR  53  28.741  -3.818 -18.709
  389   HG23  THR  53          HG23      THR  53  27.279  -4.025 -17.732
  390    H    ILE  54           H        ILE  54  26.618  -3.620 -14.425
  391    HA   ILE  54           HA       ILE  54  24.613  -5.787 -14.870
  392    HB   ILE  54           HB       ILE  54  24.753  -5.378 -12.617
  393   HG12  ILE  54          HG12      ILE  54  22.432  -5.588 -13.466
  394   HG13  ILE  54          HG13      ILE  54  22.624  -4.804 -11.910
  395   HG21  ILE  54          HG21      ILE  54  24.631  -2.410 -13.179
  396   HG22  ILE  54          HG22      ILE  54  24.383  -3.120 -11.564
  397   HG23  ILE  54          HG23      ILE  54  25.927  -3.343 -12.395
  398   HD11  ILE  54          HD11      ILE  54  21.869  -3.440 -14.524
  399   HD12  ILE  54          HD12      ILE  54  20.922  -3.602 -13.065
  400   HD13  ILE  54          HD13      ILE  54  22.340  -2.563 -13.052
  401    H    THR  55           H        THR  55  23.071  -5.594 -16.256
  402    HA   THR  55           HA       THR  55  22.668  -2.978 -17.628
  403    HB   THR  55           HB       THR  55  22.101  -4.381 -19.659
  404    HG1  THR  55           HG1      THR  55  22.608  -6.485 -19.657
  405   HG21  THR  55          HG21      THR  55  24.947  -4.580 -18.555
  406   HG22  THR  55          HG22      THR  55  24.480  -4.947 -20.227
  407   HG23  THR  55          HG23      THR  55  24.290  -3.308 -19.608
  408    H    VAL  56           H        VAL  56  20.626  -2.294 -18.011
  409    HA   VAL  56           HA       VAL  56  18.346  -3.930 -16.959
  410    HB   VAL  56           HB       VAL  56  18.751  -0.944 -17.144
  411   HG11  VAL  56          HG11      VAL  56  16.076  -2.403 -16.865
  412   HG12  VAL  56          HG12      VAL  56  16.349  -0.693 -16.460
  413   HG13  VAL  56          HG13      VAL  56  16.533  -1.231 -18.130
  414   HG21  VAL  56          HG21      VAL  56  19.335  -2.343 -15.092
  415   HG22  VAL  56          HG22      VAL  56  18.108  -1.092 -14.799
  416   HG23  VAL  56          HG23      VAL  56  17.621  -2.783 -14.978
  417    H    ASN  57           H        ASN  57  17.262  -4.926 -18.369
  418    HA   ASN  57           HA       ASN  57  16.611  -5.897 -20.291
  419    HB2  ASN  57           HB2      ASN  57  16.264  -3.056 -21.320
  420    HB3  ASN  57           HB3      ASN  57  15.641  -4.510 -22.081
  421   HD21  ASN  57          HD21      ASN  57  13.503  -2.847 -19.139
  422   HD22  ASN  57          HD22      ASN  57  14.935  -2.086 -19.817
  423    H    GLN  58           H        GLN  58  18.394  -3.196 -21.750
  424    HA   GLN  58           HA       GLN  58  20.502  -4.993 -22.796
  425    HB2  GLN  58           HB2      GLN  58  20.198  -4.158 -25.098
  426    HB3  GLN  58           HB3      GLN  58  18.814  -5.077 -24.519
  427    HG2  GLN  58           HG2      GLN  58  17.508  -3.048 -24.169
  428    HG3  GLN  58           HG3      GLN  58  18.905  -2.028 -24.506
  429   HE21  GLN  58          HE21      GLN  58  16.929  -3.826 -27.657
  430   HE22  GLN  58          HE22      GLN  58  16.718  -4.473 -26.036
  431    H    ASP  59           H        ASP  59  19.963  -2.360 -21.022
  432    HA   ASP  59           HA       ASP  59  22.095  -0.634 -22.246
  433    HB2  ASP  59           HB2      ASP  59  19.637   0.031 -20.585
  434    HB3  ASP  59           HB3      ASP  59  20.931   1.174 -20.907
  435    H    VAL  60           H        VAL  60  23.921  -0.251 -21.064
  436    HA   VAL  60           HA       VAL  60  24.164  -1.435 -18.395
  437    HB   VAL  60           HB       VAL  60  26.061  -1.539 -19.886
  438   HG11  VAL  60          HG11      VAL  60  26.305   1.490 -19.665
  439   HG12  VAL  60          HG12      VAL  60  27.456   0.386 -20.436
  440   HG13  VAL  60          HG13      VAL  60  25.844   0.592 -21.129
  441   HG21  VAL  60          HG21      VAL  60  26.425  -1.505 -17.421
  442   HG22  VAL  60          HG22      VAL  60  27.800  -0.875 -18.351
  443   HG23  VAL  60          HG23      VAL  60  26.728   0.250 -17.513
  444    H    ILE  61           H        ILE  61  24.146  -0.526 -16.460
  445    HA   ILE  61           HA       ILE  61  23.798   2.448 -16.257
  446    HB   ILE  61           HB       ILE  61  22.294   1.931 -14.289
  447   HG12  ILE  61          HG12      ILE  61  21.667  -0.677 -15.682
  448   HG13  ILE  61          HG13      ILE  61  22.786  -0.590 -14.312
  449   HG21  ILE  61          HG21      ILE  61  21.210   1.301 -17.057
  450   HG22  ILE  61          HG22      ILE  61  20.307   1.991 -15.684
  451   HG23  ILE  61          HG23      ILE  61  21.586   2.932 -16.451
  452   HD11  ILE  61          HD11      ILE  61  19.902   0.391 -14.222
  453   HD12  ILE  61          HD12      ILE  61  20.484  -1.146 -13.599
  454   HD13  ILE  61          HD13      ILE  61  21.069   0.365 -12.883
  455    H    PHE  62           H        PHE  62  25.251  -0.449 -14.840
  456    HA   PHE  62           HA       PHE  62  27.037   1.324 -13.377
  457    HB2  PHE  62           HB2      PHE  62  25.378   1.163 -11.687
  458    HB3  PHE  62           HB3      PHE  62  25.141  -0.551 -11.927
  459    HD1  PHE  62           HD1      PHE  62  26.411  -2.102 -10.522
  460    HD2  PHE  62           HD2      PHE  62  27.695   2.001 -10.889
  461    HE1  PHE  62           HE1      PHE  62  28.258  -2.529  -8.900
  462    HE2  PHE  62           HE2      PHE  62  29.499   1.574  -9.243
  463    HZ   PHE  62           HZ       PHE  62  29.774  -0.687  -8.252
  464    H    GLN  63           H        GLN  63  28.985   0.410 -12.878
  465    HA   GLN  63           HA       GLN  63  29.467  -2.403 -13.204
  466    HB2  GLN  63           HB2      GLN  63  31.125  -2.251 -15.029
  467    HB3  GLN  63           HB3      GLN  63  29.489  -1.863 -15.546
  468    HG2  GLN  63           HG2      GLN  63  30.052   0.579 -15.450
  469    HG3  GLN  63           HG3      GLN  63  31.722   0.147 -15.067
  470   HE21  GLN  63          HE21      GLN  63  32.253  -1.266 -18.431
  471   HE22  GLN  63          HE22      GLN  63  32.574  -1.710 -16.764
  472    H    THR  64           H        THR  64  31.427  -3.108 -12.355
  473    HA   THR  64           HA       THR  64  33.385  -1.211 -11.258
  474    HB   THR  64           HB       THR  64  31.523  -1.111  -9.643
  475    HG1  THR  64           HG1      THR  64  32.859  -1.354  -7.880
  476   HG21  THR  64          HG21      THR  64  32.156  -4.028  -8.993
  477   HG22  THR  64          HG22      THR  64  30.967  -2.974  -8.197
  478   HG23  THR  64          HG23      THR  64  30.701  -3.493  -9.865
  479    H    PHE  65           H        PHE  65  35.086  -2.405  -9.965
  480    HA   PHE  65           HA       PHE  65  35.695  -4.983 -11.327
  481    HB2  PHE  65           HB2      PHE  65  37.232  -2.791 -11.237
  482    HB3  PHE  65           HB3      PHE  65  37.750  -3.516  -9.725
  483    HD1  PHE  65           HD1      PHE  65  38.108  -3.488 -13.287
  484    HD2  PHE  65           HD2      PHE  65  38.522  -6.032  -9.837
  485    HE1  PHE  65           HE1      PHE  65  39.512  -5.057 -14.608
  486    HE2  PHE  65           HE2      PHE  65  39.840  -7.632 -11.174
  487    HZ   PHE  65           HZ       PHE  65  40.338  -7.144 -13.586
  488    H    LEU  66           H        LEU  66  35.774  -6.857 -10.228
  489    HA   LEU  66           HA       LEU  66  35.659  -6.856  -7.246
  490    HB2  LEU  66           HB2      LEU  66  34.650  -8.766  -9.342
  491    HB3  LEU  66           HB3      LEU  66  35.085  -9.356  -7.748
  492    HG   LEU  66           HG       LEU  66  32.917  -7.322  -8.299
  493   HD11  LEU  66          HD11      LEU  66  32.805 -10.181  -7.206
  494   HD12  LEU  66          HD12      LEU  66  31.465  -9.145  -7.734
  495   HD13  LEU  66          HD13      LEU  66  32.600  -9.800  -8.913
  496   HD21  LEU  66          HD21      LEU  66  33.846  -6.870  -6.066
  497   HD22  LEU  66          HD22      LEU  66  32.327  -7.763  -5.883
  498   HD23  LEU  66          HD23      LEU  66  33.880  -8.602  -5.691
  499    H    PHE  67           H        PHE  67  37.086  -7.970  -6.083
  500    HA   PHE  67           HA       PHE  67  39.455  -9.180  -7.466
  501    HB2  PHE  67           HB2      PHE  67  39.441  -7.565  -4.909
  502    HB3  PHE  67           HB3      PHE  67  40.851  -8.213  -5.735
  503    HD1  PHE  67           HD1      PHE  67  41.782  -7.062  -7.704
  504    HD2  PHE  67           HD2      PHE  67  38.219  -5.603  -5.762
  505    HE1  PHE  67           HE1      PHE  67  41.996  -4.894  -8.913
  506    HE2  PHE  67           HE2      PHE  67  38.418  -3.464  -6.998
  507    HZ   PHE  67           HZ       PHE  67  40.311  -3.106  -8.575
  508    HA   PRO  68           HA       PRO  68  38.267 -12.661  -4.936
  509    HB2  PRO  68           HB2      PRO  68  40.179 -14.458  -5.640
  510    HB3  PRO  68           HB3      PRO  68  38.951 -13.863  -6.799
  511    HG2  PRO  68           HG2      PRO  68  41.785 -12.812  -6.413
  512    HG3  PRO  68           HG3      PRO  68  40.997 -13.317  -7.950
  513    HD2  PRO  68           HD2      PRO  68  41.103 -10.739  -7.164
  514    HD3  PRO  68           HD3      PRO  68  39.659 -11.410  -7.993
  515    H    LEU  69           H        LEU  69  41.588 -11.385  -4.652
  516    HA   LEU  69           HA       LEU  69  42.181 -12.822  -2.181
  517    HB2  LEU  69           HB2      LEU  69  43.824 -12.395  -3.907
  518    HB3  LEU  69           HB3      LEU  69  43.653 -10.653  -3.745
  519    HG   LEU  69           HG       LEU  69  44.471 -12.253  -1.307
  520   HD11  LEU  69          HD11      LEU  69  46.343 -11.486  -3.586
  521   HD12  LEU  69          HD12      LEU  69  46.837 -12.111  -1.995
  522   HD13  LEU  69          HD13      LEU  69  45.907 -13.138  -3.092
  523   HD21  LEU  69          HD21      LEU  69  44.163  -9.766  -1.111
  524   HD22  LEU  69          HD22      LEU  69  45.839 -10.244  -0.851
  525   HD23  LEU  69          HD23      LEU  69  45.353  -9.533  -2.403
  526    H    LYS  70           H        LYS  70  40.977  -9.639  -3.010
  527    HA   LYS  70           HA       LYS  70  41.374  -8.488  -0.323
  528    HB2  LYS  70           HB2      LYS  70  39.870  -7.393  -2.735
  529    HB3  LYS  70           HB3      LYS  70  40.237  -6.503  -1.260
  530    HG2  LYS  70           HG2      LYS  70  42.677  -6.749  -1.703
  531    HG3  LYS  70           HG3      LYS  70  42.319  -7.643  -3.178
  532    HD2  LYS  70           HD2      LYS  70  42.837  -5.404  -3.832
  533    HD3  LYS  70           HD3      LYS  70  41.128  -5.686  -4.111
  534    HE2  LYS  70           HE2      LYS  70  41.315  -3.491  -3.247
  535    HE3  LYS  70           HE3      LYS  70  40.600  -4.464  -1.967
  536    HZ1  LYS  70           HZ1      LYS  70  43.480  -3.675  -2.130
  537    HZ2  LYS  70           HZ2      LYS  70  42.380  -2.998  -1.138
  538    HZ3  LYS  70           HZ3      LYS  70  42.830  -4.549  -0.906
  539    H    ARG  71           H        ARG  71  39.545  -7.480   0.829
  540    HA   ARG  71           HA       ARG  71  37.297  -9.437   1.077
  541    HB2  ARG  71           HB2      ARG  71  37.171  -8.887   3.415
  542    HB3  ARG  71           HB3      ARG  71  38.751  -9.478   2.969
  543    HG2  ARG  71           HG2      ARG  71  38.501  -6.495   2.930
  544    HG3  ARG  71           HG3      ARG  71  38.244  -7.247   4.506
  545    HD2  ARG  71           HD2      ARG  71  40.391  -8.396   4.388
  546    HD3  ARG  71           HD3      ARG  71  40.701  -7.729   2.774
  547    HE   ARG  71           HE       ARG  71  40.187  -5.534   4.470
  548   HH11  ARG  71          HH11      ARG  71  42.673  -8.002   4.263
  549   HH12  ARG  71          HH12      ARG  71  43.875  -6.980   5.001
  550   HH21  ARG  71          HH21      ARG  71  41.769  -4.287   5.405
  551   HH22  ARG  71          HH22      ARG  71  43.369  -4.928   5.629
  552    H    ASP  72           H        ASP  72  37.347  -6.929  -0.667
  553    HA   ASP  72           HA       ASP  72  35.190  -5.312   0.459
  554    HB2  ASP  72           HB2      ASP  72  35.296  -4.010  -1.501
  555    HB3  ASP  72           HB3      ASP  72  36.935  -4.363  -1.012
  556    H    PHE  73           H        PHE  73  35.181  -8.268  -1.375
  557    HA   PHE  73           HA       PHE  73  33.239  -7.974  -3.240
  558    HB2  PHE  73           HB2      PHE  73  34.418 -10.007  -3.068
  559    HB3  PHE  73           HB3      PHE  73  33.849 -10.340  -1.441
  560    HD1  PHE  73           HD1      PHE  73  31.454 -11.054  -1.036
  561    HD2  PHE  73           HD2      PHE  73  33.148 -10.717  -4.991
  562    HE1  PHE  73           HE1      PHE  73  29.547 -12.328  -1.963
  563    HE2  PHE  73           HE2      PHE  73  31.242 -12.014  -5.916
  564    HZ   PHE  73           HZ       PHE  73  29.421 -12.786  -4.385
  565    H    GLU  74           H        GLU  74  32.386  -8.778   0.172
  566    HA   GLU  74           HA       GLU  74  29.565  -8.834  -0.253
  567    HB2  GLU  74           HB2      GLU  74  31.002  -9.604   1.762
  568    HB3  GLU  74           HB3      GLU  74  30.891  -7.931   2.320
  569    HG2  GLU  74           HG2      GLU  74  28.393  -8.112   2.264
  570    HG3  GLU  74           HG3      GLU  74  28.547  -9.781   1.703
  571    H    LYS  75           H        LYS  75  31.727  -6.171   0.563
  572    HA   LYS  75           HA       LYS  75  29.662  -4.172   1.023
  573    HB2  LYS  75           HB2      LYS  75  32.660  -3.776   0.442
  574    HB3  LYS  75           HB3      LYS  75  31.511  -2.569   1.019
  575    HG2  LYS  75           HG2      LYS  75  32.242  -3.155   3.079
  576    HG3  LYS  75           HG3      LYS  75  31.070  -4.455   2.919
  577    HD2  LYS  75           HD2      LYS  75  33.149  -5.765   1.835
  578    HD3  LYS  75           HD3      LYS  75  34.086  -4.510   2.662
  579    HE2  LYS  75           HE2      LYS  75  32.766  -5.148   4.788
  580    HE3  LYS  75           HE3      LYS  75  32.128  -6.520   3.870
  581    HZ1  LYS  75           HZ1      LYS  75  34.987  -6.009   4.547
  582    HZ2  LYS  75           HZ2      LYS  75  34.068  -7.247   5.081
  583    HZ3  LYS  75           HZ3      LYS  75  34.537  -7.186   3.503
  584    H    THR  76           H        THR  76  31.802  -4.944  -1.717
  585    HA   THR  76           HA       THR  76  30.740  -3.081  -3.595
  586    HB   THR  76           HB       THR  76  32.147  -5.754  -3.940
  587    HG1  THR  76           HG1      THR  76  33.883  -4.535  -3.898
  588   HG21  THR  76          HG21      THR  76  31.406  -3.647  -6.020
  589   HG22  THR  76          HG22      THR  76  32.700  -4.855  -6.250
  590   HG23  THR  76          HG23      THR  76  31.020  -5.377  -6.053
  591    H    VAL  77           H        VAL  77  29.627  -6.422  -2.818
  592    HA   VAL  77           HA       VAL  77  27.501  -6.498  -4.765
  593    HB   VAL  77           HB       VAL  77  27.891  -7.913  -2.109
  594   HG11  VAL  77          HG11      VAL  77  25.599  -8.256  -4.084
  595   HG12  VAL  77          HG12      VAL  77  25.989  -9.379  -2.762
  596   HG13  VAL  77          HG13      VAL  77  25.454  -7.755  -2.381
  597   HG21  VAL  77          HG21      VAL  77  29.285  -8.556  -4.156
  598   HG22  VAL  77          HG22      VAL  77  28.313  -9.850  -3.455
  599   HG23  VAL  77          HG23      VAL  77  27.761  -9.036  -4.934
  600    H    VAL  78           H        VAL  78  27.396  -5.523  -1.273
  601    HA   VAL  78           HA       VAL  78  24.635  -4.772  -1.346
  602    HB   VAL  78           HB       VAL  78  26.903  -3.925   0.493
  603   HG11  VAL  78          HG11      VAL  78  23.907  -3.421   0.813
  604   HG12  VAL  78          HG12      VAL  78  25.120  -3.234   2.099
  605   HG13  VAL  78          HG13      VAL  78  25.182  -2.185   0.686
  606   HG21  VAL  78          HG21      VAL  78  26.229  -6.345   0.528
  607   HG22  VAL  78          HG22      VAL  78  25.867  -5.515   2.042
  608   HG23  VAL  78          HG23      VAL  78  24.562  -5.853   0.880
  609    H    ALA  79           H        ALA  79  27.575  -2.880  -2.021
  610    HA   ALA  79           HA       ALA  79  26.223  -0.349  -2.288
  611    HB1  ALA  79           HB1      ALA  79  28.891  -1.365  -3.359
  612    HB2  ALA  79           HB2      ALA  79  28.407   0.347  -3.195
  613    HB3  ALA  79           HB3      ALA  79  28.615  -0.663  -1.750
  614    H    ALA  80           H        ALA  80  26.908  -2.994  -4.641
  615    HA   ALA  80           HA       ALA  80  26.171  -1.495  -6.978
  616    HB1  ALA  80           HB1      ALA  80  25.982  -4.495  -6.430
  617    HB2  ALA  80           HB2      ALA  80  26.003  -3.702  -8.020
  618    HB3  ALA  80           HB3      ALA  80  27.442  -3.644  -6.978
  619    H    LEU  81           H        LEU  81  24.214  -3.030  -4.467
  620    HA   LEU  81           HA       LEU  81  21.738  -3.233  -5.939
  621    HB2  LEU  81           HB2      LEU  81  21.993  -2.628  -2.967
  622    HB3  LEU  81           HB3      LEU  81  20.652  -3.394  -3.791
  623    HG   LEU  81           HG       LEU  81  23.401  -4.621  -3.451
  624   HD11  LEU  81          HD11      LEU  81  20.851  -5.163  -1.913
  625   HD12  LEU  81          HD12      LEU  81  22.414  -6.003  -1.730
  626   HD13  LEU  81          HD13      LEU  81  22.273  -4.291  -1.298
  627   HD21  LEU  81          HD21      LEU  81  22.148  -5.580  -5.367
  628   HD22  LEU  81          HD22      LEU  81  22.351  -6.744  -4.047
  629   HD23  LEU  81          HD23      LEU  81  20.791  -5.939  -4.268
  630    H    ILE  82           H        ILE  82  23.049  -0.703  -3.801
  631    HA   ILE  82           HA       ILE  82  20.940   1.220  -4.220
  632    HB   ILE  82           HB       ILE  82  23.804   1.623  -3.253
  633   HG12  ILE  82          HG12      ILE  82  21.235   1.243  -1.639
  634   HG13  ILE  82          HG13      ILE  82  22.452  -0.008  -1.883
  635   HG21  ILE  82          HG21      ILE  82  21.348   3.426  -2.971
  636   HG22  ILE  82          HG22      ILE  82  22.944   3.729  -2.250
  637   HG23  ILE  82          HG23      ILE  82  22.764   3.756  -3.991
  638   HD11  ILE  82          HD11      ILE  82  22.842   2.569  -0.334
  639   HD12  ILE  82          HD12      ILE  82  22.814   0.912   0.277
  640   HD13  ILE  82          HD13      ILE  82  24.155   1.440  -0.756
  641    H    GLN  83           H        GLN  83  24.218   0.884  -5.677
  642    HA   GLN  83           HA       GLN  83  23.972   3.221  -7.312
  643    HB2  GLN  83           HB2      GLN  83  25.764   0.763  -7.514
  644    HB3  GLN  83           HB3      GLN  83  25.941   2.187  -8.548
  645    HG2  GLN  83           HG2      GLN  83  26.346   3.636  -6.674
  646    HG3  GLN  83           HG3      GLN  83  26.000   2.372  -5.502
  647   HE21  GLN  83          HE21      GLN  83  29.141   0.675  -5.981
  648   HE22  GLN  83          HE22      GLN  83  27.425   0.369  -5.651
  649    H    THR  84           H        THR  84  22.855  -0.076  -7.873
  650    HA   THR  84           HA       THR  84  22.234   0.194 -10.680
  651    HB   THR  84           HB       THR  84  20.969  -1.521  -8.512
  652    HG1  THR  84           HG1      THR  84  23.062  -2.104  -8.877
  653   HG21  THR  84          HG21      THR  84  20.788  -1.790 -11.520
  654   HG22  THR  84          HG22      THR  84  20.194  -2.942 -10.314
  655   HG23  THR  84          HG23      THR  84  19.433  -1.348 -10.463
  656    H    GLU  85           H        GLU  85  20.241   0.894  -7.689
  657    HA   GLU  85           HA       GLU  85  18.064   1.842  -9.424
  658    HB2  GLU  85           HB2      GLU  85  16.870   2.406  -7.489
  659    HB3  GLU  85           HB3      GLU  85  17.538   0.796  -7.271
  660    HG2  GLU  85           HG2      GLU  85  19.112   1.543  -5.661
  661    HG3  GLU  85           HG3      GLU  85  18.904   3.244  -6.087
  662    H    GLU  86           H        GLU  86  20.785   3.427  -7.735
  663    HA   GLU  86           HA       GLU  86  19.881   6.089  -7.972
  664    HB2  GLU  86           HB2      GLU  86  22.643   4.872  -7.981
  665    HB3  GLU  86           HB3      GLU  86  22.403   6.617  -8.057
  666    HG2  GLU  86           HG2      GLU  86  20.998   5.018  -5.914
  667    HG3  GLU  86           HG3      GLU  86  22.701   5.437  -5.732
  668    H    ALA  87           H        ALA  87  21.271   4.054 -10.525
  669    HA   ALA  87           HA       ALA  87  21.508   6.110 -12.529
  670    HB1  ALA  87           HB1      ALA  87  20.878   3.126 -12.819
  671    HB2  ALA  87           HB2      ALA  87  21.471   4.206 -14.091
  672    HB3  ALA  87           HB3      ALA  87  22.509   3.833 -12.699
  673    H    LEU  88           H        LEU  88  18.779   4.023 -11.502
  674    HA   LEU  88           HA       LEU  88  17.046   4.966 -13.684
  675    HB2  LEU  88           HB2      LEU  88  16.413   3.146 -11.353
  676    HB3  LEU  88           HB3      LEU  88  15.463   3.335 -12.821
  677    HG   LEU  88           HG       LEU  88  18.212   2.035 -12.553
  678   HD11  LEU  88          HD11      LEU  88  15.500   0.919 -13.329
  679   HD12  LEU  88          HD12      LEU  88  17.019   0.012 -13.132
  680   HD13  LEU  88          HD13      LEU  88  16.259   0.767 -11.725
  681   HD21  LEU  88          HD21      LEU  88  18.188   3.077 -14.717
  682   HD22  LEU  88          HD22      LEU  88  17.849   1.361 -14.950
  683   HD23  LEU  88          HD23      LEU  88  16.510   2.524 -15.027
  684    H    ASN  89           H        ASN  89  17.617   5.726 -10.354
  685    HA   ASN  89           HA       ASN  89  15.217   7.031  -9.687
  686    HB2  ASN  89           HB2      ASN  89  18.034   6.956  -8.675
  687    HB3  ASN  89           HB3      ASN  89  17.118   8.326  -8.157
  688   HD21  ASN  89          HD21      ASN  89  16.514   4.896  -6.279
  689   HD22  ASN  89          HD22      ASN  89  17.671   5.081  -7.599
  690    H    ARG  90           H        ARG  90  17.906   8.236 -11.599
  691    HA   ARG  90           HA       ARG  90  16.643  10.935 -11.844
  692    HB2  ARG  90           HB2      ARG  90  19.288   9.816 -12.723
  693    HB3  ARG  90           HB3      ARG  90  18.695  11.448 -13.133
  694    HG2  ARG  90           HG2      ARG  90  18.562  12.122 -10.844
  695    HG3  ARG  90           HG3      ARG  90  18.819  10.474 -10.256
  696    HD2  ARG  90           HD2      ARG  90  20.857  11.684  -9.979
  697    HD3  ARG  90           HD3      ARG  90  21.054  10.438 -11.209
  698    HE   ARG  90           HE       ARG  90  21.358  12.050 -12.866
  699   HH11  ARG  90          HH11      ARG  90  20.478  13.746  -9.922
  700   HH12  ARG  90          HH12      ARG  90  20.933  15.295 -10.576
  701   HH21  ARG  90          HH21      ARG  90  21.904  14.049 -13.635
  702   HH22  ARG  90          HH22      ARG  90  21.720  15.455 -12.629
  703    H    ARG  91           H        ARG  91  16.462   7.963 -13.466
  704    HA   ARG  91           HA       ARG  91  15.860   9.066 -16.174
  705    HB2  ARG  91           HB2      ARG  91  15.866   6.239 -15.048
  706    HB3  ARG  91           HB3      ARG  91  15.443   6.634 -16.714
  707    HG2  ARG  91           HG2      ARG  91  17.657   7.391 -17.217
  708    HG3  ARG  91           HG3      ARG  91  18.145   7.344 -15.527
  709    HD2  ARG  91           HD2      ARG  91  18.745   5.162 -15.710
  710    HD3  ARG  91           HD3      ARG  91  17.132   4.710 -16.166
  711    HE   ARG  91           HE       ARG  91  19.442   5.358 -17.945
  712   HH11  ARG  91          HH11      ARG  91  16.065   4.336 -17.940
  713   HH12  ARG  91          HH12      ARG  91  16.137   3.866 -19.611
  714   HH21  ARG  91          HH21      ARG  91  19.429   4.738 -20.053
  715   HH22  ARG  91          HH22      ARG  91  17.987   4.086 -20.770
  716    H    GLN  92           H        GLN  92  14.185   7.136 -13.712
  717    HA   GLN  92           HA       GLN  92  11.531   7.963 -14.847
  718    HB2  GLN  92           HB2      GLN  92  10.836   5.593 -14.745
  719    HB3  GLN  92           HB3      GLN  92  12.040   5.960 -15.976
  720    HG2  GLN  92           HG2      GLN  92  13.797   4.861 -14.749
  721    HG3  GLN  92           HG3      GLN  92  12.806   4.713 -13.298
  722   HE21  GLN  92          HE21      GLN  92  10.865   1.961 -14.590
  723   HE22  GLN  92          HE22      GLN  92  10.805   3.296 -13.446
  724    H    ILE  93           H        ILE  93  13.124   6.497 -11.979
  725    HA   ILE  93           HA       ILE  93  10.642   6.467 -10.482
  726    HB   ILE  93           HB       ILE  93  13.320   6.542  -9.098
  727   HG12  ILE  93          HG12      ILE  93  12.113   4.121 -10.518
  728   HG13  ILE  93          HG13      ILE  93  13.653   4.896 -10.907
  729   HG21  ILE  93          HG21      ILE  93  10.718   5.084  -8.529
  730   HG22  ILE  93          HG22      ILE  93  12.151   5.133  -7.474
  731   HG23  ILE  93          HG23      ILE  93  11.246   6.603  -7.758
  732   HD11  ILE  93          HD11      ILE  93  13.065   3.289  -8.414
  733   HD12  ILE  93          HD12      ILE  93  14.157   2.901  -9.747
  734   HD13  ILE  93          HD13      ILE  93  14.542   4.256  -8.669
  735    H    ASN  94           H        ASN  94  12.848   8.990 -11.249
  736    HA   ASN  94           HA       ASN  94  12.436  10.880  -9.264
  737    HB2  ASN  94           HB2      ASN  94  13.692  10.786 -11.762
  738    HB3  ASN  94           HB3      ASN  94  12.389  11.897 -12.099
  739   HD21  ASN  94          HD21      ASN  94  15.527  12.965  -9.704
  740   HD22  ASN  94          HD22      ASN  94  15.144  11.261  -9.967
  741    H    GLN  95           H        GLN  95  10.255  10.127 -12.022
  742    HA   GLN  95           HA       GLN  95   8.330  12.201 -11.374
  743    HB2  GLN  95           HB2      GLN  95   8.075   9.700 -13.096
  744    HB3  GLN  95           HB3      GLN  95   6.866  10.985 -12.971
  745    HG2  GLN  95           HG2      GLN  95   8.587  12.633 -13.785
  746    HG3  GLN  95           HG3      GLN  95   9.702  11.294 -14.053
  747   HE21  GLN  95          HE21      GLN  95   7.960  10.112 -16.973
  748   HE22  GLN  95          HE22      GLN  95   9.062   9.643 -15.683
  749    H    ALA  96           H        ALA  96   8.591   8.720 -10.592
  750    HA   ALA  96           HA       ALA  96   6.055   8.486  -9.287
  751    HB1  ALA  96           HB1      ALA  96   8.623   6.892  -8.861
  752    HB2  ALA  96           HB2      ALA  96   6.988   6.406  -8.374
  753    HB3  ALA  96           HB3      ALA  96   7.382   6.567 -10.096
  754    H    LEU  97           H        LEU  97   9.336   9.177  -7.912
  755    HA   LEU  97           HA       LEU  97   8.299   9.479  -5.242
  756    HB2  LEU  97           HB2      LEU  97  10.459  10.058  -4.572
  757    HB3  LEU  97           HB3      LEU  97  10.566   8.795  -5.786
  758    HG   LEU  97           HG       LEU  97  11.020  10.823  -7.426
  759   HD11  LEU  97          HD11      LEU  97  12.022  11.926  -4.756
  760   HD12  LEU  97          HD12      LEU  97  12.362  12.607  -6.361
  761   HD13  LEU  97          HD13      LEU  97  10.721  12.647  -5.722
  762   HD21  LEU  97          HD21      LEU  97  12.601   9.004  -6.972
  763   HD22  LEU  97          HD22      LEU  97  13.449  10.558  -7.004
  764   HD23  LEU  97          HD23      LEU  97  13.086   9.780  -5.449
  765    H    LEU  98           H        LEU  98   8.772  11.798  -7.844
  766    HA   LEU  98           HA       LEU  98   8.191  14.198  -6.368
  767    HB2  LEU  98           HB2      LEU  98   9.174  14.325  -8.575
  768    HB3  LEU  98           HB3      LEU  98   7.854  13.385  -9.275
  769    HG   LEU  98           HG       LEU  98   6.269  15.229  -8.790
  770   HD11  LEU  98          HD11      LEU  98   8.789  16.787  -8.045
  771   HD12  LEU  98          HD12      LEU  98   7.171  17.485  -8.284
  772   HD13  LEU  98          HD13      LEU  98   7.461  16.369  -6.944
  773   HD21  LEU  98          HD21      LEU  98   7.335  15.002 -10.995
  774   HD22  LEU  98          HD22      LEU  98   7.079  16.706 -10.590
  775   HD23  LEU  98          HD23      LEU  98   8.704  15.998 -10.453
  776    H    SER  99           H        SER  99   6.107  11.847  -8.113
  777    HA   SER  99           HA       SER  99   3.692  13.240  -7.588
  778    HB2  SER  99           HB2      SER  99   4.072  11.529  -9.383
  779    HB3  SER  99           HB3      SER  99   4.028  10.267  -8.134
  780    HG   SER  99           HG       SER  99   1.971  10.616  -9.167
  781    H    THR 100           H        THR 100   5.477  10.858  -5.704
  782    HA   THR 100           HA       THR 100   3.764  11.057  -3.357
  783    HB   THR 100           HB       THR 100   4.087   8.349  -4.757
  784    HG1  THR 100           HG1      THR 100   1.880   8.436  -5.099
  785   HG21  THR 100          HG21      THR 100   2.524   9.188  -2.268
  786   HG22  THR 100          HG22      THR 100   2.483   7.573  -3.015
  787   HG23  THR 100          HG23      THR 100   3.979   8.168  -2.292
  788    H    GLY 101           H        GLY 101   5.517  11.800  -2.388
  789    HA2  GLY 101           HA2      GLY 101   6.781  11.112  -0.450
  790    HA3  GLY 101           HA3      GLY 101   7.257   9.633  -1.274
  791    H    ASP 102           H        ASP 102   7.516  13.166  -1.775
  792    HA   ASP 102           HA       ASP 102   9.913  13.238  -3.223
  793    HB2  ASP 102           HB2      ASP 102   8.970  15.283  -1.180
  794    HB3  ASP 102           HB3      ASP 102  10.219  15.531  -2.396
  795    H    LEU 103           H        LEU 103  12.033  13.936  -2.696
  796    HA   LEU 103           HA       LEU 103  13.232  12.654  -0.398
  797    HB2  LEU 103           HB2      LEU 103  15.225  13.000  -1.419
  798    HB3  LEU 103           HB3      LEU 103  14.141  12.961  -2.805
  799    HG   LEU 103           HG       LEU 103  15.299  15.480  -1.526
  800   HD11  LEU 103          HD11      LEU 103  16.014  14.077  -4.130
  801   HD12  LEU 103          HD12      LEU 103  16.703  15.605  -3.534
  802   HD13  LEU 103          HD13      LEU 103  17.000  14.098  -2.653
  803   HD21  LEU 103          HD21      LEU 103  13.160  15.979  -2.649
  804   HD22  LEU 103          HD22      LEU 103  14.502  16.614  -3.596
  805   HD23  LEU 103          HD23      LEU 103  13.703  15.114  -4.108
  806    H    ALA 104           H        ALA 104  14.619  13.687   1.159
  807    HA   ALA 104           HA       ALA 104  14.243  16.577   1.650
  808    HB1  ALA 104           HB1      ALA 104  13.579  14.441   3.728
  809    HB2  ALA 104           HB2      ALA 104  13.500  16.202   3.969
  810    HB3  ALA 104           HB3      ALA 104  12.389  15.416   2.838
  811    H    HIS 105           H        HIS 105  16.536  14.916   0.830
  812    HA   HIS 105           HA       HIS 105  18.408  15.273   3.150
  813    HB2  HIS 105           HB2      HIS 105  18.138  12.967   2.356
  814    HB3  HIS 105           HB3      HIS 105  18.628  13.452   0.732
  815    HD2  HIS 105           HD2      HIS 105  20.086  13.317   4.351
  816    HE1  HIS 105           HE1      HIS 105  23.372  13.030   1.643
  817    HE2  HIS 105           HE2      HIS 105  22.689  12.971   4.096
  818    H    ASP 106           H        ASP 106  18.255  15.749  -0.417
  819    HA   ASP 106           HA       ASP 106  20.003  18.111  -0.181
  820    HB2  ASP 106           HB2      ASP 106  21.520  16.147  -0.402
  821    HB3  ASP 106           HB3      ASP 106  20.721  15.705  -1.909
  822    H    GLU 107           H        GLU 107  17.505  18.559  -0.637
  823    HA   GLU 107           HA       GLU 107  16.374  18.108  -3.163
  824    HB2  GLU 107           HB2      GLU 107  15.868  20.538  -1.399
  825    HB3  GLU 107           HB3      GLU 107  14.826  19.884  -2.654
  826    HG2  GLU 107           HG2      GLU 107  13.758  18.960  -0.906
  827    HG3  GLU 107           HG3      GLU 107  14.942  17.681  -1.126
  828    H    PHE 108           H        PHE 108  18.424  20.857  -2.191
  829    HA   PHE 108           HA       PHE 108  18.801  21.682  -5.001
  830    HB2  PHE 108           HB2      PHE 108  17.786  23.546  -2.818
  831    HB3  PHE 108           HB3      PHE 108  18.390  24.062  -4.381
  832    HD1  PHE 108           HD1      PHE 108  15.519  22.692  -2.581
  833    HD2  PHE 108           HD2      PHE 108  17.152  23.483  -6.490
  834    HE1  PHE 108           HE1      PHE 108  13.251  22.460  -3.575
  835    HE2  PHE 108           HE2      PHE 108  14.883  23.252  -7.484
  836    HZ   PHE 108           HZ       PHE 108  12.931  22.739  -6.027
  Start of MODEL    9
    1    H1   ALA   1           H1       ALA   1   0.911   1.124  -4.947
    2    H2   ALA   1           H2       ALA   1  -0.053   1.773  -6.095
    3    H3   ALA   1           H3       ALA   1   0.713   0.358  -6.385
    4    HA   ALA   1           HA       ALA   1  -1.386   0.820  -4.362
    5    HB1  ALA   1           HB1      ALA   1  -1.621  -0.695  -7.001
    6    HB2  ALA   1           HB2      ALA   1  -2.857  -0.619  -5.726
    7    HB3  ALA   1           HB3      ALA   1  -2.381   0.854  -6.583
    8    H    VAL   2           H        VAL   2  -0.255  -2.168  -6.079
    9    HA   VAL   2           HA       VAL   2   0.818  -3.267  -3.565
   10    HB   VAL   2           HB       VAL   2  -1.586  -3.783  -3.468
   11   HG11  VAL   2          HG11      VAL   2  -1.190  -5.462  -5.977
   12   HG12  VAL   2          HG12      VAL   2  -2.648  -5.368  -4.973
   13   HG13  VAL   2          HG13      VAL   2  -2.117  -3.947  -5.879
   14   HG21  VAL   2          HG21      VAL   2   0.069  -5.320  -2.448
   15   HG22  VAL   2          HG22      VAL   2  -1.422  -6.125  -2.953
   16   HG23  VAL   2          HG23      VAL   2   0.041  -6.307  -3.931
   17    H    GLU   3           H        GLU   3   2.273  -4.972  -3.858
   18    HA   GLU   3           HA       GLU   3   2.970  -5.766  -6.648
   19    HB2  GLU   3           HB2      GLU   3   4.861  -4.749  -4.486
   20    HB3  GLU   3           HB3      GLU   3   5.365  -5.559  -5.969
   21    HG2  GLU   3           HG2      GLU   3   4.274  -3.767  -7.316
   22    HG3  GLU   3           HG3      GLU   3   3.849  -2.920  -5.824
   23    H    VAL   4           H        VAL   4   3.792  -7.805  -6.904
   24    HA   VAL   4           HA       VAL   4   3.986  -9.587  -4.516
   25    HB   VAL   4           HB       VAL   4   2.730 -10.620  -7.028
   26   HG11  VAL   4          HG11      VAL   4   2.253 -11.230  -4.065
   27   HG12  VAL   4          HG12      VAL   4   1.550 -12.111  -5.438
   28   HG13  VAL   4          HG13      VAL   4   3.285 -12.190  -5.139
   29   HG21  VAL   4          HG21      VAL   4   1.300  -8.686  -6.619
   30   HG22  VAL   4          HG22      VAL   4   0.450 -10.152  -6.148
   31   HG23  VAL   4          HG23      VAL   4   1.163  -9.113  -4.896
   32    H    GLU   5           H        GLU   5   6.015  -8.310  -6.185
   33    HA   GLU   5           HA       GLU   5   8.010  -8.695  -7.213
   34    HB2  GLU   5           HB2      GLU   5   7.893 -11.358  -5.760
   35    HB3  GLU   5           HB3      GLU   5   9.332 -10.572  -6.417
   36    HG2  GLU   5           HG2      GLU   5   9.006  -8.657  -4.883
   37    HG3  GLU   5           HG3      GLU   5   7.587  -9.446  -4.190
   38    H    VAL   6           H        VAL   6   5.865  -9.089  -8.862
   39    HA   VAL   6           HA       VAL   6   5.951 -11.558 -10.273
   40    HB   VAL   6           HB       VAL   6   4.699  -8.927 -11.100
   41   HG11  VAL   6          HG11      VAL   6   4.286 -11.730 -12.229
   42   HG12  VAL   6          HG12      VAL   6   3.278 -10.314 -12.597
   43   HG13  VAL   6          HG13      VAL   6   4.967 -10.335 -13.100
   44   HG21  VAL   6          HG21      VAL   6   3.750  -9.817  -9.022
   45   HG22  VAL   6          HG22      VAL   6   2.605 -10.023 -10.345
   46   HG23  VAL   6          HG23      VAL   6   3.548 -11.416  -9.771
   47    HA   PRO   7           HA       PRO   7   8.461  -9.661 -13.788
   48    HB2  PRO   7           HB2      PRO   7   9.583  -7.220 -13.809
   49    HB3  PRO   7           HB3      PRO   7   7.830  -7.416 -14.069
   50    HG2  PRO   7           HG2      PRO   7   9.232  -6.789 -11.451
   51    HG3  PRO   7           HG3      PRO   7   7.871  -5.888 -12.203
   52    HD2  PRO   7           HD2      PRO   7   7.460  -7.785 -10.299
   53    HD3  PRO   7           HD3      PRO   7   6.332  -7.591 -11.677
   54    H    GLY   8           H        GLY   8  10.726  -9.392 -14.356
   55    HA2  GLY   8           HA2      GLY   8  12.994  -8.826 -13.131
   56    HA3  GLY   8           HA3      GLY   8  12.628 -10.295 -12.235
   57    H    LEU   9           H        LEU   9  14.832  -9.578 -14.176
   58    HA   LEU   9           HA       LEU   9  14.804 -12.161 -15.557
   59    HB2  LEU   9           HB2      LEU   9  15.434 -11.286 -17.757
   60    HB3  LEU   9           HB3      LEU   9  13.811 -10.914 -17.238
   61    HG   LEU   9           HG       LEU   9  14.572  -8.568 -16.685
   62   HD11  LEU   9          HD11      LEU   9  17.014  -9.382 -18.313
   63   HD12  LEU   9          HD12      LEU   9  16.560  -7.711 -17.908
   64   HD13  LEU   9          HD13      LEU   9  17.005  -8.841 -16.626
   65   HD21  LEU   9          HD21      LEU   9  13.305  -9.133 -18.712
   66   HD22  LEU   9          HD22      LEU   9  14.479  -7.851 -19.042
   67   HD23  LEU   9          HD23      LEU   9  14.817  -9.516 -19.562
   68    H    LEU  10           H        LEU  10  16.213 -11.372 -13.269
   69    HA   LEU  10           HA       LEU  10  19.002 -10.876 -13.831
   70    HB2  LEU  10           HB2      LEU  10  17.547 -12.201 -11.520
   71    HB3  LEU  10           HB3      LEU  10  19.286 -12.192 -11.608
   72    HG   LEU  10           HG       LEU  10  17.859  -9.555 -11.879
   73   HD11  LEU  10          HD11      LEU  10  18.364 -10.985  -9.235
   74   HD12  LEU  10          HD12      LEU  10  17.886  -9.281  -9.412
   75   HD13  LEU  10          HD13      LEU  10  16.779 -10.566  -9.919
   76   HD21  LEU  10          HD21      LEU  10  20.352  -9.712 -12.097
   77   HD22  LEU  10          HD22      LEU  10  19.850  -8.704 -10.725
   78   HD23  LEU  10          HD23      LEU  10  20.425 -10.356 -10.432
   79    H    THR  11           H        THR  11  20.265 -12.094 -14.999
   80    HA   THR  11           HA       THR  11  20.033 -15.057 -14.832
   81    HB   THR  11           HB       THR  11  20.732 -13.354 -17.237
   82    HG1  THR  11           HG1      THR  11  18.918 -14.365 -18.083
   83   HG21  THR  11          HG21      THR  11  20.950 -16.370 -16.847
   84   HG22  THR  11          HG22      THR  11  20.899 -15.579 -18.436
   85   HG23  THR  11          HG23      THR  11  22.235 -15.232 -17.338
   86    H    ASP  12           H        ASP  12  21.807 -16.210 -14.510
   87    HA   ASP  12           HA       ASP  12  24.249 -15.000 -13.549
   88    HB2  ASP  12           HB2      ASP  12  24.911 -17.283 -13.102
   89    HB3  ASP  12           HB3      ASP  12  23.300 -16.972 -12.492
   90    H    HIS  13           H        HIS  13  24.312 -13.831 -15.781
   91    HA   HIS  13           HA       HIS  13  25.777 -15.315 -17.884
   92    HB2  HIS  13           HB2      HIS  13  24.849 -12.446 -17.593
   93    HB3  HIS  13           HB3      HIS  13  25.951 -12.943 -18.873
   94    HD2  HIS  13           HD2      HIS  13  24.677 -15.531 -19.998
   95    HE1  HIS  13           HE1      HIS  13  21.125 -13.234 -20.537
   96    HE2  HIS  13           HE2      HIS  13  22.370 -15.337 -21.254
   97    H    THR  14           H        THR  14  26.980 -15.716 -15.535
   98    HA   THR  14           HA       THR  14  29.435 -14.097 -15.625
   99    HB   THR  14           HB       THR  14  29.525 -14.116 -13.149
  100    HG1  THR  14           HG1      THR  14  27.584 -14.610 -12.053
  101   HG21  THR  14          HG21      THR  14  26.909 -12.871 -14.066
  102   HG22  THR  14          HG22      THR  14  27.917 -12.398 -12.685
  103   HG23  THR  14          HG23      THR  14  28.505 -12.140 -14.333
  104    H    VAL  15           H        VAL  15  31.404 -15.168 -15.337
  105    HA   VAL  15           HA       VAL  15  31.329 -18.085 -14.767
  106    HB   VAL  15           HB       VAL  15  30.946 -17.670 -17.150
  107   HG11  VAL  15          HG11      VAL  15  33.792 -16.653 -17.321
  108   HG12  VAL  15          HG12      VAL  15  32.727 -17.060 -18.680
  109   HG13  VAL  15          HG13      VAL  15  32.311 -15.717 -17.611
  110   HG21  VAL  15          HG21      VAL  15  31.894 -19.786 -16.314
  111   HG22  VAL  15          HG22      VAL  15  32.316 -19.403 -17.989
  112   HG23  VAL  15          HG23      VAL  15  33.521 -19.190 -16.714
  113    H    SER  16           H        SER  16  32.221 -16.220 -12.978
  114    HA   SER  16           HA       SER  16  35.184 -16.720 -12.843
  115    HB2  SER  16           HB2      SER  16  35.138 -14.460 -13.343
  116    HB3  SER  16           HB3      SER  16  33.602 -14.194 -12.510
  117    HG   SER  16           HG       SER  16  36.168 -14.149 -11.488
  118    H    SER  17           H        SER  17  36.075 -17.115 -10.786
  119    HA   SER  17           HA       SER  17  34.520 -18.489  -8.872
  120    HB2  SER  17           HB2      SER  17  37.187 -17.088  -8.436
  121    HB3  SER  17           HB3      SER  17  36.508 -18.403  -7.458
  122    HG   SER  17           HG       SER  17  38.013 -19.190  -9.018
  123    H    ILE  18           H        ILE  18  35.269 -15.036  -9.039
  124    HA   ILE  18           HA       ILE  18  33.629 -14.513  -6.591
  125    HB   ILE  18           HB       ILE  18  34.324 -12.047  -7.299
  126   HG12  ILE  18          HG12      ILE  18  36.755 -13.624  -8.244
  127   HG13  ILE  18          HG13      ILE  18  35.538 -12.921  -9.322
  128   HG21  ILE  18          HG21      ILE  18  36.167 -13.963  -5.818
  129   HG22  ILE  18          HG22      ILE  18  36.125 -12.188  -5.643
  130   HG23  ILE  18          HG23      ILE  18  34.741 -13.149  -5.130
  131   HD11  ILE  18          HD11      ILE  18  37.072 -11.179  -7.435
  132   HD12  ILE  18          HD12      ILE  18  37.643 -11.631  -9.063
  133   HD13  ILE  18          HD13      ILE  18  36.130 -10.771  -8.895
  134    H    GLY  19           H        GLY  19  33.624 -13.820 -10.146
  135    HA2  GLY  19           HA2      GLY  19  31.306 -12.137 -10.004
  136    HA3  GLY  19           HA3      GLY  19  31.920 -12.931 -11.452
  137    H    HIS  20           H        HIS  20  31.512 -15.684 -10.243
  138    HA   HIS  20           HA       HIS  20  28.712 -16.163 -10.833
  139    HB2  HIS  20           HB2      HIS  20  30.474 -17.837 -11.196
  140    HB3  HIS  20           HB3      HIS  20  30.804 -17.888  -9.460
  141    HD2  HIS  20           HD2      HIS  20  29.385 -19.535  -8.024
  142    HE1  HIS  20           HE1      HIS  20  26.443 -20.623 -10.920
  143    HE2  HIS  20           HE2      HIS  20  27.348 -21.116  -8.589
  144    H    ASP  21           H        ASP  21  30.575 -15.654  -7.813
  145    HA   ASP  21           HA       ASP  21  28.268 -16.217  -6.102
  146    HB2  ASP  21           HB2      ASP  21  31.110 -15.314  -5.642
  147    HB3  ASP  21           HB3      ASP  21  29.895 -15.082  -4.392
  148    H    PHE  22           H        PHE  22  29.771 -13.237  -7.487
  149    HA   PHE  22           HA       PHE  22  28.199 -11.329  -6.113
  150    HB2  PHE  22           HB2      PHE  22  30.010 -10.799  -7.758
  151    HB3  PHE  22           HB3      PHE  22  28.961 -11.288  -9.065
  152    HD1  PHE  22           HD1      PHE  22  29.704  -8.590  -6.655
  153    HD2  PHE  22           HD2      PHE  22  26.874 -10.009  -9.565
  154    HE1  PHE  22           HE1      PHE  22  28.750  -6.305  -6.850
  155    HE2  PHE  22           HE2      PHE  22  25.862  -7.746  -9.700
  156    HZ   PHE  22           HZ       PHE  22  26.824  -5.891  -8.371
  157    H    TYR  23           H        TYR  23  27.285 -13.251  -9.008
  158    HA   TYR  23           HA       TYR  23  24.730 -12.160  -9.443
  159    HB2  TYR  23           HB2      TYR  23  25.704 -13.783 -10.968
  160    HB3  TYR  23           HB3      TYR  23  25.670 -15.036  -9.721
  161    HD1  TYR  23           HD1      TYR  23  23.766 -16.391  -9.374
  162    HD2  TYR  23           HD2      TYR  23  23.471 -12.827 -11.771
  163    HE1  TYR  23           HE1      TYR  23  21.404 -16.958  -9.915
  164    HE2  TYR  23           HE2      TYR  23  21.086 -13.351 -12.254
  165    HH   TYR  23           HH       TYR  23  19.467 -16.294 -11.007
  166    H    ARG  24           H        ARG  24  25.519 -14.915  -7.294
  167    HA   ARG  24           HA       ARG  24  22.818 -15.255  -6.324
  168    HB2  ARG  24           HB2      ARG  24  25.420 -16.187  -5.020
  169    HB3  ARG  24           HB3      ARG  24  23.790 -16.799  -4.719
  170    HG2  ARG  24           HG2      ARG  24  23.737 -17.435  -7.231
  171    HG3  ARG  24           HG3      ARG  24  25.461 -17.086  -7.249
  172    HD2  ARG  24           HD2      ARG  24  25.249 -19.434  -6.936
  173    HD3  ARG  24           HD3      ARG  24  25.796 -18.739  -5.398
  174    HE   ARG  24           HE       ARG  24  22.897 -18.967  -5.539
  175   HH11  ARG  24          HH11      ARG  24  25.726 -20.946  -4.926
  176   HH12  ARG  24          HH12      ARG  24  24.827 -22.099  -3.979
  177   HH21  ARG  24          HH21      ARG  24  21.815 -20.464  -4.299
  178   HH22  ARG  24          HH22      ARG  24  22.668 -21.828  -3.642
  179    H    ALA  25           H        ALA  25  25.667 -13.661  -4.901
  180    HA   ALA  25           HA       ALA  25  24.382 -12.879  -2.461
  181    HB1  ALA  25           HB1      ALA  25  26.730 -11.586  -3.919
  182    HB2  ALA  25           HB2      ALA  25  26.346 -11.451  -2.186
  183    HB3  ALA  25           HB3      ALA  25  26.856 -13.011  -2.856
  184    H    PHE  26           H        PHE  26  24.739 -11.090  -5.586
  185    HA   PHE  26           HA       PHE  26  23.459  -8.711  -4.671
  186    HB2  PHE  26           HB2      PHE  26  24.819  -8.822  -6.695
  187    HB3  PHE  26           HB3      PHE  26  23.725  -9.959  -7.439
  188    HD1  PHE  26           HD1      PHE  26  24.590  -6.503  -7.135
  189    HD2  PHE  26           HD2      PHE  26  21.238  -9.123  -7.852
  190    HE1  PHE  26           HE1      PHE  26  23.342  -4.638  -8.219
  191    HE2  PHE  26           HE2      PHE  26  19.982  -7.252  -8.841
  192    HZ   PHE  26           HZ       PHE  26  21.023  -5.020  -9.061
  193    H    SER  27           H        SER  27  22.084 -11.587  -6.391
  194    HA   SER  27           HA       SER  27  19.431 -10.537  -6.427
  195    HB2  SER  27           HB2      SER  27  18.700 -12.685  -7.149
  196    HB3  SER  27           HB3      SER  27  20.235 -12.303  -7.950
  197    HG   SER  27           HG       SER  27  20.149 -14.476  -7.135
  198    H    ASP  28           H        ASP  28  21.110 -12.448  -3.949
  199    HA   ASP  28           HA       ASP  28  18.881 -13.074  -2.302
  200    HB2  ASP  28           HB2      ASP  28  21.853 -12.717  -1.862
  201    HB3  ASP  28           HB3      ASP  28  20.799 -12.891  -0.474
  202    H    LYS  29           H        LYS  29  20.727 -10.022  -2.522
  203    HA   LYS  29           HA       LYS  29  18.812  -8.852  -0.534
  204    HB2  LYS  29           HB2      LYS  29  20.742  -6.996  -0.482
  205    HB3  LYS  29           HB3      LYS  29  20.550  -8.290   0.652
  206    HG2  LYS  29           HG2      LYS  29  22.346  -8.585  -1.777
  207    HG3  LYS  29           HG3      LYS  29  22.886  -7.727  -0.345
  208    HD2  LYS  29           HD2      LYS  29  22.043 -10.650  -0.368
  209    HD3  LYS  29           HD3      LYS  29  23.695 -10.037  -0.369
  210    HE2  LYS  29           HE2      LYS  29  23.280  -8.902   1.818
  211    HE3  LYS  29           HE3      LYS  29  21.641  -9.563   1.846
  212    HZ1  LYS  29           HZ1      LYS  29  24.129 -11.214   1.864
  213    HZ2  LYS  29           HZ2      LYS  29  23.165 -10.942   3.150
  214    HZ3  LYS  29           HZ3      LYS  29  22.605 -11.817   1.898
  215    H    TRP  30           H        TRP  30  19.090  -8.924  -3.759
  216    HA   TRP  30           HA       TRP  30  18.677  -6.241  -4.530
  217    HB2  TRP  30           HB2      TRP  30  19.211  -8.005  -6.111
  218    HB3  TRP  30           HB3      TRP  30  17.666  -8.802  -5.794
  219    HD1  TRP  30           HD1      TRP  30  15.959  -8.336  -7.598
  220    HE1  TRP  30           HE1      TRP  30  15.365  -6.415  -9.189
  221    HE3  TRP  30           HE3      TRP  30  19.607  -5.003  -6.244
  222    HZ2  TRP  30           HZ2      TRP  30  16.280  -3.747  -9.724
  223    HZ3  TRP  30           HZ3      TRP  30  19.670  -2.746  -7.245
  224    HH2  TRP  30           HH2      TRP  30  18.048  -2.094  -8.999
  225    H    GLU  31           H        GLU  31  17.083  -4.847  -4.521
  226    HA   GLU  31           HA       GLU  31  14.266  -5.519  -4.367
  227    HB2  GLU  31           HB2      GLU  31  14.922  -5.663  -1.996
  228    HB3  GLU  31           HB3      GLU  31  15.645  -4.063  -2.053
  229    HG2  GLU  31           HG2      GLU  31  12.727  -4.432  -2.781
  230    HG3  GLU  31           HG3      GLU  31  13.208  -4.515  -1.093
  231    H    SER  32           H        SER  32  13.131  -3.910  -5.453
  232    HA   SER  32           HA       SER  32  14.302  -1.235  -5.806
  233    HB2  SER  32           HB2      SER  32  14.311  -1.313  -8.205
  234    HB3  SER  32           HB3      SER  32  15.436  -2.478  -7.523
  235    HG   SER  32           HG       SER  32  13.864  -4.125  -7.945
  236    H    ASP  33           H        ASP  33  12.931   0.334  -6.664
  237    HA   ASP  33           HA       ASP  33  10.075  -0.163  -6.220
  238    HB2  ASP  33           HB2      ASP  33  11.338   1.815  -5.351
  239    HB3  ASP  33           HB3      ASP  33  11.513   2.389  -7.013
  240    H    TYR  34           H        TYR  34  12.118   0.075  -9.032
  241    HA   TYR  34           HA       TYR  34   9.900   0.616 -10.899
  242    HB2  TYR  34           HB2      TYR  34  11.486   0.975 -12.530
  243    HB3  TYR  34           HB3      TYR  34  12.234   1.648 -11.103
  244    HD1  TYR  34           HD1      TYR  34  13.924   0.100  -9.824
  245    HD2  TYR  34           HD2      TYR  34  12.719  -0.501 -13.924
  246    HE1  TYR  34           HE1      TYR  34  15.818  -1.458 -10.145
  247    HE2  TYR  34           HE2      TYR  34  14.633  -2.027 -14.258
  248    HH   TYR  34           HH       TYR  34  16.991  -2.763 -11.669
  249    H    THR  35           H        THR  35  10.519  -0.949 -13.066
  250    HA   THR  35           HA       THR  35   9.162  -3.378 -12.423
  251    HB   THR  35           HB       THR  35  10.514  -2.956 -15.068
  252    HG1  THR  35           HG1      THR  35   8.884  -1.486 -15.643
  253   HG21  THR  35          HG21      THR  35   7.669  -3.758 -14.261
  254   HG22  THR  35          HG22      THR  35   8.295  -3.695 -15.925
  255   HG23  THR  35          HG23      THR  35   8.943  -4.877 -14.790
  256    H    GLY  36           H        GLY  36  12.477  -2.822 -12.017
  257    HA2  GLY  36           HA2      GLY  36  14.174  -4.249 -11.476
  258    HA3  GLY  36           HA3      GLY  36  12.913  -5.465 -11.199
  259    H    ASN  37           H        ASN  37  13.453  -4.175 -14.408
  260    HA   ASN  37           HA       ASN  37  14.111  -6.878 -15.342
  261    HB2  ASN  37           HB2      ASN  37  13.668  -4.336 -16.929
  262    HB3  ASN  37           HB3      ASN  37  13.825  -5.968 -17.583
  263   HD21  ASN  37          HD21      ASN  37  10.538  -6.955 -16.331
  264   HD22  ASN  37          HD22      ASN  37  12.173  -7.594 -16.251
  265    H    LEU  38           H        LEU  38  16.146  -6.768 -14.097
  266    HA   LEU  38           HA       LEU  38  18.377  -5.712 -15.777
  267    HB2  LEU  38           HB2      LEU  38  19.622  -5.085 -13.973
  268    HB3  LEU  38           HB3      LEU  38  18.011  -4.506 -13.581
  269    HG   LEU  38           HG       LEU  38  19.402  -6.973 -12.411
  270   HD11  LEU  38          HD11      LEU  38  18.747  -4.229 -11.310
  271   HD12  LEU  38          HD12      LEU  38  19.216  -5.598 -10.297
  272   HD13  LEU  38          HD13      LEU  38  20.350  -4.991 -11.498
  273   HD21  LEU  38          HD21      LEU  38  16.961  -7.369 -12.401
  274   HD22  LEU  38          HD22      LEU  38  17.565  -7.055 -10.780
  275   HD23  LEU  38          HD23      LEU  38  16.709  -5.767 -11.656
  276    H    THR  39           H        THR  39  20.345  -6.805 -15.896
  277    HA   THR  39           HA       THR  39  20.507  -9.535 -14.734
  278    HB   THR  39           HB       THR  39  19.632  -9.721 -17.066
  279    HG1  THR  39           HG1      THR  39  21.402 -11.312 -17.491
  280   HG21  THR  39          HG21      THR  39  22.455  -8.921 -17.874
  281   HG22  THR  39          HG22      THR  39  21.170  -9.548 -18.927
  282   HG23  THR  39          HG23      THR  39  20.981  -7.963 -18.164
  283    H    ILE  40           H        ILE  40  22.734 -10.439 -14.931
  284    HA   ILE  40           HA       ILE  40  24.733  -8.291 -14.260
  285    HB   ILE  40           HB       ILE  40  24.225 -10.965 -12.931
  286   HG12  ILE  40          HG12      ILE  40  24.090  -8.193 -11.654
  287   HG13  ILE  40          HG13      ILE  40  22.675  -8.963 -12.358
  288   HG21  ILE  40          HG21      ILE  40  26.337  -8.921 -12.092
  289   HG22  ILE  40          HG22      ILE  40  26.070 -10.567 -11.462
  290   HG23  ILE  40          HG23      ILE  40  26.709 -10.355 -13.063
  291   HD11  ILE  40          HD11      ILE  40  24.308 -10.103 -10.075
  292   HD12  ILE  40          HD12      ILE  40  22.690  -9.383  -9.998
  293   HD13  ILE  40          HD13      ILE  40  22.917 -10.900 -10.866
  294    H    ASN  41           H        ASN  41  26.516  -8.372 -15.416
  295    HA   ASN  41           HA       ASN  41  27.246 -10.851 -16.909
  296    HB2  ASN  41           HB2      ASN  41  27.753  -7.999 -17.826
  297    HB3  ASN  41           HB3      ASN  41  27.855  -9.478 -18.768
  298   HD21  ASN  41          HD21      ASN  41  24.250  -7.542 -18.283
  299   HD22  ASN  41          HD22      ASN  41  25.635  -7.142 -17.272
  300    H    GLU  42           H        GLU  42  29.510 -11.423 -16.777
  301    HA   GLU  42           HA       GLU  42  31.267  -9.337 -15.604
  302    HB2  GLU  42           HB2      GLU  42  32.294 -10.796 -14.051
  303    HB3  GLU  42           HB3      GLU  42  30.580 -11.081 -13.903
  304    HG2  GLU  42           HG2      GLU  42  31.317 -13.229 -13.929
  305    HG3  GLU  42           HG3      GLU  42  31.065 -12.975 -15.665
  306    H    ARG  43           H        ARG  43  33.549  -9.586 -15.975
  307    HA   ARG  43           HA       ARG  43  34.204 -11.286 -18.291
  308    HB2  ARG  43           HB2      ARG  43  33.904  -8.715 -18.897
  309    HB3  ARG  43           HB3      ARG  43  35.492  -8.559 -18.155
  310    HG2  ARG  43           HG2      ARG  43  36.165  -9.032 -20.298
  311    HG3  ARG  43           HG3      ARG  43  36.052 -10.684 -19.703
  312    HD2  ARG  43           HD2      ARG  43  34.024  -9.138 -21.376
  313    HD3  ARG  43           HD3      ARG  43  34.962 -10.551 -21.864
  314    HE   ARG  43           HE       ARG  43  32.819 -10.618 -19.741
  315   HH11  ARG  43          HH11      ARG  43  34.025 -12.039 -22.716
  316   HH12  ARG  43          HH12      ARG  43  32.907 -13.369 -22.630
  317   HH21  ARG  43          HH21      ARG  43  31.593 -12.382 -19.575
  318   HH22  ARG  43          HH22      ARG  43  31.527 -13.551 -20.878
  319    HA   PRO  44           HA       PRO  44  37.187 -12.305 -15.198
  320    HB2  PRO  44           HB2      PRO  44  37.945 -14.753 -16.115
  321    HB3  PRO  44           HB3      PRO  44  36.319 -14.435 -15.457
  322    HG2  PRO  44           HG2      PRO  44  37.188 -14.533 -18.363
  323    HG3  PRO  44           HG3      PRO  44  35.778 -15.329 -17.596
  324    HD2  PRO  44           HD2      PRO  44  35.612 -12.915 -18.907
  325    HD3  PRO  44           HD3      PRO  44  34.562 -13.345 -17.535
  326    H    SER  45           H        SER  45  39.291 -11.728 -14.924
  327    HA   SER  45           HA       SER  45  41.260 -12.087 -17.083
  328    HB2  SER  45           HB2      SER  45  40.165  -9.853 -17.549
  329    HB3  SER  45           HB3      SER  45  40.825  -9.289 -16.002
  330    HG   SER  45           HG       SER  45  42.210 -10.179 -18.342
  331    H    ALA  46           H        ALA  46  42.989 -12.928 -16.181
  332    HA   ALA  46           HA       ALA  46  43.328 -13.137 -13.382
  333    HB1  ALA  46           HB1      ALA  46  45.295 -13.749 -15.634
  334    HB2  ALA  46           HB2      ALA  46  45.362 -14.397 -13.982
  335    HB3  ALA  46           HB3      ALA  46  44.014 -14.840 -15.044
  336    H    ARG  47           H        ARG  47  44.312 -10.543 -15.348
  337    HA   ARG  47           HA       ARG  47  46.514  -9.428 -13.940
  338    HB2  ARG  47           HB2      ARG  47  45.769  -7.313 -14.858
  339    HB3  ARG  47           HB3      ARG  47  45.523  -8.579 -16.056
  340    HG2  ARG  47           HG2      ARG  47  43.069  -8.687 -15.182
  341    HG3  ARG  47           HG3      ARG  47  43.408  -7.171 -14.358
  342    HD2  ARG  47           HD2      ARG  47  43.776  -7.652 -17.334
  343    HD3  ARG  47           HD3      ARG  47  42.328  -6.933 -16.621
  344    HE   ARG  47           HE       ARG  47  44.257  -5.289 -15.641
  345   HH11  ARG  47          HH11      ARG  47  43.671  -6.347 -18.963
  346   HH12  ARG  47          HH12      ARG  47  44.333  -4.906 -19.653
  347   HH21  ARG  47          HH21      ARG  47  45.084  -3.456 -16.574
  348   HH22  ARG  47          HH22      ARG  47  45.109  -3.282 -18.307
  349    H    ALA  48           H        ALA  48  43.131  -9.683 -12.923
  350    HA   ALA  48           HA       ALA  48  43.794  -8.608 -10.262
  351    HB1  ALA  48           HB1      ALA  48  42.033  -7.108 -12.247
  352    HB2  ALA  48           HB2      ALA  48  42.027  -6.790 -10.504
  353    HB3  ALA  48           HB3      ALA  48  43.503  -6.528 -11.444
  354    H    GLY  49           H        GLY  49  41.308 -10.201 -12.332
  355    HA2  GLY  49           HA2      GLY  49  39.987 -11.788 -10.651
  356    HA3  GLY  49           HA3      GLY  49  39.391 -10.238 -10.064
  357    H    SER  50           H        SER  50  37.560  -9.471 -10.975
  358    HA   SER  50           HA       SER  50  36.919 -10.131 -13.793
  359    HB2  SER  50           HB2      SER  50  34.523 -10.493 -13.120
  360    HB3  SER  50           HB3      SER  50  35.635 -11.802 -12.696
  361    HG   SER  50           HG       SER  50  34.330 -11.382 -10.944
  362    H    TRP  51           H        TRP  51  35.795  -8.620 -14.919
  363    HA   TRP  51           HA       TRP  51  34.994  -6.059 -13.616
  364    HB2  TRP  51           HB2      TRP  51  35.106  -7.120 -16.428
  365    HB3  TRP  51           HB3      TRP  51  33.797  -6.025 -16.045
  366    HD1  TRP  51           HD1      TRP  51  37.382  -6.003 -16.951
  367    HE1  TRP  51           HE1      TRP  51  38.315  -3.615 -16.904
  368    HE3  TRP  51           HE3      TRP  51  33.477  -3.675 -14.594
  369    HZ2  TRP  51           HZ2      TRP  51  37.424  -0.992 -16.045
  370    HZ3  TRP  51           HZ3      TRP  51  33.553  -1.221 -14.173
  371    HH2  TRP  51           HH2      TRP  51  35.500   0.121 -14.898
  372    H    ILE  52           H        ILE  52  32.934  -5.761 -12.861
  373    HA   ILE  52           HA       ILE  52  30.793  -7.721 -13.639
  374    HB   ILE  52           HB       ILE  52  30.918  -5.944 -11.168
  375   HG12  ILE  52          HG12      ILE  52  32.544  -7.716 -10.876
  376   HG13  ILE  52          HG13      ILE  52  31.144  -7.981  -9.848
  377   HG21  ILE  52          HG21      ILE  52  28.883  -8.035 -12.078
  378   HG22  ILE  52          HG22      ILE  52  28.950  -7.319 -10.454
  379   HG23  ILE  52          HG23      ILE  52  28.614  -6.291 -11.840
  380   HD11  ILE  52          HD11      ILE  52  31.545  -9.389 -12.512
  381   HD12  ILE  52          HD12      ILE  52  32.065 -10.053 -10.973
  382   HD13  ILE  52          HD13      ILE  52  30.333  -9.774 -11.275
  383    H    THR  53           H        THR  53  29.185  -6.948 -14.796
  384    HA   THR  53           HA       THR  53  28.704  -4.000 -15.008
  385    HB   THR  53           HB       THR  53  28.957  -5.955 -17.331
  386    HG1  THR  53           HG1      THR  53  30.804  -4.758 -17.808
  387   HG21  THR  53          HG21      THR  53  28.518  -2.937 -17.295
  388   HG22  THR  53          HG22      THR  53  28.783  -3.925 -18.742
  389   HG23  THR  53          HG23      THR  53  27.305  -4.140 -17.790
  390    H    ILE  54           H        ILE  54  26.650  -3.631 -14.453
  391    HA   ILE  54           HA       ILE  54  24.619  -5.781 -14.865
  392    HB   ILE  54           HB       ILE  54  24.770  -5.337 -12.620
  393   HG12  ILE  54          HG12      ILE  54  22.444  -5.535 -13.449
  394   HG13  ILE  54          HG13      ILE  54  22.654  -4.719 -11.912
  395   HG21  ILE  54          HG21      ILE  54  24.684  -2.376 -13.231
  396   HG22  ILE  54          HG22      ILE  54  24.434  -3.057 -11.603
  397   HG23  ILE  54          HG23      ILE  54  25.971  -3.313 -12.435
  398   HD11  ILE  54          HD11      ILE  54  21.896  -3.408 -14.551
  399   HD12  ILE  54          HD12      ILE  54  20.962  -3.520 -13.078
  400   HD13  ILE  54          HD13      ILE  54  22.395  -2.501 -13.108
  401    H    THR  55           H        THR  55  23.070  -5.591 -16.248
  402    HA   THR  55           HA       THR  55  22.705  -2.998 -17.673
  403    HB   THR  55           HB       THR  55  22.115  -4.429 -19.674
  404    HG1  THR  55           HG1      THR  55  22.556  -6.541 -19.629
  405   HG21  THR  55          HG21      THR  55  24.955  -4.670 -18.562
  406   HG22  THR  55          HG22      THR  55  24.479  -5.065 -20.226
  407   HG23  THR  55          HG23      THR  55  24.328  -3.408 -19.646
  408    H    VAL  56           H        VAL  56  20.671  -2.286 -18.063
  409    HA   VAL  56           HA       VAL  56  18.367  -3.859 -16.971
  410    HB   VAL  56           HB       VAL  56  18.822  -0.886 -17.240
  411   HG11  VAL  56          HG11      VAL  56  16.120  -2.290 -16.926
  412   HG12  VAL  56          HG12      VAL  56  16.423  -0.575 -16.571
  413   HG13  VAL  56          HG13      VAL  56  16.601  -1.163 -18.224
  414   HG21  VAL  56          HG21      VAL  56  19.377  -2.233 -15.150
  415   HG22  VAL  56          HG22      VAL  56  18.164  -0.958 -14.893
  416   HG23  VAL  56          HG23      VAL  56  17.659  -2.649 -15.026
  417    H    ASN  57           H        ASN  57  17.270  -4.882 -18.357
  418    HA   ASN  57           HA       ASN  57  16.597  -5.892 -20.250
  419    HB2  ASN  57           HB2      ASN  57  16.287  -3.072 -21.348
  420    HB3  ASN  57           HB3      ASN  57  15.639  -4.535 -22.070
  421   HD21  ASN  57          HD21      ASN  57  13.539  -2.769 -19.159
  422   HD22  ASN  57          HD22      ASN  57  14.980  -2.044 -19.863
  423    H    GLN  58           H        GLN  58  18.422  -3.253 -21.765
  424    HA   GLN  58           HA       GLN  58  20.476  -5.105 -22.822
  425    HB2  GLN  58           HB2      GLN  58  20.138  -4.311 -25.130
  426    HB3  GLN  58           HB3      GLN  58  18.740  -5.179 -24.506
  427    HG2  GLN  58           HG2      GLN  58  17.505  -3.103 -24.150
  428    HG3  GLN  58           HG3      GLN  58  18.917  -2.135 -24.568
  429   HE21  GLN  58          HE21      GLN  58  18.537  -2.674 -28.118
  430   HE22  GLN  58          HE22      GLN  58  19.716  -2.275 -26.877
  431    H    ASP  59           H        ASP  59  20.029  -2.445 -21.072
  432    HA   ASP  59           HA       ASP  59  22.190  -0.791 -22.348
  433    HB2  ASP  59           HB2      ASP  59  19.728  -0.028 -20.738
  434    HB3  ASP  59           HB3      ASP  59  21.052   1.079 -21.062
  435    H    VAL  60           H        VAL  60  24.014  -0.403 -21.163
  436    HA   VAL  60           HA       VAL  60  24.231  -1.514 -18.462
  437    HB   VAL  60           HB       VAL  60  26.136  -1.674 -19.936
  438   HG11  VAL  60          HG11      VAL  60  26.387   1.361 -19.814
  439   HG12  VAL  60          HG12      VAL  60  27.541   0.229 -20.541
  440   HG13  VAL  60          HG13      VAL  60  25.934   0.416 -21.249
  441   HG21  VAL  60          HG21      VAL  60  26.494  -1.559 -17.472
  442   HG22  VAL  60          HG22      VAL  60  27.874  -0.965 -18.418
  443   HG23  VAL  60          HG23      VAL  60  26.805   0.191 -17.621
  444    H    ILE  61           H        ILE  61  24.223  -0.565 -16.551
  445    HA   ILE  61           HA       ILE  61  23.908   2.417 -16.415
  446    HB   ILE  61           HB       ILE  61  22.413   1.954 -14.425
  447   HG12  ILE  61          HG12      ILE  61  21.730  -0.664 -15.771
  448   HG13  ILE  61          HG13      ILE  61  22.865  -0.573 -14.413
  449   HG21  ILE  61          HG21      ILE  61  21.296   1.305 -17.174
  450   HG22  ILE  61          HG22      ILE  61  20.417   2.029 -15.803
  451   HG23  ILE  61          HG23      ILE  61  21.704   2.937 -16.594
  452   HD11  ILE  61          HD11      ILE  61  20.000   0.464 -14.312
  453   HD12  ILE  61          HD12      ILE  61  20.559  -1.072 -13.667
  454   HD13  ILE  61          HD13      ILE  61  21.180   0.440 -12.985
  455    H    PHE  62           H        PHE  62  25.326  -0.466 -14.927
  456    HA   PHE  62           HA       PHE  62  27.145   1.324 -13.520
  457    HB2  PHE  62           HB2      PHE  62  25.498   1.216 -11.817
  458    HB3  PHE  62           HB3      PHE  62  25.235  -0.500 -12.024
  459    HD1  PHE  62           HD1      PHE  62  27.838   2.029 -11.047
  460    HD2  PHE  62           HD2      PHE  62  26.474  -2.040 -10.589
  461    HE1  PHE  62           HE1      PHE  62  29.636   1.601  -9.394
  462    HE2  PHE  62           HE2      PHE  62  28.314  -2.466  -8.954
  463    HZ   PHE  62           HZ       PHE  62  29.869  -0.643  -8.351
  464    H    GLN  63           H        GLN  63  29.088   0.398 -13.015
  465    HA   GLN  63           HA       GLN  63  29.521  -2.430 -13.261
  466    HB2  GLN  63           HB2      GLN  63  31.173  -2.372 -15.090
  467    HB3  GLN  63           HB3      GLN  63  29.552  -1.946 -15.625
  468    HG2  GLN  63           HG2      GLN  63  30.187   0.471 -15.592
  469    HG3  GLN  63           HG3      GLN  63  31.839   0.008 -15.171
  470   HE21  GLN  63          HE21      GLN  63  32.376  -1.520 -18.486
  471   HE22  GLN  63          HE22      GLN  63  32.624  -1.960 -16.807
  472    H    THR  64           H        THR  64  31.482  -3.147 -12.413
  473    HA   THR  64           HA       THR  64  33.469  -1.249 -11.361
  474    HB   THR  64           HB       THR  64  31.630  -1.108  -9.727
  475    HG1  THR  64           HG1      THR  64  32.977  -1.362  -7.975
  476   HG21  THR  64          HG21      THR  64  32.216  -4.030  -9.061
  477   HG22  THR  64          HG22      THR  64  31.055  -2.948  -8.263
  478   HG23  THR  64          HG23      THR  64  30.764  -3.472  -9.923
  479    H    PHE  65           H        PHE  65  35.196  -2.453 -10.101
  480    HA   PHE  65           HA       PHE  65  35.694  -5.080 -11.423
  481    HB2  PHE  65           HB2      PHE  65  37.288  -2.899 -11.444
  482    HB3  PHE  65           HB3      PHE  65  37.891  -3.673  -9.988
  483    HD1  PHE  65           HD1      PHE  65  37.997  -3.589 -13.568
  484    HD2  PHE  65           HD2      PHE  65  38.511  -6.226 -10.202
  485    HE1  PHE  65           HE1      PHE  65  39.223  -5.198 -15.009
  486    HE2  PHE  65           HE2      PHE  65  39.638  -7.867 -11.662
  487    HZ   PHE  65           HZ       PHE  65  40.000  -7.353 -14.089
  488    H    LEU  66           H        LEU  66  35.745  -6.909 -10.281
  489    HA   LEU  66           HA       LEU  66  35.700  -6.834  -7.298
  490    HB2  LEU  66           HB2      LEU  66  34.682  -8.792  -9.342
  491    HB3  LEU  66           HB3      LEU  66  35.125  -9.348  -7.737
  492    HG   LEU  66           HG       LEU  66  32.963  -7.320  -8.313
  493   HD11  LEU  66          HD11      LEU  66  32.843 -10.163  -7.183
  494   HD12  LEU  66          HD12      LEU  66  31.503  -9.131  -7.721
  495   HD13  LEU  66          HD13      LEU  66  32.635  -9.805  -8.894
  496   HD21  LEU  66          HD21      LEU  66  33.897  -6.848  -6.083
  497   HD22  LEU  66          HD22      LEU  66  32.368  -7.725  -5.897
  498   HD23  LEU  66          HD23      LEU  66  33.912  -8.578  -5.690
  499    H    PHE  67           H        PHE  67  37.149  -7.922  -6.114
  500    HA   PHE  67           HA       PHE  67  39.506  -9.155  -7.501
  501    HB2  PHE  67           HB2      PHE  67  39.501  -7.505  -4.964
  502    HB3  PHE  67           HB3      PHE  67  40.907  -8.198  -5.756
  503    HD1  PHE  67           HD1      PHE  67  38.335  -5.537  -5.870
  504    HD2  PHE  67           HD2      PHE  67  41.875  -7.125  -7.757
  505    HE1  PHE  67           HE1      PHE  67  38.590  -3.435  -7.160
  506    HE2  PHE  67           HE2      PHE  67  42.150  -4.994  -9.011
  507    HZ   PHE  67           HZ       PHE  67  40.500  -3.159  -8.733
  508    HA   PRO  68           HA       PRO  68  38.299 -12.610  -4.942
  509    HB2  PRO  68           HB2      PRO  68  40.111 -14.467  -5.733
  510    HB3  PRO  68           HB3      PRO  68  38.866 -13.816  -6.846
  511    HG2  PRO  68           HG2      PRO  68  41.739 -12.851  -6.528
  512    HG3  PRO  68           HG3      PRO  68  40.910 -13.342  -8.051
  513    HD2  PRO  68           HD2      PRO  68  41.086 -10.767  -7.300
  514    HD3  PRO  68           HD3      PRO  68  39.593 -11.416  -8.055
  515    H    LEU  69           H        LEU  69  41.609 -11.309  -4.738
  516    HA   LEU  69           HA       LEU  69  42.251 -12.804  -2.280
  517    HB2  LEU  69           HB2      LEU  69  43.779 -10.638  -3.781
  518    HB3  LEU  69           HB3      LEU  69  44.398 -11.574  -2.427
  519    HG   LEU  69           HG       LEU  69  43.653 -12.706  -5.154
  520   HD11  LEU  69          HD11      LEU  69  46.353 -12.307  -3.805
  521   HD12  LEU  69          HD12      LEU  69  46.068 -13.049  -5.397
  522   HD13  LEU  69          HD13      LEU  69  45.703 -11.333  -5.143
  523   HD21  LEU  69          HD21      LEU  69  43.275 -14.417  -3.437
  524   HD22  LEU  69          HD22      LEU  69  44.747 -14.787  -4.340
  525   HD23  LEU  69          HD23      LEU  69  44.867 -14.076  -2.713
  526    H    LYS  70           H        LYS  70  40.620  -9.932  -2.947
  527    HA   LYS  70           HA       LYS  70  41.212  -8.701  -0.270
  528    HB2  LYS  70           HB2      LYS  70  39.930  -7.534  -2.770
  529    HB3  LYS  70           HB3      LYS  70  40.056  -6.689  -1.223
  530    HG2  LYS  70           HG2      LYS  70  42.521  -6.858  -1.302
  531    HG3  LYS  70           HG3      LYS  70  42.422  -7.670  -2.880
  532    HD2  LYS  70           HD2      LYS  70  41.397  -5.679  -3.897
  533    HD3  LYS  70           HD3      LYS  70  41.247  -4.910  -2.315
  534    HE2  LYS  70           HE2      LYS  70  43.107  -3.890  -3.383
  535    HE3  LYS  70           HE3      LYS  70  43.726  -4.890  -2.070
  536    HZ1  LYS  70           HZ1      LYS  70  43.710  -5.693  -4.948
  537    HZ2  LYS  70           HZ2      LYS  70  45.017  -5.152  -4.139
  538    HZ3  LYS  70           HZ3      LYS  70  44.357  -6.577  -3.724
  539    H    ARG  71           H        ARG  71  39.423  -7.790   0.928
  540    HA   ARG  71           HA       ARG  71  37.049  -9.611   0.905
  541    HB2  ARG  71           HB2      ARG  71  38.307  -8.031   3.175
  542    HB3  ARG  71           HB3      ARG  71  36.843  -9.017   3.304
  543    HG2  ARG  71           HG2      ARG  71  38.124 -11.016   2.544
  544    HG3  ARG  71           HG3      ARG  71  39.604 -10.051   2.544
  545    HD2  ARG  71           HD2      ARG  71  39.320  -9.583   4.946
  546    HD3  ARG  71           HD3      ARG  71  37.830 -10.512   4.981
  547    HE   ARG  71           HE       ARG  71  40.588 -11.528   4.867
  548   HH11  ARG  71          HH11      ARG  71  37.225 -12.484   4.498
  549   HH12  ARG  71          HH12      ARG  71  37.597 -14.174   4.705
  550   HH21  ARG  71          HH21      ARG  71  40.978 -13.691   5.123
  551   HH22  ARG  71          HH22      ARG  71  39.669 -14.832   5.052
  552    H    ASP  72           H        ASP  72  37.402  -6.900  -0.603
  553    HA   ASP  72           HA       ASP  72  35.226  -5.287   0.422
  554    HB2  ASP  72           HB2      ASP  72  35.437  -3.964  -1.504
  555    HB3  ASP  72           HB3      ASP  72  37.056  -4.412  -1.026
  556    H    PHE  73           H        PHE  73  35.209  -8.211  -1.462
  557    HA   PHE  73           HA       PHE  73  33.247  -7.939  -3.299
  558    HB2  PHE  73           HB2      PHE  73  34.421  -9.972  -3.098
  559    HB3  PHE  73           HB3      PHE  73  33.879 -10.265  -1.453
  560    HD1  PHE  73           HD1      PHE  73  33.146 -10.720  -4.970
  561    HD2  PHE  73           HD2      PHE  73  31.473 -10.958  -1.002
  562    HE1  PHE  73           HE1      PHE  73  31.227 -12.022  -5.859
  563    HE2  PHE  73           HE2      PHE  73  29.558 -12.254  -1.888
  564    HZ   PHE  73           HZ       PHE  73  29.411 -12.752  -4.299
  565    H    GLU  74           H        GLU  74  32.431  -8.658   0.145
  566    HA   GLU  74           HA       GLU  74  29.594  -8.713  -0.249
  567    HB2  GLU  74           HB2      GLU  74  31.052  -9.481   1.763
  568    HB3  GLU  74           HB3      GLU  74  30.974  -7.795   2.297
  569    HG2  GLU  74           HG2      GLU  74  28.472  -7.936   2.260
  570    HG3  GLU  74           HG3      GLU  74  28.594  -9.621   1.731
  571    H    LYS  75           H        LYS  75  31.797  -6.073   0.541
  572    HA   LYS  75           HA       LYS  75  29.773  -4.038   0.983
  573    HB2  LYS  75           HB2      LYS  75  32.779  -3.731   0.373
  574    HB3  LYS  75           HB3      LYS  75  31.668  -2.465   0.890
  575    HG2  LYS  75           HG2      LYS  75  32.471  -2.965   2.938
  576    HG3  LYS  75           HG3      LYS  75  31.170  -4.154   2.899
  577    HD2  LYS  75           HD2      LYS  75  33.072  -5.726   1.857
  578    HD3  LYS  75           HD3      LYS  75  34.167  -4.547   2.566
  579    HE2  LYS  75           HE2      LYS  75  31.962  -6.059   4.047
  580    HE3  LYS  75           HE3      LYS  75  33.650  -6.571   3.986
  581    HZ1  LYS  75           HZ1      LYS  75  32.697  -4.021   5.213
  582    HZ2  LYS  75           HZ2      LYS  75  33.217  -5.333   6.026
  583    HZ3  LYS  75           HZ3      LYS  75  34.267  -4.482   5.117
  584    H    THR  76           H        THR  76  31.864  -4.859  -1.780
  585    HA   THR  76           HA       THR  76  30.799  -3.008  -3.658
  586    HB   THR  76           HB       THR  76  32.189  -5.692  -3.963
  587    HG1  THR  76           HG1      THR  76  33.935  -4.474  -3.943
  588   HG21  THR  76          HG21      THR  76  31.449  -3.611  -6.072
  589   HG22  THR  76          HG22      THR  76  32.744  -4.825  -6.289
  590   HG23  THR  76          HG23      THR  76  31.062  -5.343  -6.082
  591    H    VAL  77           H        VAL  77  29.661  -6.337  -2.840
  592    HA   VAL  77           HA       VAL  77  27.538  -6.410  -4.789
  593    HB   VAL  77           HB       VAL  77  27.910  -7.809  -2.121
  594   HG11  VAL  77          HG11      VAL  77  25.610  -8.134  -4.093
  595   HG12  VAL  77          HG12      VAL  77  25.990  -9.260  -2.771
  596   HG13  VAL  77          HG13      VAL  77  25.476  -7.629  -2.391
  597   HG21  VAL  77          HG21      VAL  77  29.293  -8.487  -4.166
  598   HG22  VAL  77          HG22      VAL  77  28.303  -9.762  -3.456
  599   HG23  VAL  77          HG23      VAL  77  27.764  -8.949  -4.940
  600    H    VAL  78           H        VAL  78  27.454  -5.402  -1.305
  601    HA   VAL  78           HA       VAL  78  24.700  -4.619  -1.379
  602    HB   VAL  78           HB       VAL  78  26.975  -3.776   0.453
  603   HG11  VAL  78          HG11      VAL  78  23.982  -3.254   0.775
  604   HG12  VAL  78          HG12      VAL  78  25.198  -3.062   2.055
  605   HG13  VAL  78          HG13      VAL  78  25.262  -2.026   0.632
  606   HG21  VAL  78          HG21      VAL  78  26.297  -6.191   0.511
  607   HG22  VAL  78          HG22      VAL  78  25.932  -5.348   2.017
  608   HG23  VAL  78          HG23      VAL  78  24.630  -5.695   0.856
  609    H    ALA  79           H        ALA  79  27.661  -2.765  -2.058
  610    HA   ALA  79           HA       ALA  79  26.336  -0.226  -2.358
  611    HB1  ALA  79           HB1      ALA  79  28.992  -1.280  -3.421
  612    HB2  ALA  79           HB2      ALA  79  28.529   0.438  -3.278
  613    HB3  ALA  79           HB3      ALA  79  28.730  -0.554  -1.819
  614    H    ALA  80           H        ALA  80  26.996  -2.899  -4.686
  615    HA   ALA  80           HA       ALA  80  26.273  -1.424  -7.043
  616    HB1  ALA  80           HB1      ALA  80  26.056  -4.416  -6.461
  617    HB2  ALA  80           HB2      ALA  80  26.078  -3.642  -8.059
  618    HB3  ALA  80           HB3      ALA  80  27.522  -3.585  -7.023
  619    H    LEU  81           H        LEU  81  24.301  -2.908  -4.517
  620    HA   LEU  81           HA       LEU  81  21.819  -3.079  -5.988
  621    HB2  LEU  81           HB2      LEU  81  22.081  -2.452  -3.023
  622    HB3  LEU  81           HB3      LEU  81  20.732  -3.210  -3.843
  623    HG   LEU  81           HG       LEU  81  23.464  -4.469  -3.480
  624   HD11  LEU  81          HD11      LEU  81  20.907  -4.962  -1.939
  625   HD12  LEU  81          HD12      LEU  81  22.456  -5.824  -1.749
  626   HD13  LEU  81          HD13      LEU  81  22.344  -4.105  -1.333
  627   HD21  LEU  81          HD21      LEU  81  22.205  -5.427  -5.388
  628   HD22  LEU  81          HD22      LEU  81  22.393  -6.583  -4.062
  629   HD23  LEU  81          HD23      LEU  81  20.842  -5.766  -4.290
  630    H    ILE  82           H        ILE  82  23.179  -0.547  -3.880
  631    HA   ILE  82           HA       ILE  82  21.103   1.409  -4.321
  632    HB   ILE  82           HB       ILE  82  23.976   1.772  -3.366
  633   HG12  ILE  82          HG12      ILE  82  21.407   1.450  -1.739
  634   HG13  ILE  82          HG13      ILE  82  22.604   0.179  -1.971
  635   HG21  ILE  82          HG21      ILE  82  21.549   3.616  -3.093
  636   HG22  ILE  82          HG22      ILE  82  23.153   3.903  -2.383
  637   HG23  ILE  82          HG23      ILE  82  22.967   3.913  -4.125
  638   HD11  ILE  82          HD11      ILE  82  23.034   2.769  -0.451
  639   HD12  ILE  82          HD12      ILE  82  22.982   1.119   0.178
  640   HD13  ILE  82          HD13      ILE  82  24.330   1.615  -0.863
  641    H    GLN  83           H        GLN  83  24.378   0.998  -5.771
  642    HA   GLN  83           HA       GLN  83  24.164   3.316  -7.436
  643    HB2  GLN  83           HB2      GLN  83  25.920   0.831  -7.614
  644    HB3  GLN  83           HB3      GLN  83  26.117   2.242  -8.662
  645    HG2  GLN  83           HG2      GLN  83  26.552   3.703  -6.803
  646    HG3  GLN  83           HG3      GLN  83  26.179   2.463  -5.617
  647   HE21  GLN  83          HE21      GLN  83  29.291   0.699  -6.069
  648   HE22  GLN  83          HE22      GLN  83  27.568   0.432  -5.736
  649    H    THR  84           H        THR  84  23.004   0.027  -7.959
  650    HA   THR  84           HA       THR  84  22.373   0.272 -10.763
  651    HB   THR  84           HB       THR  84  21.080  -1.396  -8.572
  652    HG1  THR  84           HG1      THR  84  23.160  -2.018  -8.933
  653   HG21  THR  84          HG21      THR  84  20.888  -1.674 -11.579
  654   HG22  THR  84          HG22      THR  84  20.284  -2.821 -10.371
  655   HG23  THR  84          HG23      THR  84  19.543  -1.216 -10.518
  656    H    GLU  85           H        GLU  85  20.402   1.052  -7.773
  657    HA   GLU  85           HA       GLU  85  18.237   2.003  -9.514
  658    HB2  GLU  85           HB2      GLU  85  17.067   2.648  -7.584
  659    HB3  GLU  85           HB3      GLU  85  17.685   1.020  -7.348
  660    HG2  GLU  85           HG2      GLU  85  19.285   1.732  -5.752
  661    HG3  GLU  85           HG3      GLU  85  19.152   3.431  -6.214
  662    H    GLU  86           H        GLU  86  20.990   3.574  -7.874
  663    HA   GLU  86           HA       GLU  86  20.131   6.245  -8.160
  664    HB2  GLU  86           HB2      GLU  86  22.870   4.979  -8.139
  665    HB3  GLU  86           HB3      GLU  86  22.661   6.727  -8.250
  666    HG2  GLU  86           HG2      GLU  86  21.223   5.196  -6.078
  667    HG3  GLU  86           HG3      GLU  86  22.932   5.584  -5.900
  668    H    ALA  87           H        ALA  87  21.459   4.136 -10.679
  669    HA   ALA  87           HA       ALA  87  21.761   6.157 -12.714
  670    HB1  ALA  87           HB1      ALA  87  21.039   3.192 -12.961
  671    HB2  ALA  87           HB2      ALA  87  21.681   4.234 -14.242
  672    HB3  ALA  87           HB3      ALA  87  22.696   3.844 -12.836
  673    H    LEU  88           H        LEU  88  18.987   4.225 -11.594
  674    HA   LEU  88           HA       LEU  88  17.239   5.126 -13.786
  675    HB2  LEU  88           HB2      LEU  88  16.652   3.351 -11.397
  676    HB3  LEU  88           HB3      LEU  88  15.653   3.527 -12.839
  677    HG   LEU  88           HG       LEU  88  18.400   2.210 -12.635
  678   HD11  LEU  88          HD11      LEU  88  15.662   1.108 -13.338
  679   HD12  LEU  88          HD12      LEU  88  17.182   0.192 -13.181
  680   HD13  LEU  88          HD13      LEU  88  16.466   0.955 -11.754
  681   HD21  LEU  88          HD21      LEU  88  18.334   3.256 -14.796
  682   HD22  LEU  88          HD22      LEU  88  17.980   1.540 -15.026
  683   HD23  LEU  88          HD23      LEU  88  16.648   2.714 -15.070
  684    H    ASN  89           H        ASN  89  17.882   5.964 -10.507
  685    HA   ASN  89           HA       ASN  89  15.481   7.200  -9.733
  686    HB2  ASN  89           HB2      ASN  89  18.324   7.197  -8.856
  687    HB3  ASN  89           HB3      ASN  89  17.441   8.593  -8.342
  688   HD21  ASN  89          HD21      ASN  89  16.824   5.178  -6.412
  689   HD22  ASN  89          HD22      ASN  89  17.884   5.300  -7.822
  690    H    ARG  90           H        ARG  90  18.007   8.536 -11.803
  691    HA   ARG  90           HA       ARG  90  16.474  11.102 -12.014
  692    HB2  ARG  90           HB2      ARG  90  18.950  10.984 -11.502
  693    HB3  ARG  90           HB3      ARG  90  19.211  10.457 -13.170
  694    HG2  ARG  90           HG2      ARG  90  18.300  12.588 -14.006
  695    HG3  ARG  90           HG3      ARG  90  17.796  13.047 -12.366
  696    HD2  ARG  90           HD2      ARG  90  20.169  13.051 -11.652
  697    HD3  ARG  90           HD3      ARG  90  20.663  12.635 -13.310
  698    HE   ARG  90           HE       ARG  90  19.062  14.938 -13.516
  699   HH11  ARG  90          HH11      ARG  90  22.147  14.180 -12.039
  700   HH12  ARG  90          HH12      ARG  90  22.718  15.821 -12.161
  701   HH21  ARG  90          HH21      ARG  90  19.843  17.015 -13.642
  702   HH22  ARG  90          HH22      ARG  90  21.437  17.386 -13.055
  703    H    ARG  91           H        ARG  91  16.405   8.180 -13.535
  704    HA   ARG  91           HA       ARG  91  15.802   9.182 -16.296
  705    HB2  ARG  91           HB2      ARG  91  15.863   6.385 -15.097
  706    HB3  ARG  91           HB3      ARG  91  15.412   6.734 -16.766
  707    HG2  ARG  91           HG2      ARG  91  17.623   7.552 -17.291
  708    HG3  ARG  91           HG3      ARG  91  18.122   7.461 -15.605
  709    HD2  ARG  91           HD2      ARG  91  18.782   5.283 -15.934
  710    HD3  ARG  91           HD3      ARG  91  17.118   4.867 -16.196
  711    HE   ARG  91           HE       ARG  91  17.460   4.747 -18.486
  712   HH11  ARG  91          HH11      ARG  91  20.276   6.382 -17.160
  713   HH12  ARG  91          HH12      ARG  91  21.166   6.235 -18.649
  714   HH21  ARG  91          HH21      ARG  91  18.643   4.627 -20.351
  715   HH22  ARG  91          HH22      ARG  91  20.253   5.274 -20.413
  716    H    GLN  92           H        GLN  92  14.199   7.312 -13.737
  717    HA   GLN  92           HA       GLN  92  11.519   8.262 -14.686
  718    HB2  GLN  92           HB2      GLN  92  10.715   5.918 -14.607
  719    HB3  GLN  92           HB3      GLN  92  11.799   6.301 -15.943
  720    HG2  GLN  92           HG2      GLN  92  13.627   5.078 -14.949
  721    HG3  GLN  92           HG3      GLN  92  12.774   4.888 -13.418
  722   HE21  GLN  92          HE21      GLN  92  10.629   2.255 -14.664
  723   HE22  GLN  92          HE22      GLN  92  10.695   3.539 -13.468
  724    H    ILE  93           H        ILE  93  13.255   6.624 -12.006
  725    HA   ILE  93           HA       ILE  93  10.869   6.404 -10.414
  726    HB   ILE  93           HB       ILE  93  13.617   6.547  -9.169
  727   HG12  ILE  93          HG12      ILE  93  12.372   4.143 -10.583
  728   HG13  ILE  93          HG13      ILE  93  13.838   4.991 -11.081
  729   HG21  ILE  93          HG21      ILE  93  11.112   4.965  -8.479
  730   HG22  ILE  93          HG22      ILE  93  12.613   5.027  -7.527
  731   HG23  ILE  93          HG23      ILE  93  11.630   6.466  -7.675
  732   HD11  ILE  93          HD11      ILE  93  13.542   3.281  -8.599
  733   HD12  ILE  93          HD12      ILE  93  14.513   2.970 -10.040
  734   HD13  ILE  93          HD13      ILE  93  14.958   4.307  -8.960
  735    H    ASN  94           H        ASN  94  12.925   9.110 -11.033
  736    HA   ASN  94           HA       ASN  94  12.269  10.876  -8.944
  737    HB2  ASN  94           HB2      ASN  94  13.589  11.029 -11.469
  738    HB3  ASN  94           HB3      ASN  94  12.278  12.177 -11.598
  739   HD21  ASN  94          HD21      ASN  94  15.390  12.882  -9.031
  740   HD22  ASN  94          HD22      ASN  94  15.155  11.286  -9.757
  741    H    GLN  95           H        GLN  95  10.290   9.905 -11.747
  742    HA   GLN  95           HA       GLN  95   8.184  11.862 -11.296
  743    HB2  GLN  95           HB2      GLN  95   8.130   9.246 -12.864
  744    HB3  GLN  95           HB3      GLN  95   6.927  10.535 -12.927
  745    HG2  GLN  95           HG2      GLN  95   8.619  12.086 -13.872
  746    HG3  GLN  95           HG3      GLN  95   9.844  10.821 -13.783
  747   HE21  GLN  95          HE21      GLN  95   9.011  10.096 -17.160
  748   HE22  GLN  95          HE22      GLN  95  10.249  10.673 -16.057
  749    H    ALA  96           H        ALA  96   8.693   8.423 -10.482
  750    HA   ALA  96           HA       ALA  96   6.130   7.973  -9.293
  751    HB1  ALA  96           HB1      ALA  96   8.781   6.510  -8.907
  752    HB2  ALA  96           HB2      ALA  96   7.169   5.889  -8.506
  753    HB3  ALA  96           HB3      ALA  96   7.593   6.201 -10.199
  754    H    LEU  97           H        LEU  97   9.325   8.769  -7.771
  755    HA   LEU  97           HA       LEU  97   8.258   8.736  -5.110
  756    HB2  LEU  97           HB2      LEU  97  10.339   9.590  -4.390
  757    HB3  LEU  97           HB3      LEU  97  10.582   8.409  -5.666
  758    HG   LEU  97           HG       LEU  97  10.776  10.530  -7.220
  759   HD11  LEU  97          HD11      LEU  97  11.620  11.690  -4.525
  760   HD12  LEU  97          HD12      LEU  97  11.888  12.437  -6.114
  761   HD13  LEU  97          HD13      LEU  97  10.252  12.263  -5.490
  762   HD21  LEU  97          HD21      LEU  97  12.587   8.920  -6.806
  763   HD22  LEU  97          HD22      LEU  97  13.227  10.570  -6.780
  764   HD23  LEU  97          HD23      LEU  97  12.956   9.704  -5.255
  765    H    LEU  98           H        LEU  98   8.349  11.280  -7.496
  766    HA   LEU  98           HA       LEU  98   7.428  13.411  -5.729
  767    HB2  LEU  98           HB2      LEU  98   8.732  13.908  -7.685
  768    HB3  LEU  98           HB3      LEU  98   7.573  13.134  -8.761
  769    HG   LEU  98           HG       LEU  98   6.444  15.271  -7.017
  770   HD11  LEU  98          HD11      LEU  98   8.356  15.956  -9.294
  771   HD12  LEU  98          HD12      LEU  98   7.308  17.110  -8.434
  772   HD13  LEU  98          HD13      LEU  98   8.616  16.293  -7.567
  773   HD21  LEU  98          HD21      LEU  98   5.097  14.193  -8.806
  774   HD22  LEU  98          HD22      LEU  98   5.294  15.923  -9.095
  775   HD23  LEU  98          HD23      LEU  98   6.263  14.755 -10.020
  776    H    SER  99           H        SER  99   5.830  11.205  -8.073
  777    HA   SER  99           HA       SER  99   3.189  12.166  -7.652
  778    HB2  SER  99           HB2      SER  99   3.984  10.781  -9.558
  779    HB3  SER  99           HB3      SER  99   4.074   9.377  -8.473
  780    HG   SER  99           HG       SER  99   2.077   9.507  -9.679
  781    H    THR 100           H        THR 100   5.196  10.189  -5.676
  782    HA   THR 100           HA       THR 100   2.962   9.268  -3.935
  783    HB   THR 100           HB       THR 100   5.856   8.439  -3.637
  784    HG1  THR 100           HG1      THR 100   5.241   7.876  -5.709
  785   HG21  THR 100          HG21      THR 100   3.206   7.085  -2.914
  786   HG22  THR 100          HG22      THR 100   4.820   6.365  -2.719
  787   HG23  THR 100          HG23      THR 100   4.363   7.769  -1.757
  788    H    GLY 101           H        GLY 101   3.578  12.047  -4.040
  789    HA2  GLY 101           HA2      GLY 101   5.127  12.892  -1.746
  790    HA3  GLY 101           HA3      GLY 101   4.112  13.896  -2.779
  791    H    ASP 102           H        ASP 102   3.208  11.068  -0.779
  792    HA   ASP 102           HA       ASP 102   0.805  12.337   0.213
  793    HB2  ASP 102           HB2      ASP 102   2.175   9.741   1.001
  794    HB3  ASP 102           HB3      ASP 102   0.590  10.260   1.564
  795    H    LEU 103           H        LEU 103   0.176  12.394   2.487
  796    HA   LEU 103           HA       LEU 103   1.984  13.996   4.029
  797    HB2  LEU 103           HB2      LEU 103   0.215  14.508   5.351
  798    HB3  LEU 103           HB3      LEU 103  -0.595  14.108   3.844
  799    HG   LEU 103           HG       LEU 103  -0.355  12.278   6.280
  800   HD11  LEU 103          HD11      LEU 103  -2.735  13.850   5.220
  801   HD12  LEU 103          HD12      LEU 103  -2.740  12.733   6.603
  802   HD13  LEU 103          HD13      LEU 103  -1.798  14.229   6.682
  803   HD21  LEU 103          HD21      LEU 103  -0.596  10.957   4.210
  804   HD22  LEU 103          HD22      LEU 103  -2.081  10.902   5.157
  805   HD23  LEU 103          HD23      LEU 103  -1.991  11.950   3.723
  806    H    ALA 104           H        ALA 104   2.667  13.698   6.162
  807    HA   ALA 104           HA       ALA 104   2.692  11.031   7.393
  808    HB1  ALA 104           HB1      ALA 104   5.283  12.418   6.553
  809    HB2  ALA 104           HB2      ALA 104   5.158  10.891   7.460
  810    HB3  ALA 104           HB3      ALA 104   4.589  10.973   5.785
  811    H    HIS 105           H        HIS 105   1.591  13.681   8.089
  812    HA   HIS 105           HA       HIS 105   3.444  14.917  10.007
  813    HB2  HIS 105           HB2      HIS 105   2.160  16.217   8.349
  814    HB3  HIS 105           HB3      HIS 105   0.650  15.697   9.098
  815    HD2  HIS 105           HD2      HIS 105   3.876  17.687  10.073
  816    HE1  HIS 105           HE1      HIS 105   0.635  19.309  12.326
  817    HE2  HIS 105           HE2      HIS 105   3.113  19.540  11.788
  818    H    ASP 106           H        ASP 106   0.425  13.083  10.234
  819    HA   ASP 106           HA       ASP 106   0.524  13.259  13.215
  820    HB2  ASP 106           HB2      ASP 106  -1.157  14.772  12.104
  821    HB3  ASP 106           HB3      ASP 106  -1.965  13.333  11.482
  822    H    GLU 107           H        GLU 107   1.550  11.156  11.421
  823    HA   GLU 107           HA       GLU 107  -0.271   8.891  11.472
  824    HB2  GLU 107           HB2      GLU 107   2.710   9.113  10.915
  825    HB3  GLU 107           HB3      GLU 107   1.768   7.642  10.714
  826    HG2  GLU 107           HG2      GLU 107   1.306  10.260   9.210
  827    HG3  GLU 107           HG3      GLU 107   2.131   8.845   8.578
  828    H    PHE 108           H        PHE 108   2.201  10.028  13.677
  829    HA   PHE 108           HA       PHE 108   1.581   7.891  15.636
  830    HB2  PHE 108           HB2      PHE 108   4.375   8.636  14.691
  831    HB3  PHE 108           HB3      PHE 108   4.027   7.680  16.119
  832    HD1  PHE 108           HD1      PHE 108   3.150   5.375  15.952
  833    HD2  PHE 108           HD2      PHE 108   4.140   7.666  12.436
  834    HE1  PHE 108           HE1      PHE 108   3.124   3.294  14.586
  835    HE2  PHE 108           HE2      PHE 108   4.118   5.586  11.070
  836    HZ   PHE 108           HZ       PHE 108   3.619   3.396  12.148
  Start of MODEL   10
    1    H1   ALA   1           H1       ALA   1  -4.641  -7.686  -4.764
    2    H2   ALA   1           H2       ALA   1  -4.717  -7.075  -3.248
    3    H3   ALA   1           H3       ALA   1  -4.434  -8.671  -3.471
    4    HA   ALA   1           HA       ALA   1  -2.403  -7.552  -2.846
    5    HB1  ALA   1           HB1      ALA   1  -2.370  -8.521  -5.749
    6    HB2  ALA   1           HB2      ALA   1  -0.965  -8.386  -4.674
    7    HB3  ALA   1           HB3      ALA   1  -2.242  -9.552  -4.307
    8    H    VAL   2           H        VAL   2  -0.622  -6.117  -3.540
    9    HA   VAL   2           HA       VAL   2  -1.390  -3.925  -5.416
   10    HB   VAL   2           HB       VAL   2  -2.065  -3.232  -3.162
   11   HG11  VAL   2          HG11      VAL   2   0.891  -3.238  -2.426
   12   HG12  VAL   2          HG12      VAL   2  -0.453  -2.633  -1.447
   13   HG13  VAL   2          HG13      VAL   2  -0.336  -4.361  -1.789
   14   HG21  VAL   2          HG21      VAL   2  -1.408  -1.565  -4.867
   15   HG22  VAL   2          HG22      VAL   2  -1.103  -1.018  -3.210
   16   HG23  VAL   2          HG23      VAL   2   0.249  -1.568  -4.218
   17    H    GLU   3           H        GLU   3   1.261  -5.570  -3.672
   18    HA   GLU   3           HA       GLU   3   3.058  -4.937  -5.950
   19    HB2  GLU   3           HB2      GLU   3   3.426  -3.208  -4.205
   20    HB3  GLU   3           HB3      GLU   3   3.763  -4.472  -3.020
   21    HG2  GLU   3           HG2      GLU   3   5.715  -5.214  -4.387
   22    HG3  GLU   3           HG3      GLU   3   5.350  -3.962  -5.577
   23    H    VAL   4           H        VAL   4   3.967  -6.776  -6.655
   24    HA   VAL   4           HA       VAL   4   4.640  -8.997  -4.802
   25    HB   VAL   4           HB       VAL   4   3.026  -9.420  -7.353
   26   HG11  VAL   4          HG11      VAL   4   3.842 -11.355  -5.133
   27   HG12  VAL   4          HG12      VAL   4   2.763 -11.744  -6.486
   28   HG13  VAL   4          HG13      VAL   4   4.446 -11.368  -6.808
   29   HG21  VAL   4          HG21      VAL   4   1.504  -8.453  -5.708
   30   HG22  VAL   4          HG22      VAL   4   1.164 -10.169  -5.893
   31   HG23  VAL   4          HG23      VAL   4   2.067  -9.605  -4.471
   32    H    GLU   5           H        GLU   5   6.324 -10.316  -5.590
   33    HA   GLU   5           HA       GLU   5   8.196  -9.092  -7.415
   34    HB2  GLU   5           HB2      GLU   5   9.661 -10.953  -6.787
   35    HB3  GLU   5           HB3      GLU   5   8.964 -10.120  -5.406
   36    HG2  GLU   5           HG2      GLU   5   7.321 -11.934  -5.081
   37    HG3  GLU   5           HG3      GLU   5   7.939 -12.782  -6.492
   38    H    VAL   6           H        VAL   6   6.006  -9.483  -8.940
   39    HA   VAL   6           HA       VAL   6   5.992 -11.913 -10.494
   40    HB   VAL   6           HB       VAL   6   4.676  -9.212 -10.821
   41   HG11  VAL   6          HG11      VAL   6   4.401 -11.615 -12.686
   42   HG12  VAL   6          HG12      VAL   6   3.310 -10.213 -12.651
   43   HG13  VAL   6          HG13      VAL   6   4.993  -9.996 -13.131
   44   HG21  VAL   6          HG21      VAL   6   3.838 -10.773  -9.078
   45   HG22  VAL   6          HG22      VAL   6   2.651 -10.496 -10.357
   46   HG23  VAL   6          HG23      VAL   6   3.580 -12.012 -10.319
   47    HA   PRO   7           HA       PRO   7   8.456  -9.787 -13.891
   48    HB2  PRO   7           HB2      PRO   7   9.531  -7.332 -13.792
   49    HB3  PRO   7           HB3      PRO   7   7.785  -7.542 -14.064
   50    HG2  PRO   7           HG2      PRO   7   9.165  -7.018 -11.413
   51    HG3  PRO   7           HG3      PRO   7   7.788  -6.110 -12.126
   52    HD2  PRO   7           HD2      PRO   7   7.407  -8.104 -10.315
   53    HD3  PRO   7           HD3      PRO   7   6.281  -7.870 -11.687
   54    H    GLY   8           H        GLY   8  10.719  -9.456 -14.433
   55    HA2  GLY   8           HA2      GLY   8  12.985  -8.932 -13.219
   56    HA3  GLY   8           HA3      GLY   8  12.625 -10.403 -12.326
   57    H    LEU   9           H        LEU   9  14.827  -9.684 -14.257
   58    HA   LEU   9           HA       LEU   9  14.800 -12.251 -15.668
   59    HB2  LEU   9           HB2      LEU   9  15.416 -11.341 -17.863
   60    HB3  LEU   9           HB3      LEU   9  13.789 -10.998 -17.332
   61    HG   LEU   9           HG       LEU   9  14.506  -8.650 -16.761
   62   HD11  LEU   9          HD11      LEU   9  16.980  -9.403 -18.369
   63   HD12  LEU   9          HD12      LEU   9  16.492  -7.745 -17.954
   64   HD13  LEU   9          HD13      LEU   9  16.942  -8.879 -16.677
   65   HD21  LEU   9          HD21      LEU   9  13.271  -9.218 -18.807
   66   HD22  LEU   9          HD22      LEU   9  14.421  -7.906 -19.107
   67   HD23  LEU   9          HD23      LEU   9  14.800  -9.556 -19.646
   68    H    LEU  10           H        LEU  10  16.224 -11.496 -13.385
   69    HA   LEU  10           HA       LEU  10  19.004 -10.969 -13.960
   70    HB2  LEU  10           HB2      LEU  10  17.587 -12.350 -11.661
   71    HB3  LEU  10           HB3      LEU  10  19.322 -12.292 -11.752
   72    HG   LEU  10           HG       LEU  10  17.838  -9.687 -11.985
   73   HD11  LEU  10          HD11      LEU  10  18.352 -11.151  -9.362
   74   HD12  LEU  10          HD12      LEU  10  17.839  -9.454  -9.514
   75   HD13  LEU  10          HD13      LEU  10  16.763 -10.753 -10.053
   76   HD21  LEU  10          HD21      LEU  10  20.339  -9.782 -12.175
   77   HD22  LEU  10          HD22      LEU  10  19.798  -8.813 -10.791
   78   HD23  LEU  10          HD23      LEU  10  20.408 -10.456 -10.521
   79    H    THR  11           H        THR  11  20.259 -12.150 -15.177
   80    HA   THR  11           HA       THR  11  20.004 -15.123 -15.143
   81    HB   THR  11           HB       THR  11  20.834 -13.303 -17.415
   82    HG1  THR  11           HG1      THR  11  19.049 -14.241 -18.394
   83   HG21  THR  11          HG21      THR  11  20.971 -16.340 -17.250
   84   HG22  THR  11          HG22      THR  11  21.067 -15.399 -18.757
   85   HG23  THR  11          HG23      THR  11  22.324 -15.215 -17.535
   86    H    ASP  12           H        ASP  12  21.726 -16.320 -14.683
   87    HA   ASP  12           HA       ASP  12  24.132 -15.109 -13.615
   88    HB2  ASP  12           HB2      ASP  12  24.738 -17.396 -13.063
   89    HB3  ASP  12           HB3      ASP  12  23.117 -17.012 -12.515
   90    H    HIS  13           H        HIS  13  24.484 -13.988 -15.777
   91    HA   HIS  13           HA       HIS  13  25.670 -15.562 -17.935
   92    HB2  HIS  13           HB2      HIS  13  24.724 -12.944 -17.711
   93    HB3  HIS  13           HB3      HIS  13  26.442 -12.710 -17.734
   94    HD2  HIS  13           HD2      HIS  13  23.686 -14.451 -19.864
   95    HE1  HIS  13           HE1      HIS  13  26.842 -13.360 -22.519
   96    HE2  HIS  13           HE2      HIS  13  24.504 -14.357 -22.369
   97    H    THR  14           H        THR  14  26.820 -15.130 -14.886
   98    HA   THR  14           HA       THR  14  29.472 -14.168 -15.527
   99    HB   THR  14           HB       THR  14  29.701 -14.015 -13.050
  100    HG1  THR  14           HG1      THR  14  27.849 -14.408 -11.827
  101   HG21  THR  14          HG21      THR  14  27.046 -12.820 -13.941
  102   HG22  THR  14          HG22      THR  14  28.134 -12.243 -12.664
  103   HG23  THR  14          HG23      THR  14  28.629 -12.132 -14.362
  104    H    VAL  15           H        VAL  15  31.435 -15.193 -15.308
  105    HA   VAL  15           HA       VAL  15  31.414 -18.088 -14.610
  106    HB   VAL  15           HB       VAL  15  30.950 -17.720 -16.999
  107   HG11  VAL  15          HG11      VAL  15  33.814 -16.758 -17.258
  108   HG12  VAL  15          HG12      VAL  15  32.706 -17.167 -18.581
  109   HG13  VAL  15          HG13      VAL  15  32.346 -15.795 -17.527
  110   HG21  VAL  15          HG21      VAL  15  31.892 -19.825 -16.126
  111   HG22  VAL  15          HG22      VAL  15  32.288 -19.495 -17.819
  112   HG23  VAL  15          HG23      VAL  15  33.517 -19.260 -16.570
  113    H    SER  16           H        SER  16  32.355 -16.065 -12.978
  114    HA   SER  16           HA       SER  16  35.313 -16.577 -12.858
  115    HB2  SER  16           HB2      SER  16  35.229 -14.318 -13.321
  116    HB3  SER  16           HB3      SER  16  33.690 -14.090 -12.483
  117    HG   SER  16           HG       SER  16  36.265 -14.034 -11.459
  118    H    SER  17           H        SER  17  36.256 -16.853 -10.772
  119    HA   SER  17           HA       SER  17  34.772 -18.402  -8.896
  120    HB2  SER  17           HB2      SER  17  36.793 -18.147  -7.475
  121    HB3  SER  17           HB3      SER  17  37.167 -18.627  -9.141
  122    HG   SER  17           HG       SER  17  38.546 -16.928  -8.422
  123    H    ILE  18           H        ILE  18  35.430 -14.932  -8.997
  124    HA   ILE  18           HA       ILE  18  33.767 -14.470  -6.556
  125    HB   ILE  18           HB       ILE  18  34.410 -11.982  -7.248
  126   HG12  ILE  18          HG12      ILE  18  36.865 -13.510  -8.219
  127   HG13  ILE  18          HG13      ILE  18  35.625 -12.817  -9.279
  128   HG21  ILE  18          HG21      ILE  18  36.302 -13.865  -5.787
  129   HG22  ILE  18          HG22      ILE  18  36.202 -12.096  -5.591
  130   HG23  ILE  18          HG23      ILE  18  34.852 -13.105  -5.090
  131   HD11  ILE  18          HD11      ILE  18  37.135 -11.061  -7.387
  132   HD12  ILE  18          HD12      ILE  18  37.733 -11.504  -9.009
  133   HD13  ILE  18          HD13      ILE  18  36.206 -10.664  -8.859
  134    H    GLY  19           H        GLY  19  33.743 -13.754 -10.096
  135    HA2  GLY  19           HA2      GLY  19  31.399 -12.108  -9.939
  136    HA3  GLY  19           HA3      GLY  19  32.031 -12.869 -11.401
  137    H    HIS  20           H        HIS  20  31.658 -15.647 -10.193
  138    HA   HIS  20           HA       HIS  20  28.871 -16.135 -10.836
  139    HB2  HIS  20           HB2      HIS  20  30.651 -17.805 -11.147
  140    HB3  HIS  20           HB3      HIS  20  30.924 -17.855  -9.405
  141    HD2  HIS  20           HD2      HIS  20  27.265 -17.781 -10.512
  142    HE1  HIS  20           HE1      HIS  20  28.119 -21.845  -9.540
  143    HE2  HIS  20           HE2      HIS  20  26.273 -20.197 -10.146
  144    H    ASP  21           H        ASP  21  30.660 -15.689  -7.770
  145    HA   ASP  21           HA       ASP  21  28.304 -16.203  -6.124
  146    HB2  ASP  21           HB2      ASP  21  31.125 -15.267  -5.578
  147    HB3  ASP  21           HB3      ASP  21  29.868 -15.081  -4.361
  148    H    PHE  22           H        PHE  22  29.803 -13.237  -7.520
  149    HA   PHE  22           HA       PHE  22  28.211 -11.323  -6.162
  150    HB2  PHE  22           HB2      PHE  22  30.020 -10.784  -7.814
  151    HB3  PHE  22           HB3      PHE  22  28.976 -11.293  -9.113
  152    HD1  PHE  22           HD1      PHE  22  26.897 -10.041  -9.646
  153    HD2  PHE  22           HD2      PHE  22  29.649  -8.579  -6.684
  154    HE1  PHE  22           HE1      PHE  22  25.833  -7.801  -9.775
  155    HE2  PHE  22           HE2      PHE  22  28.644  -6.319  -6.872
  156    HZ   PHE  22           HZ       PHE  22  26.731  -5.936  -8.420
  157    H    TYR  23           H        TYR  23  27.328 -13.281  -9.044
  158    HA   TYR  23           HA       TYR  23  24.752 -12.197  -9.463
  159    HB2  TYR  23           HB2      TYR  23  25.748 -13.786 -11.023
  160    HB3  TYR  23           HB3      TYR  23  25.711 -15.064  -9.802
  161    HD1  TYR  23           HD1      TYR  23  23.707 -16.315  -9.333
  162    HD2  TYR  23           HD2      TYR  23  23.594 -12.891 -11.940
  163    HE1  TYR  23           HE1      TYR  23  21.323 -16.800  -9.856
  164    HE2  TYR  23           HE2      TYR  23  21.199 -13.348 -12.436
  165    HH   TYR  23           HH       TYR  23  19.439 -16.127 -11.007
  166    H    ARG  24           H        ARG  24  25.621 -14.966  -7.377
  167    HA   ARG  24           HA       ARG  24  22.940 -15.446  -6.425
  168    HB2  ARG  24           HB2      ARG  24  25.584 -16.254  -5.119
  169    HB3  ARG  24           HB3      ARG  24  23.992 -16.959  -4.828
  170    HG2  ARG  24           HG2      ARG  24  23.962 -17.599  -7.321
  171    HG3  ARG  24           HG3      ARG  24  25.647 -17.098  -7.385
  172    HD2  ARG  24           HD2      ARG  24  25.668 -19.449  -7.094
  173    HD3  ARG  24           HD3      ARG  24  26.177 -18.729  -5.555
  174    HE   ARG  24           HE       ARG  24  23.320 -19.197  -5.588
  175   HH11  ARG  24          HH11      ARG  24  26.303 -21.010  -5.251
  176   HH12  ARG  24          HH12      ARG  24  25.532 -22.289  -4.354
  177   HH21  ARG  24          HH21      ARG  24  22.403 -20.851  -4.419
  178   HH22  ARG  24          HH22      ARG  24  23.377 -22.195  -3.900
  179    H    ALA  25           H        ALA  25  25.693 -13.738  -4.965
  180    HA   ALA  25           HA       ALA  25  24.349 -13.029  -2.529
  181    HB1  ALA  25           HB1      ALA  25  26.694 -11.668  -3.930
  182    HB2  ALA  25           HB2      ALA  25  26.270 -11.553  -2.204
  183    HB3  ALA  25           HB3      ALA  25  26.831 -13.096  -2.872
  184    H    PHE  26           H        PHE  26  24.728 -11.193  -5.632
  185    HA   PHE  26           HA       PHE  26  23.394  -8.847  -4.717
  186    HB2  PHE  26           HB2      PHE  26  24.772  -8.911  -6.726
  187    HB3  PHE  26           HB3      PHE  26  23.707 -10.058  -7.497
  188    HD1  PHE  26           HD1      PHE  26  21.207  -9.255  -7.927
  189    HD2  PHE  26           HD2      PHE  26  24.511  -6.596  -7.136
  190    HE1  PHE  26           HE1      PHE  26  19.929  -7.386  -8.894
  191    HE2  PHE  26           HE2      PHE  26  23.243  -4.733  -8.198
  192    HZ   PHE  26           HZ       PHE  26  20.936  -5.134  -9.064
  193    H    SER  27           H        SER  27  22.072 -11.718  -6.484
  194    HA   SER  27           HA       SER  27  19.401 -10.713  -6.526
  195    HB2  SER  27           HB2      SER  27  18.718 -12.874  -7.271
  196    HB3  SER  27           HB3      SER  27  20.247 -12.448  -8.061
  197    HG   SER  27           HG       SER  27  20.216 -14.628  -7.270
  198    H    ASP  28           H        ASP  28  21.093 -12.619  -4.052
  199    HA   ASP  28           HA       ASP  28  18.848 -13.292  -2.438
  200    HB2  ASP  28           HB2      ASP  28  21.813 -12.926  -1.970
  201    HB3  ASP  28           HB3      ASP  28  20.751 -13.102  -0.587
  202    H    LYS  29           H        LYS  29  20.671 -10.219  -2.599
  203    HA   LYS  29           HA       LYS  29  18.725  -9.095  -0.614
  204    HB2  LYS  29           HB2      LYS  29  20.630  -7.216  -0.528
  205    HB3  LYS  29           HB3      LYS  29  20.445  -8.523   0.592
  206    HG2  LYS  29           HG2      LYS  29  22.265  -8.765  -1.826
  207    HG3  LYS  29           HG3      LYS  29  22.784  -7.926  -0.376
  208    HD2  LYS  29           HD2      LYS  29  21.971 -10.857  -0.451
  209    HD3  LYS  29           HD3      LYS  29  23.615 -10.227  -0.433
  210    HE2  LYS  29           HE2      LYS  29  23.177  -9.128   1.768
  211    HE3  LYS  29           HE3      LYS  29  21.546  -9.805   1.778
  212    HZ1  LYS  29           HZ1      LYS  29  24.052 -11.425   1.784
  213    HZ2  LYS  29           HZ2      LYS  29  23.077 -11.183   3.067
  214    HZ3  LYS  29           HZ3      LYS  29  22.534 -12.046   1.797
  215    H    TRP  30           H        TRP  30  19.043  -9.120  -3.843
  216    HA   TRP  30           HA       TRP  30  18.594  -6.429  -4.569
  217    HB2  TRP  30           HB2      TRP  30  19.191  -8.127  -6.190
  218    HB3  TRP  30           HB3      TRP  30  17.671  -8.984  -5.911
  219    HD1  TRP  30           HD1      TRP  30  15.935  -8.504  -7.694
  220    HE1  TRP  30           HE1      TRP  30  15.306  -6.557  -9.239
  221    HE3  TRP  30           HE3      TRP  30  19.515  -5.139  -6.250
  222    HZ2  TRP  30           HZ2      TRP  30  16.205  -3.855  -9.737
  223    HZ3  TRP  30           HZ3      TRP  30  19.556  -2.865  -7.213
  224    HH2  TRP  30           HH2      TRP  30  17.941  -2.211  -8.976
  225    H    GLU  31           H        GLU  31  16.996  -5.058  -4.468
  226    HA   GLU  31           HA       GLU  31  14.214  -5.761  -4.711
  227    HB2  GLU  31           HB2      GLU  31  14.556  -6.100  -2.247
  228    HB3  GLU  31           HB3      GLU  31  15.153  -4.444  -2.112
  229    HG2  GLU  31           HG2      GLU  31  12.952  -3.584  -2.851
  230    HG3  GLU  31           HG3      GLU  31  12.375  -5.235  -3.095
  231    H    SER  32           H        SER  32  13.166  -4.007  -5.709
  232    HA   SER  32           HA       SER  32  14.241  -1.292  -5.438
  233    HB2  SER  32           HB2      SER  32  15.526  -2.461  -7.303
  234    HB3  SER  32           HB3      SER  32  14.024  -2.299  -8.242
  235    HG   SER  32           HG       SER  32  15.643  -0.277  -7.019
  236    H    ASP  33           H        ASP  33  12.928   0.317  -6.639
  237    HA   ASP  33           HA       ASP  33  10.084  -0.179  -6.076
  238    HB2  ASP  33           HB2      ASP  33  11.322   1.870  -5.372
  239    HB3  ASP  33           HB3      ASP  33  11.479   2.329  -7.069
  240    H    TYR  34           H        TYR  34  12.051   0.096  -8.956
  241    HA   TYR  34           HA       TYR  34   9.785   0.448 -10.797
  242    HB2  TYR  34           HB2      TYR  34  11.356   0.812 -12.463
  243    HB3  TYR  34           HB3      TYR  34  12.076   1.553 -11.054
  244    HD1  TYR  34           HD1      TYR  34  12.711  -0.591 -13.826
  245    HD2  TYR  34           HD2      TYR  34  13.737   0.003  -9.678
  246    HE1  TYR  34           HE1      TYR  34  14.631  -2.098 -14.083
  247    HE2  TYR  34           HE2      TYR  34  15.640  -1.542  -9.907
  248    HH   TYR  34           HH       TYR  34  16.440  -3.098 -13.067
  249    H    THR  35           H        THR  35  10.455  -1.105 -12.953
  250    HA   THR  35           HA       THR  35   9.115  -3.543 -12.295
  251    HB   THR  35           HB       THR  35  10.420  -3.062 -14.961
  252    HG1  THR  35           HG1      THR  35   8.732  -1.635 -15.477
  253   HG21  THR  35          HG21      THR  35   7.621  -3.980 -14.119
  254   HG22  THR  35          HG22      THR  35   8.201  -3.843 -15.793
  255   HG23  THR  35          HG23      THR  35   8.921  -5.035 -14.713
  256    H    GLY  36           H        GLY  36  12.456  -2.962 -12.004
  257    HA2  GLY  36           HA2      GLY  36  14.158  -4.405 -11.476
  258    HA3  GLY  36           HA3      GLY  36  12.902  -5.627 -11.193
  259    H    ASN  37           H        ASN  37  13.385  -4.290 -14.395
  260    HA   ASN  37           HA       ASN  37  14.068  -6.974 -15.376
  261    HB2  ASN  37           HB2      ASN  37  13.604  -4.410 -16.923
  262    HB3  ASN  37           HB3      ASN  37  13.748  -6.037 -17.594
  263   HD21  ASN  37          HD21      ASN  37  10.469  -7.018 -16.321
  264   HD22  ASN  37          HD22      ASN  37  12.100  -7.669 -16.279
  265    H    LEU  38           H        LEU  38  16.098  -6.898 -14.149
  266    HA   LEU  38           HA       LEU  38  18.327  -5.774 -15.789
  267    HB2  LEU  38           HB2      LEU  38  19.560  -5.152 -13.972
  268    HB3  LEU  38           HB3      LEU  38  17.947  -4.586 -13.582
  269    HG   LEU  38           HG       LEU  38  19.367  -7.036 -12.417
  270   HD11  LEU  38          HD11      LEU  38  18.611  -4.321 -11.297
  271   HD12  LEU  38          HD12      LEU  38  19.129  -5.683 -10.298
  272   HD13  LEU  38          HD13      LEU  38  20.244  -5.019 -11.489
  273   HD21  LEU  38          HD21      LEU  38  16.929  -7.488 -12.445
  274   HD22  LEU  38          HD22      LEU  38  17.519  -7.195 -10.815
  275   HD23  LEU  38          HD23      LEU  38  16.639  -5.906 -11.666
  276    H    THR  39           H        THR  39  20.321  -6.835 -15.869
  277    HA   THR  39           HA       THR  39  20.493  -9.595 -14.782
  278    HB   THR  39           HB       THR  39  19.589  -9.730 -17.096
  279    HG1  THR  39           HG1      THR  39  21.317 -11.294 -17.614
  280   HG21  THR  39          HG21      THR  39  22.378  -8.870 -17.948
  281   HG22  THR  39          HG22      THR  39  21.068  -9.465 -18.988
  282   HG23  THR  39          HG23      THR  39  20.893  -7.910 -18.164
  283    H    ILE  40           H        ILE  40  22.726 -10.491 -15.008
  284    HA   ILE  40           HA       ILE  40  24.722  -8.337 -14.339
  285    HB   ILE  40           HB       ILE  40  24.256 -11.015 -13.010
  286   HG12  ILE  40          HG12      ILE  40  24.062  -8.254 -11.722
  287   HG13  ILE  40          HG13      ILE  40  22.661  -9.047 -12.430
  288   HG21  ILE  40          HG21      ILE  40  26.322  -8.930 -12.164
  289   HG22  ILE  40          HG22      ILE  40  26.090 -10.585 -11.539
  290   HG23  ILE  40          HG23      ILE  40  26.724 -10.353 -13.141
  291   HD11  ILE  40          HD11      ILE  40  24.309 -10.163 -10.147
  292   HD12  ILE  40          HD12      ILE  40  22.675  -9.475 -10.075
  293   HD13  ILE  40          HD13      ILE  40  22.934 -10.985 -10.947
  294    H    ASN  41           H        ASN  41  26.566  -8.439 -15.392
  295    HA   ASN  41           HA       ASN  41  27.299 -10.893 -16.929
  296    HB2  ASN  41           HB2      ASN  41  27.732  -8.053 -17.913
  297    HB3  ASN  41           HB3      ASN  41  27.766  -9.553 -18.831
  298   HD21  ASN  41          HD21      ASN  41  24.221  -7.549 -18.225
  299   HD22  ASN  41          HD22      ASN  41  25.649  -7.159 -17.267
  300    H    GLU  42           H        GLU  42  29.541 -11.451 -16.767
  301    HA   GLU  42           HA       GLU  42  31.289  -9.297 -15.711
  302    HB2  GLU  42           HB2      GLU  42  32.375 -10.654 -14.127
  303    HB3  GLU  42           HB3      GLU  42  30.660 -10.911 -13.902
  304    HG2  GLU  42           HG2      GLU  42  31.430 -13.045 -13.752
  305    HG3  GLU  42           HG3      GLU  42  31.051 -12.955 -15.481
  306    H    ARG  43           H        ARG  43  33.486  -9.356 -16.180
  307    HA   ARG  43           HA       ARG  43  34.267 -11.137 -18.444
  308    HB2  ARG  43           HB2      ARG  43  34.025  -8.771 -19.179
  309    HB3  ARG  43           HB3      ARG  43  35.286  -8.313 -18.035
  310    HG2  ARG  43           HG2      ARG  43  36.896  -9.823 -19.169
  311    HG3  ARG  43           HG3      ARG  43  35.628 -10.317 -20.311
  312    HD2  ARG  43           HD2      ARG  43  35.433  -7.990 -21.109
  313    HD3  ARG  43           HD3      ARG  43  36.688  -7.481 -19.956
  314    HE   ARG  43           HE       ARG  43  37.798  -9.574 -21.481
  315   HH11  ARG  43          HH11      ARG  43  36.691  -6.312 -22.140
  316   HH12  ARG  43          HH12      ARG  43  37.769  -6.122 -23.495
  317   HH21  ARG  43          HH21      ARG  43  39.142  -9.268 -23.223
  318   HH22  ARG  43          HH22      ARG  43  39.124  -7.760 -24.085
  319    HA   PRO  44           HA       PRO  44  37.081 -12.306 -15.168
  320    HB2  PRO  44           HB2      PRO  44  37.879 -14.713 -16.154
  321    HB3  PRO  44           HB3      PRO  44  36.238 -14.440 -15.508
  322    HG2  PRO  44           HG2      PRO  44  37.148 -14.409 -18.400
  323    HG3  PRO  44           HG3      PRO  44  35.722 -15.244 -17.696
  324    HD2  PRO  44           HD2      PRO  44  35.554 -12.801 -18.915
  325    HD3  PRO  44           HD3      PRO  44  34.499 -13.259 -17.547
  326    H    SER  45           H        SER  45  39.025 -11.397 -14.928
  327    HA   SER  45           HA       SER  45  40.926 -11.204 -17.228
  328    HB2  SER  45           HB2      SER  45  39.872  -8.905 -15.535
  329    HB3  SER  45           HB3      SER  45  41.202  -8.802 -16.710
  330    HG   SER  45           HG       SER  45  39.232  -8.152 -17.664
  331    H    ALA  46           H        ALA  46  42.491 -12.472 -16.390
  332    HA   ALA  46           HA       ALA  46  43.084 -12.792 -13.682
  333    HB1  ALA  46           HB1      ALA  46  44.833 -13.355 -16.120
  334    HB2  ALA  46           HB2      ALA  46  45.015 -14.096 -14.516
  335    HB3  ALA  46           HB3      ALA  46  43.562 -14.423 -15.477
  336    H    ARG  47           H        ARG  47  44.074 -10.137 -15.573
  337    HA   ARG  47           HA       ARG  47  46.375  -9.169 -14.234
  338    HB2  ARG  47           HB2      ARG  47  45.633  -6.961 -14.901
  339    HB3  ARG  47           HB3      ARG  47  45.312  -8.106 -16.199
  340    HG2  ARG  47           HG2      ARG  47  42.907  -8.247 -15.346
  341    HG3  ARG  47           HG3      ARG  47  43.270  -6.914 -14.255
  342    HD2  ARG  47           HD2      ARG  47  43.571  -6.774 -17.283
  343    HD3  ARG  47           HD3      ARG  47  42.122  -6.276 -16.391
  344    HE   ARG  47           HE       ARG  47  44.364  -4.925 -15.263
  345   HH11  ARG  47          HH11      ARG  47  42.489  -4.828 -18.227
  346   HH12  ARG  47          HH12      ARG  47  42.800  -3.133 -18.476
  347   HH21  ARG  47          HH21      ARG  47  44.730  -2.764 -15.651
  348   HH22  ARG  47          HH22      ARG  47  44.041  -2.003 -17.053
  349    H    ALA  48           H        ALA  48  43.059  -9.378 -13.008
  350    HA   ALA  48           HA       ALA  48  43.960  -8.646 -10.306
  351    HB1  ALA  48           HB1      ALA  48  42.129  -6.821 -11.926
  352    HB2  ALA  48           HB2      ALA  48  42.389  -6.691 -10.176
  353    HB3  ALA  48           HB3      ALA  48  43.736  -6.430 -11.290
  354    H    GLY  49           H        GLY  49  41.310  -9.934 -12.347
  355    HA2  GLY  49           HA2      GLY  49  40.068 -11.606 -10.651
  356    HA3  GLY  49           HA3      GLY  49  39.457 -10.072 -10.040
  357    H    SER  50           H        SER  50  37.573  -9.354 -10.918
  358    HA   SER  50           HA       SER  50  36.943 -10.007 -13.744
  359    HB2  SER  50           HB2      SER  50  34.561 -10.415 -13.078
  360    HB3  SER  50           HB3      SER  50  35.696 -11.702 -12.651
  361    HG   SER  50           HG       SER  50  34.411 -11.334 -10.890
  362    H    TRP  51           H        TRP  51  35.757  -8.548 -14.872
  363    HA   TRP  51           HA       TRP  51  34.983  -5.975 -13.565
  364    HB2  TRP  51           HB2      TRP  51  35.349  -6.922 -16.369
  365    HB3  TRP  51           HB3      TRP  51  33.957  -5.895 -16.098
  366    HD1  TRP  51           HD1      TRP  51  37.584  -5.709 -16.703
  367    HE1  TRP  51           HE1      TRP  51  38.419  -3.292 -16.524
  368    HE3  TRP  51           HE3      TRP  51  33.441  -3.599 -14.556
  369    HZ2  TRP  51           HZ2      TRP  51  37.371  -0.730 -15.658
  370    HZ3  TRP  51           HZ3      TRP  51  33.393  -1.156 -14.069
  371    HH2  TRP  51           HH2      TRP  51  35.328   0.278 -14.626
  372    H    ILE  52           H        ILE  52  32.931  -5.738 -12.809
  373    HA   ILE  52           HA       ILE  52  30.816  -7.680 -13.659
  374    HB   ILE  52           HB       ILE  52  30.897  -5.932 -11.169
  375   HG12  ILE  52          HG12      ILE  52  32.552  -7.653 -10.855
  376   HG13  ILE  52          HG13      ILE  52  31.136  -8.003  -9.874
  377   HG21  ILE  52          HG21      ILE  52  28.902  -8.056 -12.102
  378   HG22  ILE  52          HG22      ILE  52  28.956  -7.352 -10.473
  379   HG23  ILE  52          HG23      ILE  52  28.603  -6.319 -11.850
  380   HD11  ILE  52          HD11      ILE  52  31.767  -9.317 -12.538
  381   HD12  ILE  52          HD12      ILE  52  32.104 -10.030 -10.971
  382   HD13  ILE  52          HD13      ILE  52  30.420  -9.754 -11.469
  383    H    THR  53           H        THR  53  29.180  -6.937 -14.797
  384    HA   THR  53           HA       THR  53  28.642  -3.996 -14.980
  385    HB   THR  53           HB       THR  53  28.901  -5.924 -17.325
  386    HG1  THR  53           HG1      THR  53  30.747  -4.727 -17.796
  387   HG21  THR  53          HG21      THR  53  28.491  -2.901 -17.260
  388   HG22  THR  53          HG22      THR  53  28.704  -3.891 -18.713
  389   HG23  THR  53          HG23      THR  53  27.245  -4.082 -17.728
  390    H    ILE  54           H        ILE  54  26.587  -3.652 -14.438
  391    HA   ILE  54           HA       ILE  54  24.576  -5.817 -14.873
  392    HB   ILE  54           HB       ILE  54  24.711  -5.409 -12.622
  393   HG12  ILE  54          HG12      ILE  54  22.389  -5.597 -13.473
  394   HG13  ILE  54          HG13      ILE  54  22.584  -4.815 -11.917
  395   HG21  ILE  54          HG21      ILE  54  24.617  -2.440 -13.185
  396   HG22  ILE  54          HG22      ILE  54  24.359  -3.147 -11.569
  397   HG23  ILE  54          HG23      ILE  54  25.904  -3.384 -12.397
  398   HD11  ILE  54          HD11      ILE  54  21.849  -3.444 -14.533
  399   HD12  ILE  54          HD12      ILE  54  20.898  -3.597 -13.075
  400   HD13  ILE  54          HD13      ILE  54  22.326  -2.571 -13.060
  401    H    THR  55           H        THR  55  23.025  -5.617 -16.249
  402    HA   THR  55           HA       THR  55  22.649  -3.010 -17.644
  403    HB   THR  55           HB       THR  55  22.069  -4.435 -19.661
  404    HG1  THR  55           HG1      THR  55  22.570  -6.543 -19.631
  405   HG21  THR  55          HG21      THR  55  24.912  -4.645 -18.551
  406   HG22  THR  55          HG22      THR  55  24.442  -5.032 -20.217
  407   HG23  THR  55          HG23      THR  55  24.269  -3.382 -19.623
  408    H    VAL  56           H        VAL  56  20.614  -2.318 -18.061
  409    HA   VAL  56           HA       VAL  56  18.315  -3.899 -16.973
  410    HB   VAL  56           HB       VAL  56  18.766  -0.921 -17.218
  411   HG11  VAL  56          HG11      VAL  56  16.072  -2.336 -16.886
  412   HG12  VAL  56          HG12      VAL  56  16.374  -0.623 -16.518
  413   HG13  VAL  56          HG13      VAL  56  16.534  -1.196 -18.177
  414   HG21  VAL  56          HG21      VAL  56  19.358  -2.270 -15.149
  415   HG22  VAL  56          HG22      VAL  56  18.127  -1.019 -14.860
  416   HG23  VAL  56          HG23      VAL  56  17.651  -2.720 -15.012
  417    H    ASN  57           H        ASN  57  17.213  -4.902 -18.361
  418    HA   ASN  57           HA       ASN  57  16.542  -5.898 -20.265
  419    HB2  ASN  57           HB2      ASN  57  16.225  -3.068 -21.336
  420    HB3  ASN  57           HB3      ASN  57  15.579  -4.526 -22.070
  421   HD21  ASN  57          HD21      ASN  57  13.480  -2.791 -19.142
  422   HD22  ASN  57          HD22      ASN  57  14.915  -2.057 -19.845
  423    H    GLN  58           H        GLN  58  18.362  -3.239 -21.758
  424    HA   GLN  58           HA       GLN  58  20.424  -5.078 -22.822
  425    HB2  GLN  58           HB2      GLN  58  20.097  -4.262 -25.123
  426    HB3  GLN  58           HB3      GLN  58  18.696  -5.137 -24.515
  427    HG2  GLN  58           HG2      GLN  58  17.454  -3.071 -24.151
  428    HG3  GLN  58           HG3      GLN  58  18.869  -2.092 -24.535
  429   HE21  GLN  58          HE21      GLN  58  18.530  -2.570 -28.099
  430   HE22  GLN  58          HE22      GLN  58  19.693  -2.187 -26.837
  431    H    ASP  59           H        ASP  59  19.964  -2.428 -21.053
  432    HA   ASP  59           HA       ASP  59  22.126  -0.763 -22.312
  433    HB2  ASP  59           HB2      ASP  59  19.666  -0.013 -20.691
  434    HB3  ASP  59           HB3      ASP  59  20.986   1.098 -21.016
  435    H    VAL  60           H        VAL  60  23.942  -0.354 -21.116
  436    HA   VAL  60           HA       VAL  60  24.157  -1.497 -18.426
  437    HB   VAL  60           HB       VAL  60  26.071  -1.631 -19.895
  438   HG11  VAL  60          HG11      VAL  60  26.306   1.404 -19.735
  439   HG12  VAL  60          HG12      VAL  60  27.468   0.286 -20.471
  440   HG13  VAL  60          HG13      VAL  60  25.864   0.473 -21.184
  441   HG21  VAL  60          HG21      VAL  60  26.419  -1.545 -17.428
  442   HG22  VAL  60          HG22      VAL  60  27.799  -0.931 -18.361
  443   HG23  VAL  60          HG23      VAL  60  26.719   0.209 -17.553
  444    H    ILE  61           H        ILE  61  24.137  -0.568 -16.507
  445    HA   ILE  61           HA       ILE  61  23.784   2.409 -16.339
  446    HB   ILE  61           HB       ILE  61  22.281   1.909 -14.370
  447   HG12  ILE  61          HG12      ILE  61  21.620  -0.705 -15.724
  448   HG13  ILE  61          HG13      ILE  61  22.790  -0.627 -14.396
  449   HG21  ILE  61          HG21      ILE  61  21.211   1.253 -17.136
  450   HG22  ILE  61          HG22      ILE  61  20.291   1.927 -15.768
  451   HG23  ILE  61          HG23      ILE  61  21.559   2.888 -16.526
  452   HD11  ILE  61          HD11      ILE  61  19.934   0.414 -14.191
  453   HD12  ILE  61          HD12      ILE  61  20.496  -1.150 -13.610
  454   HD13  ILE  61          HD13      ILE  61  21.152   0.334 -12.900
  455    H    PHE  62           H        PHE  62  25.223  -0.477 -14.876
  456    HA   PHE  62           HA       PHE  62  27.009   1.306 -13.423
  457    HB2  PHE  62           HB2      PHE  62  25.345   1.158 -11.736
  458    HB3  PHE  62           HB3      PHE  62  25.106  -0.558 -11.967
  459    HD1  PHE  62           HD1      PHE  62  27.672   1.992 -10.944
  460    HD2  PHE  62           HD2      PHE  62  26.361  -2.100 -10.544
  461    HE1  PHE  62           HE1      PHE  62  29.471   1.567  -9.292
  462    HE2  PHE  62           HE2      PHE  62  28.204  -2.523  -8.914
  463    HZ   PHE  62           HZ       PHE  62  29.728  -0.685  -8.278
  464    H    GLN  63           H        GLN  63  28.952   0.398 -12.924
  465    HA   GLN  63           HA       GLN  63  29.425  -2.421 -13.209
  466    HB2  GLN  63           HB2      GLN  63  31.080  -2.309 -15.033
  467    HB3  GLN  63           HB3      GLN  63  29.454  -1.899 -15.563
  468    HG2  GLN  63           HG2      GLN  63  30.051   0.528 -15.495
  469    HG3  GLN  63           HG3      GLN  63  31.710   0.085 -15.074
  470   HE21  GLN  63          HE21      GLN  63  32.295  -1.382 -18.403
  471   HE22  GLN  63          HE22      GLN  63  32.550  -1.829 -16.728
  472    H    THR  64           H        THR  64  31.391  -3.114 -12.362
  473    HA   THR  64           HA       THR  64  33.343  -1.206 -11.278
  474    HB   THR  64           HB       THR  64  31.496  -1.104  -9.650
  475    HG1  THR  64           HG1      THR  64  32.845  -1.350  -7.896
  476   HG21  THR  64          HG21      THR  64  32.128  -4.020  -8.998
  477   HG22  THR  64          HG22      THR  64  30.947  -2.960  -8.198
  478   HG23  THR  64          HG23      THR  64  30.668  -3.484  -9.861
  479    H    PHE  65           H        PHE  65  35.086  -2.361 -10.051
  480    HA   PHE  65           HA       PHE  65  35.666  -4.968 -11.368
  481    HB2  PHE  65           HB2      PHE  65  37.197  -2.751 -11.330
  482    HB3  PHE  65           HB3      PHE  65  37.767  -3.494  -9.846
  483    HD1  PHE  65           HD1      PHE  65  38.088  -3.374 -13.392
  484    HD2  PHE  65           HD2      PHE  65  38.454  -6.054 -10.041
  485    HE1  PHE  65           HE1      PHE  65  39.445  -4.927 -14.777
  486    HE2  PHE  65           HE2      PHE  65  39.723  -7.638 -11.445
  487    HZ   PHE  65           HZ       PHE  65  40.221  -7.075 -13.839
  488    H    LEU  66           H        LEU  66  35.745  -6.815 -10.231
  489    HA   LEU  66           HA       LEU  66  35.657  -6.756  -7.250
  490    HB2  LEU  66           HB2      LEU  66  34.671  -8.721  -9.302
  491    HB3  LEU  66           HB3      LEU  66  35.124  -9.275  -7.700
  492    HG   LEU  66           HG       LEU  66  32.925  -7.278  -8.257
  493   HD11  LEU  66          HD11      LEU  66  32.866 -10.146  -7.181
  494   HD12  LEU  66          HD12      LEU  66  31.497  -9.122  -7.653
  495   HD13  LEU  66          HD13      LEU  66  32.609  -9.744  -8.875
  496   HD21  LEU  66          HD21      LEU  66  33.866  -6.826  -6.022
  497   HD22  LEU  66          HD22      LEU  66  32.349  -7.725  -5.842
  498   HD23  LEU  66          HD23      LEU  66  33.904  -8.561  -5.656
  499    H    PHE  67           H        PHE  67  37.132  -7.794  -6.069
  500    HA   PHE  67           HA       PHE  67  39.508  -8.990  -7.451
  501    HB2  PHE  67           HB2      PHE  67  39.495  -7.345  -4.910
  502    HB3  PHE  67           HB3      PHE  67  40.902  -7.971  -5.756
  503    HD1  PHE  67           HD1      PHE  67  38.268  -5.384  -5.700
  504    HD2  PHE  67           HD2      PHE  67  41.700  -6.879  -7.841
  505    HE1  PHE  67           HE1      PHE  67  38.381  -3.269  -6.990
  506    HE2  PHE  67           HE2      PHE  67  41.826  -4.737  -9.111
  507    HZ   PHE  67           HZ       PHE  67  40.165  -2.942  -8.696
  508    HA   PRO  68           HA       PRO  68  38.367 -12.463  -4.887
  509    HB2  PRO  68           HB2      PRO  68  40.253 -14.266  -5.630
  510    HB3  PRO  68           HB3      PRO  68  39.007 -13.666  -6.770
  511    HG2  PRO  68           HG2      PRO  68  41.848 -12.612  -6.417
  512    HG3  PRO  68           HG3      PRO  68  41.051 -13.130  -7.946
  513    HD2  PRO  68           HD2      PRO  68  41.145 -10.547  -7.194
  514    HD3  PRO  68           HD3      PRO  68  39.685 -11.239  -7.978
  515    H    LEU  69           H        LEU  69  41.677 -11.148  -4.663
  516    HA   LEU  69           HA       LEU  69  42.347 -12.598  -2.228
  517    HB2  LEU  69           HB2      LEU  69  43.970 -11.989  -4.006
  518    HB3  LEU  69           HB3      LEU  69  43.697 -10.279  -3.672
  519    HG   LEU  69           HG       LEU  69  44.670 -10.555  -1.404
  520   HD11  LEU  69          HD11      LEU  69  45.212 -13.424  -2.301
  521   HD12  LEU  69          HD12      LEU  69  45.916 -12.645  -0.866
  522   HD13  LEU  69          HD13      LEU  69  44.175 -12.922  -0.945
  523   HD21  LEU  69          HD21      LEU  69  46.091  -9.918  -3.313
  524   HD22  LEU  69          HD22      LEU  69  46.988 -10.884  -2.131
  525   HD23  LEU  69          HD23      LEU  69  46.428 -11.633  -3.644
  526    H    LYS  70           H        LYS  70  40.913  -9.515  -2.960
  527    HA   LYS  70           HA       LYS  70  41.251  -8.408  -0.221
  528    HB2  LYS  70           HB2      LYS  70  39.842  -7.315  -2.691
  529    HB3  LYS  70           HB3      LYS  70  39.995  -6.446  -1.176
  530    HG2  LYS  70           HG2      LYS  70  42.349  -7.308  -2.915
  531    HG3  LYS  70           HG3      LYS  70  41.605  -5.708  -2.896
  532    HD2  LYS  70           HD2      LYS  70  42.170  -5.500  -0.456
  533    HD3  LYS  70           HD3      LYS  70  43.044  -7.045  -0.558
  534    HE2  LYS  70           HE2      LYS  70  44.533  -6.107  -2.296
  535    HE3  LYS  70           HE3      LYS  70  43.641  -4.581  -2.258
  536    HZ1  LYS  70           HZ1      LYS  70  45.171  -5.705   0.040
  537    HZ2  LYS  70           HZ2      LYS  70  45.651  -4.458  -0.894
  538    HZ3  LYS  70           HZ3      LYS  70  44.344  -4.293   0.066
  539    H    ARG  71           H        ARG  71  39.402  -7.550   0.929
  540    HA   ARG  71           HA       ARG  71  37.136  -9.509   0.976
  541    HB2  ARG  71           HB2      ARG  71  38.353  -7.864   3.226
  542    HB3  ARG  71           HB3      ARG  71  36.972  -8.962   3.380
  543    HG2  ARG  71           HG2      ARG  71  38.400 -10.853   2.583
  544    HG3  ARG  71           HG3      ARG  71  39.797  -9.765   2.563
  545    HD2  ARG  71           HD2      ARG  71  39.514  -9.334   4.979
  546    HD3  ARG  71           HD3      ARG  71  38.124 -10.415   5.032
  547    HE   ARG  71           HE       ARG  71  40.975 -11.132   4.846
  548   HH11  ARG  71          HH11      ARG  71  37.728 -12.440   4.539
  549   HH12  ARG  71          HH12      ARG  71  38.281 -14.081   4.731
  550   HH21  ARG  71          HH21      ARG  71  41.598 -13.241   5.083
  551   HH22  ARG  71          HH22      ARG  71  40.417 -14.516   5.032
  552    H    ASP  72           H        ASP  72  37.306  -6.878  -0.602
  553    HA   ASP  72           HA       ASP  72  35.136  -5.284   0.502
  554    HB2  ASP  72           HB2      ASP  72  35.267  -3.957  -1.436
  555    HB3  ASP  72           HB3      ASP  72  36.903  -4.337  -0.957
  556    H    PHE  73           H        PHE  73  35.152  -8.206  -1.377
  557    HA   PHE  73           HA       PHE  73  33.205  -7.944  -3.233
  558    HB2  PHE  73           HB2      PHE  73  34.410  -9.964  -3.035
  559    HB3  PHE  73           HB3      PHE  73  33.840 -10.282  -1.403
  560    HD1  PHE  73           HD1      PHE  73  33.144 -10.697  -4.950
  561    HD2  PHE  73           HD2      PHE  73  31.457 -11.016  -0.989
  562    HE1  PHE  73           HE1      PHE  73  31.240 -12.003  -5.865
  563    HE2  PHE  73           HE2      PHE  73  29.547 -12.292  -1.908
  564    HZ   PHE  73           HZ       PHE  73  29.410 -12.747  -4.323
  565    H    GLU  74           H        GLU  74  32.369  -8.734   0.186
  566    HA   GLU  74           HA       GLU  74  29.547  -8.823  -0.224
  567    HB2  GLU  74           HB2      GLU  74  30.996  -9.569   1.787
  568    HB3  GLU  74           HB3      GLU  74  30.889  -7.891   2.332
  569    HG2  GLU  74           HG2      GLU  74  28.391  -8.075   2.303
  570    HG3  GLU  74           HG3      GLU  74  28.542  -9.750   1.754
  571    H    LYS  75           H        LYS  75  31.686  -6.139   0.576
  572    HA   LYS  75           HA       LYS  75  29.609  -4.151   1.026
  573    HB2  LYS  75           HB2      LYS  75  32.605  -3.739   0.443
  574    HB3  LYS  75           HB3      LYS  75  31.448  -2.538   1.020
  575    HG2  LYS  75           HG2      LYS  75  32.193  -3.117   3.079
  576    HG3  LYS  75           HG3      LYS  75  31.024  -4.421   2.925
  577    HD2  LYS  75           HD2      LYS  75  33.097  -5.730   1.838
  578    HD3  LYS  75           HD3      LYS  75  34.038  -4.469   2.650
  579    HE2  LYS  75           HE2      LYS  75  32.753  -5.096   4.793
  580    HE3  LYS  75           HE3      LYS  75  32.090  -6.468   3.891
  581    HZ1  LYS  75           HZ1      LYS  75  34.967  -5.976   4.506
  582    HZ2  LYS  75           HZ2      LYS  75  34.049  -7.193   5.084
  583    HZ3  LYS  75           HZ3      LYS  75  34.478  -7.165   3.493
  584    H    THR  76           H        THR  76  31.753  -4.924  -1.713
  585    HA   THR  76           HA       THR  76  30.677  -3.071  -3.594
  586    HB   THR  76           HB       THR  76  32.122  -5.722  -3.930
  587    HG1  THR  76           HG1      THR  76  33.830  -4.471  -3.884
  588   HG21  THR  76          HG21      THR  76  31.328  -3.651  -6.027
  589   HG22  THR  76          HG22      THR  76  32.648  -4.835  -6.252
  590   HG23  THR  76          HG23      THR  76  30.980  -5.390  -6.042
  591    H    VAL  77           H        VAL  77  29.576  -6.422  -2.814
  592    HA   VAL  77           HA       VAL  77  27.462  -6.486  -4.779
  593    HB   VAL  77           HB       VAL  77  27.814  -7.923  -2.129
  594   HG11  VAL  77          HG11      VAL  77  25.564  -8.245  -4.158
  595   HG12  VAL  77          HG12      VAL  77  25.923  -9.386  -2.844
  596   HG13  VAL  77          HG13      VAL  77  25.383  -7.764  -2.453
  597   HG21  VAL  77          HG21      VAL  77  29.254  -8.552  -4.146
  598   HG22  VAL  77          HG22      VAL  77  28.257  -9.851  -3.489
  599   HG23  VAL  77          HG23      VAL  77  27.749  -9.014  -4.971
  600    H    VAL  78           H        VAL  78  27.341  -5.529  -1.282
  601    HA   VAL  78           HA       VAL  78  24.579  -4.779  -1.363
  602    HB   VAL  78           HB       VAL  78  26.837  -3.930   0.487
  603   HG11  VAL  78          HG11      VAL  78  23.837  -3.444   0.796
  604   HG12  VAL  78          HG12      VAL  78  25.043  -3.251   2.086
  605   HG13  VAL  78          HG13      VAL  78  25.104  -2.200   0.675
  606   HG21  VAL  78          HG21      VAL  78  26.181  -6.353   0.517
  607   HG22  VAL  78          HG22      VAL  78  25.800  -5.529   2.031
  608   HG23  VAL  78          HG23      VAL  78  24.507  -5.874   0.858
  609    H    ALA  79           H        ALA  79  27.522  -2.884  -2.009
  610    HA   ALA  79           HA       ALA  79  26.170  -0.355  -2.301
  611    HB1  ALA  79           HB1      ALA  79  28.853  -1.366  -3.336
  612    HB2  ALA  79           HB2      ALA  79  28.360   0.345  -3.185
  613    HB3  ALA  79           HB3      ALA  79  28.555  -0.658  -1.733
  614    H    ALA  80           H        ALA  80  26.880  -3.013  -4.635
  615    HA   ALA  80           HA       ALA  80  26.165  -1.518  -6.983
  616    HB1  ALA  80           HB1      ALA  80  25.973  -4.517  -6.434
  617    HB2  ALA  80           HB2      ALA  80  25.996  -3.724  -8.023
  618    HB3  ALA  80           HB3      ALA  80  27.434  -3.664  -6.980
  619    H    LEU  81           H        LEU  81  24.189  -3.048  -4.484
  620    HA   LEU  81           HA       LEU  81  21.717  -3.222  -5.972
  621    HB2  LEU  81           HB2      LEU  81  21.955  -2.630  -2.998
  622    HB3  LEU  81           HB3      LEU  81  20.619  -3.386  -3.835
  623    HG   LEU  81           HG       LEU  81  23.357  -4.631  -3.470
  624   HD11  LEU  81          HD11      LEU  81  20.791  -5.159  -1.954
  625   HD12  LEU  81          HD12      LEU  81  22.347  -6.008  -1.758
  626   HD13  LEU  81          HD13      LEU  81  22.214  -4.295  -1.328
  627   HD21  LEU  81          HD21      LEU  81  22.116  -5.577  -5.400
  628   HD22  LEU  81          HD22      LEU  81  22.306  -6.746  -4.085
  629   HD23  LEU  81          HD23      LEU  81  20.751  -5.937  -4.313
  630    H    ILE  82           H        ILE  82  23.057  -0.714  -3.826
  631    HA   ILE  82           HA       ILE  82  20.981   1.241  -4.243
  632    HB   ILE  82           HB       ILE  82  23.853   1.602  -3.287
  633   HG12  ILE  82          HG12      ILE  82  21.289   1.258  -1.659
  634   HG13  ILE  82          HG13      ILE  82  22.484  -0.011  -1.910
  635   HG21  ILE  82          HG21      ILE  82  21.425   3.438  -2.994
  636   HG22  ILE  82          HG22      ILE  82  23.027   3.719  -2.281
  637   HG23  ILE  82          HG23      ILE  82  22.840   3.748  -4.020
  638   HD11  ILE  82          HD11      ILE  82  22.923   2.560  -0.363
  639   HD12  ILE  82          HD12      ILE  82  22.872   0.904   0.248
  640   HD13  ILE  82          HD13      ILE  82  24.216   1.411  -0.793
  641    H    GLN  83           H        GLN  83  24.255   0.862  -5.703
  642    HA   GLN  83           HA       GLN  83  24.025   3.197  -7.345
  643    HB2  GLN  83           HB2      GLN  83  25.806   0.734  -7.540
  644    HB3  GLN  83           HB3      GLN  83  25.989   2.157  -8.575
  645    HG2  GLN  83           HG2      GLN  83  26.405   3.605  -6.708
  646    HG3  GLN  83           HG3      GLN  83  26.035   2.355  -5.529
  647   HE21  GLN  83          HE21      GLN  83  29.156   0.612  -5.971
  648   HE22  GLN  83          HE22      GLN  83  27.431   0.326  -5.669
  649    H    THR  84           H        THR  84  22.882  -0.089  -7.892
  650    HA   THR  84           HA       THR  84  22.265   0.168 -10.701
  651    HB   THR  84           HB       THR  84  20.980  -1.516  -8.521
  652    HG1  THR  84           HG1      THR  84  23.057  -2.133  -8.901
  653   HG21  THR  84          HG21      THR  84  20.767  -1.793 -11.527
  654   HG22  THR  84          HG22      THR  84  20.153  -2.923 -10.310
  655   HG23  THR  84          HG23      THR  84  19.431  -1.314 -10.465
  656    H    GLU  85           H        GLU  85  20.282   0.913  -7.712
  657    HA   GLU  85           HA       GLU  85  18.127   1.877  -9.449
  658    HB2  GLU  85           HB2      GLU  85  16.939   2.490  -7.525
  659    HB3  GLU  85           HB3      GLU  85  17.585   0.872  -7.286
  660    HG2  GLU  85           HG2      GLU  85  19.150   1.598  -5.675
  661    HG3  GLU  85           HG3      GLU  85  19.014   3.295  -6.138
  662    H    GLU  86           H        GLU  86  20.866   3.441  -7.771
  663    HA   GLU  86           HA       GLU  86  20.003   6.110  -8.027
  664    HB2  GLU  86           HB2      GLU  86  22.748   4.862  -8.006
  665    HB3  GLU  86           HB3      GLU  86  22.528   6.608  -8.092
  666    HG2  GLU  86           HG2      GLU  86  21.086   5.039  -5.951
  667    HG3  GLU  86           HG3      GLU  86  22.793   5.432  -5.758
  668    H    ALA  87           H        ALA  87  21.366   4.041 -10.565
  669    HA   ALA  87           HA       ALA  87  21.663   6.086 -12.574
  670    HB1  ALA  87           HB1      ALA  87  20.957   3.117 -12.855
  671    HB2  ALA  87           HB2      ALA  87  21.583   4.179 -14.129
  672    HB3  ALA  87           HB3      ALA  87  22.606   3.783 -12.732
  673    H    LEU  88           H        LEU  88  18.882   4.083 -11.533
  674    HA   LEU  88           HA       LEU  88  17.173   5.043 -13.723
  675    HB2  LEU  88           HB2      LEU  88  16.503   3.253 -11.382
  676    HB3  LEU  88           HB3      LEU  88  15.555   3.452 -12.852
  677    HG   LEU  88           HG       LEU  88  18.270   2.086 -12.560
  678   HD11  LEU  88          HD11      LEU  88  15.541   1.038 -13.373
  679   HD12  LEU  88          HD12      LEU  88  17.034   0.093 -13.148
  680   HD13  LEU  88          HD13      LEU  88  16.267   0.870 -11.755
  681   HD21  LEU  88          HD21      LEU  88  18.296   3.126 -14.726
  682   HD22  LEU  88          HD22      LEU  88  17.910   1.421 -14.964
  683   HD23  LEU  88          HD23      LEU  88  16.605   2.620 -15.052
  684    H    ASN  89           H        ASN  89  17.761   5.816 -10.405
  685    HA   ASN  89           HA       ASN  89  15.414   7.189  -9.714
  686    HB2  ASN  89           HB2      ASN  89  18.241   7.068  -8.767
  687    HB3  ASN  89           HB3      ASN  89  17.372   8.472  -8.260
  688   HD21  ASN  89          HD21      ASN  89  16.669   5.051  -6.369
  689   HD22  ASN  89          HD22      ASN  89  17.754   5.168  -7.758
  690    H    ARG  90           H        ARG  90  18.055   8.366 -11.724
  691    HA   ARG  90           HA       ARG  90  16.665  11.004 -12.008
  692    HB2  ARG  90           HB2      ARG  90  19.101  10.788 -11.457
  693    HB3  ARG  90           HB3      ARG  90  19.378  10.150 -13.085
  694    HG2  ARG  90           HG2      ARG  90  18.633  12.278 -14.068
  695    HG3  ARG  90           HG3      ARG  90  18.112  12.868 -12.476
  696    HD2  ARG  90           HD2      ARG  90  20.449  12.765 -11.674
  697    HD3  ARG  90           HD3      ARG  90  20.989  12.199 -13.253
  698    HE   ARG  90           HE       ARG  90  20.145  14.920 -12.477
  699   HH11  ARG  90          HH11      ARG  90  20.929  12.898 -15.241
  700   HH12  ARG  90          HH12      ARG  90  21.205  14.273 -16.274
  701   HH21  ARG  90          HH21      ARG  90  20.510  16.613 -13.849
  702   HH22  ARG  90          HH22      ARG  90  20.972  16.322 -15.500
  703    H    ARG  91           H        ARG  91  16.548   8.044 -13.531
  704    HA   ARG  91           HA       ARG  91  15.993   9.067 -16.291
  705    HB2  ARG  91           HB2      ARG  91  16.007   6.266 -15.103
  706    HB3  ARG  91           HB3      ARG  91  15.581   6.624 -16.776
  707    HG2  ARG  91           HG2      ARG  91  17.788   7.394 -17.293
  708    HG3  ARG  91           HG3      ARG  91  18.283   7.368 -15.606
  709    HD2  ARG  91           HD2      ARG  91  18.883   5.186 -15.754
  710    HD3  ARG  91           HD3      ARG  91  17.278   4.722 -16.222
  711    HE   ARG  91           HE       ARG  91  19.606   5.363 -17.979
  712   HH11  ARG  91          HH11      ARG  91  16.229   4.342 -18.016
  713   HH12  ARG  91          HH12      ARG  91  16.328   3.855 -19.680
  714   HH21  ARG  91          HH21      ARG  91  19.627   4.719 -20.079
  715   HH22  ARG  91          HH22      ARG  91  18.196   4.063 -20.812
  716    H    GLN  92           H        GLN  92  14.301   7.162 -13.818
  717    HA   GLN  92           HA       GLN  92  11.649   8.054 -14.902
  718    HB2  GLN  92           HB2      GLN  92  10.908   5.683 -14.870
  719    HB3  GLN  92           HB3      GLN  92  12.066   6.095 -16.132
  720    HG2  GLN  92           HG2      GLN  92  13.854   4.916 -15.042
  721    HG3  GLN  92           HG3      GLN  92  12.942   4.733 -13.545
  722   HE21  GLN  92          HE21      GLN  92  10.932   2.016 -14.790
  723   HE22  GLN  92          HE22      GLN  92  10.945   3.316 -13.605
  724    H    ILE  93           H        ILE  93  13.293   6.452 -12.142
  725    HA   ILE  93           HA       ILE  93  10.855   6.340 -10.587
  726    HB   ILE  93           HB       ILE  93  13.597   6.363  -9.321
  727   HG12  ILE  93          HG12      ILE  93  12.243   3.999 -10.691
  728   HG13  ILE  93          HG13      ILE  93  13.749   4.763 -11.199
  729   HG21  ILE  93          HG21      ILE  93  11.007   4.935  -8.623
  730   HG22  ILE  93          HG22      ILE  93  12.501   4.934  -7.659
  731   HG23  ILE  93          HG23      ILE  93  11.604   6.424  -7.846
  732   HD11  ILE  93          HD11      ILE  93  13.359   3.119  -8.686
  733   HD12  ILE  93          HD12      ILE  93  14.328   2.737 -10.109
  734   HD13  ILE  93          HD13      ILE  93  14.822   4.072  -9.050
  735    H    ASN  94           H        ASN  94  13.017   8.925 -11.303
  736    HA   ASN  94           HA       ASN  94  12.528  10.768  -9.269
  737    HB2  ASN  94           HB2      ASN  94  13.834  10.800 -11.728
  738    HB3  ASN  94           HB3      ASN  94  12.466  11.825 -12.087
  739   HD21  ASN  94          HD21      ASN  94  15.411  13.068  -9.517
  740   HD22  ASN  94          HD22      ASN  94  15.250  11.364  -9.963
  741    H    GLN  95           H        GLN  95  10.376   9.853 -11.965
  742    HA   GLN  95           HA       GLN  95   8.349  11.859 -11.382
  743    HB2  GLN  95           HB2      GLN  95   8.199   9.272 -12.989
  744    HB3  GLN  95           HB3      GLN  95   6.957  10.525 -12.929
  745    HG2  GLN  95           HG2      GLN  95   8.533  12.162 -13.929
  746    HG3  GLN  95           HG3      GLN  95   9.797  10.933 -13.972
  747   HE21  GLN  95          HE21      GLN  95   8.745  10.005 -17.225
  748   HE22  GLN  95          HE22      GLN  95  10.083  10.354 -16.142
  749    H    ALA  96           H        ALA  96   8.786   8.391 -10.607
  750    HA   ALA  96           HA       ALA  96   6.277   8.028  -9.302
  751    HB1  ALA  96           HB1      ALA  96   8.897   6.503  -8.958
  752    HB2  ALA  96           HB2      ALA  96   7.279   5.931  -8.508
  753    HB3  ALA  96           HB3      ALA  96   7.673   6.203 -10.216
  754    H    LEU  97           H        LEU  97   9.495   8.915  -7.950
  755    HA   LEU  97           HA       LEU  97   8.532   8.948  -5.219
  756    HB2  LEU  97           HB2      LEU  97  10.685   9.687  -4.615
  757    HB3  LEU  97           HB3      LEU  97  10.806   8.457  -5.865
  758    HG   LEU  97           HG       LEU  97  11.066  10.514  -7.486
  759   HD11  LEU  97          HD11      LEU  97  12.042  11.716  -4.857
  760   HD12  LEU  97          HD12      LEU  97  12.346  12.380  -6.475
  761   HD13  LEU  97          HD13      LEU  97  10.706  12.342  -5.842
  762   HD21  LEU  97          HD21      LEU  97  12.796   8.815  -7.075
  763   HD22  LEU  97          HD22      LEU  97  13.530  10.424  -7.139
  764   HD23  LEU  97          HD23      LEU  97  13.266   9.631  -5.571
  765    H    LEU  98           H        LEU  98   8.523  11.325  -7.702
  766    HA   LEU  98           HA       LEU  98   7.899  13.578  -5.916
  767    HB2  LEU  98           HB2      LEU  98   9.301  13.835  -7.931
  768    HB3  LEU  98           HB3      LEU  98   7.948  13.334  -8.947
  769    HG   LEU  98           HG       LEU  98   6.682  15.363  -8.271
  770   HD11  LEU  98          HD11      LEU  98   9.239  16.097  -6.768
  771   HD12  LEU  98          HD12      LEU  98   7.889  17.204  -7.103
  772   HD13  LEU  98          HD13      LEU  98   7.637  15.813  -6.046
  773   HD21  LEU  98          HD21      LEU  98   8.115  15.379 -10.276
  774   HD22  LEU  98          HD22      LEU  98   8.068  16.973  -9.504
  775   HD23  LEU  98          HD23      LEU  98   9.493  15.928  -9.297
  776    H    SER  99           H        SER  99   6.081  11.398  -8.051
  777    HA   SER  99           HA       SER  99   3.616  12.943  -7.815
  778    HB2  SER  99           HB2      SER  99   4.497  11.834  -9.927
  779    HB3  SER  99           HB3      SER  99   3.935  10.297  -9.242
  780    HG   SER  99           HG       SER  99   2.346  11.339 -10.584
  781    H    THR 100           H        THR 100   4.480  12.055  -5.357
  782    HA   THR 100           HA       THR 100   2.897   9.750  -4.464
  783    HB   THR 100           HB       THR 100   3.947  10.286  -2.235
  784    HG1  THR 100           HG1      THR 100   5.613  11.821  -2.266
  785   HG21  THR 100          HG21      THR 100   5.849   9.995  -4.595
  786   HG22  THR 100          HG22      THR 100   6.195   9.566  -2.904
  787   HG23  THR 100          HG23      THR 100   4.956   8.679  -3.810
  788    H    GLY 101           H        GLY 101   1.473  12.157  -5.437
  789    HA2  GLY 101           HA2      GLY 101   0.154  13.487  -3.224
  790    HA3  GLY 101           HA3      GLY 101  -0.264  13.591  -4.933
  791    H    ASP 102           H        ASP 102  -0.242  11.055  -2.436
  792    HA   ASP 102           HA       ASP 102  -1.628   9.407  -1.803
  793    HB2  ASP 102           HB2      ASP 102  -2.955  11.717  -1.474
  794    HB3  ASP 102           HB3      ASP 102  -4.099  10.918  -2.534
  795    H    LEU 103           H        LEU 103  -3.954   8.257  -2.493
  796    HA   LEU 103           HA       LEU 103  -3.467   6.942  -5.050
  797    HB2  LEU 103           HB2      LEU 103  -4.320   5.650  -3.290
  798    HB3  LEU 103           HB3      LEU 103  -5.592   6.809  -2.916
  799    HG   LEU 103           HG       LEU 103  -5.783   5.713  -5.676
  800   HD11  LEU 103          HD11      LEU 103  -6.185   3.932  -3.234
  801   HD12  LEU 103          HD12      LEU 103  -6.694   3.538  -4.891
  802   HD13  LEU 103          HD13      LEU 103  -4.970   3.704  -4.511
  803   HD21  LEU 103          HD21      LEU 103  -7.581   7.081  -4.666
  804   HD22  LEU 103          HD22      LEU 103  -8.145   5.448  -5.037
  805   HD23  LEU 103          HD23      LEU 103  -7.763   5.890  -3.363
  806    H    ALA 104           H        ALA 104  -4.228   7.441  -6.907
  807    HA   ALA 104           HA       ALA 104  -6.787   8.777  -7.275
  808    HB1  ALA 104           HB1      ALA 104  -4.227  10.104  -8.318
  809    HB2  ALA 104           HB2      ALA 104  -5.882  10.710  -8.555
  810    HB3  ALA 104           HB3      ALA 104  -5.171  10.687  -6.932
  811    H    HIS 105           H        HIS 105  -5.637   6.173  -8.061
  812    HA   HIS 105           HA       HIS 105  -6.457   6.180 -10.888
  813    HB2  HIS 105           HB2      HIS 105  -4.004   6.733 -10.942
  814    HB3  HIS 105           HB3      HIS 105  -3.671   5.190 -10.157
  815    HD2  HIS 105           HD2      HIS 105  -5.039   6.671 -13.471
  816    HE1  HIS 105           HE1      HIS 105  -3.976   2.619 -14.289
  817    HE2  HIS 105           HE2      HIS 105  -4.771   4.808 -15.320
  818    H    ASP 106           H        ASP 106  -4.843   4.078  -8.448
  819    HA   ASP 106           HA       ASP 106  -6.206   1.693  -9.345
  820    HB2  ASP 106           HB2      ASP 106  -4.410   2.268  -6.966
  821    HB3  ASP 106           HB3      ASP 106  -4.989   0.660  -7.412
  822    H    GLU 107           H        GLU 107  -8.187   3.474  -8.779
  823    HA   GLU 107           HA       GLU 107  -9.185   3.603  -6.117
  824    HB2  GLU 107           HB2      GLU 107 -10.645   3.887  -8.771
  825    HB3  GLU 107           HB3      GLU 107 -11.264   4.393  -7.195
  826    HG2  GLU 107           HG2      GLU 107  -9.380   5.989  -6.959
  827    HG3  GLU 107           HG3      GLU 107  -8.772   5.520  -8.546
  828    H    PHE 108           H        PHE 108  -9.863   1.189  -8.626
  829    HA   PHE 108           HA       PHE 108 -11.721  -0.248  -6.790
  830    HB2  PHE 108           HB2      PHE 108 -12.224   0.178  -9.741
  831    HB3  PHE 108           HB3      PHE 108 -13.316  -0.507  -8.551
  832    HD1  PHE 108           HD1      PHE 108 -13.456   1.363  -6.354
  833    HD2  PHE 108           HD2      PHE 108 -12.991   2.224 -10.550
  834    HE1  PHE 108           HE1      PHE 108 -14.489   3.593  -6.009
  835    HE2  PHE 108           HE2      PHE 108 -14.007   4.463 -10.202
  836    HZ   PHE 108           HZ       PHE 108 -14.761   5.150  -7.931
  Start of MODEL   11
    1    H1   ALA   1           H1       ALA   1  -1.801  -0.560  -7.673
    2    H2   ALA   1           H2       ALA   1  -2.708  -1.762  -8.318
    3    H3   ALA   1           H3       ALA   1  -2.092  -0.594  -9.286
    4    HA   ALA   1           HA       ALA   1  -0.837  -2.626  -9.546
    5    HB1  ALA   1           HB1      ALA   1   0.762  -0.430  -8.142
    6    HB2  ALA   1           HB2      ALA   1   1.420  -1.698  -9.195
    7    HB3  ALA   1           HB3      ALA   1   0.342  -0.469  -9.870
    8    H    VAL   2           H        VAL   2   0.840  -4.068  -8.590
    9    HA   VAL   2           HA       VAL   2   0.615  -4.498  -5.648
   10    HB   VAL   2           HB       VAL   2   0.466  -6.913  -5.948
   11   HG11  VAL   2          HG11      VAL   2  -1.872  -5.506  -7.283
   12   HG12  VAL   2          HG12      VAL   2  -1.890  -7.067  -6.440
   13   HG13  VAL   2          HG13      VAL   2  -1.573  -5.580  -5.531
   14   HG21  VAL   2          HG21      VAL   2   1.345  -7.139  -8.267
   15   HG22  VAL   2          HG22      VAL   2  -0.220  -7.934  -8.059
   16   HG23  VAL   2          HG23      VAL   2  -0.131  -6.371  -8.890
   17    H    GLU   3           H        GLU   3   2.261  -5.821  -4.743
   18    HA   GLU   3           HA       GLU   3   4.899  -5.304  -6.036
   19    HB2  GLU   3           HB2      GLU   3   5.708  -4.696  -3.860
   20    HB3  GLU   3           HB3      GLU   3   4.309  -3.729  -4.282
   21    HG2  GLU   3           HG2      GLU   3   4.144  -6.161  -2.442
   22    HG3  GLU   3           HG3      GLU   3   4.487  -4.537  -1.875
   23    H    VAL   4           H        VAL   4   3.486  -7.886  -6.204
   24    HA   VAL   4           HA       VAL   4   4.646  -9.653  -4.218
   25    HB   VAL   4           HB       VAL   4   3.192 -10.737  -6.586
   26   HG11  VAL   4          HG11      VAL   4   2.961 -11.283  -3.580
   27   HG12  VAL   4          HG12      VAL   4   2.183 -12.216  -4.876
   28   HG13  VAL   4          HG13      VAL   4   3.937 -12.247  -4.704
   29   HG21  VAL   4          HG21      VAL   4   1.758  -8.855  -6.146
   30   HG22  VAL   4          HG22      VAL   4   0.988 -10.281  -5.470
   31   HG23  VAL   4          HG23      VAL   4   1.819  -9.144  -4.385
   32    H    GLU   5           H        GLU   5   6.556  -8.425  -5.982
   33    HA   GLU   5           HA       GLU   5   8.435  -8.800  -7.234
   34    HB2  GLU   5           HB2      GLU   5   8.394 -11.511  -5.865
   35    HB3  GLU   5           HB3      GLU   5   9.783 -10.731  -6.627
   36    HG2  GLU   5           HG2      GLU   5   9.660  -8.874  -5.002
   37    HG3  GLU   5           HG3      GLU   5   8.280  -9.642  -4.212
   38    H    VAL   6           H        VAL   6   6.124  -9.113  -8.689
   39    HA   VAL   6           HA       VAL   6   5.965 -11.551 -10.117
   40    HB   VAL   6           HB       VAL   6   4.774  -8.846 -10.783
   41   HG11  VAL   6          HG11      VAL   6   4.138 -11.589 -11.958
   42   HG12  VAL   6          HG12      VAL   6   3.170 -10.117 -12.192
   43   HG13  VAL   6          HG13      VAL   6   4.805 -10.196 -12.843
   44   HG21  VAL   6          HG21      VAL   6   3.980  -9.767  -8.657
   45   HG22  VAL   6          HG22      VAL   6   2.712  -9.867  -9.877
   46   HG23  VAL   6          HG23      VAL   6   3.629 -11.325  -9.438
   47    HA   PRO   7           HA       PRO   7   8.414  -9.854 -13.782
   48    HB2  PRO   7           HB2      PRO   7   9.557  -7.428 -13.937
   49    HB3  PRO   7           HB3      PRO   7   7.797  -7.624 -14.156
   50    HG2  PRO   7           HG2      PRO   7   9.260  -6.881 -11.598
   51    HG3  PRO   7           HG3      PRO   7   7.891  -6.005 -12.364
   52    HD2  PRO   7           HD2      PRO   7   7.510  -7.809 -10.359
   53    HD3  PRO   7           HD3      PRO   7   6.350  -7.658 -11.717
   54    H    GLY   8           H        GLY   8  10.681  -9.634 -14.398
   55    HA2  GLY   8           HA2      GLY   8  12.952  -9.007 -13.163
   56    HA3  GLY   8           HA3      GLY   8  12.600 -10.489 -12.281
   57    H    LEU   9           H        LEU   9  14.817  -9.744 -14.184
   58    HA   LEU   9           HA       LEU   9  14.830 -12.308 -15.596
   59    HB2  LEU   9           HB2      LEU   9  15.441 -11.399 -17.792
   60    HB3  LEU   9           HB3      LEU   9  13.810 -11.072 -17.268
   61    HG   LEU   9           HG       LEU   9  14.490  -8.715 -16.708
   62   HD11  LEU   9          HD11      LEU   9  16.993  -9.444 -18.282
   63   HD12  LEU   9          HD12      LEU   9  16.475  -7.788 -17.894
   64   HD13  LEU   9          HD13      LEU   9  16.926  -8.901 -16.598
   65   HD21  LEU   9          HD21      LEU   9  13.284  -9.311 -18.764
   66   HD22  LEU   9          HD22      LEU   9  14.419  -7.986 -19.062
   67   HD23  LEU   9          HD23      LEU   9  14.825  -9.634 -19.585
   68    H    LEU  10           H        LEU  10  16.247 -11.553 -13.314
   69    HA   LEU  10           HA       LEU  10  19.017 -10.963 -13.896
   70    HB2  LEU  10           HB2      LEU  10  17.628 -12.364 -11.590
   71    HB3  LEU  10           HB3      LEU  10  19.362 -12.292 -11.692
   72    HG   LEU  10           HG       LEU  10  17.858  -9.698 -11.920
   73   HD11  LEU  10          HD11      LEU  10  18.383 -11.150  -9.293
   74   HD12  LEU  10          HD12      LEU  10  17.858  -9.457  -9.452
   75   HD13  LEU  10          HD13      LEU  10  16.791 -10.765  -9.983
   76   HD21  LEU  10          HD21      LEU  10  20.353  -9.778 -12.120
   77   HD22  LEU  10          HD22      LEU  10  19.818  -8.813 -10.732
   78   HD23  LEU  10          HD23      LEU  10  20.436 -10.453 -10.468
   79    H    THR  11           H        THR  11  20.297 -12.124 -15.106
   80    HA   THR  11           HA       THR  11  20.158 -15.099 -14.992
   81    HB   THR  11           HB       THR  11  20.852 -13.322 -17.348
   82    HG1  THR  11           HG1      THR  11  19.074 -14.349 -18.249
   83   HG21  THR  11          HG21      THR  11  21.088 -16.347 -17.084
   84   HG22  THR  11          HG22      THR  11  21.114 -15.459 -18.624
   85   HG23  THR  11          HG23      THR  11  22.397 -15.192 -17.443
   86    H    ASP  12           H        ASP  12  21.982 -16.199 -14.652
   87    HA   ASP  12           HA       ASP  12  24.347 -14.892 -13.624
   88    HB2  ASP  12           HB2      ASP  12  25.096 -17.150 -13.182
   89    HB3  ASP  12           HB3      ASP  12  23.464 -16.903 -12.598
   90    H    HIS  13           H        HIS  13  24.531 -13.668 -15.781
   91    HA   HIS  13           HA       HIS  13  25.984 -15.118 -17.897
   92    HB2  HIS  13           HB2      HIS  13  24.573 -12.616 -17.748
   93    HB3  HIS  13           HB3      HIS  13  26.195 -12.281 -18.264
   94    HD2  HIS  13           HD2      HIS  13  22.993 -13.905 -19.453
   95    HE1  HIS  13           HE1      HIS  13  25.795 -14.441 -22.626
   96    HE2  HIS  13           HE2      HIS  13  23.346 -14.651 -21.962
   97    H    THR  14           H        THR  14  27.144 -15.625 -15.528
   98    HA   THR  14           HA       THR  14  29.611 -14.025 -15.481
   99    HB   THR  14           HB       THR  14  29.607 -14.041 -13.051
  100    HG1  THR  14           HG1      THR  14  27.707 -14.621 -11.971
  101   HG21  THR  14          HG21      THR  14  26.978 -12.873 -14.048
  102   HG22  THR  14          HG22      THR  14  27.917 -12.376 -12.628
  103   HG23  THR  14          HG23      THR  14  28.564 -12.100 -14.253
  104    H    VAL  15           H        VAL  15  31.510 -15.109 -15.439
  105    HA   VAL  15           HA       VAL  15  31.479 -18.044 -14.920
  106    HB   VAL  15           HB       VAL  15  32.713 -18.437 -16.996
  107   HG11  VAL  15          HG11      VAL  15  30.059 -17.055 -17.482
  108   HG12  VAL  15          HG12      VAL  15  30.818 -18.325 -18.466
  109   HG13  VAL  15          HG13      VAL  15  30.260 -18.691 -16.821
  110   HG21  VAL  15          HG21      VAL  15  33.675 -16.198 -17.452
  111   HG22  VAL  15          HG22      VAL  15  32.730 -16.798 -18.817
  112   HG23  VAL  15          HG23      VAL  15  32.046 -15.554 -17.751
  113    H    SER  16           H        SER  16  32.481 -16.185 -13.130
  114    HA   SER  16           HA       SER  16  35.319 -17.099 -12.985
  115    HB2  SER  16           HB2      SER  16  36.143 -14.929 -12.340
  116    HB3  SER  16           HB3      SER  16  35.302 -14.794 -13.896
  117    HG   SER  16           HG       SER  16  34.302 -13.286 -13.009
  118    H    SER  17           H        SER  17  36.221 -17.063 -10.744
  119    HA   SER  17           HA       SER  17  34.481 -18.386  -8.989
  120    HB2  SER  17           HB2      SER  17  36.280 -18.052  -7.289
  121    HB3  SER  17           HB3      SER  17  36.867 -18.648  -8.852
  122    HG   SER  17           HG       SER  17  38.178 -16.929  -8.074
  123    H    ILE  18           H        ILE  18  35.457 -14.986  -8.876
  124    HA   ILE  18           HA       ILE  18  33.609 -14.330  -6.672
  125    HB   ILE  18           HB       ILE  18  34.410 -11.907  -7.415
  126   HG12  ILE  18          HG12      ILE  18  36.805 -13.570  -8.306
  127   HG13  ILE  18          HG13      ILE  18  35.614 -12.881  -9.423
  128   HG21  ILE  18          HG21      ILE  18  36.184 -13.849  -5.889
  129   HG22  ILE  18          HG22      ILE  18  36.150 -12.072  -5.728
  130   HG23  ILE  18          HG23      ILE  18  34.755 -13.017  -5.231
  131   HD11  ILE  18          HD11      ILE  18  37.181 -11.149  -7.523
  132   HD12  ILE  18          HD12      ILE  18  37.728 -11.587  -9.160
  133   HD13  ILE  18          HD13      ILE  18  36.229 -10.694  -8.954
  134    H    GLY  19           H        GLY  19  33.659 -13.738 -10.257
  135    HA2  GLY  19           HA2      GLY  19  31.341 -12.012 -10.145
  136    HA3  GLY  19           HA3      GLY  19  31.996 -12.827 -11.570
  137    H    HIS  20           H        HIS  20  31.711 -15.535 -10.367
  138    HA   HIS  20           HA       HIS  20  28.958 -16.202 -10.907
  139    HB2  HIS  20           HB2      HIS  20  30.781 -17.798 -11.189
  140    HB3  HIS  20           HB3      HIS  20  31.131 -17.745  -9.457
  141    HD2  HIS  20           HD2      HIS  20  29.744 -19.318  -7.888
  142    HE1  HIS  20           HE1      HIS  20  26.974 -20.844 -10.753
  143    HE2  HIS  20           HE2      HIS  20  27.839 -21.078  -8.369
  144    H    ASP  21           H        ASP  21  30.793 -15.543  -7.876
  145    HA   ASP  21           HA       ASP  21  28.532 -16.168  -6.144
  146    HB2  ASP  21           HB2      ASP  21  31.244 -14.876  -5.696
  147    HB3  ASP  21           HB3      ASP  21  30.018 -14.986  -4.441
  148    H    PHE  22           H        PHE  22  29.875 -13.145  -7.586
  149    HA   PHE  22           HA       PHE  22  28.269 -11.280  -6.197
  150    HB2  PHE  22           HB2      PHE  22  30.080 -10.725  -7.843
  151    HB3  PHE  22           HB3      PHE  22  29.027 -11.207  -9.150
  152    HD1  PHE  22           HD1      PHE  22  26.906  -9.934  -9.598
  153    HD2  PHE  22           HD2      PHE  22  29.805  -8.525  -6.750
  154    HE1  PHE  22           HE1      PHE  22  25.886  -7.675  -9.692
  155    HE2  PHE  22           HE2      PHE  22  28.830  -6.246  -6.896
  156    HZ   PHE  22           HZ       PHE  22  26.871  -5.826  -8.370
  157    H    TYR  23           H        TYR  23  27.391 -13.210  -9.092
  158    HA   TYR  23           HA       TYR  23  24.806 -12.159  -9.513
  159    HB2  TYR  23           HB2      TYR  23  25.798 -13.747 -11.062
  160    HB3  TYR  23           HB3      TYR  23  25.807 -15.012  -9.825
  161    HD1  TYR  23           HD1      TYR  23  23.921 -16.401  -9.459
  162    HD2  TYR  23           HD2      TYR  23  23.546 -12.838 -11.844
  163    HE1  TYR  23           HE1      TYR  23  21.565 -17.008  -9.985
  164    HE2  TYR  23           HE2      TYR  23  21.176 -13.412 -12.330
  165    HH   TYR  23           HH       TYR  23  19.622 -16.387 -11.067
  166    H    ARG  24           H        ARG  24  25.668 -14.927  -7.408
  167    HA   ARG  24           HA       ARG  24  22.979 -15.351  -6.440
  168    HB2  ARG  24           HB2      ARG  24  25.610 -16.231  -5.156
  169    HB3  ARG  24           HB3      ARG  24  24.000 -16.889  -4.854
  170    HG2  ARG  24           HG2      ARG  24  23.947 -17.505  -7.367
  171    HG3  ARG  24           HG3      ARG  24  25.659 -17.098  -7.400
  172    HD2  ARG  24           HD2      ARG  24  25.528 -19.455  -7.110
  173    HD3  ARG  24           HD3      ARG  24  26.066 -18.759  -5.569
  174    HE   ARG  24           HE       ARG  24  23.170 -19.094  -5.707
  175   HH11  ARG  24          HH11      ARG  24  26.080 -20.943  -5.056
  176   HH12  ARG  24          HH12      ARG  24  25.221 -22.127  -4.111
  177   HH21  ARG  24          HH21      ARG  24  22.146 -20.627  -4.470
  178   HH22  ARG  24          HH22      ARG  24  23.051 -21.948  -3.795
  179    H    ALA  25           H        ALA  25  25.792 -13.711  -5.001
  180    HA   ALA  25           HA       ALA  25  24.498 -12.995  -2.545
  181    HB1  ALA  25           HB1      ALA  25  26.811 -11.626  -3.990
  182    HB2  ALA  25           HB2      ALA  25  26.425 -11.520  -2.255
  183    HB3  ALA  25           HB3      ALA  25  26.974 -13.059  -2.942
  184    H    PHE  26           H        PHE  26  24.802 -11.160  -5.652
  185    HA   PHE  26           HA       PHE  26  23.473  -8.822  -4.702
  186    HB2  PHE  26           HB2      PHE  26  24.818  -8.866  -6.733
  187    HB3  PHE  26           HB3      PHE  26  23.752 -10.021  -7.490
  188    HD1  PHE  26           HD1      PHE  26  24.543  -6.560  -7.165
  189    HD2  PHE  26           HD2      PHE  26  21.224  -9.231  -7.851
  190    HE1  PHE  26           HE1      PHE  26  23.245  -4.708  -8.208
  191    HE2  PHE  26           HE2      PHE  26  19.921  -7.375  -8.806
  192    HZ   PHE  26           HZ       PHE  26  20.921  -5.124  -9.020
  193    H    SER  27           H        SER  27  22.150 -11.703  -6.455
  194    HA   SER  27           HA       SER  27  19.472 -10.712  -6.459
  195    HB2  SER  27           HB2      SER  27  18.790 -12.870  -7.210
  196    HB3  SER  27           HB3      SER  27  20.306 -12.430  -8.018
  197    HG   SER  27           HG       SER  27  20.287 -14.618  -7.243
  198    H    ASP  28           H        ASP  28  21.209 -12.616  -4.020
  199    HA   ASP  28           HA       ASP  28  19.001 -13.317  -2.372
  200    HB2  ASP  28           HB2      ASP  28  21.966 -12.899  -1.938
  201    HB3  ASP  28           HB3      ASP  28  20.921 -13.118  -0.550
  202    H    LYS  29           H        LYS  29  20.784 -10.220  -2.554
  203    HA   LYS  29           HA       LYS  29  18.850  -9.126  -0.543
  204    HB2  LYS  29           HB2      LYS  29  20.739  -7.227  -0.470
  205    HB3  LYS  29           HB3      LYS  29  20.574  -8.536   0.648
  206    HG2  LYS  29           HG2      LYS  29  22.373  -8.760  -1.787
  207    HG3  LYS  29           HG3      LYS  29  22.900  -7.923  -0.337
  208    HD2  LYS  29           HD2      LYS  29  22.111 -10.860  -0.420
  209    HD3  LYS  29           HD3      LYS  29  23.749 -10.214  -0.407
  210    HE2  LYS  29           HE2      LYS  29  23.311  -9.127   1.800
  211    HE3  LYS  29           HE3      LYS  29  21.687  -9.824   1.817
  212    HZ1  LYS  29           HZ1      LYS  29  24.212 -11.415   1.801
  213    HZ2  LYS  29           HZ2      LYS  29  23.242 -11.188   3.092
  214    HZ3  LYS  29           HZ3      LYS  29  22.700 -12.052   1.822
  215    H    TRP  30           H        TRP  30  19.127  -9.130  -3.775
  216    HA   TRP  30           HA       TRP  30  18.592  -6.446  -4.483
  217    HB2  TRP  30           HB2      TRP  30  19.189  -8.159  -6.106
  218    HB3  TRP  30           HB3      TRP  30  17.673  -9.014  -5.807
  219    HD1  TRP  30           HD1      TRP  30  15.940  -8.554  -7.599
  220    HE1  TRP  30           HE1      TRP  30  15.307  -6.620  -9.162
  221    HE3  TRP  30           HE3      TRP  30  19.489  -5.150  -6.159
  222    HZ2  TRP  30           HZ2      TRP  30  16.197  -3.928  -9.687
  223    HZ3  TRP  30           HZ3      TRP  30  19.514  -2.884  -7.137
  224    HH2  TRP  30           HH2      TRP  30  17.900  -2.254  -8.917
  225    H    GLU  31           H        GLU  31  16.906  -5.139  -4.469
  226    HA   GLU  31           HA       GLU  31  14.136  -5.987  -4.274
  227    HB2  GLU  31           HB2      GLU  31  14.849  -6.074  -1.911
  228    HB3  GLU  31           HB3      GLU  31  15.441  -4.421  -1.989
  229    HG2  GLU  31           HG2      GLU  31  12.553  -5.046  -2.665
  230    HG3  GLU  31           HG3      GLU  31  13.067  -5.045  -0.985
  231    H    SER  32           H        SER  32  12.875  -4.447  -5.352
  232    HA   SER  32           HA       SER  32  13.892  -1.714  -5.736
  233    HB2  SER  32           HB2      SER  32  13.832  -1.853  -8.178
  234    HB3  SER  32           HB3      SER  32  15.090  -2.855  -7.464
  235    HG   SER  32           HG       SER  32  13.709  -4.680  -7.781
  236    H    ASP  33           H        ASP  33  12.454  -0.208  -6.512
  237    HA   ASP  33           HA       ASP  33   9.598  -0.865  -6.225
  238    HB2  ASP  33           HB2      ASP  33  10.635   1.091  -5.121
  239    HB3  ASP  33           HB3      ASP  33  11.009   1.780  -6.703
  240    H    TYR  34           H        TYR  34  11.795  -0.121  -8.874
  241    HA   TYR  34           HA       TYR  34   9.675   0.338 -10.842
  242    HB2  TYR  34           HB2      TYR  34  11.336   0.826 -12.362
  243    HB3  TYR  34           HB3      TYR  34  11.995   1.423 -10.862
  244    HD1  TYR  34           HD1      TYR  34  12.637  -0.588 -13.769
  245    HD2  TYR  34           HD2      TYR  34  13.704  -0.126  -9.607
  246    HE1  TYR  34           HE1      TYR  34  14.556  -2.076 -14.100
  247    HE2  TYR  34           HE2      TYR  34  15.642  -1.645  -9.950
  248    HH   TYR  34           HH       TYR  34  16.366  -3.122 -13.133
  249    H    THR  35           H        THR  35  10.390  -1.092 -13.050
  250    HA   THR  35           HA       THR  35   9.061  -3.562 -12.562
  251    HB   THR  35           HB       THR  35  10.466  -3.046 -15.159
  252    HG1  THR  35           HG1      THR  35   8.871  -1.527 -15.711
  253   HG21  THR  35          HG21      THR  35   7.585  -3.806 -14.442
  254   HG22  THR  35          HG22      THR  35   8.265  -3.730 -16.084
  255   HG23  THR  35          HG23      THR  35   8.847  -4.948 -14.948
  256    H    GLY  36           H        GLY  36  12.339  -3.005 -12.023
  257    HA2  GLY  36           HA2      GLY  36  14.036  -4.434 -11.492
  258    HA3  GLY  36           HA3      GLY  36  12.767  -5.652 -11.267
  259    H    ASN  37           H        ASN  37  13.373  -4.320 -14.441
  260    HA   ASN  37           HA       ASN  37  14.089  -7.002 -15.395
  261    HB2  ASN  37           HB2      ASN  37  13.642  -4.444 -16.958
  262    HB3  ASN  37           HB3      ASN  37  13.829  -6.065 -17.629
  263   HD21  ASN  37          HD21      ASN  37  10.527  -7.096 -16.441
  264   HD22  ASN  37          HD22      ASN  37  12.164  -7.726 -16.356
  265    H    LEU  38           H        LEU  38  16.096  -6.901 -14.122
  266    HA   LEU  38           HA       LEU  38  18.338  -5.768 -15.735
  267    HB2  LEU  38           HB2      LEU  38  19.553  -5.157 -13.913
  268    HB3  LEU  38           HB3      LEU  38  17.937  -4.595 -13.529
  269    HG   LEU  38           HG       LEU  38  19.348  -7.047 -12.362
  270   HD11  LEU  38          HD11      LEU  38  18.593  -4.335 -11.241
  271   HD12  LEU  38          HD12      LEU  38  19.110  -5.699 -10.244
  272   HD13  LEU  38          HD13      LEU  38  20.227  -5.030 -11.430
  273   HD21  LEU  38          HD21      LEU  38  16.912  -7.495 -12.401
  274   HD22  LEU  38          HD22      LEU  38  17.492  -7.196 -10.768
  275   HD23  LEU  38          HD23      LEU  38  16.617  -5.911 -11.629
  276    H    THR  39           H        THR  39  20.314  -6.824 -15.850
  277    HA   THR  39           HA       THR  39  20.496  -9.582 -14.762
  278    HB   THR  39           HB       THR  39  19.601  -9.714 -17.082
  279    HG1  THR  39           HG1      THR  39  21.294 -11.290 -17.597
  280   HG21  THR  39          HG21      THR  39  22.396  -8.853 -17.916
  281   HG22  THR  39          HG22      THR  39  21.090  -9.441 -18.966
  282   HG23  THR  39          HG23      THR  39  20.913  -7.888 -18.136
  283    H    ILE  40           H        ILE  40  22.718 -10.475 -14.969
  284    HA   ILE  40           HA       ILE  40  24.711  -8.327 -14.280
  285    HB   ILE  40           HB       ILE  40  24.223 -11.002 -12.951
  286   HG12  ILE  40          HG12      ILE  40  24.027  -8.219 -11.706
  287   HG13  ILE  40          HG13      ILE  40  22.632  -9.053 -12.376
  288   HG21  ILE  40          HG21      ILE  40  26.299  -8.920 -12.113
  289   HG22  ILE  40          HG22      ILE  40  26.057 -10.567 -11.470
  290   HG23  ILE  40          HG23      ILE  40  26.696 -10.354 -13.075
  291   HD11  ILE  40          HD11      ILE  40  24.318 -10.062 -10.066
  292   HD12  ILE  40          HD12      ILE  40  22.672  -9.404 -10.012
  293   HD13  ILE  40          HD13      ILE  40  22.955 -10.940 -10.823
  294    H    ASN  41           H        ASN  41  26.524  -8.412 -15.375
  295    HA   ASN  41           HA       ASN  41  27.248 -10.873 -16.898
  296    HB2  ASN  41           HB2      ASN  41  27.745  -8.015 -17.797
  297    HB3  ASN  41           HB3      ASN  41  27.853  -9.487 -18.749
  298   HD21  ASN  41          HD21      ASN  41  24.242  -7.568 -18.267
  299   HD22  ASN  41          HD22      ASN  41  25.626  -7.154 -17.263
  300    H    GLU  42           H        GLU  42  29.452 -11.484 -16.760
  301    HA   GLU  42           HA       GLU  42  31.264  -9.421 -15.629
  302    HB2  GLU  42           HB2      GLU  42  32.387 -10.778 -14.166
  303    HB3  GLU  42           HB3      GLU  42  30.704 -11.168 -13.910
  304    HG2  GLU  42           HG2      GLU  42  31.485 -13.295 -13.967
  305    HG3  GLU  42           HG3      GLU  42  31.300 -13.073 -15.711
  306    H    ARG  43           H        ARG  43  33.422  -9.402 -16.206
  307    HA   ARG  43           HA       ARG  43  34.191 -11.090 -18.535
  308    HB2  ARG  43           HB2      ARG  43  33.920  -8.663 -19.134
  309    HB3  ARG  43           HB3      ARG  43  35.124  -8.263 -17.917
  310    HG2  ARG  43           HG2      ARG  43  36.281  -8.253 -19.978
  311    HG3  ARG  43           HG3      ARG  43  36.774  -9.750 -19.185
  312    HD2  ARG  43           HD2      ARG  43  35.027 -10.962 -20.582
  313    HD3  ARG  43           HD3      ARG  43  34.710  -9.425 -21.409
  314    HE   ARG  43           HE       ARG  43  37.507  -9.944 -21.523
  315   HH11  ARG  43          HH11      ARG  43  34.577 -11.271 -22.931
  316   HH12  ARG  43          HH12      ARG  43  35.420 -11.884 -24.326
  317   HH21  ARG  43          HH21      ARG  43  38.514 -10.750 -23.331
  318   HH22  ARG  43          HH22      ARG  43  37.592 -11.588 -24.544
  319    HA   PRO  44           HA       PRO  44  37.062 -12.406 -15.355
  320    HB2  PRO  44           HB2      PRO  44  38.049 -14.620 -16.580
  321    HB3  PRO  44           HB3      PRO  44  36.380 -14.544 -15.958
  322    HG2  PRO  44           HG2      PRO  44  37.342 -14.128 -18.802
  323    HG3  PRO  44           HG3      PRO  44  35.966 -15.132 -18.230
  324    HD2  PRO  44           HD2      PRO  44  35.667 -12.573 -19.174
  325    HD3  PRO  44           HD3      PRO  44  34.599 -13.277 -17.933
  326    H    SER  45           H        SER  45  38.943 -11.391 -14.993
  327    HA   SER  45           HA       SER  45  40.794 -10.728 -17.249
  328    HB2  SER  45           HB2      SER  45  39.610  -8.833 -15.189
  329    HB3  SER  45           HB3      SER  45  40.933  -8.434 -16.304
  330    HG   SER  45           HG       SER  45  38.985  -7.765 -17.234
  331    H    ALA  46           H        ALA  46  42.218 -12.298 -16.532
  332    HA   ALA  46           HA       ALA  46  42.910 -12.829 -13.893
  333    HB1  ALA  46           HB1      ALA  46  44.510 -13.335 -16.442
  334    HB2  ALA  46           HB2      ALA  46  44.702 -14.206 -14.905
  335    HB3  ALA  46           HB3      ALA  46  43.191 -14.357 -15.819
  336    H    ARG  47           H        ARG  47  43.993 -10.106 -15.607
  337    HA   ARG  47           HA       ARG  47  46.411  -9.410 -14.284
  338    HB2  ARG  47           HB2      ARG  47  45.804  -7.111 -14.710
  339    HB3  ARG  47           HB3      ARG  47  45.367  -8.099 -16.100
  340    HG2  ARG  47           HG2      ARG  47  42.985  -8.150 -15.230
  341    HG3  ARG  47           HG3      ARG  47  43.461  -7.009 -13.972
  342    HD2  ARG  47           HD2      ARG  47  43.714  -6.483 -16.960
  343    HD3  ARG  47           HD3      ARG  47  42.337  -5.988 -15.959
  344    HE   ARG  47           HE       ARG  47  44.720  -4.996 -14.747
  345   HH11  ARG  47          HH11      ARG  47  42.781  -4.338 -17.597
  346   HH12  ARG  47          HH12      ARG  47  43.257  -2.665 -17.645
  347   HH21  ARG  47          HH21      ARG  47  45.297  -2.852 -14.879
  348   HH22  ARG  47          HH22      ARG  47  44.649  -1.852 -16.144
  349    H    ALA  48           H        ALA  48  43.133  -9.557 -12.952
  350    HA   ALA  48           HA       ALA  48  44.251  -9.540 -10.271
  351    HB1  ALA  48           HB1      ALA  48  42.359  -7.267 -10.998
  352    HB2  ALA  48           HB2      ALA  48  43.045  -7.609  -9.402
  353    HB3  ALA  48           HB3      ALA  48  44.103  -7.077 -10.714
  354    H    GLY  49           H        GLY  49  41.263  -9.776 -12.297
  355    HA2  GLY  49           HA2      GLY  49  39.990 -11.706 -10.695
  356    HA3  GLY  49           HA3      GLY  49  39.472 -10.145 -10.069
  357    H    SER  50           H        SER  50  37.590  -9.380 -10.942
  358    HA   SER  50           HA       SER  50  36.916 -10.032 -13.768
  359    HB2  SER  50           HB2      SER  50  34.579 -10.499 -13.086
  360    HB3  SER  50           HB3      SER  50  35.753 -11.746 -12.621
  361    HG   SER  50           HG       SER  50  34.321 -11.296 -10.927
  362    H    TRP  51           H        TRP  51  35.711  -8.618 -14.883
  363    HA   TRP  51           HA       TRP  51  34.944  -6.046 -13.558
  364    HB2  TRP  51           HB2      TRP  51  35.747  -6.802 -16.298
  365    HB3  TRP  51           HB3      TRP  51  34.300  -5.809 -16.228
  366    HD1  TRP  51           HD1      TRP  51  37.989  -5.548 -16.068
  367    HE1  TRP  51           HE1      TRP  51  38.728  -3.169 -15.468
  368    HE3  TRP  51           HE3      TRP  51  33.451  -3.647 -14.638
  369    HZ2  TRP  51           HZ2      TRP  51  37.474  -0.695 -14.625
  370    HZ3  TRP  51           HZ3      TRP  51  33.262  -1.259 -13.957
  371    HH2  TRP  51           HH2      TRP  51  35.235   0.221 -13.982
  372    H    ILE  52           H        ILE  52  32.976  -5.897 -12.772
  373    HA   ILE  52           HA       ILE  52  30.816  -7.708 -13.744
  374    HB   ILE  52           HB       ILE  52  30.899  -5.942 -11.266
  375   HG12  ILE  52          HG12      ILE  52  32.591  -7.611 -10.938
  376   HG13  ILE  52          HG13      ILE  52  31.187  -8.003  -9.959
  377   HG21  ILE  52          HG21      ILE  52  28.946  -8.117 -12.162
  378   HG22  ILE  52          HG22      ILE  52  28.993  -7.389 -10.543
  379   HG23  ILE  52          HG23      ILE  52  28.609  -6.384 -11.932
  380   HD11  ILE  52          HD11      ILE  52  31.867  -9.302 -12.634
  381   HD12  ILE  52          HD12      ILE  52  32.219  -9.995 -11.058
  382   HD13  ILE  52          HD13      ILE  52  30.527  -9.774 -11.566
  383    H    THR  53           H        THR  53  29.159  -6.953 -14.845
  384    HA   THR  53           HA       THR  53  28.634  -4.004 -14.994
  385    HB   THR  53           HB       THR  53  28.751  -5.866 -17.399
  386    HG1  THR  53           HG1      THR  53  30.672  -4.792 -17.891
  387   HG21  THR  53          HG21      THR  53  28.697  -2.820 -17.271
  388   HG22  THR  53          HG22      THR  53  28.604  -3.832 -18.721
  389   HG23  THR  53          HG23      THR  53  27.248  -3.812 -17.580
  390    H    ILE  54           H        ILE  54  26.587  -3.658 -14.400
  391    HA   ILE  54           HA       ILE  54  24.565  -5.810 -14.845
  392    HB   ILE  54           HB       ILE  54  24.717  -5.429 -12.593
  393   HG12  ILE  54          HG12      ILE  54  22.387  -5.607 -13.434
  394   HG13  ILE  54          HG13      ILE  54  22.590  -4.849 -11.868
  395   HG21  ILE  54          HG21      ILE  54  24.613  -2.455 -13.116
  396   HG22  ILE  54          HG22      ILE  54  24.364  -3.182 -11.509
  397   HG23  ILE  54          HG23      ILE  54  25.905  -3.409 -12.348
  398   HD11  ILE  54          HD11      ILE  54  21.847  -3.436 -14.461
  399   HD12  ILE  54          HD12      ILE  54  20.896  -3.616 -13.005
  400   HD13  ILE  54          HD13      ILE  54  22.321  -2.589 -12.971
  401    H    THR  55           H        THR  55  23.017  -5.595 -16.214
  402    HA   THR  55           HA       THR  55  22.642  -2.974 -17.580
  403    HB   THR  55           HB       THR  55  22.079  -4.377 -19.617
  404    HG1  THR  55           HG1      THR  55  22.569  -6.486 -19.605
  405   HG21  THR  55          HG21      THR  55  24.914  -4.605 -18.489
  406   HG22  THR  55          HG22      THR  55  24.455  -4.969 -20.163
  407   HG23  THR  55          HG23      THR  55  24.281  -3.326 -19.550
  408    H    VAL  56           H        VAL  56  20.609  -2.268 -17.972
  409    HA   VAL  56           HA       VAL  56  18.312  -3.882 -16.924
  410    HB   VAL  56           HB       VAL  56  18.721  -0.895 -17.139
  411   HG11  VAL  56          HG11      VAL  56  16.058  -2.365 -16.799
  412   HG12  VAL  56          HG12      VAL  56  16.329  -0.648 -16.418
  413   HG13  VAL  56          HG13      VAL  56  16.489  -1.206 -18.084
  414   HG21  VAL  56          HG21      VAL  56  19.358  -2.246 -15.087
  415   HG22  VAL  56          HG22      VAL  56  18.102  -1.028 -14.776
  416   HG23  VAL  56          HG23      VAL  56  17.663  -2.738 -14.941
  417    H    ASN  57           H        ASN  57  17.236  -4.879 -18.327
  418    HA   ASN  57           HA       ASN  57  16.583  -5.861 -20.248
  419    HB2  ASN  57           HB2      ASN  57  16.248  -3.022 -21.292
  420    HB3  ASN  57           HB3      ASN  57  15.626  -4.477 -22.050
  421   HD21  ASN  57          HD21      ASN  57  13.476  -2.800 -19.127
  422   HD22  ASN  57          HD22      ASN  57  14.914  -2.043 -19.799
  423    H    GLN  58           H        GLN  58  18.391  -3.169 -21.694
  424    HA   GLN  58           HA       GLN  58  20.472  -4.980 -22.771
  425    HB2  GLN  58           HB2      GLN  58  20.149  -4.136 -25.063
  426    HB3  GLN  58           HB3      GLN  58  18.751  -5.027 -24.473
  427    HG2  GLN  58           HG2      GLN  58  17.498  -2.970 -24.083
  428    HG3  GLN  58           HG3      GLN  58  18.908  -1.980 -24.456
  429   HE21  GLN  58          HE21      GLN  58  18.576  -2.422 -28.023
  430   HE22  GLN  58          HE22      GLN  58  19.737  -2.049 -26.757
  431    H    ASP  59           H        ASP  59  19.986  -2.356 -20.969
  432    HA   ASP  59           HA       ASP  59  22.146  -0.662 -22.197
  433    HB2  ASP  59           HB2      ASP  59  19.676   0.051 -20.573
  434    HB3  ASP  59           HB3      ASP  59  20.992   1.173 -20.879
  435    H    VAL  60           H        VAL  60  23.968  -0.307 -21.001
  436    HA   VAL  60           HA       VAL  60  24.177  -1.460 -18.319
  437    HB   VAL  60           HB       VAL  60  26.100  -1.584 -19.764
  438   HG11  VAL  60          HG11      VAL  60  26.306   1.453 -19.640
  439   HG12  VAL  60          HG12      VAL  60  27.486   0.340 -20.354
  440   HG13  VAL  60          HG13      VAL  60  25.883   0.499 -21.080
  441   HG21  VAL  60          HG21      VAL  60  26.443  -1.463 -17.295
  442   HG22  VAL  60          HG22      VAL  60  27.819  -0.854 -18.234
  443   HG23  VAL  60          HG23      VAL  60  26.731   0.289 -17.445
  444    H    ILE  61           H        ILE  61  24.139  -0.552 -16.395
  445    HA   ILE  61           HA       ILE  61  23.788   2.424 -16.198
  446    HB   ILE  61           HB       ILE  61  22.265   1.911 -14.254
  447   HG12  ILE  61          HG12      ILE  61  21.641  -0.710 -15.614
  448   HG13  ILE  61          HG13      ILE  61  22.785  -0.618 -14.266
  449   HG21  ILE  61          HG21      ILE  61  21.220   1.247 -17.029
  450   HG22  ILE  61          HG22      ILE  61  20.289   1.925 -15.671
  451   HG23  ILE  61          HG23      ILE  61  21.561   2.885 -16.422
  452   HD11  ILE  61          HD11      ILE  61  19.915   0.392 -14.120
  453   HD12  ILE  61          HD12      ILE  61  20.486  -1.158 -13.517
  454   HD13  ILE  61          HD13      ILE  61  21.106   0.342 -12.804
  455    H    PHE  62           H        PHE  62  25.215  -0.477 -14.761
  456    HA   PHE  62           HA       PHE  62  26.991   1.280 -13.268
  457    HB2  PHE  62           HB2      PHE  62  25.302   1.121 -11.600
  458    HB3  PHE  62           HB3      PHE  62  25.069  -0.594 -11.847
  459    HD1  PHE  62           HD1      PHE  62  26.376  -2.167 -10.497
  460    HD2  PHE  62           HD2      PHE  62  27.582   1.969 -10.739
  461    HE1  PHE  62           HE1      PHE  62  28.246  -2.615  -8.913
  462    HE2  PHE  62           HE2      PHE  62  29.406   1.521  -9.120
  463    HZ   PHE  62           HZ       PHE  62  29.734  -0.767  -8.211
  464    H    GLN  63           H        GLN  63  28.918   0.315 -12.694
  465    HA   GLN  63           HA       GLN  63  29.391  -2.489 -13.130
  466    HB2  GLN  63           HB2      GLN  63  31.053  -2.258 -14.948
  467    HB3  GLN  63           HB3      GLN  63  29.422  -1.836 -15.446
  468    HG2  GLN  63           HG2      GLN  63  29.987   0.591 -15.241
  469    HG3  GLN  63           HG3      GLN  63  31.652   0.149 -14.847
  470   HE21  GLN  63          HE21      GLN  63  32.287  -1.076 -18.250
  471   HE22  GLN  63          HE22      GLN  63  32.603  -1.556 -16.591
  472    H    THR  64           H        THR  64  31.363  -3.225 -12.312
  473    HA   THR  64           HA       THR  64  33.284  -1.362 -11.094
  474    HB   THR  64           HB       THR  64  31.466  -1.371  -9.469
  475    HG1  THR  64           HG1      THR  64  32.787  -1.760  -7.737
  476   HG21  THR  64          HG21      THR  64  32.005  -4.345  -9.039
  477   HG22  THR  64          HG22      THR  64  30.829  -3.316  -8.189
  478   HG23  THR  64          HG23      THR  64  30.579  -3.706  -9.888
  479    H    PHE  65           H        PHE  65  35.101  -2.476 -10.061
  480    HA   PHE  65           HA       PHE  65  35.692  -5.041 -11.457
  481    HB2  PHE  65           HB2      PHE  65  37.011  -2.957 -11.985
  482    HB3  PHE  65           HB3      PHE  65  37.624  -2.990 -10.339
  483    HD1  PHE  65           HD1      PHE  65  37.119  -5.622 -13.006
  484    HD2  PHE  65           HD2      PHE  65  39.904  -3.578 -10.440
  485    HE1  PHE  65           HE1      PHE  65  38.943  -7.031 -13.888
  486    HE2  PHE  65           HE2      PHE  65  41.750  -4.953 -11.361
  487    HZ   PHE  65           HZ       PHE  65  41.269  -6.684 -13.096
  488    H    LEU  66           H        LEU  66  35.721  -6.824 -10.280
  489    HA   LEU  66           HA       LEU  66  35.772  -6.701  -7.326
  490    HB2  LEU  66           HB2      LEU  66  34.864  -8.720  -9.356
  491    HB3  LEU  66           HB3      LEU  66  35.265  -9.243  -7.729
  492    HG   LEU  66           HG       LEU  66  33.090  -7.253  -8.410
  493   HD11  LEU  66          HD11      LEU  66  32.946 -10.080  -7.250
  494   HD12  LEU  66          HD12      LEU  66  31.620  -9.065  -7.848
  495   HD13  LEU  66          HD13      LEU  66  32.800  -9.745  -8.974
  496   HD21  LEU  66          HD21      LEU  66  33.954  -6.748  -6.158
  497   HD22  LEU  66          HD22      LEU  66  32.427  -7.634  -6.006
  498   HD23  LEU  66          HD23      LEU  66  33.969  -8.471  -5.743
  499    H    PHE  67           H        PHE  67  37.148  -7.834  -6.074
  500    HA   PHE  67           HA       PHE  67  39.574  -9.065  -7.326
  501    HB2  PHE  67           HB2      PHE  67  39.336  -7.426  -4.791
  502    HB3  PHE  67           HB3      PHE  67  40.785  -8.282  -5.297
  503    HD1  PHE  67           HD1      PHE  67  42.239  -7.395  -7.030
  504    HD2  PHE  67           HD2      PHE  67  38.542  -5.409  -6.032
  505    HE1  PHE  67           HE1      PHE  67  42.977  -5.378  -8.282
  506    HE2  PHE  67           HE2      PHE  67  39.273  -3.409  -7.306
  507    HZ   PHE  67           HZ       PHE  67  41.497  -3.387  -8.423
  508    HA   PRO  68           HA       PRO  68  38.191 -12.585  -4.910
  509    HB2  PRO  68           HB2      PRO  68  40.100 -14.399  -5.581
  510    HB3  PRO  68           HB3      PRO  68  38.907 -13.779  -6.764
  511    HG2  PRO  68           HG2      PRO  68  41.753 -12.791  -6.316
  512    HG3  PRO  68           HG3      PRO  68  40.972 -13.242  -7.871
  513    HD2  PRO  68           HD2      PRO  68  41.128 -10.674  -7.005
  514    HD3  PRO  68           HD3      PRO  68  39.708 -11.292  -7.911
  515    H    LEU  69           H        LEU  69  41.542 -11.398  -4.547
  516    HA   LEU  69           HA       LEU  69  42.012 -12.822  -2.040
  517    HB2  LEU  69           HB2      LEU  69  43.714 -12.477  -3.733
  518    HB3  LEU  69           HB3      LEU  69  43.613 -10.729  -3.582
  519    HG   LEU  69           HG       LEU  69  44.309 -12.374  -1.130
  520   HD11  LEU  69          HD11      LEU  69  46.257 -11.625  -3.353
  521   HD12  LEU  69          HD12      LEU  69  46.696 -12.289  -1.762
  522   HD13  LEU  69          HD13      LEU  69  45.764 -13.271  -2.898
  523   HD21  LEU  69          HD21      LEU  69  44.073  -9.887  -0.890
  524   HD22  LEU  69          HD22      LEU  69  45.732 -10.413  -0.619
  525   HD23  LEU  69          HD23      LEU  69  45.285  -9.661  -2.164
  526    H    LYS  70           H        LYS  70  41.024  -9.573  -2.959
  527    HA   LYS  70           HA       LYS  70  41.358  -8.465  -0.251
  528    HB2  LYS  70           HB2      LYS  70  41.838  -7.197  -2.369
  529    HB3  LYS  70           HB3      LYS  70  40.102  -7.173  -2.700
  530    HG2  LYS  70           HG2      LYS  70  39.704  -5.875  -0.641
  531    HG3  LYS  70           HG3      LYS  70  41.426  -5.990  -0.220
  532    HD2  LYS  70           HD2      LYS  70  42.010  -4.733  -2.280
  533    HD3  LYS  70           HD3      LYS  70  40.287  -4.623  -2.705
  534    HE2  LYS  70           HE2      LYS  70  39.844  -3.376  -0.603
  535    HE3  LYS  70           HE3      LYS  70  41.548  -3.514  -0.149
  536    HZ1  LYS  70           HZ1      LYS  70  40.544  -2.059  -2.552
  537    HZ2  LYS  70           HZ2      LYS  70  41.081  -1.359  -1.179
  538    HZ3  LYS  70           HZ3      LYS  70  42.119  -2.188  -2.123
  539    H    ARG  71           H        ARG  71  39.711  -7.720   1.086
  540    HA   ARG  71           HA       ARG  71  37.308  -9.422   1.005
  541    HB2  ARG  71           HB2      ARG  71  37.182  -9.155   3.361
  542    HB3  ARG  71           HB3      ARG  71  38.828  -9.546   2.884
  543    HG2  ARG  71           HG2      ARG  71  39.355  -7.032   3.065
  544    HG3  ARG  71           HG3      ARG  71  37.771  -6.847   3.826
  545    HD2  ARG  71           HD2      ARG  71  40.046  -8.634   4.792
  546    HD3  ARG  71           HD3      ARG  71  39.631  -7.071   5.473
  547    HE   ARG  71           HE       ARG  71  38.115  -9.624   5.724
  548   HH11  ARG  71          HH11      ARG  71  38.293  -6.263   6.719
  549   HH12  ARG  71          HH12      ARG  71  37.179  -6.505   8.036
  550   HH21  ARG  71          HH21      ARG  71  36.698  -9.855   7.401
  551   HH22  ARG  71          HH22      ARG  71  36.297  -8.494   8.405
  552    H    ASP  72           H        ASP  72  37.382  -6.886  -0.613
  553    HA   ASP  72           HA       ASP  72  35.229  -5.273   0.544
  554    HB2  ASP  72           HB2      ASP  72  35.353  -3.925  -1.381
  555    HB3  ASP  72           HB3      ASP  72  36.988  -4.288  -0.888
  556    H    PHE  73           H        PHE  73  35.251  -8.182  -1.358
  557    HA   PHE  73           HA       PHE  73  33.325  -7.880  -3.234
  558    HB2  PHE  73           HB2      PHE  73  34.513  -9.912  -3.068
  559    HB3  PHE  73           HB3      PHE  73  33.935 -10.255  -1.445
  560    HD1  PHE  73           HD1      PHE  73  33.238 -10.594  -5.005
  561    HD2  PHE  73           HD2      PHE  73  31.556 -10.991  -1.049
  562    HE1  PHE  73           HE1      PHE  73  31.321 -11.864  -5.944
  563    HE2  PHE  73           HE2      PHE  73  29.637 -12.238  -1.991
  564    HZ   PHE  73           HZ       PHE  73  29.492 -12.637  -4.418
  565    H    GLU  74           H        GLU  74  32.446  -8.719   0.160
  566    HA   GLU  74           HA       GLU  74  29.631  -8.798  -0.285
  567    HB2  GLU  74           HB2      GLU  74  31.058  -9.566   1.736
  568    HB3  GLU  74           HB3      GLU  74  30.939  -7.894   2.299
  569    HG2  GLU  74           HG2      GLU  74  28.443  -8.087   2.236
  570    HG3  GLU  74           HG3      GLU  74  28.606  -9.754   1.672
  571    H    LYS  75           H        LYS  75  31.761  -6.119   0.567
  572    HA   LYS  75           HA       LYS  75  29.673  -4.141   1.015
  573    HB2  LYS  75           HB2      LYS  75  32.672  -3.716   0.464
  574    HB3  LYS  75           HB3      LYS  75  31.507  -2.521   1.032
  575    HG2  LYS  75           HG2      LYS  75  32.232  -3.103   3.096
  576    HG3  LYS  75           HG3      LYS  75  31.063  -4.406   2.926
  577    HD2  LYS  75           HD2      LYS  75  33.155  -5.707   1.852
  578    HD3  LYS  75           HD3      LYS  75  34.080  -4.455   2.698
  579    HE2  LYS  75           HE2      LYS  75  32.747  -5.106   4.806
  580    HE3  LYS  75           HE3      LYS  75  32.106  -6.468   3.875
  581    HZ1  LYS  75           HZ1      LYS  75  34.964  -5.980   4.572
  582    HZ2  LYS  75           HZ2      LYS  75  34.032  -7.219   5.090
  583    HZ3  LYS  75           HZ3      LYS  75  34.515  -7.148   3.516
  584    H    THR  76           H        THR  76  31.839  -4.894  -1.710
  585    HA   THR  76           HA       THR  76  30.779  -3.033  -3.592
  586    HB   THR  76           HB       THR  76  32.199  -5.698  -3.935
  587    HG1  THR  76           HG1      THR  76  33.922  -4.460  -3.860
  588   HG21  THR  76          HG21      THR  76  31.428  -3.593  -6.002
  589   HG22  THR  76          HG22      THR  76  32.738  -4.777  -6.250
  590   HG23  THR  76          HG23      THR  76  31.069  -5.332  -6.051
  591    H    VAL  77           H        VAL  77  29.662  -6.378  -2.835
  592    HA   VAL  77           HA       VAL  77  27.547  -6.424  -4.799
  593    HB   VAL  77           HB       VAL  77  27.918  -7.893  -2.170
  594   HG11  VAL  77          HG11      VAL  77  25.658  -8.205  -4.190
  595   HG12  VAL  77          HG12      VAL  77  26.030  -9.355  -2.887
  596   HG13  VAL  77          HG13      VAL  77  25.482  -7.742  -2.479
  597   HG21  VAL  77          HG21      VAL  77  29.352  -8.489  -4.195
  598   HG22  VAL  77          HG22      VAL  77  28.362  -9.801  -3.558
  599   HG23  VAL  77          HG23      VAL  77  27.848  -8.943  -5.025
  600    H    VAL  78           H        VAL  78  27.438  -5.506  -1.291
  601    HA   VAL  78           HA       VAL  78  24.671  -4.776  -1.341
  602    HB   VAL  78           HB       VAL  78  26.943  -3.932   0.492
  603   HG11  VAL  78          HG11      VAL  78  23.948  -3.443   0.836
  604   HG12  VAL  78          HG12      VAL  78  25.167  -3.265   2.116
  605   HG13  VAL  78          HG13      VAL  78  25.218  -2.202   0.713
  606   HG21  VAL  78          HG21      VAL  78  26.278  -6.355   0.506
  607   HG22  VAL  78          HG22      VAL  78  25.927  -5.543   2.032
  608   HG23  VAL  78          HG23      VAL  78  24.613  -5.873   0.878
  609    H    ALA  79           H        ALA  79  27.590  -2.852  -2.013
  610    HA   ALA  79           HA       ALA  79  26.214  -0.330  -2.252
  611    HB1  ALA  79           HB1      ALA  79  28.887  -1.314  -3.341
  612    HB2  ALA  79           HB2      ALA  79  28.389   0.392  -3.162
  613    HB3  ALA  79           HB3      ALA  79  28.612  -0.626  -1.726
  614    H    ALA  80           H        ALA  80  26.906  -2.952  -4.623
  615    HA   ALA  80           HA       ALA  80  26.151  -1.448  -6.951
  616    HB1  ALA  80           HB1      ALA  80  25.966  -4.452  -6.418
  617    HB2  ALA  80           HB2      ALA  80  25.991  -3.649  -8.001
  618    HB3  ALA  80           HB3      ALA  80  27.428  -3.600  -6.953
  619    H    LEU  81           H        LEU  81  24.221  -3.018  -4.440
  620    HA   LEU  81           HA       LEU  81  21.733  -3.222  -5.894
  621    HB2  LEU  81           HB2      LEU  81  22.009  -2.641  -2.920
  622    HB3  LEU  81           HB3      LEU  81  20.664  -3.404  -3.740
  623    HG   LEU  81           HG       LEU  81  23.419  -4.627  -3.433
  624   HD11  LEU  81          HD11      LEU  81  20.882  -5.188  -1.880
  625   HD12  LEU  81          HD12      LEU  81  22.450  -6.020  -1.710
  626   HD13  LEU  81          HD13      LEU  81  22.301  -4.310  -1.271
  627   HD21  LEU  81          HD21      LEU  81  22.160  -5.568  -5.349
  628   HD22  LEU  81          HD22      LEU  81  22.359  -6.746  -4.042
  629   HD23  LEU  81          HD23      LEU  81  20.803  -5.932  -4.256
  630    H    ILE  82           H        ILE  82  23.049  -0.706  -3.746
  631    HA   ILE  82           HA       ILE  82  20.940   1.221  -4.133
  632    HB   ILE  82           HB       ILE  82  23.818   1.610  -3.206
  633   HG12  ILE  82          HG12      ILE  82  21.269   1.253  -1.556
  634   HG13  ILE  82          HG13      ILE  82  22.469  -0.010  -1.817
  635   HG21  ILE  82          HG21      ILE  82  21.379   3.431  -2.902
  636   HG22  ILE  82          HG22      ILE  82  22.982   3.723  -2.192
  637   HG23  ILE  82          HG23      ILE  82  22.792   3.749  -3.932
  638   HD11  ILE  82          HD11      ILE  82  22.909   2.563  -0.274
  639   HD12  ILE  82          HD12      ILE  82  22.871   0.906   0.336
  640   HD13  ILE  82          HD13      ILE  82  24.203   1.420  -0.717
  641    H    GLN  83           H        GLN  83  24.199   0.878  -5.643
  642    HA   GLN  83           HA       GLN  83  23.910   3.221  -7.263
  643    HB2  GLN  83           HB2      GLN  83  25.736   0.800  -7.489
  644    HB3  GLN  83           HB3      GLN  83  25.877   2.234  -8.519
  645    HG2  GLN  83           HG2      GLN  83  26.254   3.685  -6.641
  646    HG3  GLN  83           HG3      GLN  83  25.926   2.418  -5.471
  647   HE21  GLN  83          HE21      GLN  83  29.099   0.768  -5.939
  648   HE22  GLN  83          HE22      GLN  83  27.387   0.438  -5.606
  649    H    THR  84           H        THR  84  22.807  -0.072  -7.824
  650    HA   THR  84           HA       THR  84  22.143   0.197 -10.614
  651    HB   THR  84           HB       THR  84  20.868  -1.501  -8.440
  652    HG1  THR  84           HG1      THR  84  22.980  -2.081  -8.793
  653   HG21  THR  84          HG21      THR  84  20.734  -1.810 -11.447
  654   HG22  THR  84          HG22      THR  84  20.091  -2.924 -10.232
  655   HG23  THR  84          HG23      THR  84  19.366  -1.321 -10.430
  656    H    GLU  85           H        GLU  85  20.199   0.959  -7.599
  657    HA   GLU  85           HA       GLU  85  18.008   1.918  -9.315
  658    HB2  GLU  85           HB2      GLU  85  16.888   2.609  -7.341
  659    HB3  GLU  85           HB3      GLU  85  17.439   0.951  -7.150
  660    HG2  GLU  85           HG2      GLU  85  19.097   1.564  -5.571
  661    HG3  GLU  85           HG3      GLU  85  19.031   3.275  -6.004
  662    H    GLU  86           H        GLU  86  20.774   3.464  -7.631
  663    HA   GLU  86           HA       GLU  86  19.899   6.113  -7.968
  664    HB2  GLU  86           HB2      GLU  86  22.663   4.916  -7.805
  665    HB3  GLU  86           HB3      GLU  86  22.403   6.659  -7.866
  666    HG2  GLU  86           HG2      GLU  86  20.941   4.956  -5.832
  667    HG3  GLU  86           HG3      GLU  86  22.593   5.505  -5.548
  668    H    ALA  87           H        ALA  87  21.322   4.025 -10.428
  669    HA   ALA  87           HA       ALA  87  21.640   6.060 -12.453
  670    HB1  ALA  87           HB1      ALA  87  20.931   3.091 -12.712
  671    HB2  ALA  87           HB2      ALA  87  21.544   4.148 -13.997
  672    HB3  ALA  87           HB3      ALA  87  22.579   3.761 -12.606
  673    H    LEU  88           H        LEU  88  18.844   4.025 -11.449
  674    HA   LEU  88           HA       LEU  88  17.164   5.035 -13.642
  675    HB2  LEU  88           HB2      LEU  88  16.433   3.228 -11.335
  676    HB3  LEU  88           HB3      LEU  88  15.523   3.451 -12.824
  677    HG   LEU  88           HG       LEU  88  18.195   2.027 -12.458
  678   HD11  LEU  88          HD11      LEU  88  15.483   1.063 -13.428
  679   HD12  LEU  88          HD12      LEU  88  16.937   0.079 -13.132
  680   HD13  LEU  88          HD13      LEU  88  16.111   0.857 -11.774
  681   HD21  LEU  88          HD21      LEU  88  18.344   3.102 -14.599
  682   HD22  LEU  88          HD22      LEU  88  17.926   1.411 -14.883
  683   HD23  LEU  88          HD23      LEU  88  16.658   2.644 -15.010
  684    H    ASN  89           H        ASN  89  17.743   5.821 -10.330
  685    HA   ASN  89           HA       ASN  89  15.327   7.021  -9.565
  686    HB2  ASN  89           HB2      ASN  89  18.192   7.116  -8.687
  687    HB3  ASN  89           HB3      ASN  89  17.104   8.302  -8.027
  688   HD21  ASN  89          HD21      ASN  89  17.157   5.282  -5.796
  689   HD22  ASN  89          HD22      ASN  89  18.341   6.495  -6.326
  690    H    ARG  90           H        ARG  90  17.910   8.245 -11.506
  691    HA   ARG  90           HA       ARG  90  16.477  10.846 -11.895
  692    HB2  ARG  90           HB2      ARG  90  18.502  11.864 -12.329
  693    HB3  ARG  90           HB3      ARG  90  18.605  10.888 -10.851
  694    HG2  ARG  90           HG2      ARG  90  19.840   9.116 -12.131
  695    HG3  ARG  90           HG3      ARG  90  19.844  10.196 -13.552
  696    HD2  ARG  90           HD2      ARG  90  20.929  11.959 -12.189
  697    HD3  ARG  90           HD3      ARG  90  20.831  10.935 -10.769
  698    HE   ARG  90           HE       ARG  90  22.610   9.612 -11.506
  699   HH11  ARG  90          HH11      ARG  90  21.876  11.900 -14.069
  700   HH12  ARG  90          HH12      ARG  90  23.363  11.566 -14.911
  701   HH21  ARG  90          HH21      ARG  90  24.487   9.248 -12.630
  702   HH22  ARG  90          HH22      ARG  90  24.797  10.097 -14.113
  703    H    ARG  91           H        ARG  91  16.419   8.024 -13.389
  704    HA   ARG  91           HA       ARG  91  16.167   9.103 -16.189
  705    HB2  ARG  91           HB2      ARG  91  16.070   6.271 -15.077
  706    HB3  ARG  91           HB3      ARG  91  15.758   6.683 -16.764
  707    HG2  ARG  91           HG2      ARG  91  18.001   7.452 -17.096
  708    HG3  ARG  91           HG3      ARG  91  18.382   7.343 -15.392
  709    HD2  ARG  91           HD2      ARG  91  19.003   5.169 -15.630
  710    HD3  ARG  91           HD3      ARG  91  17.400   4.737 -16.134
  711    HE   ARG  91           HE       ARG  91  19.745   5.430 -17.854
  712   HH11  ARG  91          HH11      ARG  91  16.386   4.348 -17.922
  713   HH12  ARG  91          HH12      ARG  91  16.497   3.904 -19.598
  714   HH21  ARG  91          HH21      ARG  91  19.779   4.836 -19.969
  715   HH22  ARG  91          HH22      ARG  91  18.361   4.173 -20.720
  716    H    GLN  92           H        GLN  92  14.330   7.152 -13.852
  717    HA   GLN  92           HA       GLN  92  11.748   8.071 -15.074
  718    HB2  GLN  92           HB2      GLN  92  10.985   5.721 -15.051
  719    HB3  GLN  92           HB3      GLN  92  12.251   6.073 -16.227
  720    HG2  GLN  92           HG2      GLN  92  13.925   4.913 -14.908
  721    HG3  GLN  92           HG3      GLN  92  12.820   4.728 -13.546
  722   HE21  GLN  92          HE21      GLN  92  11.027   1.989 -15.006
  723   HE22  GLN  92          HE22      GLN  92  10.915   3.267 -13.804
  724    H    ILE  93           H        ILE  93  13.253   6.522 -12.214
  725    HA   ILE  93           HA       ILE  93  10.739   6.453 -10.779
  726    HB   ILE  93           HB       ILE  93  13.419   6.384  -9.382
  727   HG12  ILE  93          HG12      ILE  93  12.099   4.102 -10.921
  728   HG13  ILE  93          HG13      ILE  93  13.679   4.818 -11.257
  729   HG21  ILE  93          HG21      ILE  93  10.767   4.973  -8.869
  730   HG22  ILE  93          HG22      ILE  93  12.198   4.957  -7.812
  731   HG23  ILE  93          HG23      ILE  93  11.311   6.449  -8.037
  732   HD11  ILE  93          HD11      ILE  93  13.007   3.116  -8.849
  733   HD12  ILE  93          HD12      ILE  93  14.039   2.714 -10.227
  734   HD13  ILE  93          HD13      ILE  93  14.549   3.979  -9.101
  735    H    ASN  94           H        ASN  94  12.988   8.985 -11.395
  736    HA   ASN  94           HA       ASN  94  12.550  10.755  -9.265
  737    HB2  ASN  94           HB2      ASN  94  13.985  10.824 -11.637
  738    HB3  ASN  94           HB3      ASN  94  12.696  11.922 -12.050
  739   HD21  ASN  94          HD21      ASN  94  15.571  12.973  -9.325
  740   HD22  ASN  94          HD22      ASN  94  15.293  11.278  -9.738
  741    H    GLN  95           H        GLN  95  10.543  10.296 -12.211
  742    HA   GLN  95           HA       GLN  95   8.628  12.361 -11.507
  743    HB2  GLN  95           HB2      GLN  95   8.436  10.015 -13.444
  744    HB3  GLN  95           HB3      GLN  95   7.235  11.303 -13.280
  745    HG2  GLN  95           HG2      GLN  95   8.995  12.991 -13.870
  746    HG3  GLN  95           HG3      GLN  95  10.137  11.679 -14.150
  747   HE21  GLN  95          HE21      GLN  95   8.646  10.717 -17.276
  748   HE22  GLN  95          HE22      GLN  95   9.678  10.177 -15.958
  749    H    ALA  96           H        ALA  96   8.764   8.816 -11.040
  750    HA   ALA  96           HA       ALA  96   6.136   8.508  -9.978
  751    HB1  ALA  96           HB1      ALA  96   8.637   6.829  -9.484
  752    HB2  ALA  96           HB2      ALA  96   6.957   6.326  -9.212
  753    HB3  ALA  96           HB3      ALA  96   7.521   6.656 -10.860
  754    H    LEU  97           H        LEU  97   9.285   9.036  -8.282
  755    HA   LEU  97           HA       LEU  97   8.056   9.056  -5.682
  756    HB2  LEU  97           HB2      LEU  97  10.164   9.610  -4.806
  757    HB3  LEU  97           HB3      LEU  97  10.337   8.411  -6.073
  758    HG   LEU  97           HG       LEU  97  10.938  10.510  -7.564
  759   HD11  LEU  97          HD11      LEU  97  11.769  11.472  -4.792
  760   HD12  LEU  97          HD12      LEU  97  12.224  12.217  -6.340
  761   HD13  LEU  97          HD13      LEU  97  10.548  12.254  -5.801
  762   HD21  LEU  97          HD21      LEU  97  12.456   8.639  -7.081
  763   HD22  LEU  97          HD22      LEU  97  13.326  10.177  -6.988
  764   HD23  LEU  97          HD23      LEU  97  12.841   9.341  -5.496
  765    H    LEU  98           H        LEU  98   8.721  11.632  -7.979
  766    HA   LEU  98           HA       LEU  98   8.157  13.832  -6.203
  767    HB2  LEU  98           HB2      LEU  98   9.505  14.048  -8.247
  768    HB3  LEU  98           HB3      LEU  98   8.110  13.607  -9.239
  769    HG   LEU  98           HG       LEU  98   6.955  15.694  -8.547
  770   HD11  LEU  98          HD11      LEU  98   9.575  16.314  -7.101
  771   HD12  LEU  98          HD12      LEU  98   8.266  17.478  -7.406
  772   HD13  LEU  98          HD13      LEU  98   7.980  16.100  -6.342
  773   HD21  LEU  98          HD21      LEU  98   8.346  15.636 -10.580
  774   HD22  LEU  98          HD22      LEU  98   8.392  17.232  -9.813
  775   HD23  LEU  98          HD23      LEU  98   9.770  16.120  -9.632
  776    H    SER  99           H        SER  99   6.137  11.800  -8.280
  777    HA   SER  99           HA       SER  99   3.697  13.242  -7.669
  778    HB2  SER  99           HB2      SER  99   4.167  10.595  -9.071
  779    HB3  SER  99           HB3      SER  99   2.571  11.343  -8.845
  780    HG   SER  99           HG       SER  99   3.518  11.892 -10.883
  781    H    THR 100           H        THR 100   5.033  12.648  -5.376
  782    HA   THR 100           HA       THR 100   4.891  11.834  -3.272
  783    HB   THR 100           HB       THR 100   1.937  11.401  -3.775
  784    HG1  THR 100           HG1      THR 100   1.716  13.595  -3.345
  785   HG21  THR 100          HG21      THR 100   3.510  12.369  -1.331
  786   HG22  THR 100          HG22      THR 100   1.742  12.220  -1.438
  787   HG23  THR 100          HG23      THR 100   2.750  10.773  -1.493
  788    H    GLY 101           H        GLY 101   6.130  10.066  -4.539
  789    HA2  GLY 101           HA2      GLY 101   4.951   7.369  -3.934
  790    HA3  GLY 101           HA3      GLY 101   5.878   7.716  -5.385
  791    H    ASP 102           H        ASP 102   6.952   9.086  -2.322
  792    HA   ASP 102           HA       ASP 102   9.477   7.642  -2.387
  793    HB2  ASP 102           HB2      ASP 102   8.212   9.331  -0.196
  794    HB3  ASP 102           HB3      ASP 102   9.841   8.666  -0.154
  795    H    LEU 103           H        LEU 103  10.319   6.346  -0.653
  796    HA   LEU 103           HA       LEU 103   8.590   4.280   0.401
  797    HB2  LEU 103           HB2      LEU 103  10.491   3.268   1.147
  798    HB3  LEU 103           HB3      LEU 103  11.080   4.147  -0.255
  799    HG   LEU 103           HG       LEU 103  11.437   5.003   2.661
  800   HD11  LEU 103          HD11      LEU 103  13.423   3.817   0.682
  801   HD12  LEU 103          HD12      LEU 103  13.774   4.346   2.342
  802   HD13  LEU 103          HD13      LEU 103  12.701   2.967   2.063
  803   HD21  LEU 103          HD21      LEU 103  11.490   6.976   1.192
  804   HD22  LEU 103          HD22      LEU 103  13.114   6.594   1.759
  805   HD23  LEU 103          HD23      LEU 103  12.641   6.159   0.103
  806    H    ALA 104           H        ALA 104   8.503   3.740   2.736
  807    HA   ALA 104           HA       ALA 104   8.703   6.021   4.610
  808    HB1  ALA 104           HB1      ALA 104   6.194   4.319   4.275
  809    HB2  ALA 104           HB2      ALA 104   6.440   5.606   5.479
  810    HB3  ALA 104           HB3      ALA 104   6.379   6.011   3.755
  811    H    HIS 105           H        HIS 105  10.435   3.795   4.242
  812    HA   HIS 105           HA       HIS 105   9.597   1.658   6.062
  813    HB2  HIS 105           HB2      HIS 105  12.005   1.818   4.237
  814    HB3  HIS 105           HB3      HIS 105  11.378   0.385   5.038
  815    HD2  HIS 105           HD2      HIS 105  11.720   0.148   2.022
  816    HE1  HIS 105           HE1      HIS 105   7.542   0.878   1.559
  817    HE2  HIS 105           HE2      HIS 105   9.630  -0.046   0.429
  818    H    ASP 106           H        ASP 106  10.051   1.816   8.133
  819    HA   ASP 106           HA       ASP 106  11.089   2.114  10.114
  820    HB2  ASP 106           HB2      ASP 106  12.094   0.066   9.131
  821    HB3  ASP 106           HB3      ASP 106  13.471   1.023   8.589
  822    H    GLU 107           H        GLU 107  10.906   4.558   8.901
  823    HA   GLU 107           HA       GLU 107  13.385   5.877   8.502
  824    HB2  GLU 107           HB2      GLU 107  10.611   7.020   8.977
  825    HB3  GLU 107           HB3      GLU 107  12.015   7.952   8.445
  826    HG2  GLU 107           HG2      GLU 107  12.203   6.460   6.435
  827    HG3  GLU 107           HG3      GLU 107  10.694   5.678   6.918
  828    H    PHE 108           H        PHE 108  11.422   5.657  11.419
  829    HA   PHE 108           HA       PHE 108  13.429   7.151  13.014
  830    HB2  PHE 108           HB2      PHE 108  10.451   7.772  12.977
  831    HB3  PHE 108           HB3      PHE 108  11.611   8.418  14.122
  832    HD1  PHE 108           HD1      PHE 108  13.369  10.041  13.393
  833    HD2  PHE 108           HD2      PHE 108  10.292   8.666  10.707
  834    HE1  PHE 108           HE1      PHE 108  13.854  11.941  11.861
  835    HE2  PHE 108           HE2      PHE 108  10.773  10.569   9.178
  836    HZ   PHE 108           HZ       PHE 108  12.557  12.206   9.754
  Start of MODEL   12
    1    H1   ALA   1           H1       ALA   1  -3.106  -3.694  -7.336
    2    H2   ALA   1           H2       ALA   1  -2.945  -2.087  -7.049
    3    H3   ALA   1           H3       ALA   1  -3.916  -2.995  -6.103
    4    HA   ALA   1           HA       ALA   1  -1.915  -2.476  -4.926
    5    HB1  ALA   1           HB1      ALA   1  -2.119  -5.441  -5.618
    6    HB2  ALA   1           HB2      ALA   1  -1.235  -4.744  -4.243
    7    HB3  ALA   1           HB3      ALA   1  -2.993  -4.578  -4.336
    8    H    VAL   2           H        VAL   2  -0.784  -4.897  -7.395
    9    HA   VAL   2           HA       VAL   2   1.242  -5.222  -8.309
   10    HB   VAL   2           HB       VAL   2   1.534  -2.228  -8.675
   11   HG11  VAL   2          HG11      VAL   2   2.346  -4.633 -10.390
   12   HG12  VAL   2          HG12      VAL   2   2.622  -2.924 -10.784
   13   HG13  VAL   2          HG13      VAL   2   3.460  -3.653  -9.416
   14   HG21  VAL   2          HG21      VAL   2  -0.738  -2.775  -9.407
   15   HG22  VAL   2          HG22      VAL   2   0.292  -2.545 -10.816
   16   HG23  VAL   2          HG23      VAL   2  -0.141  -4.192 -10.304
   17    H    GLU   3           H        GLU   3   1.437  -5.696  -5.848
   18    HA   GLU   3           HA       GLU   3   3.885  -4.362  -4.755
   19    HB2  GLU   3           HB2      GLU   3   1.529  -3.898  -3.742
   20    HB3  GLU   3           HB3      GLU   3   1.670  -5.508  -3.043
   21    HG2  GLU   3           HG2      GLU   3   3.818  -4.754  -1.927
   22    HG3  GLU   3           HG3      GLU   3   3.602  -3.168  -2.660
   23    H    VAL   4           H        VAL   4   3.765  -6.761  -6.451
   24    HA   VAL   4           HA       VAL   4   4.971  -8.808  -4.631
   25    HB   VAL   4           HB       VAL   4   3.039  -9.352  -6.923
   26   HG11  VAL   4          HG11      VAL   4   4.409 -11.281  -4.993
   27   HG12  VAL   4          HG12      VAL   4   3.110 -11.711  -6.122
   28   HG13  VAL   4          HG13      VAL   4   4.663 -11.189  -6.756
   29   HG21  VAL   4          HG21      VAL   4   1.808  -8.544  -4.959
   30   HG22  VAL   4          HG22      VAL   4   1.547 -10.274  -5.158
   31   HG23  VAL   4          HG23      VAL   4   2.676  -9.691  -3.914
   32    H    GLU   5           H        GLU   5   6.613 -10.077  -5.577
   33    HA   GLU   5           HA       GLU   5   8.259  -8.743  -7.566
   34    HB2  GLU   5           HB2      GLU   5   8.600 -11.372  -6.075
   35    HB3  GLU   5           HB3      GLU   5   9.826 -10.611  -7.102
   36    HG2  GLU   5           HG2      GLU   5   9.874  -8.632  -5.639
   37    HG3  GLU   5           HG3      GLU   5   8.644  -9.348  -4.595
   38    H    VAL   6           H        VAL   6   6.157  -9.065  -8.990
   39    HA   VAL   6           HA       VAL   6   5.874 -11.556 -10.424
   40    HB   VAL   6           HB       VAL   6   4.720  -8.788 -10.797
   41   HG11  VAL   6          HG11      VAL   6   4.168 -11.263 -12.504
   42   HG12  VAL   6          HG12      VAL   6   3.184  -9.783 -12.489
   43   HG13  VAL   6          HG13      VAL   6   4.844  -9.719 -13.079
   44   HG21  VAL   6          HG21      VAL   6   3.895 -10.165  -8.924
   45   HG22  VAL   6          HG22      VAL   6   2.649  -9.917 -10.151
   46   HG23  VAL   6          HG23      VAL   6   3.497 -11.476 -10.052
   47    HA   PRO   7           HA       PRO   7   8.412  -9.763 -13.972
   48    HB2  PRO   7           HB2      PRO   7   9.561  -7.337 -14.032
   49    HB3  PRO   7           HB3      PRO   7   7.809  -7.520 -14.299
   50    HG2  PRO   7           HG2      PRO   7   9.204  -6.846 -11.688
   51    HG3  PRO   7           HG3      PRO   7   7.855  -5.953 -12.465
   52    HD2  PRO   7           HD2      PRO   7   7.427  -7.808 -10.517
   53    HD3  PRO   7           HD3      PRO   7   6.299  -7.625 -11.896
   54    H    GLY   8           H        GLY   8  10.700  -9.519 -14.522
   55    HA2  GLY   8           HA2      GLY   8  12.950  -8.951 -13.251
   56    HA3  GLY   8           HA3      GLY   8  12.562 -10.421 -12.365
   57    H    LEU   9           H        LEU   9  14.813  -9.704 -14.262
   58    HA   LEU   9           HA       LEU   9  14.817 -12.279 -15.655
   59    HB2  LEU   9           HB2      LEU   9  15.430 -11.389 -17.856
   60    HB3  LEU   9           HB3      LEU   9  13.801 -11.049 -17.335
   61    HG   LEU   9           HG       LEU   9  14.492  -8.693 -16.795
   62   HD11  LEU   9          HD11      LEU   9  17.000  -9.447 -18.349
   63   HD12  LEU   9          HD12      LEU   9  16.488  -7.786 -17.980
   64   HD13  LEU   9          HD13      LEU   9  16.926  -8.887 -16.671
   65   HD21  LEU   9          HD21      LEU   9  13.294  -9.299 -18.851
   66   HD22  LEU   9          HD22      LEU   9  14.437  -7.982 -19.154
   67   HD23  LEU   9          HD23      LEU   9  14.837  -9.635 -19.663
   68    H    LEU  10           H        LEU  10  16.243 -11.501 -13.378
   69    HA   LEU  10           HA       LEU  10  19.022 -10.971 -13.967
   70    HB2  LEU  10           HB2      LEU  10  17.618 -12.355 -11.662
   71    HB3  LEU  10           HB3      LEU  10  19.353 -12.294 -11.764
   72    HG   LEU  10           HG       LEU  10  17.873  -9.686 -11.986
   73   HD11  LEU  10          HD11      LEU  10  18.386 -11.160  -9.367
   74   HD12  LEU  10          HD12      LEU  10  17.874  -9.462  -9.514
   75   HD13  LEU  10          HD13      LEU  10  16.797 -10.758 -10.054
   76   HD21  LEU  10          HD21      LEU  10  20.378  -9.801 -12.171
   77   HD22  LEU  10          HD22      LEU  10  19.833  -8.819 -10.799
   78   HD23  LEU  10          HD23      LEU  10  20.435 -10.462 -10.511
   79    H    THR  11           H        THR  11  20.291 -12.156 -15.160
   80    HA   THR  11           HA       THR  11  20.036 -15.127 -15.123
   81    HB   THR  11           HB       THR  11  20.824 -13.314 -17.416
   82    HG1  THR  11           HG1      THR  11  19.047 -14.288 -18.372
   83   HG21  THR  11          HG21      THR  11  21.018 -16.346 -17.238
   84   HG22  THR  11          HG22      THR  11  21.081 -15.411 -18.750
   85   HG23  THR  11          HG23      THR  11  22.346 -15.198 -17.542
   86    H    ASP  12           H        ASP  12  21.770 -16.318 -14.691
   87    HA   ASP  12           HA       ASP  12  24.179 -15.106 -13.636
   88    HB2  ASP  12           HB2      ASP  12  24.796 -17.395 -13.107
   89    HB3  ASP  12           HB3      ASP  12  23.182 -17.016 -12.540
   90    H    HIS  13           H        HIS  13  24.509 -13.968 -15.794
   91    HA   HIS  13           HA       HIS  13  25.701 -15.524 -17.965
   92    HB2  HIS  13           HB2      HIS  13  24.737 -12.900 -17.713
   93    HB3  HIS  13           HB3      HIS  13  26.454 -12.675 -17.808
   94    HD2  HIS  13           HD2      HIS  13  23.583 -14.355 -19.821
   95    HE1  HIS  13           HE1      HIS  13  26.696 -13.435 -22.590
   96    HE2  HIS  13           HE2      HIS  13  24.323 -14.330 -22.352
   97    H    THR  14           H        THR  14  26.858 -15.171 -14.942
   98    HA   THR  14           HA       THR  14  29.503 -14.156 -15.548
   99    HB   THR  14           HB       THR  14  29.721 -14.063 -13.067
  100    HG1  THR  14           HG1      THR  14  27.866 -14.493 -11.861
  101   HG21  THR  14          HG21      THR  14  27.071 -12.849 -13.951
  102   HG22  THR  14          HG22      THR  14  28.147 -12.300 -12.651
  103   HG23  THR  14          HG23      THR  14  28.658 -12.152 -14.341
  104    H    VAL  15           H        VAL  15  31.482 -15.185 -15.311
  105    HA   VAL  15           HA       VAL  15  31.463 -18.087 -14.662
  106    HB   VAL  15           HB       VAL  15  31.002 -17.718 -17.045
  107   HG11  VAL  15          HG11      VAL  15  33.847 -16.703 -17.306
  108   HG12  VAL  15          HG12      VAL  15  32.746 -17.130 -18.628
  109   HG13  VAL  15          HG13      VAL  15  32.360 -15.769 -17.570
  110   HG21  VAL  15          HG21      VAL  15  31.980 -19.815 -16.189
  111   HG22  VAL  15          HG22      VAL  15  32.364 -19.465 -17.882
  112   HG23  VAL  15          HG23      VAL  15  33.595 -19.221 -16.636
  113    H    SER  16           H        SER  16  32.380 -16.136 -12.967
  114    HA   SER  16           HA       SER  16  35.337 -16.661 -12.832
  115    HB2  SER  16           HB2      SER  16  35.317 -14.396 -13.323
  116    HB3  SER  16           HB3      SER  16  33.763 -14.127 -12.523
  117    HG   SER  16           HG       SER  16  36.307 -14.090 -11.443
  118    H    SER  17           H        SER  17  36.199 -17.067 -10.726
  119    HA   SER  17           HA       SER  17  34.583 -18.431  -8.872
  120    HB2  SER  17           HB2      SER  17  37.199 -16.980  -8.310
  121    HB3  SER  17           HB3      SER  17  36.491 -18.297  -7.352
  122    HG   SER  17           HG       SER  17  38.086 -19.075  -8.825
  123    H    ILE  18           H        ILE  18  35.382 -14.973  -8.961
  124    HA   ILE  18           HA       ILE  18  33.675 -14.428  -6.569
  125    HB   ILE  18           HB       ILE  18  34.383 -11.973  -7.267
  126   HG12  ILE  18          HG12      ILE  18  36.830 -13.527  -8.208
  127   HG13  ILE  18          HG13      ILE  18  35.597 -12.848  -9.289
  128   HG21  ILE  18          HG21      ILE  18  36.226 -13.882  -5.778
  129   HG22  ILE  18          HG22      ILE  18  36.167 -12.109  -5.601
  130   HG23  ILE  18          HG23      ILE  18  34.790 -13.080  -5.100
  131   HD11  ILE  18          HD11      ILE  18  37.087 -11.068  -7.404
  132   HD12  ILE  18          HD12      ILE  18  37.699 -11.527  -9.016
  133   HD13  ILE  18          HD13      ILE  18  36.167 -10.689  -8.884
  134    H    GLY  19           H        GLY  19  33.705 -13.767 -10.126
  135    HA2  GLY  19           HA2      GLY  19  31.372 -12.091 -10.030
  136    HA3  GLY  19           HA3      GLY  19  32.000 -12.913 -11.456
  137    H    HIS  20           H        HIS  20  31.643 -15.630 -10.235
  138    HA   HIS  20           HA       HIS  20  28.872 -16.209 -10.807
  139    HB2  HIS  20           HB2      HIS  20  30.689 -17.825 -11.121
  140    HB3  HIS  20           HB3      HIS  20  31.023 -17.819  -9.387
  141    HD2  HIS  20           HD2      HIS  20  29.542 -19.341  -7.833
  142    HE1  HIS  20           HE1      HIS  20  26.996 -20.986 -10.837
  143    HE2  HIS  20           HE2      HIS  20  27.726 -21.164  -8.399
  144    H    ASP  21           H        ASP  21  30.710 -15.599  -7.779
  145    HA   ASP  21           HA       ASP  21  28.440 -16.202  -6.045
  146    HB2  ASP  21           HB2      ASP  21  31.166 -14.940  -5.592
  147    HB3  ASP  21           HB3      ASP  21  29.931 -15.034  -4.344
  148    H    PHE  22           H        PHE  22  29.821 -13.205  -7.513
  149    HA   PHE  22           HA       PHE  22  28.218 -11.314  -6.150
  150    HB2  PHE  22           HB2      PHE  22  30.025 -10.765  -7.795
  151    HB3  PHE  22           HB3      PHE  22  28.987 -11.276  -9.100
  152    HD1  PHE  22           HD1      PHE  22  29.652  -8.560  -6.674
  153    HD2  PHE  22           HD2      PHE  22  26.904 -10.025  -9.639
  154    HE1  PHE  22           HE1      PHE  22  28.657  -6.298  -6.875
  155    HE2  PHE  22           HE2      PHE  22  25.848  -7.783  -9.778
  156    HZ   PHE  22           HZ       PHE  22  26.748  -5.913  -8.427
  157    H    TYR  23           H        TYR  23  27.343 -13.271  -9.030
  158    HA   TYR  23           HA       TYR  23  24.780 -12.214  -9.500
  159    HB2  TYR  23           HB2      TYR  23  25.809 -13.883 -10.969
  160    HB3  TYR  23           HB3      TYR  23  25.702 -15.107  -9.694
  161    HD1  TYR  23           HD1      TYR  23  23.692 -16.354  -9.337
  162    HD2  TYR  23           HD2      TYR  23  23.664 -12.896 -11.899
  163    HE1  TYR  23           HE1      TYR  23  21.313 -16.808  -9.912
  164    HE2  TYR  23           HE2      TYR  23  21.273 -13.316 -12.440
  165    HH   TYR  23           HH       TYR  23  19.459 -16.097 -11.086
  166    H    ARG  24           H        ARG  24  25.580 -14.934  -7.320
  167    HA   ARG  24           HA       ARG  24  22.870 -15.289  -6.366
  168    HB2  ARG  24           HB2      ARG  24  25.503 -16.238  -5.125
  169    HB3  ARG  24           HB3      ARG  24  23.875 -16.819  -4.740
  170    HG2  ARG  24           HG2      ARG  24  23.662 -17.450  -7.218
  171    HG3  ARG  24           HG3      ARG  24  25.400 -17.166  -7.359
  172    HD2  ARG  24           HD2      ARG  24  25.878 -18.862  -5.674
  173    HD3  ARG  24           HD3      ARG  24  24.141 -19.092  -5.370
  174    HE   ARG  24           HE       ARG  24  24.661 -19.525  -8.145
  175   HH11  ARG  24          HH11      ARG  24  25.265 -21.150  -5.098
  176   HH12  ARG  24          HH12      ARG  24  25.212 -22.732  -5.822
  177   HH21  ARG  24          HH21      ARG  24  24.538 -21.585  -8.997
  178   HH22  ARG  24          HH22      ARG  24  24.828 -22.962  -7.979
  179    H    ALA  25           H        ALA  25  25.714 -13.695  -4.937
  180    HA   ALA  25           HA       ALA  25  24.423 -12.915  -2.498
  181    HB1  ALA  25           HB1      ALA  25  26.753 -11.591  -3.957
  182    HB2  ALA  25           HB2      ALA  25  26.368 -11.467  -2.223
  183    HB3  ALA  25           HB3      ALA  25  26.902 -13.016  -2.895
  184    H    PHE  26           H        PHE  26  24.759 -11.135  -5.633
  185    HA   PHE  26           HA       PHE  26  23.450  -8.766  -4.726
  186    HB2  PHE  26           HB2      PHE  26  24.809  -8.857  -6.749
  187    HB3  PHE  26           HB3      PHE  26  23.737 -10.014  -7.494
  188    HD1  PHE  26           HD1      PHE  26  24.532  -6.541  -7.163
  189    HD2  PHE  26           HD2      PHE  26  21.244  -9.226  -7.932
  190    HE1  PHE  26           HE1      PHE  26  23.256  -4.695  -8.246
  191    HE2  PHE  26           HE2      PHE  26  19.957  -7.373  -8.920
  192    HZ   PHE  26           HZ       PHE  26  20.956  -5.121  -9.116
  193    H    SER  27           H        SER  27  22.107 -11.654  -6.455
  194    HA   SER  27           HA       SER  27  19.442 -10.635  -6.493
  195    HB2  SER  27           HB2      SER  27  18.740 -12.794  -7.215
  196    HB3  SER  27           HB3      SER  27  20.269 -12.389  -8.015
  197    HG   SER  27           HG       SER  27  20.205 -14.566  -7.200
  198    H    ASP  28           H        ASP  28  21.136 -12.530  -4.011
  199    HA   ASP  28           HA       ASP  28  18.910 -13.193  -2.375
  200    HB2  ASP  28           HB2      ASP  28  21.876 -12.797  -1.924
  201    HB3  ASP  28           HB3      ASP  28  20.823 -12.988  -0.539
  202    H    LYS  29           H        LYS  29  20.724 -10.121  -2.569
  203    HA   LYS  29           HA       LYS  29  18.789  -8.981  -0.582
  204    HB2  LYS  29           HB2      LYS  29  20.693  -7.099  -0.524
  205    HB3  LYS  29           HB3      LYS  29  20.515  -8.393   0.610
  206    HG2  LYS  29           HG2      LYS  29  22.321  -8.658  -1.816
  207    HG3  LYS  29           HG3      LYS  29  22.848  -7.807  -0.375
  208    HD2  LYS  29           HD2      LYS  29  22.042 -10.740  -0.428
  209    HD3  LYS  29           HD3      LYS  29  23.682 -10.104  -0.411
  210    HE2  LYS  29           HE2      LYS  29  23.237  -8.992   1.782
  211    HE3  LYS  29           HE3      LYS  29  21.609  -9.678   1.795
  212    HZ1  LYS  29           HZ1      LYS  29  24.125 -11.284   1.812
  213    HZ2  LYS  29           HZ2      LYS  29  23.147 -11.040   3.093
  214    HZ3  LYS  29           HZ3      LYS  29  22.610 -11.913   1.828
  215    H    TRP  30           H        TRP  30  19.100  -9.032  -3.814
  216    HA   TRP  30           HA       TRP  30  18.612  -6.355  -4.567
  217    HB2  TRP  30           HB2      TRP  30  19.196  -8.092  -6.163
  218    HB3  TRP  30           HB3      TRP  30  17.670  -8.929  -5.860
  219    HD1  TRP  30           HD1      TRP  30  15.952  -8.479  -7.668
  220    HE1  TRP  30           HE1      TRP  30  15.342  -6.561  -9.258
  221    HE3  TRP  30           HE3      TRP  30  19.527  -5.089  -6.260
  222    HZ2  TRP  30           HZ2      TRP  30  16.251  -3.879  -9.807
  223    HZ3  TRP  30           HZ3      TRP  30  19.577  -2.837  -7.267
  224    HH2  TRP  30           HH2      TRP  30  17.971  -2.214  -9.056
  225    H    GLU  31           H        GLU  31  16.977  -5.013  -4.530
  226    HA   GLU  31           HA       GLU  31  14.187  -5.787  -4.499
  227    HB2  GLU  31           HB2      GLU  31  14.770  -5.924  -2.062
  228    HB3  GLU  31           HB3      GLU  31  15.323  -4.247  -2.112
  229    HG2  GLU  31           HG2      GLU  31  13.041  -3.498  -2.689
  230    HG3  GLU  31           HG3      GLU  31  12.493  -5.175  -2.775
  231    H    SER  32           H        SER  32  12.961  -4.102  -5.460
  232    HA   SER  32           HA       SER  32  14.146  -1.424  -5.775
  233    HB2  SER  32           HB2      SER  32  14.240  -1.478  -8.159
  234    HB3  SER  32           HB3      SER  32  15.261  -2.749  -7.504
  235    HG   SER  32           HG       SER  32  13.597  -4.260  -8.006
  236    H    ASP  33           H        ASP  33  12.800   0.132  -6.808
  237    HA   ASP  33           HA       ASP  33   9.909  -0.350  -6.368
  238    HB2  ASP  33           HB2      ASP  33  11.545   2.182  -6.720
  239    HB3  ASP  33           HB3      ASP  33   9.802   2.148  -6.477
  240    H    TYR  34           H        TYR  34  11.901  -0.448  -9.076
  241    HA   TYR  34           HA       TYR  34   9.794   0.471 -10.962
  242    HB2  TYR  34           HB2      TYR  34  11.441   0.869 -12.526
  243    HB3  TYR  34           HB3      TYR  34  12.121   1.492 -11.047
  244    HD1  TYR  34           HD1      TYR  34  12.726  -0.584 -13.913
  245    HD2  TYR  34           HD2      TYR  34  13.801  -0.037  -9.768
  246    HE1  TYR  34           HE1      TYR  34  14.642  -2.090 -14.216
  247    HE2  TYR  34           HE2      TYR  34  15.725  -1.587 -10.072
  248    HH   TYR  34           HH       TYR  34  16.444  -3.123 -13.230
  249    H    THR  35           H        THR  35  10.497  -1.020 -13.190
  250    HA   THR  35           HA       THR  35   9.098  -3.461 -12.690
  251    HB   THR  35           HB       THR  35  10.553  -3.007 -15.268
  252    HG1  THR  35           HG1      THR  35   8.999  -1.460 -15.869
  253   HG21  THR  35          HG21      THR  35   7.644  -3.685 -14.588
  254   HG22  THR  35          HG22      THR  35   8.354  -3.656 -16.218
  255   HG23  THR  35          HG23      THR  35   8.888  -4.867 -15.050
  256    H    GLY  36           H        GLY  36  12.400  -2.935 -12.151
  257    HA2  GLY  36           HA2      GLY  36  14.079  -4.377 -11.601
  258    HA3  GLY  36           HA3      GLY  36  12.803  -5.586 -11.357
  259    H    ASN  37           H        ASN  37  13.411  -4.286 -14.549
  260    HA   ASN  37           HA       ASN  37  14.115  -6.982 -15.475
  261    HB2  ASN  37           HB2      ASN  37  13.690  -4.436 -17.065
  262    HB3  ASN  37           HB3      ASN  37  13.866  -6.065 -17.719
  263   HD21  ASN  37          HD21      ASN  37  10.551  -7.056 -16.533
  264   HD22  ASN  37          HD22      ASN  37  12.183  -7.699 -16.432
  265    H    LEU  38           H        LEU  38  16.126  -6.898 -14.213
  266    HA   LEU  38           HA       LEU  38  18.375  -5.789 -15.835
  267    HB2  LEU  38           HB2      LEU  38  19.595  -5.166 -14.017
  268    HB3  LEU  38           HB3      LEU  38  17.983  -4.588 -13.641
  269    HG   LEU  38           HG       LEU  38  19.375  -7.040 -12.449
  270   HD11  LEU  38          HD11      LEU  38  18.640  -4.313 -11.350
  271   HD12  LEU  38          HD12      LEU  38  19.146  -5.674 -10.343
  272   HD13  LEU  38          HD13      LEU  38  20.268  -5.022 -11.536
  273   HD21  LEU  38          HD21      LEU  38  16.937  -7.474 -12.487
  274   HD22  LEU  38          HD22      LEU  38  17.516  -7.167 -10.857
  275   HD23  LEU  38          HD23      LEU  38  16.650  -5.883 -11.728
  276    H    THR  39           H        THR  39  20.362  -6.848 -15.906
  277    HA   THR  39           HA       THR  39  20.533  -9.599 -14.795
  278    HB   THR  39           HB       THR  39  19.643  -9.752 -17.116
  279    HG1  THR  39           HG1      THR  39  21.380 -11.318 -17.611
  280   HG21  THR  39          HG21      THR  39  22.440  -8.900 -17.955
  281   HG22  THR  39          HG22      THR  39  21.135  -9.499 -19.000
  282   HG23  THR  39          HG23      THR  39  20.957  -7.938 -18.187
  283    H    ILE  40           H        ILE  40  22.765 -10.494 -15.014
  284    HA   ILE  40           HA       ILE  40  24.760  -8.343 -14.335
  285    HB   ILE  40           HB       ILE  40  24.282 -11.025 -13.015
  286   HG12  ILE  40          HG12      ILE  40  24.107  -8.265 -11.723
  287   HG13  ILE  40          HG13      ILE  40  22.702  -9.047 -12.433
  288   HG21  ILE  40          HG21      ILE  40  26.367  -8.959 -12.169
  289   HG22  ILE  40          HG22      ILE  40  26.116 -10.609 -11.538
  290   HG23  ILE  40          HG23      ILE  40  26.754 -10.391 -13.141
  291   HD11  ILE  40          HD11      ILE  40  24.340 -10.175 -10.150
  292   HD12  ILE  40          HD12      ILE  40  22.712  -9.476 -10.076
  293   HD13  ILE  40          HD13      ILE  40  22.960 -10.987 -10.949
  294    H    ASN  41           H        ASN  41  26.603  -8.440 -15.392
  295    HA   ASN  41           HA       ASN  41  27.343 -10.894 -16.925
  296    HB2  ASN  41           HB2      ASN  41  27.783  -8.052 -17.900
  297    HB3  ASN  41           HB3      ASN  41  27.830  -9.551 -18.820
  298   HD21  ASN  41          HD21      ASN  41  24.272  -7.563 -18.244
  299   HD22  ASN  41          HD22      ASN  41  25.691  -7.165 -17.277
  300    H    GLU  42           H        GLU  42  29.574 -11.457 -16.759
  301    HA   GLU  42           HA       GLU  42  31.331  -9.330 -15.661
  302    HB2  GLU  42           HB2      GLU  42  32.403 -10.711 -14.096
  303    HB3  GLU  42           HB3      GLU  42  30.691 -10.988 -13.891
  304    HG2  GLU  42           HG2      GLU  42  31.461 -13.131 -13.796
  305    HG3  GLU  42           HG3      GLU  42  31.120 -12.989 -15.529
  306    H    ARG  43           H        ARG  43  33.525  -9.368 -16.154
  307    HA   ARG  43           HA       ARG  43  34.298 -11.119 -18.445
  308    HB2  ARG  43           HB2      ARG  43  34.048  -8.751 -19.159
  309    HB3  ARG  43           HB3      ARG  43  35.305  -8.297 -18.010
  310    HG2  ARG  43           HG2      ARG  43  36.917  -9.808 -19.142
  311    HG3  ARG  43           HG3      ARG  43  35.677 -10.262 -20.317
  312    HD2  ARG  43           HD2      ARG  43  36.713  -7.432 -19.868
  313    HD3  ARG  43           HD3      ARG  43  37.303  -8.534 -21.124
  314    HE   ARG  43           HE       ARG  43  34.538  -8.429 -21.505
  315   HH11  ARG  43          HH11      ARG  43  37.151  -6.099 -21.679
  316   HH12  ARG  43          HH12      ARG  43  36.317  -5.110 -22.846
  317   HH21  ARG  43          HH21      ARG  43  33.520  -7.113 -22.984
  318   HH22  ARG  43          HH22      ARG  43  34.314  -5.682 -23.567
  319    HA   PRO  44           HA       PRO  44  37.089 -12.335 -15.180
  320    HB2  PRO  44           HB2      PRO  44  37.943 -14.702 -16.218
  321    HB3  PRO  44           HB3      PRO  44  36.286 -14.470 -15.599
  322    HG2  PRO  44           HG2      PRO  44  37.253 -14.322 -18.469
  323    HG3  PRO  44           HG3      PRO  44  35.835 -15.219 -17.824
  324    HD2  PRO  44           HD2      PRO  44  35.611 -12.747 -18.957
  325    HD3  PRO  44           HD3      PRO  44  34.565 -13.266 -17.600
  326    H    SER  45           H        SER  45  39.035 -11.482 -14.848
  327    HA   SER  45           HA       SER  45  41.000 -11.159 -17.074
  328    HB2  SER  45           HB2      SER  45  39.851  -8.974 -15.284
  329    HB3  SER  45           HB3      SER  45  41.267  -8.779 -16.335
  330    HG   SER  45           HG       SER  45  39.384  -8.059 -17.401
  331    H    ALA  46           H        ALA  46  42.266 -12.754 -16.063
  332    HA   ALA  46           HA       ALA  46  42.705 -12.983 -13.328
  333    HB1  ALA  46           HB1      ALA  46  44.448 -13.959 -15.635
  334    HB2  ALA  46           HB2      ALA  46  44.440 -14.620 -13.986
  335    HB3  ALA  46           HB3      ALA  46  42.998 -14.775 -15.003
  336    H    ARG  47           H        ARG  47  44.199 -10.641 -15.295
  337    HA   ARG  47           HA       ARG  47  46.540  -9.959 -13.816
  338    HB2  ARG  47           HB2      ARG  47  46.203  -7.708 -14.688
  339    HB3  ARG  47           HB3      ARG  47  45.896  -8.907 -15.941
  340    HG2  ARG  47           HG2      ARG  47  43.424  -8.672 -15.507
  341    HG3  ARG  47           HG3      ARG  47  43.764  -7.377 -14.361
  342    HD2  ARG  47           HD2      ARG  47  44.557  -7.336 -17.301
  343    HD3  ARG  47           HD3      ARG  47  43.081  -6.609 -16.641
  344    HE   ARG  47           HE       ARG  47  45.264  -5.559 -15.168
  345   HH11  ARG  47          HH11      ARG  47  44.003  -5.313 -18.432
  346   HH12  ARG  47          HH12      ARG  47  44.647  -3.712 -18.659
  347   HH21  ARG  47          HH21      ARG  47  46.071  -3.515 -15.532
  348   HH22  ARG  47          HH22      ARG  47  45.788  -2.727 -17.054
  349    H    ALA  48           H        ALA  48  43.164  -9.621 -12.883
  350    HA   ALA  48           HA       ALA  48  43.966  -8.676 -10.199
  351    HB1  ALA  48           HB1      ALA  48  42.266  -7.040 -12.127
  352    HB2  ALA  48           HB2      ALA  48  42.413  -6.704 -10.390
  353    HB3  ALA  48           HB3      ALA  48  43.836  -6.594 -11.436
  354    H    GLY  49           H        GLY  49  41.342 -10.013 -12.261
  355    HA2  GLY  49           HA2      GLY  49  40.037 -11.628 -10.554
  356    HA3  GLY  49           HA3      GLY  49  39.450 -10.070  -9.980
  357    H    SER  50           H        SER  50  37.594  -9.338 -10.900
  358    HA   SER  50           HA       SER  50  37.009  -9.990 -13.736
  359    HB2  SER  50           HB2      SER  50  34.614 -10.395 -13.122
  360    HB3  SER  50           HB3      SER  50  35.733 -11.688 -12.669
  361    HG   SER  50           HG       SER  50  34.390 -11.299 -10.945
  362    H    TRP  51           H        TRP  51  35.798  -8.540 -14.865
  363    HA   TRP  51           HA       TRP  51  35.008  -5.972 -13.553
  364    HB2  TRP  51           HB2      TRP  51  35.347  -6.912 -16.365
  365    HB3  TRP  51           HB3      TRP  51  33.967  -5.874 -16.065
  366    HD1  TRP  51           HD1      TRP  51  37.614  -5.732 -16.663
  367    HE1  TRP  51           HE1      TRP  51  38.472  -3.325 -16.479
  368    HE3  TRP  51           HE3      TRP  51  33.468  -3.575 -14.567
  369    HZ2  TRP  51           HZ2      TRP  51  37.431  -0.743 -15.649
  370    HZ3  TRP  51           HZ3      TRP  51  33.436  -1.129 -14.094
  371    HH2  TRP  51           HH2      TRP  51  35.383   0.286 -14.645
  372    H    ILE  52           H        ILE  52  32.957  -5.729 -12.817
  373    HA   ILE  52           HA       ILE  52  30.845  -7.679 -13.664
  374    HB   ILE  52           HB       ILE  52  30.915  -5.929 -11.176
  375   HG12  ILE  52          HG12      ILE  52  32.577  -7.649 -10.866
  376   HG13  ILE  52          HG13      ILE  52  31.165  -7.988  -9.876
  377   HG21  ILE  52          HG21      ILE  52  28.931  -8.060 -12.115
  378   HG22  ILE  52          HG22      ILE  52  28.975  -7.355 -10.485
  379   HG23  ILE  52          HG23      ILE  52  28.622  -6.324 -11.865
  380   HD11  ILE  52          HD11      ILE  52  31.757  -9.323 -12.542
  381   HD12  ILE  52          HD12      ILE  52  32.139 -10.018 -10.977
  382   HD13  ILE  52          HD13      ILE  52  30.441  -9.755 -11.433
  383    H    THR  53           H        THR  53  29.212  -6.935 -14.804
  384    HA   THR  53           HA       THR  53  28.681  -3.995 -14.997
  385    HB   THR  53           HB       THR  53  28.944  -5.928 -17.337
  386    HG1  THR  53           HG1      THR  53  30.796  -4.736 -17.804
  387   HG21  THR  53          HG21      THR  53  28.547  -2.903 -17.286
  388   HG22  THR  53          HG22      THR  53  28.756  -3.903 -18.733
  389   HG23  THR  53          HG23      THR  53  27.296  -4.080 -17.747
  390    H    ILE  54           H        ILE  54  26.621  -3.646 -14.463
  391    HA   ILE  54           HA       ILE  54  24.614  -5.815 -14.897
  392    HB   ILE  54           HB       ILE  54  24.742  -5.394 -12.647
  393   HG12  ILE  54          HG12      ILE  54  22.423  -5.594 -13.501
  394   HG13  ILE  54          HG13      ILE  54  22.611  -4.799 -11.951
  395   HG21  ILE  54          HG21      ILE  54  24.642  -2.428 -13.227
  396   HG22  ILE  54          HG22      ILE  54  24.383  -3.127 -11.608
  397   HG23  ILE  54          HG23      ILE  54  25.929  -3.365 -12.432
  398   HD11  ILE  54          HD11      ILE  54  21.876  -3.454 -14.579
  399   HD12  ILE  54          HD12      ILE  54  20.925  -3.594 -13.121
  400   HD13  ILE  54          HD13      ILE  54  22.351  -2.566 -13.117
  401    H    THR  55           H        THR  55  23.067  -5.621 -16.279
  402    HA   THR  55           HA       THR  55  22.694  -3.021 -17.687
  403    HB   THR  55           HB       THR  55  22.128  -4.454 -19.702
  404    HG1  THR  55           HG1      THR  55  22.627  -6.561 -19.661
  405   HG21  THR  55          HG21      THR  55  24.965  -4.660 -18.575
  406   HG22  THR  55          HG22      THR  55  24.505  -5.045 -20.245
  407   HG23  THR  55          HG23      THR  55  24.328  -3.396 -19.650
  408    H    VAL  56           H        VAL  56  20.662  -2.331 -18.114
  409    HA   VAL  56           HA       VAL  56  18.361  -3.917 -17.040
  410    HB   VAL  56           HB       VAL  56  18.787  -0.937 -17.299
  411   HG11  VAL  56          HG11      VAL  56  16.109  -2.380 -16.955
  412   HG12  VAL  56          HG12      VAL  56  16.392  -0.660 -16.599
  413   HG13  VAL  56          HG13      VAL  56  16.558  -1.243 -18.254
  414   HG21  VAL  56          HG21      VAL  56  19.400  -2.261 -15.222
  415   HG22  VAL  56          HG22      VAL  56  18.150  -1.027 -14.941
  416   HG23  VAL  56          HG23      VAL  56  17.699  -2.736 -15.082
  417    H    ASN  57           H        ASN  57  17.281  -4.932 -18.435
  418    HA   ASN  57           HA       ASN  57  16.627  -5.937 -20.343
  419    HB2  ASN  57           HB2      ASN  57  16.297  -3.108 -21.417
  420    HB3  ASN  57           HB3      ASN  57  15.673  -4.570 -22.162
  421   HD21  ASN  57          HD21      ASN  57  13.523  -2.859 -19.258
  422   HD22  ASN  57          HD22      ASN  57  14.965  -2.113 -19.936
  423    H    GLN  58           H        GLN  58  18.434  -3.266 -21.827
  424    HA   GLN  58           HA       GLN  58  20.513  -5.090 -22.888
  425    HB2  GLN  58           HB2      GLN  58  20.184  -4.272 -25.187
  426    HB3  GLN  58           HB3      GLN  58  18.786  -5.154 -24.584
  427    HG2  GLN  58           HG2      GLN  58  17.538  -3.090 -24.215
  428    HG3  GLN  58           HG3      GLN  58  18.949  -2.108 -24.602
  429   HE21  GLN  58          HE21      GLN  58  18.608  -2.586 -28.163
  430   HE22  GLN  58          HE22      GLN  58  19.772  -2.202 -26.904
  431    H    ASP  59           H        ASP  59  20.033  -2.446 -21.115
  432    HA   ASP  59           HA       ASP  59  22.195  -0.771 -22.360
  433    HB2  ASP  59           HB2      ASP  59  19.725  -0.030 -20.750
  434    HB3  ASP  59           HB3      ASP  59  21.043   1.085 -21.073
  435    H    VAL  60           H        VAL  60  24.002  -0.359 -21.154
  436    HA   VAL  60           HA       VAL  60  24.208  -1.504 -18.463
  437    HB   VAL  60           HB       VAL  60  26.125  -1.637 -19.925
  438   HG11  VAL  60          HG11      VAL  60  26.362   1.396 -19.766
  439   HG12  VAL  60          HG12      VAL  60  27.526   0.278 -20.498
  440   HG13  VAL  60          HG13      VAL  60  25.924   0.465 -21.217
  441   HG21  VAL  60          HG21      VAL  60  26.466  -1.551 -17.458
  442   HG22  VAL  60          HG22      VAL  60  27.848  -0.938 -18.386
  443   HG23  VAL  60          HG23      VAL  60  26.766   0.202 -17.582
  444    H    ILE  61           H        ILE  61  24.180  -0.569 -16.543
  445    HA   ILE  61           HA       ILE  61  23.834   2.409 -16.384
  446    HB   ILE  61           HB       ILE  61  22.324   1.918 -14.415
  447   HG12  ILE  61          HG12      ILE  61  21.675  -0.700 -15.773
  448   HG13  ILE  61          HG13      ILE  61  22.823  -0.615 -14.426
  449   HG21  ILE  61          HG21      ILE  61  21.255   1.257 -17.181
  450   HG22  ILE  61          HG22      ILE  61  20.340   1.950 -15.817
  451   HG23  ILE  61          HG23      ILE  61  21.617   2.893 -16.583
  452   HD11  ILE  61          HD11      ILE  61  19.958   0.411 -14.276
  453   HD12  ILE  61          HD12      ILE  61  20.520  -1.142 -13.673
  454   HD13  ILE  61          HD13      ILE  61  21.154   0.353 -12.965
  455    H    PHE  62           H        PHE  62  25.268  -0.475 -14.915
  456    HA   PHE  62           HA       PHE  62  27.051   1.310 -13.461
  457    HB2  PHE  62           HB2      PHE  62  25.384   1.167 -11.778
  458    HB3  PHE  62           HB3      PHE  62  25.146  -0.549 -12.005
  459    HD1  PHE  62           HD1      PHE  62  26.414  -2.092 -10.589
  460    HD2  PHE  62           HD2      PHE  62  27.697   2.010 -10.973
  461    HE1  PHE  62           HE1      PHE  62  28.256  -2.508  -8.956
  462    HE2  PHE  62           HE2      PHE  62  29.496   1.592  -9.318
  463    HZ   PHE  62           HZ       PHE  62  29.766  -0.660  -8.309
  464    H    GLN  63           H        GLN  63  28.994   0.402 -12.952
  465    HA   GLN  63           HA       GLN  63  29.470  -2.417 -13.235
  466    HB2  GLN  63           HB2      GLN  63  31.132  -2.300 -15.053
  467    HB3  GLN  63           HB3      GLN  63  29.504  -1.900 -15.588
  468    HG2  GLN  63           HG2      GLN  63  30.090   0.531 -15.522
  469    HG3  GLN  63           HG3      GLN  63  31.749   0.095 -15.099
  470   HE21  GLN  63          HE21      GLN  63  32.343  -1.371 -18.428
  471   HE22  GLN  63          HE22      GLN  63  32.602  -1.815 -16.751
  472    H    THR  64           H        THR  64  31.434  -3.111 -12.382
  473    HA   THR  64           HA       THR  64  33.381  -1.198 -11.289
  474    HB   THR  64           HB       THR  64  31.522  -1.102  -9.676
  475    HG1  THR  64           HG1      THR  64  32.853  -1.346  -7.911
  476   HG21  THR  64          HG21      THR  64  32.152  -4.017  -9.018
  477   HG22  THR  64          HG22      THR  64  30.956  -2.959  -8.235
  478   HG23  THR  64          HG23      THR  64  30.703  -3.485  -9.900
  479    H    PHE  65           H        PHE  65  35.109  -2.359 -10.032
  480    HA   PHE  65           HA       PHE  65  35.713  -4.956 -11.356
  481    HB2  PHE  65           HB2      PHE  65  37.245  -2.745 -11.288
  482    HB3  PHE  65           HB3      PHE  65  37.792  -3.488  -9.794
  483    HD1  PHE  65           HD1      PHE  65  38.554  -6.005  -9.950
  484    HD2  PHE  65           HD2      PHE  65  38.071  -3.425 -13.365
  485    HE1  PHE  65           HE1      PHE  65  39.840  -7.594 -11.332
  486    HE2  PHE  65           HE2      PHE  65  39.439  -4.984 -14.732
  487    HZ   PHE  65           HZ       PHE  65  40.285  -7.082 -13.750
  488    H    LEU  66           H        LEU  66  35.780  -6.809 -10.234
  489    HA   LEU  66           HA       LEU  66  35.692  -6.770  -7.250
  490    HB2  LEU  66           HB2      LEU  66  34.665  -8.705  -9.315
  491    HB3  LEU  66           HB3      LEU  66  35.121  -9.279  -7.721
  492    HG   LEU  66           HG       LEU  66  32.940  -7.257  -8.254
  493   HD11  LEU  66          HD11      LEU  66  32.867 -10.123  -7.174
  494   HD12  LEU  66          HD12      LEU  66  31.502  -9.088  -7.635
  495   HD13  LEU  66          HD13      LEU  66  32.597  -9.721  -8.866
  496   HD21  LEU  66          HD21      LEU  66  33.897  -6.806  -6.030
  497   HD22  LEU  66          HD22      LEU  66  32.381  -7.701  -5.832
  498   HD23  LEU  66          HD23      LEU  66  33.936  -8.540  -5.660
  499    H    PHE  67           H        PHE  67  37.155  -7.847  -6.089
  500    HA   PHE  67           HA       PHE  67  39.494  -9.094  -7.499
  501    HB2  PHE  67           HB2      PHE  67  39.540  -7.440  -4.967
  502    HB3  PHE  67           HB3      PHE  67  40.928  -8.132  -5.793
  503    HD1  PHE  67           HD1      PHE  67  38.315  -5.492  -5.900
  504    HD2  PHE  67           HD2      PHE  67  41.910  -7.014  -7.735
  505    HE1  PHE  67           HE1      PHE  67  38.556  -3.379  -7.173
  506    HE2  PHE  67           HE2      PHE  67  42.165  -4.874  -8.981
  507    HZ   PHE  67           HZ       PHE  67  40.482  -3.068  -8.720
  508    HA   PRO  68           HA       PRO  68  38.337 -12.536  -4.902
  509    HB2  PRO  68           HB2      PRO  68  40.230 -14.350  -5.612
  510    HB3  PRO  68           HB3      PRO  68  38.989 -13.764  -6.763
  511    HG2  PRO  68           HG2      PRO  68  41.830 -12.714  -6.422
  512    HG3  PRO  68           HG3      PRO  68  41.028 -13.243  -7.944
  513    HD2  PRO  68           HD2      PRO  68  41.141 -10.653  -7.207
  514    HD3  PRO  68           HD3      PRO  68  39.685 -11.340  -8.000
  515    H    LEU  69           H        LEU  69  41.652 -11.235  -4.680
  516    HA   LEU  69           HA       LEU  69  42.278 -12.635  -2.199
  517    HB2  LEU  69           HB2      LEU  69  43.918 -12.118  -3.995
  518    HB3  LEU  69           HB3      LEU  69  43.696 -10.392  -3.699
  519    HG   LEU  69           HG       LEU  69  44.666 -10.644  -1.428
  520   HD11  LEU  69          HD11      LEU  69  45.102 -13.554  -2.249
  521   HD12  LEU  69          HD12      LEU  69  45.837 -12.762  -0.837
  522   HD13  LEU  69          HD13      LEU  69  44.088 -12.979  -0.904
  523   HD21  LEU  69          HD21      LEU  69  46.106 -10.112  -3.355
  524   HD22  LEU  69          HD22      LEU  69  46.970 -11.075  -2.147
  525   HD23  LEU  69          HD23      LEU  69  46.381 -11.845  -3.638
  526    H    LYS  70           H        LYS  70  40.822  -9.600  -3.011
  527    HA   LYS  70           HA       LYS  70  41.287  -8.330  -0.372
  528    HB2  LYS  70           HB2      LYS  70  39.608  -7.363  -2.713
  529    HB3  LYS  70           HB3      LYS  70  40.060  -6.425  -1.290
  530    HG2  LYS  70           HG2      LYS  70  42.476  -6.647  -1.948
  531    HG3  LYS  70           HG3      LYS  70  41.959  -7.462  -3.436
  532    HD2  LYS  70           HD2      LYS  70  40.554  -5.420  -3.979
  533    HD3  LYS  70           HD3      LYS  70  41.278  -4.614  -2.577
  534    HE2  LYS  70           HE2      LYS  70  43.536  -4.912  -3.556
  535    HE3  LYS  70           HE3      LYS  70  42.845  -5.773  -4.937
  536    HZ1  LYS  70           HZ1      LYS  70  42.276  -2.926  -4.252
  537    HZ2  LYS  70           HZ2      LYS  70  43.252  -3.425  -5.459
  538    HZ3  LYS  70           HZ3      LYS  70  41.647  -3.722  -5.542
  539    H    ARG  71           H        ARG  71  39.463  -7.448   0.849
  540    HA   ARG  71           HA       ARG  71  37.215  -9.415   1.075
  541    HB2  ARG  71           HB2      ARG  71  38.429  -7.583   3.174
  542    HB3  ARG  71           HB3      ARG  71  37.067  -8.683   3.428
  543    HG2  ARG  71           HG2      ARG  71  38.524 -10.601   2.706
  544    HG3  ARG  71           HG3      ARG  71  39.909  -9.505   2.682
  545    HD2  ARG  71           HD2      ARG  71  38.153 -10.079   5.105
  546    HD3  ARG  71           HD3      ARG  71  39.709 -10.856   4.768
  547    HE   ARG  71           HE       ARG  71  40.207  -8.091   4.720
  548   HH11  ARG  71          HH11      ARG  71  39.210 -10.427   7.135
  549   HH12  ARG  71          HH12      ARG  71  39.907  -9.514   8.445
  550   HH21  ARG  71          HH21      ARG  71  41.064  -6.963   6.442
  551   HH22  ARG  71          HH22      ARG  71  40.933  -7.603   8.053
  552    H    ASP  72           H        ASP  72  37.390  -6.764  -0.611
  553    HA   ASP  72           HA       ASP  72  35.189  -5.200   0.441
  554    HB2  ASP  72           HB2      ASP  72  35.325  -3.884  -1.495
  555    HB3  ASP  72           HB3      ASP  72  36.964  -4.273  -1.035
  556    H    PHE  73           H        PHE  73  35.190  -8.157  -1.378
  557    HA   PHE  73           HA       PHE  73  33.248  -7.898  -3.247
  558    HB2  PHE  73           HB2      PHE  73  34.435  -9.928  -3.030
  559    HB3  PHE  73           HB3      PHE  73  33.857 -10.231  -1.400
  560    HD1  PHE  73           HD1      PHE  73  31.468 -10.946  -0.989
  561    HD2  PHE  73           HD2      PHE  73  33.161 -10.641  -4.948
  562    HE1  PHE  73           HE1      PHE  73  29.552 -12.213  -1.909
  563    HE2  PHE  73           HE2      PHE  73  31.248 -11.930  -5.865
  564    HZ   PHE  73           HZ       PHE  73  29.416 -12.673  -4.327
  565    H    GLU  74           H        GLU  74  32.401  -8.644   0.182
  566    HA   GLU  74           HA       GLU  74  29.578  -8.717  -0.247
  567    HB2  GLU  74           HB2      GLU  74  31.007  -9.473   1.777
  568    HB3  GLU  74           HB3      GLU  74  30.913  -7.791   2.317
  569    HG2  GLU  74           HG2      GLU  74  28.410  -7.953   2.260
  570    HG3  GLU  74           HG3      GLU  74  28.554  -9.634   1.732
  571    H    LYS  75           H        LYS  75  31.735  -6.051   0.566
  572    HA   LYS  75           HA       LYS  75  29.686  -4.037   1.006
  573    HB2  LYS  75           HB2      LYS  75  32.687  -3.690   0.400
  574    HB3  LYS  75           HB3      LYS  75  31.560  -2.443   0.928
  575    HG2  LYS  75           HG2      LYS  75  32.365  -2.948   2.975
  576    HG3  LYS  75           HG3      LYS  75  31.087  -4.160   2.920
  577    HD2  LYS  75           HD2      LYS  75  33.014  -5.689   1.870
  578    HD3  LYS  75           HD3      LYS  75  34.091  -4.495   2.584
  579    HE2  LYS  75           HE2      LYS  75  31.915  -6.057   4.057
  580    HE3  LYS  75           HE3      LYS  75  33.614  -6.535   3.992
  581    HZ1  LYS  75           HZ1      LYS  75  32.611  -4.011   5.236
  582    HZ2  LYS  75           HZ2      LYS  75  33.155  -5.320   6.040
  583    HZ3  LYS  75           HZ3      LYS  75  34.190  -4.441   5.138
  584    H    THR  76           H        THR  76  31.798  -4.845  -1.743
  585    HA   THR  76           HA       THR  76  30.726  -2.998  -3.631
  586    HB   THR  76           HB       THR  76  32.168  -5.655  -3.937
  587    HG1  THR  76           HG1      THR  76  33.873  -4.409  -3.917
  588   HG21  THR  76          HG21      THR  76  31.385  -3.616  -6.069
  589   HG22  THR  76          HG22      THR  76  32.698  -4.814  -6.268
  590   HG23  THR  76          HG23      THR  76  31.026  -5.354  -6.055
  591    H    VAL  77           H        VAL  77  29.623  -6.341  -2.832
  592    HA   VAL  77           HA       VAL  77  27.505  -6.425  -4.790
  593    HB   VAL  77           HB       VAL  77  27.870  -7.829  -2.124
  594   HG11  VAL  77          HG11      VAL  77  25.601  -8.176  -4.128
  595   HG12  VAL  77          HG12      VAL  77  25.972  -9.296  -2.798
  596   HG13  VAL  77          HG13      VAL  77  25.436  -7.669  -2.428
  597   HG21  VAL  77          HG21      VAL  77  29.289  -8.484  -4.150
  598   HG22  VAL  77          HG22      VAL  77  28.305  -9.772  -3.459
  599   HG23  VAL  77          HG23      VAL  77  27.775  -8.961  -4.948
  600    H    VAL  78           H        VAL  78  27.392  -5.428  -1.304
  601    HA   VAL  78           HA       VAL  78  24.630  -4.678  -1.386
  602    HB   VAL  78           HB       VAL  78  26.893  -3.811   0.450
  603   HG11  VAL  78          HG11      VAL  78  23.894  -3.323   0.761
  604   HG12  VAL  78          HG12      VAL  78  25.103  -3.119   2.047
  605   HG13  VAL  78          HG13      VAL  78  25.160  -2.081   0.625
  606   HG21  VAL  78          HG21      VAL  78  26.239  -6.234   0.506
  607   HG22  VAL  78          HG22      VAL  78  25.861  -5.395   2.011
  608   HG23  VAL  78          HG23      VAL  78  24.566  -5.754   0.845
  609    H    ALA  79           H        ALA  79  27.572  -2.792  -2.065
  610    HA   ALA  79           HA       ALA  79  26.223  -0.263  -2.364
  611    HB1  ALA  79           HB1      ALA  79  28.896  -1.287  -3.415
  612    HB2  ALA  79           HB2      ALA  79  28.409   0.425  -3.268
  613    HB3  ALA  79           HB3      ALA  79  28.613  -0.571  -1.813
  614    H    ALA  80           H        ALA  80  26.916  -2.931  -4.690
  615    HA   ALA  80           HA       ALA  80  26.192  -1.452  -7.042
  616    HB1  ALA  80           HB1      ALA  80  25.998  -4.448  -6.470
  617    HB2  ALA  80           HB2      ALA  80  26.024  -3.669  -8.067
  618    HB3  ALA  80           HB3      ALA  80  27.461  -3.604  -7.020
  619    H    LEU  81           H        LEU  81  24.222  -2.960  -4.527
  620    HA   LEU  81           HA       LEU  81  21.751  -3.167  -6.009
  621    HB2  LEU  81           HB2      LEU  81  21.994  -2.542  -3.042
  622    HB3  LEU  81           HB3      LEU  81  20.656  -3.309  -3.866
  623    HG   LEU  81           HG       LEU  81  23.399  -4.542  -3.506
  624   HD11  LEU  81          HD11      LEU  81  20.844  -5.068  -1.973
  625   HD12  LEU  81          HD12      LEU  81  22.403  -5.911  -1.780
  626   HD13  LEU  81          HD13      LEU  81  22.266  -4.196  -1.361
  627   HD21  LEU  81          HD21      LEU  81  22.151  -5.509  -5.421
  628   HD22  LEU  81          HD22      LEU  81  22.346  -6.666  -4.096
  629   HD23  LEU  81          HD23      LEU  81  20.790  -5.859  -4.325
  630    H    ILE  82           H        ILE  82  23.061  -0.624  -3.887
  631    HA   ILE  82           HA       ILE  82  20.963   1.303  -4.334
  632    HB   ILE  82           HB       ILE  82  23.823   1.708  -3.359
  633   HG12  ILE  82          HG12      ILE  82  21.246   1.348  -1.753
  634   HG13  ILE  82          HG13      ILE  82  22.463   0.094  -1.977
  635   HG21  ILE  82          HG21      ILE  82  21.370   3.519  -3.105
  636   HG22  ILE  82          HG22      ILE  82  22.964   3.826  -2.382
  637   HG23  ILE  82          HG23      ILE  82  22.791   3.834  -4.124
  638   HD11  ILE  82          HD11      ILE  82  22.846   2.688  -0.453
  639   HD12  ILE  82          HD12      ILE  82  22.814   1.036   0.175
  640   HD13  ILE  82          HD13      ILE  82  24.160   1.554  -0.858
  641    H    GLN  83           H        GLN  83  24.245   0.936  -5.776
  642    HA   GLN  83           HA       GLN  83  24.007   3.258  -7.436
  643    HB2  GLN  83           HB2      GLN  83  25.801   0.801  -7.605
  644    HB3  GLN  83           HB3      GLN  83  25.982   2.217  -8.651
  645    HG2  GLN  83           HG2      GLN  83  26.377   3.680  -6.786
  646    HG3  GLN  83           HG3      GLN  83  26.022   2.428  -5.605
  647   HE21  GLN  83          HE21      GLN  83  29.165   0.725  -6.044
  648   HE22  GLN  83          HE22      GLN  83  27.446   0.423  -5.726
  649    H    THR  84           H        THR  84  22.891  -0.043  -7.967
  650    HA   THR  84           HA       THR  84  22.271   0.197 -10.775
  651    HB   THR  84           HB       THR  84  20.984  -1.481  -8.590
  652    HG1  THR  84           HG1      THR  84  23.074  -2.084  -8.947
  653   HG21  THR  84          HG21      THR  84  20.803  -1.779 -11.595
  654   HG22  THR  84          HG22      THR  84  20.190  -2.909 -10.378
  655   HG23  THR  84          HG23      THR  84  19.453  -1.308 -10.549
  656    H    GLU  85           H        GLU  85  20.278   0.952  -7.798
  657    HA   GLU  85           HA       GLU  85  18.111   1.889  -9.546
  658    HB2  GLU  85           HB2      GLU  85  16.925   2.507  -7.616
  659    HB3  GLU  85           HB3      GLU  85  17.570   0.890  -7.378
  660    HG2  GLU  85           HG2      GLU  85  19.160   1.635  -5.783
  661    HG3  GLU  85           HG3      GLU  85  18.981   3.332  -6.235
  662    H    GLU  86           H        GLU  86  20.840   3.485  -7.878
  663    HA   GLU  86           HA       GLU  86  19.944   6.145  -8.146
  664    HB2  GLU  86           HB2      GLU  86  22.703   4.921  -8.121
  665    HB3  GLU  86           HB3      GLU  86  22.471   6.666  -8.219
  666    HG2  GLU  86           HG2      GLU  86  21.041   5.098  -6.070
  667    HG3  GLU  86           HG3      GLU  86  22.744   5.508  -5.877
  668    H    ALA  87           H        ALA  87  21.311   4.080 -10.676
  669    HA   ALA  87           HA       ALA  87  21.601   6.120 -12.693
  670    HB1  ALA  87           HB1      ALA  87  20.927   3.144 -12.955
  671    HB2  ALA  87           HB2      ALA  87  21.539   4.201 -14.237
  672    HB3  ALA  87           HB3      ALA  87  22.568   3.829 -12.837
  673    H    LEU  88           H        LEU  88  18.843   4.109 -11.635
  674    HA   LEU  88           HA       LEU  88  17.117   5.020 -13.835
  675    HB2  LEU  88           HB2      LEU  88  16.494   3.227 -11.475
  676    HB3  LEU  88           HB3      LEU  88  15.538   3.393 -12.946
  677    HG   LEU  88           HG       LEU  88  18.296   2.110 -12.661
  678   HD11  LEU  88          HD11      LEU  88  15.594   0.968 -13.436
  679   HD12  LEU  88          HD12      LEU  88  17.119   0.073 -13.212
  680   HD13  LEU  88          HD13      LEU  88  16.342   0.842 -11.823
  681   HD21  LEU  88          HD21      LEU  88  18.262   3.136 -14.837
  682   HD22  LEU  88          HD22      LEU  88  17.935   1.415 -15.055
  683   HD23  LEU  88          HD23      LEU  88  16.589   2.569 -15.140
  684    H    ASN  89           H        ASN  89  17.670   5.795 -10.510
  685    HA   ASN  89           HA       ASN  89  15.279   7.086  -9.810
  686    HB2  ASN  89           HB2      ASN  89  18.115   7.053  -8.863
  687    HB3  ASN  89           HB3      ASN  89  17.199   8.424  -8.341
  688   HD21  ASN  89          HD21      ASN  89  16.628   4.990  -6.449
  689   HD22  ASN  89          HD22      ASN  89  17.729   5.152  -7.822
  690    H    ARG  90           H        ARG  90  17.897   8.356 -11.798
  691    HA   ARG  90           HA       ARG  90  16.493  10.981 -12.045
  692    HB2  ARG  90           HB2      ARG  90  18.927  10.827 -11.567
  693    HB3  ARG  90           HB3      ARG  90  19.181  10.021 -13.111
  694    HG2  ARG  90           HG2      ARG  90  19.841  12.361 -13.194
  695    HG3  ARG  90           HG3      ARG  90  18.521  12.070 -14.317
  696    HD2  ARG  90           HD2      ARG  90  16.916  13.079 -12.747
  697    HD3  ARG  90           HD3      ARG  90  18.170  13.265 -11.524
  698    HE   ARG  90           HE       ARG  90  17.750  14.866 -13.971
  699   HH11  ARG  90          HH11      ARG  90  19.994  14.285 -11.328
  700   HH12  ARG  90          HH12      ARG  90  20.800  15.809 -11.568
  701   HH21  ARG  90          HH21      ARG  90  18.825  16.783 -14.212
  702   HH22  ARG  90          HH22      ARG  90  20.153  17.182 -13.163
  703    H    ARG  91           H        ARG  91  16.388   8.023 -13.612
  704    HA   ARG  91           HA       ARG  91  15.818   9.065 -16.359
  705    HB2  ARG  91           HB2      ARG  91  15.858   6.257 -15.186
  706    HB3  ARG  91           HB3      ARG  91  15.424   6.617 -16.856
  707    HG2  ARG  91           HG2      ARG  91  17.628   7.415 -17.372
  708    HG3  ARG  91           HG3      ARG  91  18.121   7.369 -15.684
  709    HD2  ARG  91           HD2      ARG  91  18.758   5.201 -15.889
  710    HD3  ARG  91           HD3      ARG  91  17.137   4.731 -16.297
  711    HE   ARG  91           HE       ARG  91  19.384   5.403 -18.149
  712   HH11  ARG  91          HH11      ARG  91  16.039   4.284 -18.025
  713   HH12  ARG  91          HH12      ARG  91  16.076   3.791 -19.690
  714   HH21  ARG  91          HH21      ARG  91  19.326   4.748 -20.244
  715   HH22  ARG  91          HH22      ARG  91  17.884   4.042 -20.907
  716    H    GLN  92           H        GLN  92  14.143   7.153 -13.886
  717    HA   GLN  92           HA       GLN  92  11.484   7.998 -14.993
  718    HB2  GLN  92           HB2      GLN  92  10.786   5.615 -14.955
  719    HB3  GLN  92           HB3      GLN  92  11.951   6.039 -16.205
  720    HG2  GLN  92           HG2      GLN  92  13.757   4.919 -15.054
  721    HG3  GLN  92           HG3      GLN  92  12.791   4.689 -13.599
  722   HE21  GLN  92          HE21      GLN  92  10.905   1.941 -14.997
  723   HE22  GLN  92          HE22      GLN  92  10.810   3.226 -13.801
  724    H    ILE  93           H        ILE  93  13.140   6.468 -12.210
  725    HA   ILE  93           HA       ILE  93  10.680   6.261 -10.692
  726    HB   ILE  93           HB       ILE  93  13.378   6.366  -9.348
  727   HG12  ILE  93          HG12      ILE  93  12.231   3.981 -10.869
  728   HG13  ILE  93          HG13      ILE  93  13.727   4.836 -11.250
  729   HG21  ILE  93          HG21      ILE  93  10.860   4.734  -8.813
  730   HG22  ILE  93          HG22      ILE  93  12.305   4.818  -7.777
  731   HG23  ILE  93          HG23      ILE  93  11.304   6.237  -7.964
  732   HD11  ILE  93          HD11      ILE  93  13.263   3.072  -8.834
  733   HD12  ILE  93          HD12      ILE  93  14.337   2.800 -10.207
  734   HD13  ILE  93          HD13      ILE  93  14.697   4.110  -9.065
  735    H    ASN  94           H        ASN  94  12.725   8.932 -11.368
  736    HA   ASN  94           HA       ASN  94  12.409  10.600  -9.178
  737    HB2  ASN  94           HB2      ASN  94  13.559  10.821 -11.684
  738    HB3  ASN  94           HB3      ASN  94  12.183  11.878 -11.906
  739   HD21  ASN  94          HD21      ASN  94  15.257  12.914  -9.391
  740   HD22  ASN  94          HD22      ASN  94  15.061  11.249  -9.958
  741    H    GLN  95           H        GLN  95  10.041  10.116 -11.828
  742    HA   GLN  95           HA       GLN  95   8.129  12.061 -10.816
  743    HB2  GLN  95           HB2      GLN  95   7.764   9.693 -12.703
  744    HB3  GLN  95           HB3      GLN  95   6.562  10.950 -12.387
  745    HG2  GLN  95           HG2      GLN  95   8.118  12.671 -13.283
  746    HG3  GLN  95           HG3      GLN  95   9.307  11.421 -13.642
  747   HE21  GLN  95          HE21      GLN  95   7.506  10.159 -16.489
  748   HE22  GLN  95          HE22      GLN  95   8.670   9.724 -15.242
  749    H    ALA  96           H        ALA  96   8.536   8.533 -10.484
  750    HA   ALA  96           HA       ALA  96   6.127   8.027  -9.094
  751    HB1  ALA  96           HB1      ALA  96   8.742   6.463  -9.066
  752    HB2  ALA  96           HB2      ALA  96   7.150   5.848  -8.591
  753    HB3  ALA  96           HB3      ALA  96   7.442   6.315 -10.274
  754    H    LEU  97           H        LEU  97   9.426   8.652  -7.814
  755    HA   LEU  97           HA       LEU  97   8.605   8.438  -5.049
  756    HB2  LEU  97           HB2      LEU  97  10.825   9.048  -4.501
  757    HB3  LEU  97           HB3      LEU  97  10.836   7.950  -5.870
  758    HG   LEU  97           HG       LEU  97  11.051  10.187  -7.276
  759   HD11  LEU  97          HD11      LEU  97  12.303  11.008  -4.615
  760   HD12  LEU  97          HD12      LEU  97  12.464  11.875  -6.156
  761   HD13  LEU  97          HD13      LEU  97  10.897  11.789  -5.358
  762   HD21  LEU  97          HD21      LEU  97  12.726   8.389  -7.211
  763   HD22  LEU  97          HD22      LEU  97  13.522   9.967  -7.144
  764   HD23  LEU  97          HD23      LEU  97  13.347   8.998  -5.667
  765    H    LEU  98           H        LEU  98   8.709  11.113  -7.282
  766    HA   LEU  98           HA       LEU  98   8.344  13.197  -5.294
  767    HB2  LEU  98           HB2      LEU  98   9.444  13.607  -7.442
  768    HB3  LEU  98           HB3      LEU  98   7.974  13.158  -8.313
  769    HG   LEU  98           HG       LEU  98   6.804  15.132  -7.364
  770   HD11  LEU  98          HD11      LEU  98   9.539  15.814  -6.186
  771   HD12  LEU  98          HD12      LEU  98   8.146  16.916  -6.265
  772   HD13  LEU  98          HD13      LEU  98   8.057  15.464  -5.265
  773   HD21  LEU  98          HD21      LEU  98   7.950  15.267  -9.539
  774   HD22  LEU  98          HD22      LEU  98   8.011  16.816  -8.683
  775   HD23  LEU  98          HD23      LEU  98   9.450  15.771  -8.729
  776    H    SER  99           H        SER  99   6.115  11.416  -7.483
  777    HA   SER  99           HA       SER  99   3.853  12.174  -5.744
  778    HB2  SER  99           HB2      SER  99   4.114  14.072  -7.325
  779    HB3  SER  99           HB3      SER  99   3.933  12.953  -8.686
  780    HG   SER  99           HG       SER  99   1.952  14.037  -8.082
  781    H    THR 100           H        THR 100   4.741  10.441  -8.778
  782    HA   THR 100           HA       THR 100   2.019   9.461  -8.896
  783    HB   THR 100           HB       THR 100   2.601   8.626 -11.122
  784    HG1  THR 100           HG1      THR 100   4.669   8.802 -11.879
  785   HG21  THR 100          HG21      THR 100   3.810  11.393 -10.695
  786   HG22  THR 100          HG22      THR 100   3.119  10.733 -12.189
  787   HG23  THR 100          HG23      THR 100   2.065  11.060 -10.803
  788    H    GLY 101           H        GLY 101   4.667   7.948  -7.437
  789    HA2  GLY 101           HA2      GLY 101   4.015   5.206  -8.266
  790    HA3  GLY 101           HA3      GLY 101   5.217   5.718  -7.081
  791    H    ASP 102           H        ASP 102   3.597   7.181  -5.316
  792    HA   ASP 102           HA       ASP 102   1.644   5.334  -4.101
  793    HB2  ASP 102           HB2      ASP 102   4.446   5.777  -2.974
  794    HB3  ASP 102           HB3      ASP 102   3.099   5.207  -2.000
  795    H    LEU 103           H        LEU 103   0.922   6.126  -1.953
  796    HA   LEU 103           HA       LEU 103   0.541   8.976  -1.759
  797    HB2  LEU 103           HB2      LEU 103  -0.768   8.552   0.072
  798    HB3  LEU 103           HB3      LEU 103  -0.968   7.084  -0.868
  799    HG   LEU 103           HG       LEU 103   0.835   7.411   1.588
  800   HD11  LEU 103          HD11      LEU 103  -1.835   5.983   1.256
  801   HD12  LEU 103          HD12      LEU 103  -0.840   6.030   2.729
  802   HD13  LEU 103          HD13      LEU 103  -1.572   7.518   2.113
  803   HD21  LEU 103          HD21      LEU 103   1.722   5.640   0.142
  804   HD22  LEU 103          HD22      LEU 103   0.960   4.932   1.564
  805   HD23  LEU 103          HD23      LEU 103   0.103   4.905   0.006
  806    H    ALA 104           H        ALA 104   1.166  10.297   0.087
  807    HA   ALA 104           HA       ALA 104   3.650   9.547   1.509
  808    HB1  ALA 104           HB1      ALA 104   3.376  12.077  -0.180
  809    HB2  ALA 104           HB2      ALA 104   4.783  11.623   0.810
  810    HB3  ALA 104           HB3      ALA 104   4.348  10.650  -0.603
  811    H    HIS 105           H        HIS 105   0.966   9.757   2.491
  812    HA   HIS 105           HA       HIS 105   0.379  12.370   3.511
  813    HB2  HIS 105           HB2      HIS 105  -1.309  10.673   2.941
  814    HB3  HIS 105           HB3      HIS 105  -0.747   9.646   4.261
  815    HD2  HIS 105           HD2      HIS 105  -2.272  13.220   3.782
  816    HE1  HIS 105           HE1      HIS 105  -3.610  11.741   7.556
  817    HE2  HIS 105           HE2      HIS 105  -3.776  13.671   5.902
  818    H    ASP 106           H        ASP 106   1.727   9.497   5.186
  819    HA   ASP 106           HA       ASP 106   2.668  11.213   7.407
  820    HB2  ASP 106           HB2      ASP 106   0.280  10.540   7.860
  821    HB3  ASP 106           HB3      ASP 106   0.797   8.857   7.860
  822    H    GLU 107           H        GLU 107   4.209   9.845   5.435
  823    HA   GLU 107           HA       GLU 107   5.099   7.258   6.362
  824    HB2  GLU 107           HB2      GLU 107   6.418   9.246   4.481
  825    HB3  GLU 107           HB3      GLU 107   6.942   7.581   4.755
  826    HG2  GLU 107           HG2      GLU 107   4.660   6.806   3.995
  827    HG3  GLU 107           HG3      GLU 107   4.320   8.469   3.504
  828    H    PHE 108           H        PHE 108   6.277  10.535   6.998
  829    HA   PHE 108           HA       PHE 108   8.207   9.566   9.025
  830    HB2  PHE 108           HB2      PHE 108   8.938  11.376   6.689
  831    HB3  PHE 108           HB3      PHE 108   9.949  11.077   8.090
  832    HD1  PHE 108           HD1      PHE 108  10.931   8.805   8.503
  833    HD2  PHE 108           HD2      PHE 108   8.801   9.748   4.878
  834    HE1  PHE 108           HE1      PHE 108  11.932   6.814   7.396
  835    HE2  PHE 108           HE2      PHE 108   9.803   7.759   3.770
  836    HZ   PHE 108           HZ       PHE 108  11.368   6.290   5.030
  Start of MODEL   13
    1    H1   ALA   1           H1       ALA   1  -4.661  -1.526  -4.205
    2    H2   ALA   1           H2       ALA   1  -5.015  -1.996  -5.732
    3    H3   ALA   1           H3       ALA   1  -4.847  -0.405  -5.386
    4    HA   ALA   1           HA       ALA   1  -2.906  -1.206  -6.555
    5    HB1  ALA   1           HB1      ALA   1  -2.324  -0.515  -3.632
    6    HB2  ALA   1           HB2      ALA   1  -1.181  -0.393  -4.983
    7    HB3  ALA   1           HB3      ALA   1  -2.607   0.652  -4.944
    8    H    VAL   2           H        VAL   2  -0.885  -2.475  -6.441
    9    HA   VAL   2           HA       VAL   2  -0.837  -4.833  -4.680
   10    HB   VAL   2           HB       VAL   2  -2.230  -5.582  -6.542
   11   HG11  VAL   2          HG11      VAL   2   0.136  -5.065  -8.390
   12   HG12  VAL   2          HG12      VAL   2  -1.393  -5.856  -8.811
   13   HG13  VAL   2          HG13      VAL   2  -1.384  -4.144  -8.373
   14   HG21  VAL   2          HG21      VAL   2  -0.696  -7.188  -5.423
   15   HG22  VAL   2          HG22      VAL   2  -1.072  -7.615  -7.098
   16   HG23  VAL   2          HG23      VAL   2   0.502  -6.903  -6.714
   17    H    GLU   3           H        GLU   3   1.213  -5.649  -4.335
   18    HA   GLU   3           HA       GLU   3   3.453  -4.770  -6.044
   19    HB2  GLU   3           HB2      GLU   3   3.241  -3.048  -4.247
   20    HB3  GLU   3           HB3      GLU   3   3.432  -4.309  -3.032
   21    HG2  GLU   3           HG2      GLU   3   5.546  -3.179  -3.348
   22    HG3  GLU   3           HG3      GLU   3   5.701  -4.822  -3.956
   23    H    VAL   4           H        VAL   4   4.156  -6.696  -6.706
   24    HA   VAL   4           HA       VAL   4   4.959  -8.796  -4.781
   25    HB   VAL   4           HB       VAL   4   3.148  -9.343  -7.177
   26   HG11  VAL   4          HG11      VAL   4   4.313 -11.257  -5.102
   27   HG12  VAL   4          HG12      VAL   4   3.080 -11.681  -6.307
   28   HG13  VAL   4          HG13      VAL   4   4.688 -11.230  -6.844
   29   HG21  VAL   4          HG21      VAL   4   1.801  -8.459  -5.323
   30   HG22  VAL   4          HG22      VAL   4   1.499 -10.180  -5.524
   31   HG23  VAL   4          HG23      VAL   4   2.546  -9.618  -4.202
   32    H    GLU   5           H        GLU   5   6.628 -10.146  -5.643
   33    HA   GLU   5           HA       GLU   5   8.322  -8.907  -7.652
   34    HB2  GLU   5           HB2      GLU   5   8.647 -11.531  -6.153
   35    HB3  GLU   5           HB3      GLU   5   9.890 -10.717  -7.103
   36    HG2  GLU   5           HG2      GLU   5   8.614  -9.713  -4.529
   37    HG3  GLU   5           HG3      GLU   5  10.245 -10.329  -4.734
   38    H    VAL   6           H        VAL   6   6.204  -9.270  -9.079
   39    HA   VAL   6           HA       VAL   6   6.004 -11.783 -10.506
   40    HB   VAL   6           HB       VAL   6   4.770  -9.054 -10.923
   41   HG11  VAL   6          HG11      VAL   6   4.318 -11.571 -12.595
   42   HG12  VAL   6          HG12      VAL   6   3.288 -10.123 -12.617
   43   HG13  VAL   6          HG13      VAL   6   4.953 -10.016 -13.183
   44   HG21  VAL   6          HG21      VAL   6   3.956 -10.432  -9.039
   45   HG22  VAL   6          HG22      VAL   6   2.722 -10.231 -10.285
   46   HG23  VAL   6          HG23      VAL   6   3.610 -11.765 -10.156
   47    HA   PRO   7           HA       PRO   7   8.515  -9.858 -14.015
   48    HB2  PRO   7           HB2      PRO   7   9.623  -7.412 -14.003
   49    HB3  PRO   7           HB3      PRO   7   7.880  -7.613 -14.305
   50    HG2  PRO   7           HG2      PRO   7   9.211  -6.981 -11.651
   51    HG3  PRO   7           HG3      PRO   7   7.863  -6.091 -12.438
   52    HD2  PRO   7           HD2      PRO   7   7.416  -7.990 -10.545
   53    HD3  PRO   7           HD3      PRO   7   6.324  -7.807 -11.952
   54    H    GLY   8           H        GLY   8  10.808  -9.556 -14.517
   55    HA2  GLY   8           HA2      GLY   8  13.034  -8.983 -13.249
   56    HA3  GLY   8           HA3      GLY   8  12.649 -10.429 -12.323
   57    H    LEU   9           H        LEU   9  14.896  -9.740 -14.235
   58    HA   LEU   9           HA       LEU   9  14.925 -12.356 -15.556
   59    HB2  LEU   9           HB2      LEU   9  15.571 -11.512 -17.770
   60    HB3  LEU   9           HB3      LEU   9  13.932 -11.177 -17.278
   61    HG   LEU   9           HG       LEU   9  14.611  -8.799 -16.768
   62   HD11  LEU   9          HD11      LEU   9  17.107  -9.575 -18.331
   63   HD12  LEU   9          HD12      LEU   9  16.595  -7.909 -17.977
   64   HD13  LEU   9          HD13      LEU   9  17.048  -8.994 -16.659
   65   HD21  LEU   9          HD21      LEU   9  13.400  -9.450 -18.805
   66   HD22  LEU   9          HD22      LEU   9  14.534  -8.133 -19.138
   67   HD23  LEU   9          HD23      LEU   9  14.939  -9.794 -19.620
   68    H    LEU  10           H        LEU  10  16.297 -11.520 -13.275
   69    HA   LEU  10           HA       LEU  10  19.081 -10.947 -13.821
   70    HB2  LEU  10           HB2      LEU  10  17.616 -12.227 -11.495
   71    HB3  LEU  10           HB3      LEU  10  19.360 -12.218 -11.549
   72    HG   LEU  10           HG       LEU  10  17.941  -9.604 -11.960
   73   HD11  LEU  10          HD11      LEU  10  18.386 -10.924  -9.245
   74   HD12  LEU  10          HD12      LEU  10  17.930  -9.225  -9.498
   75   HD13  LEU  10          HD13      LEU  10  16.817 -10.517  -9.974
   76   HD21  LEU  10          HD21      LEU  10  20.429  -9.766 -12.123
   77   HD22  LEU  10          HD22      LEU  10  19.907  -8.708 -10.797
   78   HD23  LEU  10          HD23      LEU  10  20.475 -10.347 -10.434
   79    H    THR  11           H        THR  11  20.184 -12.144 -15.238
   80    HA   THR  11           HA       THR  11  20.122 -15.113 -14.950
   81    HB   THR  11           HB       THR  11  20.902 -13.412 -17.323
   82    HG1  THR  11           HG1      THR  11  19.085 -14.384 -18.210
   83   HG21  THR  11          HG21      THR  11  21.033 -16.430 -16.899
   84   HG22  THR  11          HG22      THR  11  21.046 -15.658 -18.496
   85   HG23  THR  11          HG23      THR  11  22.360 -15.333 -17.364
   86    H    ASP  12           H        ASP  12  21.866 -16.231 -14.507
   87    HA   ASP  12           HA       ASP  12  24.300 -15.021 -13.529
   88    HB2  ASP  12           HB2      ASP  12  24.950 -17.307 -13.064
   89    HB3  ASP  12           HB3      ASP  12  23.336 -16.981 -12.468
   90    H    HIS  13           H        HIS  13  24.393 -13.876 -15.786
   91    HA   HIS  13           HA       HIS  13  25.896 -15.405 -17.833
   92    HB2  HIS  13           HB2      HIS  13  24.952 -12.533 -17.639
   93    HB3  HIS  13           HB3      HIS  13  26.080 -13.064 -18.881
   94    HD2  HIS  13           HD2      HIS  13  24.834 -15.697 -19.943
   95    HE1  HIS  13           HE1      HIS  13  21.319 -13.398 -20.680
   96    HE2  HIS  13           HE2      HIS  13  22.571 -15.535 -21.279
   97    H    THR  14           H        THR  14  27.052 -15.748 -15.452
   98    HA   THR  14           HA       THR  14  29.511 -14.145 -15.560
   99    HB   THR  14           HB       THR  14  29.592 -14.074 -13.096
  100    HG1  THR  14           HG1      THR  14  27.693 -14.530 -11.958
  101   HG21  THR  14          HG21      THR  14  26.973 -12.858 -14.041
  102   HG22  THR  14          HG22      THR  14  27.999 -12.331 -12.694
  103   HG23  THR  14          HG23      THR  14  28.570 -12.146 -14.359
  104    H    VAL  15           H        VAL  15  31.439 -15.230 -15.355
  105    HA   VAL  15           HA       VAL  15  31.351 -18.149 -14.728
  106    HB   VAL  15           HB       VAL  15  32.701 -18.632 -16.714
  107   HG11  VAL  15          HG11      VAL  15  30.078 -17.274 -17.404
  108   HG12  VAL  15          HG12      VAL  15  30.892 -18.576 -18.298
  109   HG13  VAL  15          HG13      VAL  15  30.242 -18.885 -16.676
  110   HG21  VAL  15          HG21      VAL  15  33.685 -16.404 -17.196
  111   HG22  VAL  15          HG22      VAL  15  32.838 -17.076 -18.594
  112   HG23  VAL  15          HG23      VAL  15  32.078 -15.789 -17.636
  113    H    SER  16           H        SER  16  32.259 -16.206 -12.999
  114    HA   SER  16           HA       SER  16  35.213 -16.767 -12.800
  115    HB2  SER  16           HB2      SER  16  35.207 -14.507 -13.314
  116    HB3  SER  16           HB3      SER  16  33.656 -14.220 -12.513
  117    HG   SER  16           HG       SER  16  36.204 -14.198 -11.439
  118    H    SER  17           H        SER  17  36.062 -17.164 -10.692
  119    HA   SER  17           HA       SER  17  34.426 -18.484  -8.820
  120    HB2  SER  17           HB2      SER  17  37.063 -17.064  -8.281
  121    HB3  SER  17           HB3      SER  17  36.337 -18.356  -7.304
  122    HG   SER  17           HG       SER  17  37.920 -19.179  -8.767
  123    H    ILE  18           H        ILE  18  35.286 -15.037  -8.950
  124    HA   ILE  18           HA       ILE  18  33.581 -14.441  -6.568
  125    HB   ILE  18           HB       ILE  18  34.324 -12.003  -7.297
  126   HG12  ILE  18          HG12      ILE  18  36.748 -13.610  -8.211
  127   HG13  ILE  18          HG13      ILE  18  35.533 -12.912  -9.300
  128   HG21  ILE  18          HG21      ILE  18  36.132 -13.913  -5.768
  129   HG22  ILE  18          HG22      ILE  18  36.091 -12.137  -5.616
  130   HG23  ILE  18          HG23      ILE  18  34.700 -13.085  -5.112
  131   HD11  ILE  18          HD11      ILE  18  37.079 -11.171  -7.418
  132   HD12  ILE  18          HD12      ILE  18  37.651 -11.627  -9.043
  133   HD13  ILE  18          HD13      ILE  18  36.141 -10.755  -8.876
  134    H    GLY  19           H        GLY  19  33.626 -13.816 -10.132
  135    HA2  GLY  19           HA2      GLY  19  31.315 -12.103 -10.043
  136    HA3  GLY  19           HA3      GLY  19  31.942 -12.931 -11.466
  137    H    HIS  20           H        HIS  20  31.540 -15.647 -10.233
  138    HA   HIS  20           HA       HIS  20  28.756 -16.180 -10.803
  139    HB2  HIS  20           HB2      HIS  20  30.536 -17.835 -11.126
  140    HB3  HIS  20           HB3      HIS  20  30.878 -17.833  -9.393
  141    HD2  HIS  20           HD2      HIS  20  29.372 -19.315  -7.827
  142    HE1  HIS  20           HE1      HIS  20  26.773 -20.911 -10.811
  143    HE2  HIS  20           HE2      HIS  20  27.513 -21.098  -8.376
  144    H    ASP  21           H        ASP  21  30.623 -15.597  -7.784
  145    HA   ASP  21           HA       ASP  21  28.359 -16.175  -6.035
  146    HB2  ASP  21           HB2      ASP  21  31.104 -14.945  -5.608
  147    HB3  ASP  21           HB3      ASP  21  29.878 -15.006  -4.350
  148    H    PHE  22           H        PHE  22  29.766 -13.187  -7.504
  149    HA   PHE  22           HA       PHE  22  28.171 -11.292  -6.141
  150    HB2  PHE  22           HB2      PHE  22  29.996 -10.767  -7.767
  151    HB3  PHE  22           HB3      PHE  22  28.958 -11.250  -9.084
  152    HD1  PHE  22           HD1      PHE  22  26.877  -9.963  -9.599
  153    HD2  PHE  22           HD2      PHE  22  29.684  -8.553  -6.663
  154    HE1  PHE  22           HE1      PHE  22  25.874  -7.697  -9.741
  155    HE2  PHE  22           HE2      PHE  22  28.741  -6.267  -6.866
  156    HZ   PHE  22           HZ       PHE  22  26.831  -5.844  -8.405
  157    H    TYR  23           H        TYR  23  27.279 -13.244  -9.018
  158    HA   TYR  23           HA       TYR  23  24.721 -12.162  -9.491
  159    HB2  TYR  23           HB2      TYR  23  25.680 -13.826 -10.982
  160    HB3  TYR  23           HB3      TYR  23  25.668 -15.042  -9.695
  161    HD1  TYR  23           HD1      TYR  23  23.398 -12.918 -11.777
  162    HD2  TYR  23           HD2      TYR  23  23.818 -16.426  -9.319
  163    HE1  TYR  23           HE1      TYR  23  21.040 -13.529 -12.250
  164    HE2  TYR  23           HE2      TYR  23  21.467 -17.076  -9.836
  165    HH   TYR  23           HH       TYR  23  19.351 -15.124 -11.964
  166    H    ARG  24           H        ARG  24  25.521 -14.861  -7.281
  167    HA   ARG  24           HA       ARG  24  22.812 -15.178  -6.308
  168    HB2  ARG  24           HB2      ARG  24  25.433 -16.152  -5.066
  169    HB3  ARG  24           HB3      ARG  24  23.798 -16.710  -4.682
  170    HG2  ARG  24           HG2      ARG  24  23.597 -17.336  -7.177
  171    HG3  ARG  24           HG3      ARG  24  25.346 -17.108  -7.276
  172    HD2  ARG  24           HD2      ARG  24  25.733 -18.814  -5.581
  173    HD3  ARG  24           HD3      ARG  24  23.985 -18.982  -5.304
  174    HE   ARG  24           HE       ARG  24  24.530 -19.449  -8.069
  175   HH11  ARG  24          HH11      ARG  24  25.032 -21.073  -5.003
  176   HH12  ARG  24          HH12      ARG  24  24.932 -22.659  -5.718
  177   HH21  ARG  24          HH21      ARG  24  24.342 -21.510  -8.909
  178   HH22  ARG  24          HH22      ARG  24  24.571 -22.890  -7.878
  179    H    ALA  25           H        ALA  25  25.687 -13.607  -4.907
  180    HA   ALA  25           HA       ALA  25  24.416 -12.793  -2.468
  181    HB1  ALA  25           HB1      ALA  25  26.751 -11.508  -3.957
  182    HB2  ALA  25           HB2      ALA  25  26.377 -11.351  -2.224
  183    HB3  ALA  25           HB3      ALA  25  26.892 -12.918  -2.875
  184    H    PHE  26           H        PHE  26  24.746 -11.048  -5.621
  185    HA   PHE  26           HA       PHE  26  23.455  -8.664  -4.728
  186    HB2  PHE  26           HB2      PHE  26  24.802  -8.780  -6.760
  187    HB3  PHE  26           HB3      PHE  26  23.713  -9.933  -7.489
  188    HD1  PHE  26           HD1      PHE  26  24.540  -6.463  -7.188
  189    HD2  PHE  26           HD2      PHE  26  21.224  -9.127  -7.910
  190    HE1  PHE  26           HE1      PHE  26  23.266  -4.612  -8.262
  191    HE2  PHE  26           HE2      PHE  26  19.943  -7.269  -8.897
  192    HZ   PHE  26           HZ       PHE  26  20.952  -5.020  -9.102
  193    H    SER  27           H        SER  27  22.102 -11.575  -6.404
  194    HA   SER  27           HA       SER  27  19.440 -10.546  -6.452
  195    HB2  SER  27           HB2      SER  27  18.724 -12.698  -7.164
  196    HB3  SER  27           HB3      SER  27  20.262 -12.320  -7.960
  197    HG   SER  27           HG       SER  27  20.165 -14.488  -7.127
  198    H    ASP  28           H        ASP  28  21.129 -12.434  -3.961
  199    HA   ASP  28           HA       ASP  28  18.913 -13.080  -2.312
  200    HB2  ASP  28           HB2      ASP  28  21.877 -12.658  -1.866
  201    HB3  ASP  28           HB3      ASP  28  20.825 -12.854  -0.482
  202    H    LYS  29           H        LYS  29  20.706 -10.004  -2.554
  203    HA   LYS  29           HA       LYS  29  18.756  -8.835  -0.602
  204    HB2  LYS  29           HB2      LYS  29  20.662  -6.957  -0.539
  205    HB3  LYS  29           HB3      LYS  29  20.477  -8.245   0.602
  206    HG2  LYS  29           HG2      LYS  29  22.299  -8.530  -1.808
  207    HG3  LYS  29           HG3      LYS  29  22.817  -7.659  -0.376
  208    HD2  LYS  29           HD2      LYS  29  22.021 -10.595  -0.396
  209    HD3  LYS  29           HD3      LYS  29  23.659  -9.951  -0.377
  210    HE2  LYS  29           HE2      LYS  29  23.196  -8.814   1.800
  211    HE3  LYS  29           HE3      LYS  29  21.570  -9.507   1.812
  212    HZ1  LYS  29           HZ1      LYS  29  24.093 -11.102   1.864
  213    HZ2  LYS  29           HZ2      LYS  29  23.106 -10.845   3.136
  214    HZ3  LYS  29           HZ3      LYS  29  22.580 -11.737   1.879
  215    H    TRP  30           H        TRP  30  18.997  -9.003  -3.790
  216    HA   TRP  30           HA       TRP  30  18.594  -6.300  -4.598
  217    HB2  TRP  30           HB2      TRP  30  19.250  -8.002  -6.185
  218    HB3  TRP  30           HB3      TRP  30  17.748  -8.895  -5.912
  219    HD1  TRP  30           HD1      TRP  30  15.995  -8.466  -7.701
  220    HE1  TRP  30           HE1      TRP  30  15.341  -6.551  -9.277
  221    HE3  TRP  30           HE3      TRP  30  19.517  -5.031  -6.291
  222    HZ2  TRP  30           HZ2      TRP  30  16.196  -3.837  -9.803
  223    HZ3  TRP  30           HZ3      TRP  30  19.517  -2.766  -7.271
  224    HH2  TRP  30           HH2      TRP  30  17.899  -2.156  -9.045
  225    H    GLU  31           H        GLU  31  16.937  -4.929  -4.465
  226    HA   GLU  31           HA       GLU  31  14.235  -5.729  -4.944
  227    HB2  GLU  31           HB2      GLU  31  13.373  -4.560  -2.978
  228    HB3  GLU  31           HB3      GLU  31  14.220  -6.047  -2.555
  229    HG2  GLU  31           HG2      GLU  31  16.207  -4.644  -1.872
  230    HG3  GLU  31           HG3      GLU  31  15.244  -3.199  -2.190
  231    H    SER  32           H        SER  32  13.061  -3.954  -5.808
  232    HA   SER  32           HA       SER  32  14.100  -1.247  -5.593
  233    HB2  SER  32           HB2      SER  32  15.421  -2.361  -7.479
  234    HB3  SER  32           HB3      SER  32  13.910  -2.230  -8.408
  235    HG   SER  32           HG       SER  32  15.490  -0.181  -7.185
  236    H    ASP  33           H        ASP  33  12.711   0.320  -6.841
  237    HA   ASP  33           HA       ASP  33   9.870  -0.349  -6.393
  238    HB2  ASP  33           HB2      ASP  33  10.822   1.750  -5.557
  239    HB3  ASP  33           HB3      ASP  33  11.197   2.252  -7.210
  240    H    TYR  34           H        TYR  34  11.950   0.186  -9.188
  241    HA   TYR  34           HA       TYR  34   9.752   0.405 -11.107
  242    HB2  TYR  34           HB2      TYR  34  11.366   0.800 -12.725
  243    HB3  TYR  34           HB3      TYR  34  12.040   1.547 -11.295
  244    HD1  TYR  34           HD1      TYR  34  12.754  -0.617 -14.039
  245    HD2  TYR  34           HD2      TYR  34  13.671   0.018  -9.876
  246    HE1  TYR  34           HE1      TYR  34  14.684  -2.124 -14.233
  247    HE2  TYR  34           HE2      TYR  34  15.582  -1.529 -10.037
  248    HH   TYR  34           HH       TYR  34  16.471  -3.110 -13.162
  249    H    THR  35           H        THR  35  10.474  -1.135 -13.233
  250    HA   THR  35           HA       THR  35   9.154  -3.580 -12.591
  251    HB   THR  35           HB       THR  35  10.504  -3.133 -15.237
  252    HG1  THR  35           HG1      THR  35   8.850  -1.687 -15.802
  253   HG21  THR  35          HG21      THR  35   7.675  -3.991 -14.435
  254   HG22  THR  35          HG22      THR  35   8.297  -3.901 -16.098
  255   HG23  THR  35          HG23      THR  35   8.970  -5.082 -14.975
  256    H    GLY  36           H        GLY  36  12.473  -2.988 -12.212
  257    HA2  GLY  36           HA2      GLY  36  14.171  -4.420 -11.645
  258    HA3  GLY  36           HA3      GLY  36  12.907  -5.637 -11.377
  259    H    ASN  37           H        ASN  37  13.466  -4.341 -14.582
  260    HA   ASN  37           HA       ASN  37  14.170  -7.042 -15.505
  261    HB2  ASN  37           HB2      ASN  37  13.705  -4.510 -17.102
  262    HB3  ASN  37           HB3      ASN  37  13.887  -6.144 -17.748
  263   HD21  ASN  37          HD21      ASN  37  10.603  -7.164 -16.513
  264   HD22  ASN  37          HD22      ASN  37  12.244  -7.786 -16.436
  265    H    LEU  38           H        LEU  38  16.172  -6.898 -14.225
  266    HA   LEU  38           HA       LEU  38  18.418  -5.807 -15.859
  267    HB2  LEU  38           HB2      LEU  38  19.626  -5.153 -14.043
  268    HB3  LEU  38           HB3      LEU  38  18.006  -4.584 -13.685
  269    HG   LEU  38           HG       LEU  38  19.413  -7.004 -12.448
  270   HD11  LEU  38          HD11      LEU  38  18.636  -4.272 -11.388
  271   HD12  LEU  38          HD12      LEU  38  19.157  -5.611 -10.362
  272   HD13  LEU  38          HD13      LEU  38  20.277  -4.958 -11.554
  273   HD21  LEU  38          HD21      LEU  38  16.977  -7.456 -12.493
  274   HD22  LEU  38          HD22      LEU  38  17.547  -7.119 -10.865
  275   HD23  LEU  38          HD23      LEU  38  16.677  -5.854 -11.759
  276    H    THR  39           H        THR  39  20.387  -6.874 -15.966
  277    HA   THR  39           HA       THR  39  20.567  -9.606 -14.812
  278    HB   THR  39           HB       THR  39  19.697  -9.790 -17.143
  279    HG1  THR  39           HG1      THR  39  21.483 -11.353 -17.591
  280   HG21  THR  39          HG21      THR  39  22.507  -8.952 -17.955
  281   HG22  THR  39          HG22      THR  39  21.223  -9.577 -19.009
  282   HG23  THR  39          HG23      THR  39  21.024  -8.002 -18.228
  283    H    ILE  40           H        ILE  40  22.795 -10.496 -14.993
  284    HA   ILE  40           HA       ILE  40  24.779  -8.334 -14.324
  285    HB   ILE  40           HB       ILE  40  24.281 -10.997 -12.963
  286   HG12  ILE  40          HG12      ILE  40  24.090  -8.201 -11.744
  287   HG13  ILE  40          HG13      ILE  40  22.694  -9.026 -12.425
  288   HG21  ILE  40          HG21      ILE  40  26.347  -8.907 -12.123
  289   HG22  ILE  40          HG22      ILE  40  26.110 -10.562 -11.496
  290   HG23  ILE  40          HG23      ILE  40  26.760 -10.328 -13.093
  291   HD11  ILE  40          HD11      ILE  40  24.357 -10.052 -10.108
  292   HD12  ILE  40          HD12      ILE  40  22.717  -9.381 -10.056
  293   HD13  ILE  40          HD13      ILE  40  22.997 -10.917 -10.881
  294    H    ASN  41           H        ASN  41  26.587  -8.425 -15.437
  295    HA   ASN  41           HA       ASN  41  27.327 -10.898 -16.936
  296    HB2  ASN  41           HB2      ASN  41  27.824  -8.037 -17.835
  297    HB3  ASN  41           HB3      ASN  41  27.938  -9.508 -18.786
  298   HD21  ASN  41          HD21      ASN  41  24.321  -7.595 -18.313
  299   HD22  ASN  41          HD22      ASN  41  25.697  -7.191 -17.290
  300    H    GLU  42           H        GLU  42  29.588 -11.475 -16.783
  301    HA   GLU  42           HA       GLU  42  31.344  -9.379 -15.651
  302    HB2  GLU  42           HB2      GLU  42  32.385 -10.779 -14.072
  303    HB3  GLU  42           HB3      GLU  42  30.669 -11.053 -13.892
  304    HG2  GLU  42           HG2      GLU  42  31.405 -13.207 -13.830
  305    HG3  GLU  42           HG3      GLU  42  31.127 -13.024 -15.570
  306    H    ARG  43           H        ARG  43  33.547  -9.453 -16.132
  307    HA   ARG  43           HA       ARG  43  34.308 -11.221 -18.413
  308    HB2  ARG  43           HB2      ARG  43  34.059  -8.863 -19.160
  309    HB3  ARG  43           HB3      ARG  43  35.314  -8.391 -18.016
  310    HG2  ARG  43           HG2      ARG  43  36.939  -9.890 -19.140
  311    HG3  ARG  43           HG3      ARG  43  35.678 -10.396 -20.285
  312    HD2  ARG  43           HD2      ARG  43  35.467  -8.070 -21.087
  313    HD3  ARG  43           HD3      ARG  43  36.712  -7.550 -19.928
  314    HE   ARG  43           HE       ARG  43  37.833  -9.641 -21.461
  315   HH11  ARG  43          HH11      ARG  43  36.748  -6.365 -22.080
  316   HH12  ARG  43          HH12      ARG  43  37.844  -6.156 -23.418
  317   HH21  ARG  43          HH21      ARG  43  39.201  -9.313 -23.180
  318   HH22  ARG  43          HH22      ARG  43  39.198  -7.789 -24.019
  319    HA   PRO  44           HA       PRO  44  37.131 -12.391 -15.154
  320    HB2  PRO  44           HB2      PRO  44  37.981 -14.765 -16.169
  321    HB3  PRO  44           HB3      PRO  44  36.328 -14.533 -15.538
  322    HG2  PRO  44           HG2      PRO  44  37.269 -14.430 -18.419
  323    HG3  PRO  44           HG3      PRO  44  35.854 -15.310 -17.747
  324    HD2  PRO  44           HD2      PRO  44  35.637 -12.850 -18.917
  325    HD3  PRO  44           HD3      PRO  44  34.590 -13.356 -17.560
  326    H    SER  45           H        SER  45  39.080 -11.525 -14.857
  327    HA   SER  45           HA       SER  45  41.018 -11.244 -17.115
  328    HB2  SER  45           HB2      SER  45  39.909  -9.014 -15.360
  329    HB3  SER  45           HB3      SER  45  41.290  -8.854 -16.465
  330    HG   SER  45           HG       SER  45  39.370  -8.162 -17.483
  331    H    ALA  46           H        ALA  46  42.440 -12.684 -16.196
  332    HA   ALA  46           HA       ALA  46  42.928 -12.996 -13.473
  333    HB1  ALA  46           HB1      ALA  46  44.706 -13.736 -15.842
  334    HB2  ALA  46           HB2      ALA  46  44.775 -14.463 -14.223
  335    HB3  ALA  46           HB3      ALA  46  43.334 -14.689 -15.227
  336    H    ARG  47           H        ARG  47  44.193 -10.462 -15.362
  337    HA   ARG  47           HA       ARG  47  46.510  -9.660 -13.921
  338    HB2  ARG  47           HB2      ARG  47  45.978  -7.409 -14.668
  339    HB3  ARG  47           HB3      ARG  47  45.676  -8.561 -15.966
  340    HG2  ARG  47           HG2      ARG  47  43.217  -8.518 -15.338
  341    HG3  ARG  47           HG3      ARG  47  43.565  -7.220 -14.199
  342    HD2  ARG  47           HD2      ARG  47  44.138  -7.080 -17.186
  343    HD3  ARG  47           HD3      ARG  47  42.660  -6.480 -16.413
  344    HE   ARG  47           HE       ARG  47  44.896  -5.306 -15.089
  345   HH11  ARG  47          HH11      ARG  47  43.273  -5.055 -18.190
  346   HH12  ARG  47          HH12      ARG  47  43.737  -3.390 -18.400
  347   HH21  ARG  47          HH21      ARG  47  45.464  -3.180 -15.431
  348   HH22  ARG  47          HH22      ARG  47  44.949  -2.363 -16.876
  349    H    ALA  48           H        ALA  48  43.137  -9.600 -12.874
  350    HA   ALA  48           HA       ALA  48  43.957  -8.799 -10.157
  351    HB1  ALA  48           HB1      ALA  48  42.223  -7.033 -11.938
  352    HB2  ALA  48           HB2      ALA  48  42.408  -6.820 -10.187
  353    HB3  ALA  48           HB3      ALA  48  43.807  -6.633 -11.251
  354    H    GLY  49           H        GLY  49  41.345 -10.088 -12.251
  355    HA2  GLY  49           HA2      GLY  49  40.046 -11.741 -10.584
  356    HA3  GLY  49           HA3      GLY  49  39.443 -10.205  -9.975
  357    H    SER  50           H        SER  50  37.595  -9.437 -10.896
  358    HA   SER  50           HA       SER  50  37.005 -10.078 -13.732
  359    HB2  SER  50           HB2      SER  50  34.609 -10.461 -13.122
  360    HB3  SER  50           HB3      SER  50  35.716 -11.763 -12.658
  361    HG   SER  50           HG       SER  50  34.361 -11.348 -10.947
  362    H    TRP  51           H        TRP  51  35.818  -8.614 -14.866
  363    HA   TRP  51           HA       TRP  51  35.038  -6.044 -13.555
  364    HB2  TRP  51           HB2      TRP  51  35.365  -6.992 -16.368
  365    HB3  TRP  51           HB3      TRP  51  33.993  -5.946 -16.067
  366    HD1  TRP  51           HD1      TRP  51  37.643  -5.827 -16.663
  367    HE1  TRP  51           HE1      TRP  51  38.510  -3.421 -16.497
  368    HE3  TRP  51           HE3      TRP  51  33.504  -3.637 -14.590
  369    HZ2  TRP  51           HZ2      TRP  51  37.483  -0.832 -15.680
  370    HZ3  TRP  51           HZ3      TRP  51  33.484  -1.189 -14.130
  371    HH2  TRP  51           HH2      TRP  51  35.439   0.214 -14.686
  372    H    ILE  52           H        ILE  52  32.983  -5.777 -12.834
  373    HA   ILE  52           HA       ILE  52  30.856  -7.723 -13.671
  374    HB   ILE  52           HB       ILE  52  30.949  -5.952 -11.196
  375   HG12  ILE  52          HG12      ILE  52  32.590  -7.694 -10.885
  376   HG13  ILE  52          HG13      ILE  52  31.179  -8.007  -9.886
  377   HG21  ILE  52          HG21      ILE  52  28.938  -8.063 -12.119
  378   HG22  ILE  52          HG22      ILE  52  28.993  -7.353 -10.492
  379   HG23  ILE  52          HG23      ILE  52  28.651  -6.322 -11.876
  380   HD11  ILE  52          HD11      ILE  52  31.726  -9.370 -12.547
  381   HD12  ILE  52          HD12      ILE  52  32.126 -10.055 -10.981
  382   HD13  ILE  52          HD13      ILE  52  30.422  -9.778 -11.414
  383    H    THR  53           H        THR  53  29.231  -6.971 -14.823
  384    HA   THR  53           HA       THR  53  28.714  -4.025 -15.016
  385    HB   THR  53           HB       THR  53  28.960  -5.961 -17.356
  386    HG1  THR  53           HG1      THR  53  30.814  -4.775 -17.831
  387   HG21  THR  53          HG21      THR  53  28.577  -2.935 -17.312
  388   HG22  THR  53          HG22      THR  53  28.775  -3.940 -18.755
  389   HG23  THR  53          HG23      THR  53  27.317  -4.107 -17.764
  390    H    ILE  54           H        ILE  54  26.660  -3.663 -14.473
  391    HA   ILE  54           HA       ILE  54  24.635  -5.819 -14.897
  392    HB   ILE  54           HB       ILE  54  24.766  -5.377 -12.651
  393   HG12  ILE  54          HG12      ILE  54  22.448  -5.578 -13.530
  394   HG13  ILE  54          HG13      ILE  54  22.631  -4.797 -11.972
  395   HG21  ILE  54          HG21      ILE  54  24.662  -2.416 -13.256
  396   HG22  ILE  54          HG22      ILE  54  24.407  -3.103 -11.631
  397   HG23  ILE  54          HG23      ILE  54  25.952  -3.344 -12.456
  398   HD11  ILE  54          HD11      ILE  54  21.933  -3.411 -14.592
  399   HD12  ILE  54          HD12      ILE  54  20.945  -3.590 -13.164
  400   HD13  ILE  54          HD13      ILE  54  22.362  -2.556 -13.094
  401    H    THR  55           H        THR  55  23.100  -5.633 -16.292
  402    HA   THR  55           HA       THR  55  22.731  -3.036 -17.708
  403    HB   THR  55           HB       THR  55  22.169  -4.465 -19.723
  404    HG1  THR  55           HG1      THR  55  22.644  -6.576 -19.682
  405   HG21  THR  55          HG21      THR  55  25.002  -4.699 -18.595
  406   HG22  THR  55          HG22      THR  55  24.537  -5.067 -20.267
  407   HG23  THR  55          HG23      THR  55  24.376  -3.420 -19.660
  408    H    VAL  56           H        VAL  56  20.702  -2.350 -18.147
  409    HA   VAL  56           HA       VAL  56  18.393  -3.932 -17.077
  410    HB   VAL  56           HB       VAL  56  18.813  -0.953 -17.379
  411   HG11  VAL  56          HG11      VAL  56  16.144  -2.410 -17.024
  412   HG12  VAL  56          HG12      VAL  56  16.412  -0.683 -16.694
  413   HG13  VAL  56          HG13      VAL  56  16.591  -1.291 -18.339
  414   HG21  VAL  56          HG21      VAL  56  19.422  -2.227 -15.274
  415   HG22  VAL  56          HG22      VAL  56  18.155  -1.006 -15.022
  416   HG23  VAL  56          HG23      VAL  56  17.728  -2.724 -15.134
  417    H    ASN  57           H        ASN  57  17.346  -4.973 -18.475
  418    HA   ASN  57           HA       ASN  57  16.712  -6.000 -20.378
  419    HB2  ASN  57           HB2      ASN  57  16.354  -3.184 -21.474
  420    HB3  ASN  57           HB3      ASN  57  15.745  -4.658 -22.207
  421   HD21  ASN  57          HD21      ASN  57  13.577  -2.943 -19.319
  422   HD22  ASN  57          HD22      ASN  57  15.009  -2.188 -20.005
  423    H    GLN  58           H        GLN  58  18.498  -3.321 -21.875
  424    HA   GLN  58           HA       GLN  58  20.586  -5.138 -22.929
  425    HB2  GLN  58           HB2      GLN  58  20.253  -4.327 -25.232
  426    HB3  GLN  58           HB3      GLN  58  18.858  -5.212 -24.625
  427    HG2  GLN  58           HG2      GLN  58  17.602  -3.153 -24.262
  428    HG3  GLN  58           HG3      GLN  58  19.010  -2.166 -24.649
  429   HE21  GLN  58          HE21      GLN  58  18.672  -2.648 -28.210
  430   HE22  GLN  58          HE22      GLN  58  19.832  -2.255 -26.948
  431    H    ASP  59           H        ASP  59  20.094  -2.490 -21.163
  432    HA   ASP  59           HA       ASP  59  22.266  -0.821 -22.405
  433    HB2  ASP  59           HB2      ASP  59  19.781  -0.063 -20.828
  434    HB3  ASP  59           HB3      ASP  59  21.105   1.047 -21.141
  435    H    VAL  60           H        VAL  60  24.055  -0.380 -21.181
  436    HA   VAL  60           HA       VAL  60  24.243  -1.522 -18.487
  437    HB   VAL  60           HB       VAL  60  26.171  -1.654 -19.937
  438   HG11  VAL  60          HG11      VAL  60  26.402   1.380 -19.773
  439   HG12  VAL  60          HG12      VAL  60  27.573   0.265 -20.497
  440   HG13  VAL  60          HG13      VAL  60  25.975   0.450 -21.227
  441   HG21  VAL  60          HG21      VAL  60  26.494  -1.570 -17.467
  442   HG22  VAL  60          HG22      VAL  60  27.882  -0.952 -18.385
  443   HG23  VAL  60          HG23      VAL  60  26.792   0.184 -17.588
  444    H    ILE  61           H        ILE  61  24.207  -0.584 -16.568
  445    HA   ILE  61           HA       ILE  61  23.864   2.394 -16.417
  446    HB   ILE  61           HB       ILE  61  22.370   1.914 -14.434
  447   HG12  ILE  61          HG12      ILE  61  21.735  -0.719 -15.778
  448   HG13  ILE  61          HG13      ILE  61  22.856  -0.606 -14.411
  449   HG21  ILE  61          HG21      ILE  61  21.259   1.237 -17.179
  450   HG22  ILE  61          HG22      ILE  61  20.377   1.965 -15.812
  451   HG23  ILE  61          HG23      ILE  61  21.654   2.877 -16.614
  452   HD11  ILE  61          HD11      ILE  61  19.975   0.385 -14.336
  453   HD12  ILE  61          HD12      ILE  61  20.552  -1.144 -13.689
  454   HD13  ILE  61          HD13      ILE  61  21.143   0.376 -12.997
  455    H    PHE  62           H        PHE  62  25.308  -0.485 -14.947
  456    HA   PHE  62           HA       PHE  62  27.109   1.303 -13.519
  457    HB2  PHE  62           HB2      PHE  62  25.448   1.180 -11.825
  458    HB3  PHE  62           HB3      PHE  62  25.203  -0.539 -12.036
  459    HD1  PHE  62           HD1      PHE  62  26.484  -2.077 -10.629
  460    HD2  PHE  62           HD2      PHE  62  27.753   2.029 -11.026
  461    HE1  PHE  62           HE1      PHE  62  28.328  -2.482  -8.998
  462    HE2  PHE  62           HE2      PHE  62  29.555   1.622  -9.372
  463    HZ   PHE  62           HZ       PHE  62  29.835  -0.628  -8.359
  464    H    GLN  63           H        GLN  63  29.049   0.382 -12.999
  465    HA   GLN  63           HA       GLN  63  29.507  -2.442 -13.266
  466    HB2  GLN  63           HB2      GLN  63  31.171  -2.345 -15.082
  467    HB3  GLN  63           HB3      GLN  63  29.547  -1.935 -15.621
  468    HG2  GLN  63           HG2      GLN  63  30.152   0.492 -15.564
  469    HG3  GLN  63           HG3      GLN  63  31.807   0.045 -15.140
  470   HE21  GLN  63          HE21      GLN  63  32.388  -1.443 -18.461
  471   HE22  GLN  63          HE22      GLN  63  32.642  -1.881 -16.782
  472    H    THR  64           H        THR  64  31.468  -3.146 -12.410
  473    HA   THR  64           HA       THR  64  33.435  -1.245 -11.337
  474    HB   THR  64           HB       THR  64  31.581  -1.112  -9.721
  475    HG1  THR  64           HG1      THR  64  32.915  -1.351  -7.957
  476   HG21  THR  64          HG21      THR  64  32.184  -4.025  -9.032
  477   HG22  THR  64          HG22      THR  64  30.994  -2.949  -8.267
  478   HG23  THR  64          HG23      THR  64  30.742  -3.493  -9.926
  479    H    PHE  65           H        PHE  65  35.147  -2.420 -10.060
  480    HA   PHE  65           HA       PHE  65  35.725  -5.029 -11.373
  481    HB2  PHE  65           HB2      PHE  65  37.277  -2.830 -11.310
  482    HB3  PHE  65           HB3      PHE  65  37.817  -3.579  -9.818
  483    HD1  PHE  65           HD1      PHE  65  38.136  -3.495 -13.378
  484    HD2  PHE  65           HD2      PHE  65  38.527  -6.119  -9.986
  485    HE1  PHE  65           HE1      PHE  65  39.499  -5.062 -14.742
  486    HE2  PHE  65           HE2      PHE  65  39.804  -7.716 -11.366
  487    HZ   PHE  65           HZ       PHE  65  40.296  -7.186 -13.770
  488    H    LEU  66           H        LEU  66  35.806  -6.879 -10.242
  489    HA   LEU  66           HA       LEU  66  35.698  -6.828  -7.260
  490    HB2  LEU  66           HB2      LEU  66  34.673  -8.765  -9.323
  491    HB3  LEU  66           HB3      LEU  66  35.104  -9.331  -7.719
  492    HG   LEU  66           HG       LEU  66  32.951  -7.292  -8.300
  493   HD11  LEU  66          HD11      LEU  66  32.828 -10.136  -7.168
  494   HD12  LEU  66          HD12      LEU  66  31.489  -9.100  -7.695
  495   HD13  LEU  66          HD13      LEU  66  32.612  -9.774  -8.877
  496   HD21  LEU  66          HD21      LEU  66  33.886  -6.815  -6.073
  497   HD22  LEU  66          HD22      LEU  66  32.358  -7.690  -5.879
  498   HD23  LEU  66          HD23      LEU  66  33.903  -8.542  -5.674
  499    H    PHE  67           H        PHE  67  37.121  -7.936  -6.077
  500    HA   PHE  67           HA       PHE  67  39.480  -9.179  -7.447
  501    HB2  PHE  67           HB2      PHE  67  39.500  -7.557  -4.896
  502    HB3  PHE  67           HB3      PHE  67  40.894  -8.196  -5.751
  503    HD1  PHE  67           HD1      PHE  67  38.283  -5.578  -5.670
  504    HD2  PHE  67           HD2      PHE  67  41.728  -7.061  -7.798
  505    HE1  PHE  67           HE1      PHE  67  38.422  -3.444  -6.925
  506    HE2  PHE  67           HE2      PHE  67  41.880  -4.901  -9.033
  507    HZ   PHE  67           HZ       PHE  67  40.224  -3.103  -8.607
  508    HA   PRO  68           HA       PRO  68  38.242 -12.623  -4.905
  509    HB2  PRO  68           HB2      PRO  68  40.127 -14.462  -5.597
  510    HB3  PRO  68           HB3      PRO  68  38.893 -13.858  -6.748
  511    HG2  PRO  68           HG2      PRO  68  41.743 -12.846  -6.400
  512    HG3  PRO  68           HG3      PRO  68  40.934 -13.351  -7.925
  513    HD2  PRO  68           HD2      PRO  68  41.090 -10.770  -7.170
  514    HD3  PRO  68           HD3      PRO  68  39.616 -11.427  -7.958
  515    H    LEU  69           H        LEU  69  41.599 -11.425  -4.558
  516    HA   LEU  69           HA       LEU  69  41.994 -12.838  -2.001
  517    HB2  LEU  69           HB2      LEU  69  43.673 -11.105  -3.823
  518    HB3  LEU  69           HB3      LEU  69  44.141 -11.239  -2.149
  519    HG   LEU  69           HG       LEU  69  45.383 -12.778  -3.542
  520   HD11  LEU  69          HD11      LEU  69  43.551 -14.332  -1.673
  521   HD12  LEU  69          HD12      LEU  69  45.191 -14.762  -2.189
  522   HD13  LEU  69          HD13      LEU  69  44.939 -13.342  -1.164
  523   HD21  LEU  69          HD21      LEU  69  43.715 -13.311  -5.259
  524   HD22  LEU  69          HD22      LEU  69  44.391 -14.774  -4.530
  525   HD23  LEU  69          HD23      LEU  69  42.765 -14.239  -4.067
  526    H    LYS  70           H        LYS  70  40.721  -9.798  -2.939
  527    HA   LYS  70           HA       LYS  70  41.207  -8.529  -0.294
  528    HB2  LYS  70           HB2      LYS  70  41.576  -7.346  -2.519
  529    HB3  LYS  70           HB3      LYS  70  39.821  -7.332  -2.714
  530    HG2  LYS  70           HG2      LYS  70  39.589  -5.973  -0.664
  531    HG3  LYS  70           HG3      LYS  70  41.341  -6.077  -0.391
  532    HD2  LYS  70           HD2      LYS  70  41.733  -4.872  -2.546
  533    HD3  LYS  70           HD3      LYS  70  39.993  -4.825  -2.827
  534    HE2  LYS  70           HE2      LYS  70  40.581  -2.678  -2.022
  535    HE3  LYS  70           HE3      LYS  70  39.710  -3.482  -0.717
  536    HZ1  LYS  70           HZ1      LYS  70  42.683  -3.230  -0.893
  537    HZ2  LYS  70           HZ2      LYS  70  41.725  -2.333   0.071
  538    HZ3  LYS  70           HZ3      LYS  70  41.879  -3.929   0.353
  539    H    ARG  71           H        ARG  71  39.513  -7.717   1.006
  540    HA   ARG  71           HA       ARG  71  37.088  -9.444   0.978
  541    HB2  ARG  71           HB2      ARG  71  38.436  -7.886   3.211
  542    HB3  ARG  71           HB3      ARG  71  36.950  -8.833   3.395
  543    HG2  ARG  71           HG2      ARG  71  38.121 -10.869   2.616
  544    HG3  ARG  71           HG3      ARG  71  39.638  -9.969   2.509
  545    HD2  ARG  71           HD2      ARG  71  37.999 -10.319   5.055
  546    HD3  ARG  71           HD3      ARG  71  39.361 -11.336   4.614
  547    HE   ARG  71           HE       ARG  71  39.436  -8.582   5.631
  548   HH11  ARG  71          HH11      ARG  71  41.382 -11.054   4.069
  549   HH12  ARG  71          HH12      ARG  71  42.879 -10.317   4.571
  550   HH21  ARG  71          HH21      ARG  71  41.379  -7.696   6.223
  551   HH22  ARG  71          HH22      ARG  71  42.869  -8.463   5.761
  552    H    ASP  72           H        ASP  72  37.314  -6.896  -0.661
  553    HA   ASP  72           HA       ASP  72  35.204  -5.197   0.441
  554    HB2  ASP  72           HB2      ASP  72  35.362  -3.913  -1.521
  555    HB3  ASP  72           HB3      ASP  72  36.990  -4.323  -1.043
  556    H    PHE  73           H        PHE  73  35.157  -8.156  -1.384
  557    HA   PHE  73           HA       PHE  73  33.225  -7.868  -3.252
  558    HB2  PHE  73           HB2      PHE  73  34.386  -9.911  -3.039
  559    HB3  PHE  73           HB3      PHE  73  33.808 -10.212  -1.411
  560    HD1  PHE  73           HD1      PHE  73  33.123 -10.648  -4.950
  561    HD2  PHE  73           HD2      PHE  73  31.400 -10.881  -1.000
  562    HE1  PHE  73           HE1      PHE  73  31.209 -11.940  -5.861
  563    HE2  PHE  73           HE2      PHE  73  29.481 -12.149  -1.912
  564    HZ   PHE  73           HZ       PHE  73  29.363 -12.653  -4.325
  565    H    GLU  74           H        GLU  74  32.354  -8.601   0.172
  566    HA   GLU  74           HA       GLU  74  29.533  -8.627  -0.257
  567    HB2  GLU  74           HB2      GLU  74  30.957  -9.383   1.772
  568    HB3  GLU  74           HB3      GLU  74  30.867  -7.699   2.302
  569    HG2  GLU  74           HG2      GLU  74  28.366  -7.850   2.241
  570    HG3  GLU  74           HG3      GLU  74  28.501  -9.532   1.712
  571    H    LYS  75           H        LYS  75  31.727  -5.980   0.525
  572    HA   LYS  75           HA       LYS  75  29.691  -3.943   0.948
  573    HB2  LYS  75           HB2      LYS  75  32.697  -3.607   0.355
  574    HB3  LYS  75           HB3      LYS  75  31.569  -2.369   0.908
  575    HG2  LYS  75           HG2      LYS  75  32.293  -2.925   2.978
  576    HG3  LYS  75           HG3      LYS  75  31.097  -4.207   2.846
  577    HD2  LYS  75           HD2      LYS  75  33.151  -5.574   1.785
  578    HD3  LYS  75           HD3      LYS  75  34.112  -4.319   2.588
  579    HE2  LYS  75           HE2      LYS  75  32.784  -4.895   4.726
  580    HE3  LYS  75           HE3      LYS  75  32.121  -6.274   3.834
  581    HZ1  LYS  75           HZ1      LYS  75  34.993  -5.799   4.487
  582    HZ2  LYS  75           HZ2      LYS  75  34.055  -7.003   5.063
  583    HZ3  LYS  75           HZ3      LYS  75  34.511  -6.994   3.480
  584    H    THR  76           H        THR  76  31.816  -4.796  -1.776
  585    HA   THR  76           HA       THR  76  30.783  -2.945  -3.681
  586    HB   THR  76           HB       THR  76  32.180  -5.629  -3.973
  587    HG1  THR  76           HG1      THR  76  33.917  -4.410  -3.944
  588   HG21  THR  76          HG21      THR  76  31.476  -3.557  -6.098
  589   HG22  THR  76          HG22      THR  76  32.755  -4.789  -6.293
  590   HG23  THR  76          HG23      THR  76  31.064  -5.284  -6.103
  591    H    VAL  77           H        VAL  77  29.626  -6.261  -2.864
  592    HA   VAL  77           HA       VAL  77  27.511  -6.338  -4.826
  593    HB   VAL  77           HB       VAL  77  27.859  -7.719  -2.146
  594   HG11  VAL  77          HG11      VAL  77  25.585  -8.059  -4.143
  595   HG12  VAL  77          HG12      VAL  77  25.944  -9.171  -2.803
  596   HG13  VAL  77          HG13      VAL  77  25.428  -7.534  -2.448
  597   HG21  VAL  77          HG21      VAL  77  29.266  -8.408  -4.171
  598   HG22  VAL  77          HG22      VAL  77  28.275  -9.680  -3.456
  599   HG23  VAL  77          HG23      VAL  77  27.745  -8.885  -4.954
  600    H    VAL  78           H        VAL  78  27.406  -5.309  -1.349
  601    HA   VAL  78           HA       VAL  78  24.655  -4.531  -1.436
  602    HB   VAL  78           HB       VAL  78  26.933  -3.667   0.383
  603   HG11  VAL  78          HG11      VAL  78  23.944  -3.123   0.694
  604   HG12  VAL  78          HG12      VAL  78  25.158  -2.922   1.975
  605   HG13  VAL  78          HG13      VAL  78  25.232  -1.904   0.539
  606   HG21  VAL  78          HG21      VAL  78  26.233  -6.078   0.469
  607   HG22  VAL  78          HG22      VAL  78  25.882  -5.213   1.966
  608   HG23  VAL  78          HG23      VAL  78  24.572  -5.561   0.813
  609    H    ALA  79           H        ALA  79  27.612  -2.677  -2.149
  610    HA   ALA  79           HA       ALA  79  26.286  -0.141  -2.461
  611    HB1  ALA  79           HB1      ALA  79  28.935  -1.207  -3.530
  612    HB2  ALA  79           HB2      ALA  79  28.472   0.514  -3.391
  613    HB3  ALA  79           HB3      ALA  79  28.678  -0.475  -1.932
  614    H    ALA  80           H        ALA  80  26.931  -2.831  -4.767
  615    HA   ALA  80           HA       ALA  80  26.191  -1.372  -7.129
  616    HB1  ALA  80           HB1      ALA  80  25.988  -4.362  -6.529
  617    HB2  ALA  80           HB2      ALA  80  26.023  -3.596  -8.131
  618    HB3  ALA  80           HB3      ALA  80  27.458  -3.531  -7.082
  619    H    LEU  81           H        LEU  81  24.245  -2.852  -4.578
  620    HA   LEU  81           HA       LEU  81  21.758  -3.069  -6.038
  621    HB2  LEU  81           HB2      LEU  81  22.034  -2.429  -3.076
  622    HB3  LEU  81           HB3      LEU  81  20.682  -3.191  -3.883
  623    HG   LEU  81           HG       LEU  81  23.421  -4.442  -3.545
  624   HD11  LEU  81          HD11      LEU  81  20.877  -4.937  -1.983
  625   HD12  LEU  81          HD12      LEU  81  22.432  -5.790  -1.797
  626   HD13  LEU  81          HD13      LEU  81  22.310  -4.070  -1.391
  627   HD21  LEU  81          HD21      LEU  81  22.152  -5.409  -5.442
  628   HD22  LEU  81          HD22      LEU  81  22.344  -6.561  -4.112
  629   HD23  LEU  81          HD23      LEU  81  20.793  -5.740  -4.337
  630    H    ILE  82           H        ILE  82  23.098  -0.525  -3.934
  631    HA   ILE  82           HA       ILE  82  21.025   1.424  -4.366
  632    HB   ILE  82           HB       ILE  82  23.917   1.799  -3.474
  633   HG12  ILE  82          HG12      ILE  82  21.381   1.514  -1.790
  634   HG13  ILE  82          HG13      ILE  82  22.562   0.231  -2.031
  635   HG21  ILE  82          HG21      ILE  82  21.503   3.655  -3.192
  636   HG22  ILE  82          HG22      ILE  82  23.117   3.946  -2.508
  637   HG23  ILE  82          HG23      ILE  82  22.907   3.930  -4.246
  638   HD11  ILE  82          HD11      ILE  82  23.051   2.837  -0.561
  639   HD12  ILE  82          HD12      ILE  82  22.999   1.198   0.094
  640   HD13  ILE  82          HD13      ILE  82  24.325   1.666  -0.987
  641    H    GLN  83           H        GLN  83  24.269   0.997  -5.885
  642    HA   GLN  83           HA       GLN  83  23.990   3.305  -7.563
  643    HB2  GLN  83           HB2      GLN  83  25.807   0.868  -7.723
  644    HB3  GLN  83           HB3      GLN  83  25.961   2.275  -8.787
  645    HG2  GLN  83           HG2      GLN  83  26.340   3.766  -6.943
  646    HG3  GLN  83           HG3      GLN  83  25.997   2.532  -5.743
  647   HE21  GLN  83          HE21      GLN  83  29.163   0.856  -6.141
  648   HE22  GLN  83          HE22      GLN  83  27.447   0.540  -5.816
  649    H    THR  84           H        THR  84  22.837   0.020  -8.019
  650    HA   THR  84           HA       THR  84  22.173   0.228 -10.823
  651    HB   THR  84           HB       THR  84  20.919  -1.419  -8.600
  652    HG1  THR  84           HG1      THR  84  23.012  -2.024  -8.976
  653   HG21  THR  84          HG21      THR  84  20.718  -1.785 -11.601
  654   HG22  THR  84          HG22      THR  84  20.091  -2.863 -10.345
  655   HG23  THR  84          HG23      THR  84  19.378  -1.258 -10.563
  656    H    GLU  85           H        GLU  85  20.258   1.052  -7.811
  657    HA   GLU  85           HA       GLU  85  18.042   1.965  -9.509
  658    HB2  GLU  85           HB2      GLU  85  16.966   2.722  -7.519
  659    HB3  GLU  85           HB3      GLU  85  17.523   1.069  -7.297
  660    HG2  GLU  85           HG2      GLU  85  19.230   1.721  -5.793
  661    HG3  GLU  85           HG3      GLU  85  19.151   3.419  -6.269
  662    H    GLU  86           H        GLU  86  20.835   3.569  -7.933
  663    HA   GLU  86           HA       GLU  86  19.930   6.199  -8.278
  664    HB2  GLU  86           HB2      GLU  86  22.708   5.018  -8.181
  665    HB3  GLU  86           HB3      GLU  86  22.444   6.760  -8.278
  666    HG2  GLU  86           HG2      GLU  86  21.032   5.115  -6.166
  667    HG3  GLU  86           HG3      GLU  86  22.696   5.651  -5.935
  668    H    ALA  87           H        ALA  87  21.324   4.113 -10.756
  669    HA   ALA  87           HA       ALA  87  21.596   6.128 -12.805
  670    HB1  ALA  87           HB1      ALA  87  20.916   3.149 -13.001
  671    HB2  ALA  87           HB2      ALA  87  21.497   4.184 -14.318
  672    HB3  ALA  87           HB3      ALA  87  22.559   3.840 -12.934
  673    H    LEU  88           H        LEU  88  18.845   4.126 -11.691
  674    HA   LEU  88           HA       LEU  88  17.091   5.028 -13.874
  675    HB2  LEU  88           HB2      LEU  88  16.495   3.254 -11.494
  676    HB3  LEU  88           HB3      LEU  88  15.522   3.413 -12.954
  677    HG   LEU  88           HG       LEU  88  18.269   2.116 -12.674
  678   HD11  LEU  88          HD11      LEU  88  15.563   0.993 -13.457
  679   HD12  LEU  88          HD12      LEU  88  17.083   0.086 -13.246
  680   HD13  LEU  88          HD13      LEU  88  16.314   0.851 -11.848
  681   HD21  LEU  88          HD21      LEU  88  18.256   3.150 -14.840
  682   HD22  LEU  88          HD22      LEU  88  17.939   1.428 -15.061
  683   HD23  LEU  88          HD23      LEU  88  16.588   2.576 -15.163
  684    H    ASN  89           H        ASN  89  17.697   5.824 -10.568
  685    HA   ASN  89           HA       ASN  89  15.323   7.073  -9.788
  686    HB2  ASN  89           HB2      ASN  89  18.217   7.239  -8.987
  687    HB3  ASN  89           HB3      ASN  89  17.120   8.414  -8.319
  688   HD21  ASN  89          HD21      ASN  89  17.289   5.426  -6.046
  689   HD22  ASN  89          HD22      ASN  89  18.440   6.648  -6.626
  690    H    ARG  90           H        ARG  90  17.903   8.356 -11.777
  691    HA   ARG  90           HA       ARG  90  16.506  10.998 -12.043
  692    HB2  ARG  90           HB2      ARG  90  19.188   9.961 -13.043
  693    HB3  ARG  90           HB3      ARG  90  18.594  11.612 -13.257
  694    HG2  ARG  90           HG2      ARG  90  19.335  10.237 -10.639
  695    HG3  ARG  90           HG3      ARG  90  20.219  11.523 -11.444
  696    HD2  ARG  90           HD2      ARG  90  17.471  11.764 -10.156
  697    HD3  ARG  90           HD3      ARG  90  19.002  12.368  -9.511
  698    HE   ARG  90           HE       ARG  90  18.762  13.539 -12.044
  699   HH11  ARG  90          HH11      ARG  90  17.024  13.753  -9.007
  700   HH12  ARG  90          HH12      ARG  90  16.456  15.365  -9.342
  701   HH21  ARG  90          HH21      ARG  90  17.986  15.584 -12.417
  702   HH22  ARG  90          HH22      ARG  90  17.001  16.375 -11.224
  703    H    ARG  91           H        ARG  91  16.455   8.028 -13.635
  704    HA   ARG  91           HA       ARG  91  15.856   9.119 -16.356
  705    HB2  ARG  91           HB2      ARG  91  15.823   6.309 -15.191
  706    HB3  ARG  91           HB3      ARG  91  15.378   6.688 -16.859
  707    HG2  ARG  91           HG2      ARG  91  17.602   7.441 -17.387
  708    HG3  ARG  91           HG3      ARG  91  18.099   7.365 -15.699
  709    HD2  ARG  91           HD2      ARG  91  18.706   5.192 -15.960
  710    HD3  ARG  91           HD3      ARG  91  17.056   4.761 -16.311
  711    HE   ARG  91           HE       ARG  91  19.247   5.395 -18.245
  712   HH11  ARG  91          HH11      ARG  91  15.896   4.310 -17.987
  713   HH12  ARG  91          HH12      ARG  91  15.861   3.821 -19.653
  714   HH21  ARG  91          HH21      ARG  91  19.097   4.744 -20.336
  715   HH22  ARG  91          HH22      ARG  91  17.622   4.053 -20.940
  716    H    GLN  92           H        GLN  92  14.182   7.288 -13.822
  717    HA   GLN  92           HA       GLN  92  11.540   8.336 -14.770
  718    HB2  GLN  92           HB2      GLN  92  10.698   5.970 -14.723
  719    HB3  GLN  92           HB3      GLN  92  11.777   6.378 -16.059
  720    HG2  GLN  92           HG2      GLN  92  13.629   5.167 -15.032
  721    HG3  GLN  92           HG3      GLN  92  12.700   4.877 -13.563
  722   HE21  GLN  92          HE21      GLN  92  10.717   2.254 -15.069
  723   HE22  GLN  92          HE22      GLN  92  10.677   3.463 -13.796
  724    H    ILE  93           H        ILE  93  13.184   6.650 -12.078
  725    HA   ILE  93           HA       ILE  93  10.735   6.222 -10.662
  726    HB   ILE  93           HB       ILE  93  13.457   6.314  -9.328
  727   HG12  ILE  93          HG12      ILE  93  12.191   4.074 -10.972
  728   HG13  ILE  93          HG13      ILE  93  13.706   4.915 -11.313
  729   HG21  ILE  93          HG21      ILE  93  10.953   4.676  -8.749
  730   HG22  ILE  93          HG22      ILE  93  12.460   4.679  -7.801
  731   HG23  ILE  93          HG23      ILE  93  11.461   6.112  -7.836
  732   HD11  ILE  93          HD11      ILE  93  13.243   2.962  -9.041
  733   HD12  ILE  93          HD12      ILE  93  14.223   2.737 -10.490
  734   HD13  ILE  93          HD13      ILE  93  14.726   3.923  -9.278
  735    H    ASN  94           H        ASN  94  12.639   9.074 -10.942
  736    HA   ASN  94           HA       ASN  94  11.883  10.643  -8.731
  737    HB2  ASN  94           HB2      ASN  94  11.881  12.591 -10.360
  738    HB3  ASN  94           HB3      ASN  94  13.357  11.690 -10.070
  739   HD21  ASN  94          HD21      ASN  94  13.716  10.569 -13.326
  740   HD22  ASN  94          HD22      ASN  94  14.272  10.461 -11.658
  741    H    GLN  95           H        GLN  95   9.917   9.841 -11.590
  742    HA   GLN  95           HA       GLN  95   7.680  11.523 -11.080
  743    HB2  GLN  95           HB2      GLN  95   7.756   8.744 -12.322
  744    HB3  GLN  95           HB3      GLN  95   6.434   9.900 -12.488
  745    HG2  GLN  95           HG2      GLN  95   7.833  11.442 -13.747
  746    HG3  GLN  95           HG3      GLN  95   9.273  10.464 -13.472
  747   HE21  GLN  95          HE21      GLN  95   8.275   7.858 -15.772
  748   HE22  GLN  95          HE22      GLN  95   9.026   8.095 -14.185
  749    H    ALA  96           H        ALA  96   8.460   8.280  -9.794
  750    HA   ALA  96           HA       ALA  96   5.906   8.030  -8.383
  751    HB1  ALA  96           HB1      ALA  96   8.418   6.312  -8.313
  752    HB2  ALA  96           HB2      ALA  96   6.841   5.907  -7.606
  753    HB3  ALA  96           HB3      ALA  96   7.000   6.066  -9.364
  754    H    LEU  97           H        LEU  97   9.358   8.452  -7.392
  755    HA   LEU  97           HA       LEU  97   8.751   8.542  -4.610
  756    HB2  LEU  97           HB2      LEU  97  11.055   9.204  -4.288
  757    HB3  LEU  97           HB3      LEU  97  10.875   7.876  -5.430
  758    HG   LEU  97           HG       LEU  97  11.034   9.755  -7.221
  759   HD11  LEU  97          HD11      LEU  97  12.506  11.066  -4.902
  760   HD12  LEU  97          HD12      LEU  97  12.638  11.574  -6.596
  761   HD13  LEU  97          HD13      LEU  97  11.101  11.733  -5.753
  762   HD21  LEU  97          HD21      LEU  97  12.691   7.936  -6.937
  763   HD22  LEU  97          HD22      LEU  97  13.511   9.459  -7.312
  764   HD23  LEU  97          HD23      LEU  97  13.480   8.855  -5.640
  765    H    LEU  98           H        LEU  98   8.599  11.070  -6.921
  766    HA   LEU  98           HA       LEU  98   8.489  13.343  -5.176
  767    HB2  LEU  98           HB2      LEU  98   8.854  13.457  -7.594
  768    HB3  LEU  98           HB3      LEU  98   7.247  12.794  -7.900
  769    HG   LEU  98           HG       LEU  98   6.227  14.857  -6.976
  770   HD11  LEU  98          HD11      LEU  98   9.115  15.843  -6.780
  771   HD12  LEU  98          HD12      LEU  98   7.663  16.854  -6.601
  772   HD13  LEU  98          HD13      LEU  98   8.004  15.590  -5.415
  773   HD21  LEU  98          HD21      LEU  98   6.694  14.652  -9.379
  774   HD22  LEU  98          HD22      LEU  98   6.858  16.328  -8.833
  775   HD23  LEU  98          HD23      LEU  98   8.311  15.349  -9.136
  776    H    SER  99           H        SER  99   6.177  10.779  -5.587
  777    HA   SER  99           HA       SER  99   4.057  10.418  -4.960
  778    HB2  SER  99           HB2      SER  99   4.562  12.491  -2.809
  779    HB3  SER  99           HB3      SER  99   3.337  11.211  -2.793
  780    HG   SER  99           HG       SER  99   5.274  10.675  -1.610
  781    H    THR 100           H        THR 100   4.079  12.044  -7.156
  782    HA   THR 100           HA       THR 100   1.572  13.621  -6.865
  783    HB   THR 100           HB       THR 100   3.995  14.645  -8.394
  784    HG1  THR 100           HG1      THR 100   3.949  16.271  -6.776
  785   HG21  THR 100          HG21      THR 100   1.271  15.906  -7.782
  786   HG22  THR 100          HG22      THR 100   2.635  16.720  -8.585
  787   HG23  THR 100          HG23      THR 100   1.824  15.373  -9.383
  788    H    GLY 101           H        GLY 101   0.794  11.585  -7.575
  789    HA2  GLY 101           HA2      GLY 101  -0.577  11.165  -9.607
  790    HA3  GLY 101           HA3      GLY 101   0.906  11.204 -10.559
  791    H    ASP 102           H        ASP 102   1.784   9.605  -7.843
  792    HA   ASP 102           HA       ASP 102   0.827   6.896  -8.657
  793    HB2  ASP 102           HB2      ASP 102   3.693   7.764  -8.136
  794    HB3  ASP 102           HB3      ASP 102   3.170   6.085  -8.129
  795    H    LEU 103           H        LEU 103   1.268   5.241  -6.993
  796    HA   LEU 103           HA       LEU 103   0.387   6.024  -4.388
  797    HB2  LEU 103           HB2      LEU 103   0.310   3.801  -3.875
  798    HB3  LEU 103           HB3      LEU 103   0.092   3.769  -5.616
  799    HG   LEU 103           HG       LEU 103   2.695   3.151  -4.122
  800   HD11  LEU 103          HD11      LEU 103   0.724   1.309  -5.539
  801   HD12  LEU 103          HD12      LEU 103   2.252   0.825  -4.770
  802   HD13  LEU 103          HD13      LEU 103   0.930   1.458  -3.779
  803   HD21  LEU 103          HD21      LEU 103   3.188   3.982  -6.384
  804   HD22  LEU 103          HD22      LEU 103   3.478   2.246  -6.293
  805   HD23  LEU 103          HD23      LEU 103   2.004   2.850  -7.082
  806    H    ALA 104           H        ALA 104   1.455   5.669  -2.359
  807    HA   ALA 104           HA       ALA 104   4.404   5.690  -2.337
  808    HB1  ALA 104           HB1      ALA 104   2.723   7.955  -1.171
  809    HB2  ALA 104           HB2      ALA 104   4.495   7.814  -1.089
  810    HB3  ALA 104           HB3      ALA 104   3.701   8.044  -2.654
  811    H    HIS 105           H        HIS 105   2.417   3.753  -1.379
  812    HA   HIS 105           HA       HIS 105   2.178   4.031   1.516
  813    HB2  HIS 105           HB2      HIS 105   0.423   3.019   0.152
  814    HB3  HIS 105           HB3      HIS 105   1.520   1.740  -0.370
  815    HD2  HIS 105           HD2      HIS 105   1.471  -0.428   1.032
  816    HE1  HIS 105           HE1      HIS 105  -0.358   1.031   4.600
  817    HE2  HIS 105           HE2      HIS 105   0.510  -1.046   3.410
  818    H    ASP 106           H        ASP 106   4.049   1.798  -0.572
  819    HA   ASP 106           HA       ASP 106   5.927   1.221   1.642
  820    HB2  ASP 106           HB2      ASP 106   5.581  -1.105   1.583
  821    HB3  ASP 106           HB3      ASP 106   4.011  -0.361   1.805
  822    H    GLU 107           H        GLU 107   6.455   2.755  -0.648
  823    HA   GLU 107           HA       GLU 107   7.559   1.410  -2.882
  824    HB2  GLU 107           HB2      GLU 107   8.418   4.039  -1.628
  825    HB3  GLU 107           HB3      GLU 107   8.823   3.490  -3.254
  826    HG2  GLU 107           HG2      GLU 107   6.436   3.551  -3.889
  827    HG3  GLU 107           HG3      GLU 107   6.012   4.088  -2.259
  828    H    PHE 108           H        PHE 108   9.144   2.316   0.175
  829    HA   PHE 108           HA       PHE 108  11.537   0.682  -0.425
  830    HB2  PHE 108           HB2      PHE 108  11.626   3.622   0.356
  831    HB3  PHE 108           HB3      PHE 108  13.006   2.549   0.245
  832    HD1  PHE 108           HD1      PHE 108  10.725   4.697  -1.618
  833    HD2  PHE 108           HD2      PHE 108  13.723   1.628  -2.006
  834    HE1  PHE 108           HE1      PHE 108  11.048   5.318  -4.004
  835    HE2  PHE 108           HE2      PHE 108  14.052   2.253  -4.391
  836    HZ   PHE 108           HZ       PHE 108  12.717   4.098  -5.391
  Start of MODEL   14
    1    H1   ALA   1           H1       ALA   1  -3.988  -2.285  -0.701
    2    H2   ALA   1           H2       ALA   1  -3.888  -3.518   0.370
    3    H3   ALA   1           H3       ALA   1  -5.136  -3.454  -0.685
    4    HA   ALA   1           HA       ALA   1  -3.552  -5.122  -1.379
    5    HB1  ALA   1           HB1      ALA   1  -3.610  -2.702  -3.249
    6    HB2  ALA   1           HB2      ALA   1  -3.247  -4.377  -3.712
    7    HB3  ALA   1           HB3      ALA   1  -4.865  -3.958  -3.131
    8    H    VAL   2           H        VAL   2  -1.426  -5.570  -2.361
    9    HA   VAL   2           HA       VAL   2   0.774  -3.693  -1.649
   10    HB   VAL   2           HB       VAL   2   2.152  -5.553  -0.811
   11   HG11  VAL   2          HG11      VAL   2  -0.378  -5.196   0.835
   12   HG12  VAL   2          HG12      VAL   2   1.231  -5.662   1.420
   13   HG13  VAL   2          HG13      VAL   2   0.972  -4.041   0.755
   14   HG21  VAL   2          HG21      VAL   2   0.966  -7.493  -1.794
   15   HG22  VAL   2          HG22      VAL   2   1.156  -7.651  -0.045
   16   HG23  VAL   2          HG23      VAL   2  -0.419  -7.193  -0.718
   17    H    GLU   3           H        GLU   3   2.737  -4.026  -2.784
   18    HA   GLU   3           HA       GLU   3   2.430  -5.074  -5.503
   19    HB2  GLU   3           HB2      GLU   3   4.618  -4.169  -5.909
   20    HB3  GLU   3           HB3      GLU   3   3.613  -2.977  -5.085
   21    HG2  GLU   3           HG2      GLU   3   4.749  -3.662  -2.904
   22    HG3  GLU   3           HG3      GLU   3   5.850  -4.651  -3.865
   23    H    VAL   4           H        VAL   4   3.910  -6.624  -6.486
   24    HA   VAL   4           HA       VAL   4   5.017  -8.704  -4.656
   25    HB   VAL   4           HB       VAL   4   3.110  -9.241  -6.971
   26   HG11  VAL   4          HG11      VAL   4   4.448 -11.169  -5.017
   27   HG12  VAL   4          HG12      VAL   4   3.173 -11.602  -6.173
   28   HG13  VAL   4          HG13      VAL   4   4.737 -11.078  -6.773
   29   HG21  VAL   4          HG21      VAL   4   1.839  -8.444  -5.036
   30   HG22  VAL   4          HG22      VAL   4   1.592 -10.175  -5.235
   31   HG23  VAL   4          HG23      VAL   4   2.694  -9.583  -3.972
   32    H    GLU   5           H        GLU   5   6.692  -9.957  -5.595
   33    HA   GLU   5           HA       GLU   5   8.288  -8.581  -7.599
   34    HB2  GLU   5           HB2      GLU   5   8.773 -11.210  -6.152
   35    HB3  GLU   5           HB3      GLU   5   9.956 -10.319  -7.113
   36    HG2  GLU   5           HG2      GLU   5   8.675  -9.409  -4.505
   37    HG3  GLU   5           HG3      GLU   5  10.326  -9.957  -4.736
   38    H    VAL   6           H        VAL   6   6.215  -8.978  -9.013
   39    HA   VAL   6           HA       VAL   6   5.975 -11.490 -10.410
   40    HB   VAL   6           HB       VAL   6   4.779  -8.744 -10.812
   41   HG11  VAL   6          HG11      VAL   6   4.261 -11.238 -12.504
   42   HG12  VAL   6          HG12      VAL   6   3.253  -9.774 -12.495
   43   HG13  VAL   6          HG13      VAL   6   4.910  -9.686 -13.088
   44   HG21  VAL   6          HG21      VAL   6   3.978 -10.122  -8.931
   45   HG22  VAL   6          HG22      VAL   6   2.725  -9.898 -10.155
   46   HG23  VAL   6          HG23      VAL   6   3.596 -11.445 -10.050
   47    HA   PRO   7           HA       PRO   7   8.448  -9.719 -14.016
   48    HB2  PRO   7           HB2      PRO   7   9.594  -7.292 -14.111
   49    HB3  PRO   7           HB3      PRO   7   7.840  -7.479 -14.361
   50    HG2  PRO   7           HG2      PRO   7   9.253  -6.783 -11.765
   51    HG3  PRO   7           HG3      PRO   7   7.897  -5.897 -12.541
   52    HD2  PRO   7           HD2      PRO   7   7.480  -7.731 -10.574
   53    HD3  PRO   7           HD3      PRO   7   6.347  -7.570 -11.950
   54    H    GLY   8           H        GLY   8  10.730  -9.478 -14.591
   55    HA2  GLY   8           HA2      GLY   8  12.990  -8.898 -13.354
   56    HA3  GLY   8           HA3      GLY   8  12.611 -10.351 -12.437
   57    H    LEU   9           H        LEU   9  14.845  -9.679 -14.348
   58    HA   LEU   9           HA       LEU   9  14.837 -12.282 -15.687
   59    HB2  LEU   9           HB2      LEU   9  15.485 -11.443 -17.899
   60    HB3  LEU   9           HB3      LEU   9  13.853 -11.078 -17.403
   61    HG   LEU   9           HG       LEU   9  14.564  -8.717 -16.897
   62   HD11  LEU   9          HD11      LEU   9  17.070  -9.527 -18.427
   63   HD12  LEU   9          HD12      LEU   9  16.575  -7.854 -18.084
   64   HD13  LEU   9          HD13      LEU   9  16.995  -8.941 -16.757
   65   HD21  LEU   9          HD21      LEU   9  13.368  -9.348 -18.947
   66   HD22  LEU   9          HD22      LEU   9  14.524  -8.046 -19.265
   67   HD23  LEU   9          HD23      LEU   9  14.912  -9.712 -19.747
   68    H    LEU  10           H        LEU  10  16.236 -11.467 -13.410
   69    HA   LEU  10           HA       LEU  10  19.027 -10.965 -13.963
   70    HB2  LEU  10           HB2      LEU  10  17.567 -12.279 -11.650
   71    HB3  LEU  10           HB3      LEU  10  19.306 -12.254 -11.728
   72    HG   LEU  10           HG       LEU  10  17.847  -9.630 -12.016
   73   HD11  LEU  10          HD11      LEU  10  18.375 -11.048  -9.369
   74   HD12  LEU  10          HD12      LEU  10  17.879  -9.348  -9.551
   75   HD13  LEU  10          HD13      LEU  10  16.783 -10.645 -10.051
   76   HD21  LEU  10          HD21      LEU  10  20.343  -9.754 -12.234
   77   HD22  LEU  10          HD22      LEU  10  19.830  -8.754 -10.863
   78   HD23  LEU  10          HD23      LEU  10  20.425 -10.398 -10.569
   79    H    THR  11           H        THR  11  20.332 -12.192 -15.064
   80    HA   THR  11           HA       THR  11  20.092 -15.153 -14.889
   81    HB   THR  11           HB       THR  11  20.836 -13.476 -17.300
   82    HG1  THR  11           HG1      THR  11  19.027 -14.479 -18.166
   83   HG21  THR  11          HG21      THR  11  21.023 -16.488 -16.868
   84   HG22  THR  11          HG22      THR  11  21.001 -15.719 -18.469
   85   HG23  THR  11          HG23      THR  11  22.323 -15.365 -17.354
   86    H    ASP  12           H        ASP  12  21.867 -16.306 -14.534
   87    HA   ASP  12           HA       ASP  12  24.270 -15.069 -13.514
   88    HB2  ASP  12           HB2      ASP  12  24.928 -17.346 -13.012
   89    HB3  ASP  12           HB3      ASP  12  23.296 -17.030 -12.458
   90    H    HIS  13           H        HIS  13  24.400 -13.941 -15.770
   91    HA   HIS  13           HA       HIS  13  25.939 -15.469 -17.789
   92    HB2  HIS  13           HB2      HIS  13  24.963 -12.606 -17.615
   93    HB3  HIS  13           HB3      HIS  13  26.093 -13.136 -18.858
   94    HD2  HIS  13           HD2      HIS  13  24.873 -15.784 -19.906
   95    HE1  HIS  13           HE1      HIS  13  21.334 -13.523 -20.644
   96    HE2  HIS  13           HE2      HIS  13  22.607 -15.649 -21.239
   97    H    THR  14           H        THR  14  27.095 -15.771 -15.388
   98    HA   THR  14           HA       THR  14  29.534 -14.133 -15.529
   99    HB   THR  14           HB       THR  14  29.645 -14.022 -13.076
  100    HG1  THR  14           HG1      THR  14  27.805 -14.536 -11.891
  101   HG21  THR  14          HG21      THR  14  26.969 -12.908 -13.998
  102   HG22  THR  14          HG22      THR  14  27.989 -12.337 -12.662
  103   HG23  THR  14          HG23      THR  14  28.538 -12.143 -14.336
  104    H    VAL  15           H        VAL  15  31.494 -15.177 -15.296
  105    HA   VAL  15           HA       VAL  15  31.453 -18.100 -14.686
  106    HB   VAL  15           HB       VAL  15  32.820 -18.551 -16.660
  107   HG11  VAL  15          HG11      VAL  15  30.203 -17.196 -17.378
  108   HG12  VAL  15          HG12      VAL  15  31.036 -18.489 -18.268
  109   HG13  VAL  15          HG13      VAL  15  30.362 -18.813 -16.660
  110   HG21  VAL  15          HG21      VAL  15  33.805 -16.318 -17.108
  111   HG22  VAL  15          HG22      VAL  15  32.976 -16.975 -18.523
  112   HG23  VAL  15          HG23      VAL  15  32.203 -15.700 -17.560
  113    H    SER  16           H        SER  16  32.329 -16.098 -12.963
  114    HA   SER  16           HA       SER  16  35.294 -16.599 -12.757
  115    HB2  SER  16           HB2      SER  16  35.231 -14.341 -13.222
  116    HB3  SER  16           HB3      SER  16  33.655 -14.115 -12.455
  117    HG   SER  16           HG       SER  16  36.192 -14.111 -11.292
  118    H    SER  17           H        SER  17  36.191 -16.880 -10.637
  119    HA   SER  17           HA       SER  17  34.640 -18.399  -8.794
  120    HB2  SER  17           HB2      SER  17  36.613 -18.139  -7.306
  121    HB3  SER  17           HB3      SER  17  37.038 -18.635  -8.954
  122    HG   SER  17           HG       SER  17  38.404 -16.940  -8.208
  123    H    ILE  18           H        ILE  18  35.386 -14.937  -8.845
  124    HA   ILE  18           HA       ILE  18  33.648 -14.440  -6.466
  125    HB   ILE  18           HB       ILE  18  34.343 -11.956  -7.182
  126   HG12  ILE  18          HG12      ILE  18  36.824 -13.532  -7.989
  127   HG13  ILE  18          HG13      ILE  18  35.649 -12.872  -9.138
  128   HG21  ILE  18          HG21      ILE  18  36.138 -13.841  -5.608
  129   HG22  ILE  18          HG22      ILE  18  36.065 -12.065  -5.454
  130   HG23  ILE  18          HG23      ILE  18  34.676 -13.040  -4.985
  131   HD11  ILE  18          HD11      ILE  18  37.082 -11.071  -7.219
  132   HD12  ILE  18          HD12      ILE  18  37.714 -11.532  -8.823
  133   HD13  ILE  18          HD13      ILE  18  36.181 -10.691  -8.710
  134    H    GLY  19           H        GLY  19  33.683 -13.773 -10.008
  135    HA2  GLY  19           HA2      GLY  19  31.353 -12.082  -9.919
  136    HA3  GLY  19           HA3      GLY  19  32.014 -12.874 -11.347
  137    H    HIS  20           H        HIS  20  31.628 -15.616 -10.119
  138    HA   HIS  20           HA       HIS  20  28.857 -16.181 -10.755
  139    HB2  HIS  20           HB2      HIS  20  30.671 -17.791 -11.070
  140    HB3  HIS  20           HB3      HIS  20  31.010 -17.784  -9.336
  141    HD2  HIS  20           HD2      HIS  20  30.554 -20.263  -8.837
  142    HE1  HIS  20           HE1      HIS  20  26.554 -20.570 -10.304
  143    HE2  HIS  20           HE2      HIS  20  28.415 -21.802  -9.072
  144    H    ASP  21           H        ASP  21  30.654 -15.610  -7.702
  145    HA   ASP  21           HA       ASP  21  28.312 -16.122  -6.024
  146    HB2  ASP  21           HB2      ASP  21  31.154 -15.246  -5.545
  147    HB3  ASP  21           HB3      ASP  21  29.927 -14.888  -4.331
  148    H    PHE  22           H        PHE  22  29.791 -13.182  -7.473
  149    HA   PHE  22           HA       PHE  22  28.195 -11.252  -6.152
  150    HB2  PHE  22           HB2      PHE  22  30.041 -10.763  -7.782
  151    HB3  PHE  22           HB3      PHE  22  28.992 -11.242  -9.093
  152    HD1  PHE  22           HD1      PHE  22  29.778  -8.554  -6.698
  153    HD2  PHE  22           HD2      PHE  22  26.912  -9.931  -9.595
  154    HE1  PHE  22           HE1      PHE  22  28.839  -6.262  -6.870
  155    HE2  PHE  22           HE2      PHE  22  25.921  -7.659  -9.710
  156    HZ   PHE  22           HZ       PHE  22  26.911  -5.820  -8.379
  157    H    TYR  23           H        TYR  23  27.329 -13.214  -9.031
  158    HA   TYR  23           HA       TYR  23  24.784 -12.155  -9.541
  159    HB2  TYR  23           HB2      TYR  23  25.800 -13.877 -10.960
  160    HB3  TYR  23           HB3      TYR  23  25.674 -15.062  -9.647
  161    HD1  TYR  23           HD1      TYR  23  23.723 -16.373  -9.379
  162    HD2  TYR  23           HD2      TYR  23  23.617 -12.843 -11.834
  163    HE1  TYR  23           HE1      TYR  23  21.349 -16.848  -9.944
  164    HE2  TYR  23           HE2      TYR  23  21.225 -13.277 -12.355
  165    HH   TYR  23           HH       TYR  23  19.466 -16.127 -11.072
  166    H    ARG  24           H        ARG  24  25.534 -14.836  -7.320
  167    HA   ARG  24           HA       ARG  24  22.808 -15.177  -6.404
  168    HB2  ARG  24           HB2      ARG  24  25.446 -16.182  -5.222
  169    HB3  ARG  24           HB3      ARG  24  23.822 -16.748  -4.786
  170    HG2  ARG  24           HG2      ARG  24  23.472 -17.346  -7.216
  171    HG3  ARG  24           HG3      ARG  24  25.161 -17.002  -7.523
  172    HD2  ARG  24           HD2      ARG  24  24.614 -18.942  -5.289
  173    HD3  ARG  24           HD3      ARG  24  24.208 -19.464  -6.914
  174    HE   ARG  24           HE       ARG  24  26.414 -19.437  -7.590
  175   HH11  ARG  24          HH11      ARG  24  26.368 -18.307  -4.247
  176   HH12  ARG  24          HH12      ARG  24  28.114 -18.150  -4.210
  177   HH21  ARG  24          HH21      ARG  24  28.602 -19.370  -7.369
  178   HH22  ARG  24          HH22      ARG  24  29.328 -18.761  -5.897
  179    H    ALA  25           H        ALA  25  25.647 -13.630  -4.943
  180    HA   ALA  25           HA       ALA  25  24.345 -12.823  -2.510
  181    HB1  ALA  25           HB1      ALA  25  26.693 -11.527  -3.971
  182    HB2  ALA  25           HB2      ALA  25  26.295 -11.371  -2.243
  183    HB3  ALA  25           HB3      ALA  25  26.827 -12.935  -2.884
  184    H    PHE  26           H        PHE  26  24.712 -11.068  -5.659
  185    HA   PHE  26           HA       PHE  26  23.390  -8.697  -4.771
  186    HB2  PHE  26           HB2      PHE  26  24.775  -8.788  -6.776
  187    HB3  PHE  26           HB3      PHE  26  23.716  -9.946  -7.533
  188    HD1  PHE  26           HD1      PHE  26  21.203  -9.143  -7.963
  189    HD2  PHE  26           HD2      PHE  26  24.524  -6.482  -7.248
  190    HE1  PHE  26           HE1      PHE  26  19.934  -7.294  -8.976
  191    HE2  PHE  26           HE2      PHE  26  23.260  -4.639  -8.347
  192    HZ   PHE  26           HZ       PHE  26  20.951  -5.052  -9.202
  193    H    SER  27           H        SER  27  22.071 -11.590  -6.505
  194    HA   SER  27           HA       SER  27  19.403 -10.586  -6.572
  195    HB2  SER  27           HB2      SER  27  18.720 -12.754  -7.294
  196    HB3  SER  27           HB3      SER  27  20.256 -12.342  -8.081
  197    HG   SER  27           HG       SER  27  20.192 -14.516  -7.255
  198    H    ASP  28           H        ASP  28  21.073 -12.463  -4.063
  199    HA   ASP  28           HA       ASP  28  18.831 -13.120  -2.448
  200    HB2  ASP  28           HB2      ASP  28  21.788 -12.702  -1.968
  201    HB3  ASP  28           HB3      ASP  28  20.720 -12.883  -0.591
  202    H    LYS  29           H        LYS  29  20.631 -10.040  -2.651
  203    HA   LYS  29           HA       LYS  29  18.656  -8.887  -0.712
  204    HB2  LYS  29           HB2      LYS  29  20.548  -6.994  -0.641
  205    HB3  LYS  29           HB3      LYS  29  20.362  -8.280   0.501
  206    HG2  LYS  29           HG2      LYS  29  22.204  -8.558  -1.896
  207    HG3  LYS  29           HG3      LYS  29  22.706  -7.687  -0.457
  208    HD2  LYS  29           HD2      LYS  29  21.920 -10.627  -0.491
  209    HD3  LYS  29           HD3      LYS  29  23.556  -9.977  -0.455
  210    HE2  LYS  29           HE2      LYS  29  23.066  -8.847   1.720
  211    HE3  LYS  29           HE3      LYS  29  21.444  -9.548   1.714
  212    HZ1  LYS  29           HZ1      LYS  29  23.975 -11.130   1.789
  213    HZ2  LYS  29           HZ2      LYS  29  22.974 -10.881   3.051
  214    HZ3  LYS  29           HZ3      LYS  29  22.465 -11.774   1.788
  215    H    TRP  30           H        TRP  30  18.985  -8.986  -3.930
  216    HA   TRP  30           HA       TRP  30  18.541  -6.305  -4.713
  217    HB2  TRP  30           HB2      TRP  30  19.169  -8.027  -6.296
  218    HB3  TRP  30           HB3      TRP  30  17.648  -8.884  -6.026
  219    HD1  TRP  30           HD1      TRP  30  15.920  -8.424  -7.826
  220    HE1  TRP  30           HE1      TRP  30  15.305  -6.497  -9.400
  221    HE3  TRP  30           HE3      TRP  30  19.496  -5.045  -6.403
  222    HZ2  TRP  30           HZ2      TRP  30  16.214  -3.807  -9.932
  223    HZ3  TRP  30           HZ3      TRP  30  19.541  -2.782  -7.392
  224    HH2  TRP  30           HH2      TRP  30  17.941  -2.151  -9.175
  225    H    GLU  31           H        GLU  31  16.928  -4.943  -4.656
  226    HA   GLU  31           HA       GLU  31  14.147  -5.653  -4.884
  227    HB2  GLU  31           HB2      GLU  31  14.448  -6.014  -2.465
  228    HB3  GLU  31           HB3      GLU  31  15.161  -4.420  -2.270
  229    HG2  GLU  31           HG2      GLU  31  12.396  -4.669  -3.470
  230    HG3  GLU  31           HG3      GLU  31  12.595  -4.967  -1.750
  231    H    SER  32           H        SER  32  13.182  -3.967  -6.019
  232    HA   SER  32           HA       SER  32  14.150  -1.223  -5.694
  233    HB2  SER  32           HB2      SER  32  15.592  -2.322  -7.468
  234    HB3  SER  32           HB3      SER  32  14.142  -2.246  -8.497
  235    HG   SER  32           HG       SER  32  15.581  -0.132  -7.205
  236    H    ASP  33           H        ASP  33  12.853   0.357  -6.864
  237    HA   ASP  33           HA       ASP  33  10.017  -0.226  -6.460
  238    HB2  ASP  33           HB2      ASP  33  11.143   1.856  -5.694
  239    HB3  ASP  33           HB3      ASP  33  11.389   2.325  -7.378
  240    H    TYR  34           H        TYR  34  12.059   0.186  -9.280
  241    HA   TYR  34           HA       TYR  34   9.853   0.518 -11.181
  242    HB2  TYR  34           HB2      TYR  34  11.479   0.885 -12.802
  243    HB3  TYR  34           HB3      TYR  34  12.159   1.612 -11.363
  244    HD1  TYR  34           HD1      TYR  34  12.831  -0.566 -14.113
  245    HD2  TYR  34           HD2      TYR  34  13.781   0.072  -9.953
  246    HE1  TYR  34           HE1      TYR  34  14.744  -2.096 -14.313
  247    HE2  TYR  34           HE2      TYR  34  15.676  -1.490 -10.127
  248    HH   TYR  34           HH       TYR  34  16.527  -3.091 -13.251
  249    H    THR  35           H        THR  35  10.559  -1.022 -13.334
  250    HA   THR  35           HA       THR  35   9.193  -3.451 -12.713
  251    HB   THR  35           HB       THR  35  10.541  -3.005 -15.359
  252    HG1  THR  35           HG1      THR  35   8.912  -1.525 -15.910
  253   HG21  THR  35          HG21      THR  35   7.697  -3.812 -14.556
  254   HG22  THR  35          HG22      THR  35   8.320  -3.729 -16.220
  255   HG23  THR  35          HG23      THR  35   8.968  -4.927 -15.100
  256    H    GLY  36           H        GLY  36  12.503  -2.917 -12.297
  257    HA2  GLY  36           HA2      GLY  36  14.181  -4.371 -11.741
  258    HA3  GLY  36           HA3      GLY  36  12.899  -5.571 -11.482
  259    H    ASN  37           H        ASN  37  13.481  -4.287 -14.684
  260    HA   ASN  37           HA       ASN  37  14.162  -6.988 -15.606
  261    HB2  ASN  37           HB2      ASN  37  13.741  -4.448 -17.202
  262    HB3  ASN  37           HB3      ASN  37  13.891  -6.086 -17.847
  263   HD21  ASN  37          HD21      ASN  37  10.590  -7.043 -16.613
  264   HD22  ASN  37          HD22      ASN  37  12.218  -7.695 -16.544
  265    H    LEU  38           H        LEU  38  16.167  -6.879 -14.329
  266    HA   LEU  38           HA       LEU  38  18.432  -5.811 -15.956
  267    HB2  LEU  38           HB2      LEU  38  19.641  -5.169 -14.132
  268    HB3  LEU  38           HB3      LEU  38  18.024  -4.590 -13.775
  269    HG   LEU  38           HG       LEU  38  19.409  -7.027 -12.547
  270   HD11  LEU  38          HD11      LEU  38  18.659  -4.289 -11.480
  271   HD12  LEU  38          HD12      LEU  38  19.157  -5.638 -10.455
  272   HD13  LEU  38          HD13      LEU  38  20.292  -4.997 -11.640
  273   HD21  LEU  38          HD21      LEU  38  16.965  -7.452 -12.595
  274   HD22  LEU  38          HD22      LEU  38  17.538  -7.131 -10.965
  275   HD23  LEU  38          HD23      LEU  38  16.684  -5.851 -11.853
  276    H    THR  39           H        THR  39  20.399  -6.900 -16.039
  277    HA   THR  39           HA       THR  39  20.550  -9.624 -14.854
  278    HB   THR  39           HB       THR  39  19.713  -9.818 -17.202
  279    HG1  THR  39           HG1      THR  39  21.467 -11.425 -17.581
  280   HG21  THR  39          HG21      THR  39  22.554  -9.036 -17.964
  281   HG22  THR  39          HG22      THR  39  21.280  -9.652 -19.036
  282   HG23  THR  39          HG23      THR  39  21.094  -8.064 -18.278
  283    H    ILE  40           H        ILE  40  22.785 -10.519 -14.996
  284    HA   ILE  40           HA       ILE  40  24.767  -8.351 -14.332
  285    HB   ILE  40           HB       ILE  40  24.269 -11.007 -12.970
  286   HG12  ILE  40          HG12      ILE  40  24.047  -8.225 -11.732
  287   HG13  ILE  40          HG13      ILE  40  22.665  -9.045 -12.445
  288   HG21  ILE  40          HG21      ILE  40  26.326  -8.910 -12.121
  289   HG22  ILE  40          HG22      ILE  40  26.081 -10.553 -11.472
  290   HG23  ILE  40          HG23      ILE  40  26.740 -10.346 -13.070
  291   HD11  ILE  40          HD11      ILE  40  24.290 -10.105 -10.118
  292   HD12  ILE  40          HD12      ILE  40  22.651  -9.429 -10.080
  293   HD13  ILE  40          HD13      ILE  40  22.932 -10.951 -10.920
  294    H    ASN  41           H        ASN  41  26.559  -8.446 -15.473
  295    HA   ASN  41           HA       ASN  41  27.305 -10.943 -16.929
  296    HB2  ASN  41           HB2      ASN  41  27.828  -8.099 -17.863
  297    HB3  ASN  41           HB3      ASN  41  27.944  -9.585 -18.790
  298   HD21  ASN  41          HD21      ASN  41  24.338  -7.638 -18.389
  299   HD22  ASN  41          HD22      ASN  41  25.710  -7.224 -17.366
  300    H    GLU  42           H        GLU  42  29.586 -11.491 -16.798
  301    HA   GLU  42           HA       GLU  42  31.308  -9.369 -15.686
  302    HB2  GLU  42           HB2      GLU  42  32.383 -10.691 -14.112
  303    HB3  GLU  42           HB3      GLU  42  30.676 -11.007 -13.899
  304    HG2  GLU  42           HG2      GLU  42  31.463 -13.144 -13.792
  305    HG3  GLU  42           HG3      GLU  42  31.160 -13.011 -15.532
  306    H    ARG  43           H        ARG  43  33.412  -9.282 -16.296
  307    HA   ARG  43           HA       ARG  43  34.279 -11.038 -18.556
  308    HB2  ARG  43           HB2      ARG  43  34.039  -8.614 -19.149
  309    HB3  ARG  43           HB3      ARG  43  35.156  -8.205 -17.870
  310    HG2  ARG  43           HG2      ARG  43  36.424  -8.155 -19.870
  311    HG3  ARG  43           HG3      ARG  43  36.932  -9.603 -19.009
  312    HD2  ARG  43           HD2      ARG  43  36.732 -10.138 -21.357
  313    HD3  ARG  43           HD3      ARG  43  35.457 -10.977 -20.497
  314    HE   ARG  43           HE       ARG  43  33.838  -9.693 -21.566
  315   HH11  ARG  43          HH11      ARG  43  36.955  -8.273 -22.350
  316   HH12  ARG  43          HH12      ARG  43  36.272  -7.244 -23.577
  317   HH21  ARG  43          HH21      ARG  43  33.044  -8.344 -23.134
  318   HH22  ARG  43          HH22      ARG  43  34.116  -7.290 -24.006
  319    HA   PRO  44           HA       PRO  44  37.091 -12.323 -15.298
  320    HB2  PRO  44           HB2      PRO  44  38.055 -14.580 -16.478
  321    HB3  PRO  44           HB3      PRO  44  36.416 -14.485 -15.766
  322    HG2  PRO  44           HG2      PRO  44  37.239 -14.175 -18.670
  323    HG3  PRO  44           HG3      PRO  44  35.888 -15.157 -18.003
  324    HD2  PRO  44           HD2      PRO  44  35.502 -12.690 -19.038
  325    HD3  PRO  44           HD3      PRO  44  34.548 -13.283 -17.645
  326    H    SER  45           H        SER  45  38.994 -11.379 -14.973
  327    HA   SER  45           HA       SER  45  40.933 -10.971 -17.215
  328    HB2  SER  45           HB2      SER  45  39.921  -8.880 -15.251
  329    HB3  SER  45           HB3      SER  45  41.283  -8.667 -16.370
  330    HG   SER  45           HG       SER  45  39.395  -7.833 -17.313
  331    H    ALA  46           H        ALA  46  42.276 -12.555 -16.452
  332    HA   ALA  46           HA       ALA  46  42.777 -13.151 -13.783
  333    HB1  ALA  46           HB1      ALA  46  44.493 -13.738 -16.239
  334    HB2  ALA  46           HB2      ALA  46  44.540 -14.627 -14.702
  335    HB3  ALA  46           HB3      ALA  46  43.080 -14.680 -15.705
  336    H    ARG  47           H        ARG  47  44.137 -10.497 -15.414
  337    HA   ARG  47           HA       ARG  47  46.501  -9.953 -13.940
  338    HB2  ARG  47           HB2      ARG  47  46.067  -7.623 -14.417
  339    HB3  ARG  47           HB3      ARG  47  45.674  -8.601 -15.826
  340    HG2  ARG  47           HG2      ARG  47  43.227  -8.503 -15.103
  341    HG3  ARG  47           HG3      ARG  47  43.695  -7.341 -13.863
  342    HD2  ARG  47           HD2      ARG  47  44.133  -7.002 -16.857
  343    HD3  ARG  47           HD3      ARG  47  42.797  -6.292 -15.942
  344    HE   ARG  47           HE       ARG  47  44.948  -5.343 -14.558
  345   HH11  ARG  47          HH11      ARG  47  44.182  -5.174 -17.978
  346   HH12  ARG  47          HH12      ARG  47  45.078  -3.699 -18.198
  347   HH21  ARG  47          HH21      ARG  47  46.077  -3.469 -14.915
  348   HH22  ARG  47          HH22      ARG  47  46.112  -2.757 -16.502
  349    H    ALA  48           H        ALA  48  43.145  -9.898 -12.801
  350    HA   ALA  48           HA       ALA  48  44.125  -9.871 -10.065
  351    HB1  ALA  48           HB1      ALA  48  42.401  -7.525 -10.959
  352    HB2  ALA  48           HB2      ALA  48  42.933  -7.873  -9.306
  353    HB3  ALA  48           HB3      ALA  48  44.122  -7.425 -10.536
  354    H    GLY  49           H        GLY  49  41.173  -9.912 -12.202
  355    HA2  GLY  49           HA2      GLY  49  39.767 -11.779 -10.616
  356    HA3  GLY  49           HA3      GLY  49  39.334 -10.176 -10.028
  357    H    SER  50           H        SER  50  37.378  -9.588 -10.820
  358    HA   SER  50           HA       SER  50  36.660 -10.250 -13.644
  359    HB2  SER  50           HB2      SER  50  34.353 -10.728 -12.820
  360    HB3  SER  50           HB3      SER  50  35.585 -11.926 -12.384
  361    HG   SER  50           HG       SER  50  34.368 -11.523 -10.582
  362    H    TRP  51           H        TRP  51  35.734  -8.717 -14.815
  363    HA   TRP  51           HA       TRP  51  34.988  -6.131 -13.533
  364    HB2  TRP  51           HB2      TRP  51  35.982  -6.965 -16.162
  365    HB3  TRP  51           HB3      TRP  51  34.546  -5.960 -16.287
  366    HD1  TRP  51           HD1      TRP  51  38.194  -5.725 -15.790
  367    HE1  TRP  51           HE1      TRP  51  38.909  -3.340 -15.202
  368    HE3  TRP  51           HE3      TRP  51  33.578  -3.753 -14.775
  369    HZ2  TRP  51           HZ2      TRP  51  37.611  -0.826 -14.532
  370    HZ3  TRP  51           HZ3      TRP  51  33.356  -1.349 -14.172
  371    HH2  TRP  51           HH2      TRP  51  35.334   0.120 -14.096
  372    H    ILE  52           H        ILE  52  33.046  -6.093 -12.664
  373    HA   ILE  52           HA       ILE  52  30.839  -7.755 -13.729
  374    HB   ILE  52           HB       ILE  52  30.917  -5.932 -11.291
  375   HG12  ILE  52          HG12      ILE  52  32.564  -7.632 -10.906
  376   HG13  ILE  52          HG13      ILE  52  31.146  -7.972  -9.931
  377   HG21  ILE  52          HG21      ILE  52  28.914  -8.058 -12.174
  378   HG22  ILE  52          HG22      ILE  52  28.963  -7.311 -10.561
  379   HG23  ILE  52          HG23      ILE  52  28.633  -6.312 -11.973
  380   HD11  ILE  52          HD11      ILE  52  31.842  -9.338 -12.559
  381   HD12  ILE  52          HD12      ILE  52  32.147 -10.012 -10.969
  382   HD13  ILE  52          HD13      ILE  52  30.471  -9.770 -11.516
  383    H    THR  53           H        THR  53  29.219  -7.000 -14.874
  384    HA   THR  53           HA       THR  53  28.726  -4.052 -15.104
  385    HB   THR  53           HB       THR  53  28.894  -5.965 -17.468
  386    HG1  THR  53           HG1      THR  53  30.816  -4.897 -17.945
  387   HG21  THR  53          HG21      THR  53  28.809  -2.919 -17.407
  388   HG22  THR  53          HG22      THR  53  28.759  -3.959 -18.837
  389   HG23  THR  53          HG23      THR  53  27.377  -3.931 -17.729
  390    H    ILE  54           H        ILE  54  26.681  -3.701 -14.517
  391    HA   ILE  54           HA       ILE  54  24.652  -5.850 -14.947
  392    HB   ILE  54           HB       ILE  54  24.779  -5.399 -12.705
  393   HG12  ILE  54          HG12      ILE  54  22.464  -5.599 -13.580
  394   HG13  ILE  54          HG13      ILE  54  22.644  -4.799 -12.032
  395   HG21  ILE  54          HG21      ILE  54  24.690  -2.440 -13.314
  396   HG22  ILE  54          HG22      ILE  54  24.412  -3.122 -11.692
  397   HG23  ILE  54          HG23      ILE  54  25.967  -3.374 -12.497
  398   HD11  ILE  54          HD11      ILE  54  21.937  -3.456 -14.670
  399   HD12  ILE  54          HD12      ILE  54  20.965  -3.601 -13.227
  400   HD13  ILE  54          HD13      ILE  54  22.387  -2.570 -13.197
  401    H    THR  55           H        THR  55  23.123  -5.664 -16.353
  402    HA   THR  55           HA       THR  55  22.776  -3.069 -17.777
  403    HB   THR  55           HB       THR  55  22.237  -4.489 -19.799
  404    HG1  THR  55           HG1      THR  55  22.675  -6.603 -19.756
  405   HG21  THR  55          HG21      THR  55  25.052  -4.752 -18.633
  406   HG22  THR  55          HG22      THR  55  24.608  -5.107 -20.313
  407   HG23  THR  55          HG23      THR  55  24.453  -3.462 -19.698
  408    H    VAL  56           H        VAL  56  20.755  -2.374 -18.226
  409    HA   VAL  56           HA       VAL  56  18.432  -3.945 -17.174
  410    HB   VAL  56           HB       VAL  56  18.891  -0.970 -17.439
  411   HG11  VAL  56          HG11      VAL  56  16.191  -2.382 -17.153
  412   HG12  VAL  56          HG12      VAL  56  16.485  -0.665 -16.793
  413   HG13  VAL  56          HG13      VAL  56  16.681  -1.253 -18.444
  414   HG21  VAL  56          HG21      VAL  56  19.438  -2.294 -15.342
  415   HG22  VAL  56          HG22      VAL  56  18.197  -1.044 -15.096
  416   HG23  VAL  56          HG23      VAL  56  17.729  -2.748 -15.240
  417    H    ASN  57           H        ASN  57  17.397  -4.986 -18.585
  418    HA   ASN  57           HA       ASN  57  16.757  -5.987 -20.499
  419    HB2  ASN  57           HB2      ASN  57  16.400  -3.159 -21.560
  420    HB3  ASN  57           HB3      ASN  57  15.787  -4.623 -22.308
  421   HD21  ASN  57          HD21      ASN  57  13.628  -2.936 -19.398
  422   HD22  ASN  57          HD22      ASN  57  15.063  -2.178 -20.075
  423    H    GLN  58           H        GLN  58  18.549  -3.292 -21.958
  424    HA   GLN  58           HA       GLN  58  20.617  -5.103 -23.063
  425    HB2  GLN  58           HB2      GLN  58  20.271  -4.244 -25.346
  426    HB3  GLN  58           HB3      GLN  58  18.873  -5.126 -24.745
  427    HG2  GLN  58           HG2      GLN  58  17.642  -3.061 -24.326
  428    HG3  GLN  58           HG3      GLN  58  19.057  -2.083 -24.713
  429   HE21  GLN  58          HE21      GLN  58  18.674  -2.496 -28.276
  430   HE22  GLN  58          HE22      GLN  58  19.854  -2.142 -27.022
  431    H    ASP  59           H        ASP  59  20.162  -2.484 -21.241
  432    HA   ASP  59           HA       ASP  59  22.344  -0.816 -22.465
  433    HB2  ASP  59           HB2      ASP  59  19.867  -0.055 -20.877
  434    HB3  ASP  59           HB3      ASP  59  21.201   1.047 -21.181
  435    H    VAL  60           H        VAL  60  24.137  -0.408 -21.235
  436    HA   VAL  60           HA       VAL  60  24.308  -1.554 -18.540
  437    HB   VAL  60           HB       VAL  60  26.248  -1.697 -19.962
  438   HG11  VAL  60          HG11      VAL  60  26.470   1.340 -19.854
  439   HG12  VAL  60          HG12      VAL  60  27.652   0.215 -20.543
  440   HG13  VAL  60          HG13      VAL  60  26.062   0.378 -21.292
  441   HG21  VAL  60          HG21      VAL  60  26.559  -1.568 -17.490
  442   HG22  VAL  60          HG22      VAL  60  27.951  -0.969 -18.415
  443   HG23  VAL  60          HG23      VAL  60  26.860   0.182 -17.643
  444    H    ILE  61           H        ILE  61  24.261  -0.610 -16.622
  445    HA   ILE  61           HA       ILE  61  23.937   2.371 -16.480
  446    HB   ILE  61           HB       ILE  61  22.398   1.904 -14.525
  447   HG12  ILE  61          HG12      ILE  61  21.755  -0.715 -15.889
  448   HG13  ILE  61          HG13      ILE  61  22.868  -0.626 -14.514
  449   HG21  ILE  61          HG21      ILE  61  21.339   1.238 -17.295
  450   HG22  ILE  61          HG22      ILE  61  20.428   1.958 -15.944
  451   HG23  ILE  61          HG23      ILE  61  21.721   2.875 -16.713
  452   HD11  ILE  61          HD11      ILE  61  19.997   0.393 -14.447
  453   HD12  ILE  61          HD12      ILE  61  20.559  -1.147 -13.809
  454   HD13  ILE  61          HD13      ILE  61  21.159   0.363 -13.104
  455    H    PHE  62           H        PHE  62  25.334  -0.520 -14.984
  456    HA   PHE  62           HA       PHE  62  27.109   1.261 -13.518
  457    HB2  PHE  62           HB2      PHE  62  25.405   1.158 -11.854
  458    HB3  PHE  62           HB3      PHE  62  25.164  -0.564 -12.068
  459    HD1  PHE  62           HD1      PHE  62  27.738   1.983 -11.030
  460    HD2  PHE  62           HD2      PHE  62  26.375  -2.092 -10.636
  461    HE1  PHE  62           HE1      PHE  62  29.538   1.532  -9.387
  462    HE2  PHE  62           HE2      PHE  62  28.253  -2.564  -9.068
  463    HZ   PHE  62           HZ       PHE  62  29.803  -0.739  -8.419
  464    H    GLN  63           H        GLN  63  29.029   0.296 -12.885
  465    HA   GLN  63           HA       GLN  63  29.490  -2.517 -13.265
  466    HB2  GLN  63           HB2      GLN  63  31.162  -2.327 -15.082
  467    HB3  GLN  63           HB3      GLN  63  29.533  -1.910 -15.593
  468    HG2  GLN  63           HG2      GLN  63  30.104   0.520 -15.437
  469    HG3  GLN  63           HG3      GLN  63  31.764   0.083 -15.028
  470   HE21  GLN  63          HE21      GLN  63  32.417  -1.198 -18.405
  471   HE22  GLN  63          HE22      GLN  63  32.726  -1.654 -16.738
  472    H    THR  64           H        THR  64  31.461  -3.258 -12.423
  473    HA   THR  64           HA       THR  64  33.425  -1.395 -11.294
  474    HB   THR  64           HB       THR  64  31.630  -1.254  -9.643
  475    HG1  THR  64           HG1      THR  64  32.951  -1.614  -7.900
  476   HG21  THR  64          HG21      THR  64  32.083  -4.217  -9.070
  477   HG22  THR  64          HG22      THR  64  30.951  -3.112  -8.256
  478   HG23  THR  64          HG23      THR  64  30.665  -3.576  -9.932
  479    H    PHE  65           H        PHE  65  35.253  -2.499 -10.278
  480    HA   PHE  65           HA       PHE  65  35.693  -5.180 -11.489
  481    HB2  PHE  65           HB2      PHE  65  37.141  -3.204 -12.108
  482    HB3  PHE  65           HB3      PHE  65  37.742  -3.199 -10.459
  483    HD1  PHE  65           HD1      PHE  65  37.082  -6.069 -12.823
  484    HD2  PHE  65           HD2      PHE  65  40.035  -3.740 -10.740
  485    HE1  PHE  65           HE1      PHE  65  38.833  -7.608 -13.627
  486    HE2  PHE  65           HE2      PHE  65  41.811  -5.242 -11.600
  487    HZ   PHE  65           HZ       PHE  65  41.210  -7.175 -13.060
  488    H    LEU  66           H        LEU  66  35.601  -6.900 -10.218
  489    HA   LEU  66           HA       LEU  66  35.666  -6.648  -7.277
  490    HB2  LEU  66           HB2      LEU  66  34.848  -8.776  -9.239
  491    HB3  LEU  66           HB3      LEU  66  35.183  -9.205  -7.571
  492    HG   LEU  66           HG       LEU  66  33.020  -7.280  -8.435
  493   HD11  LEU  66          HD11      LEU  66  32.856 -10.066  -7.181
  494   HD12  LEU  66          HD12      LEU  66  31.551  -9.098  -7.896
  495   HD13  LEU  66          HD13      LEU  66  32.804  -9.803  -8.921
  496   HD21  LEU  66          HD21      LEU  66  33.799  -6.702  -6.161
  497   HD22  LEU  66          HD22      LEU  66  32.255  -7.567  -6.057
  498   HD23  LEU  66          HD23      LEU  66  33.773  -8.411  -5.693
  499    H    PHE  67           H        PHE  67  37.059  -7.737  -5.950
  500    HA   PHE  67           HA       PHE  67  39.490  -8.981  -7.163
  501    HB2  PHE  67           HB2      PHE  67  39.275  -7.146  -4.765
  502    HB3  PHE  67           HB3      PHE  67  40.709  -8.078  -5.161
  503    HD1  PHE  67           HD1      PHE  67  42.234  -7.382  -6.897
  504    HD2  PHE  67           HD2      PHE  67  38.519  -5.276  -6.278
  505    HE1  PHE  67           HE1      PHE  67  43.042  -5.522  -8.334
  506    HE2  PHE  67           HE2      PHE  67  39.323  -3.433  -7.731
  507    HZ   PHE  67           HZ       PHE  67  41.594  -3.545  -8.747
  508    HA   PRO  68           HA       PRO  68  38.157 -12.395  -4.608
  509    HB2  PRO  68           HB2      PRO  68  40.030 -14.247  -5.268
  510    HB3  PRO  68           HB3      PRO  68  38.817 -13.643  -6.438
  511    HG2  PRO  68           HG2      PRO  68  41.672 -12.659  -6.065
  512    HG3  PRO  68           HG3      PRO  68  40.875 -13.161  -7.597
  513    HD2  PRO  68           HD2      PRO  68  41.047 -10.572  -6.841
  514    HD3  PRO  68           HD3      PRO  68  39.589 -11.222  -7.659
  515    H    LEU  69           H        LEU  69  41.537 -11.220  -4.255
  516    HA   LEU  69           HA       LEU  69  41.931 -12.629  -1.706
  517    HB2  LEU  69           HB2      LEU  69  43.586 -10.721  -3.394
  518    HB3  LEU  69           HB3      LEU  69  44.030 -11.031  -1.736
  519    HG   LEU  69           HG       LEU  69  45.350 -12.373  -3.207
  520   HD11  LEU  69          HD11      LEU  69  43.443 -14.212  -1.711
  521   HD12  LEU  69          HD12      LEU  69  45.129 -14.524  -2.157
  522   HD13  LEU  69          HD13      LEU  69  44.755 -13.273  -0.961
  523   HD21  LEU  69          HD21      LEU  69  43.797 -12.677  -5.083
  524   HD22  LEU  69          HD22      LEU  69  44.484 -14.212  -4.536
  525   HD23  LEU  69          HD23      LEU  69  42.816 -13.798  -4.097
  526    H    LYS  70           H        LYS  70  40.768  -9.501  -2.655
  527    HA   LYS  70           HA       LYS  70  41.002  -8.333   0.064
  528    HB2  LYS  70           HB2      LYS  70  39.942  -7.319  -2.596
  529    HB3  LYS  70           HB3      LYS  70  39.663  -6.422  -1.114
  530    HG2  LYS  70           HG2      LYS  70  42.458  -7.178  -2.064
  531    HG3  LYS  70           HG3      LYS  70  41.633  -5.678  -2.506
  532    HD2  LYS  70           HD2      LYS  70  41.394  -5.094  -0.089
  533    HD3  LYS  70           HD3      LYS  70  42.335  -6.541   0.336
  534    HE2  LYS  70           HE2      LYS  70  44.254  -5.695  -0.970
  535    HE3  LYS  70           HE3      LYS  70  43.315  -4.279  -1.463
  536    HZ1  LYS  70           HZ1      LYS  70  44.058  -4.925   1.351
  537    HZ2  LYS  70           HZ2      LYS  70  44.754  -3.765   0.437
  538    HZ3  LYS  70           HZ3      LYS  70  43.195  -3.617   0.888
  539    H    ARG  71           H        ARG  71  39.184  -7.460   1.179
  540    HA   ARG  71           HA       ARG  71  36.872  -9.352   1.203
  541    HB2  ARG  71           HB2      ARG  71  38.005  -7.535   3.366
  542    HB3  ARG  71           HB3      ARG  71  36.590  -8.585   3.552
  543    HG2  ARG  71           HG2      ARG  71  37.989 -10.572   2.999
  544    HG3  ARG  71           HG3      ARG  71  39.420  -9.530   2.919
  545    HD2  ARG  71           HD2      ARG  71  39.096  -8.865   5.269
  546    HD3  ARG  71           HD3      ARG  71  37.653  -9.869   5.385
  547    HE   ARG  71           HE       ARG  71  40.471 -10.738   5.352
  548   HH11  ARG  71          HH11      ARG  71  37.163 -11.900   5.119
  549   HH12  ARG  71          HH12      ARG  71  37.621 -13.536   5.500
  550   HH21  ARG  71          HH21      ARG  71  40.975 -12.838   5.828
  551   HH22  ARG  71          HH22      ARG  71  39.728 -14.049   5.891
  552    H    ASP  72           H        ASP  72  37.220  -6.649  -0.421
  553    HA   ASP  72           HA       ASP  72  34.982  -5.064   0.480
  554    HB2  ASP  72           HB2      ASP  72  35.230  -3.772  -1.457
  555    HB3  ASP  72           HB3      ASP  72  36.842  -4.185  -0.926
  556    H    PHE  73           H        PHE  73  35.061  -8.020  -1.365
  557    HA   PHE  73           HA       PHE  73  33.130  -7.796  -3.253
  558    HB2  PHE  73           HB2      PHE  73  34.341  -9.813  -2.985
  559    HB3  PHE  73           HB3      PHE  73  33.737 -10.092  -1.359
  560    HD1  PHE  73           HD1      PHE  73  31.354 -10.821  -0.975
  561    HD2  PHE  73           HD2      PHE  73  33.104 -10.573  -4.913
  562    HE1  PHE  73           HE1      PHE  73  29.454 -12.105  -1.902
  563    HE2  PHE  73           HE2      PHE  73  31.217 -11.899  -5.835
  564    HZ   PHE  73           HZ       PHE  73  29.357 -12.608  -4.313
  565    H    GLU  74           H        GLU  74  32.273  -8.503   0.184
  566    HA   GLU  74           HA       GLU  74  29.450  -8.601  -0.262
  567    HB2  GLU  74           HB2      GLU  74  30.868  -9.344   1.773
  568    HB3  GLU  74           HB3      GLU  74  30.769  -7.660   2.304
  569    HG2  GLU  74           HG2      GLU  74  28.269  -7.825   2.241
  570    HG3  GLU  74           HG3      GLU  74  28.416  -9.507   1.717
  571    H    LYS  75           H        LYS  75  31.589  -5.923   0.565
  572    HA   LYS  75           HA       LYS  75  29.528  -3.916   0.978
  573    HB2  LYS  75           HB2      LYS  75  32.535  -3.565   0.407
  574    HB3  LYS  75           HB3      LYS  75  31.399  -2.315   0.910
  575    HG2  LYS  75           HG2      LYS  75  32.180  -2.805   2.971
  576    HG3  LYS  75           HG3      LYS  75  30.900  -4.015   2.909
  577    HD2  LYS  75           HD2      LYS  75  32.836  -5.556   1.893
  578    HD3  LYS  75           HD3      LYS  75  33.907  -4.361   2.612
  579    HE2  LYS  75           HE2      LYS  75  31.710  -5.905   4.069
  580    HE3  LYS  75           HE3      LYS  75  33.407  -6.391   4.025
  581    HZ1  LYS  75           HZ1      LYS  75  32.402  -3.856   5.242
  582    HZ2  LYS  75           HZ2      LYS  75  32.932  -5.160   6.062
  583    HZ3  LYS  75           HZ3      LYS  75  33.980  -4.293   5.165
  584    H    THR  76           H        THR  76  31.675  -4.718  -1.739
  585    HA   THR  76           HA       THR  76  30.639  -2.894  -3.664
  586    HB   THR  76           HB       THR  76  32.062  -5.567  -3.925
  587    HG1  THR  76           HG1      THR  76  33.792  -4.331  -3.883
  588   HG21  THR  76          HG21      THR  76  31.338  -3.504  -6.051
  589   HG22  THR  76          HG22      THR  76  32.652  -4.694  -6.244
  590   HG23  THR  76          HG23      THR  76  30.980  -5.244  -6.070
  591    H    VAL  77           H        VAL  77  29.518  -6.232  -2.856
  592    HA   VAL  77           HA       VAL  77  27.431  -6.316  -4.847
  593    HB   VAL  77           HB       VAL  77  27.776  -7.735  -2.187
  594   HG11  VAL  77          HG11      VAL  77  25.515  -8.073  -4.198
  595   HG12  VAL  77          HG12      VAL  77  25.886  -9.204  -2.878
  596   HG13  VAL  77          HG13      VAL  77  25.346  -7.582  -2.494
  597   HG21  VAL  77          HG21      VAL  77  29.205  -8.374  -4.209
  598   HG22  VAL  77          HG22      VAL  77  28.217  -9.672  -3.535
  599   HG23  VAL  77          HG23      VAL  77  27.697  -8.846  -5.021
  600    H    VAL  78           H        VAL  78  27.271  -5.322  -1.360
  601    HA   VAL  78           HA       VAL  78  24.508  -4.577  -1.480
  602    HB   VAL  78           HB       VAL  78  26.746  -3.698   0.379
  603   HG11  VAL  78          HG11      VAL  78  23.742  -3.211   0.652
  604   HG12  VAL  78          HG12      VAL  78  24.936  -2.997   1.950
  605   HG13  VAL  78          HG13      VAL  78  25.010  -1.968   0.522
  606   HG21  VAL  78          HG21      VAL  78  26.097  -6.120   0.442
  607   HG22  VAL  78          HG22      VAL  78  25.699  -5.274   1.937
  608   HG23  VAL  78          HG23      VAL  78  24.419  -5.643   0.760
  609    H    ALA  79           H        ALA  79  27.456  -2.684  -2.123
  610    HA   ALA  79           HA       ALA  79  26.105  -0.163  -2.464
  611    HB1  ALA  79           HB1      ALA  79  28.797  -1.193  -3.461
  612    HB2  ALA  79           HB2      ALA  79  28.306   0.522  -3.343
  613    HB3  ALA  79           HB3      ALA  79  28.486  -0.457  -1.874
  614    H    ALA  80           H        ALA  80  26.831  -2.857  -4.747
  615    HA   ALA  80           HA       ALA  80  26.146  -1.403  -7.130
  616    HB1  ALA  80           HB1      ALA  80  25.938  -4.390  -6.527
  617    HB2  ALA  80           HB2      ALA  80  25.989  -3.629  -8.130
  618    HB3  ALA  80           HB3      ALA  80  27.411  -3.552  -7.066
  619    H    LEU  81           H        LEU  81  24.142  -2.890  -4.628
  620    HA   LEU  81           HA       LEU  81  21.689  -3.098  -6.137
  621    HB2  LEU  81           HB2      LEU  81  21.892  -2.451  -3.171
  622    HB3  LEU  81           HB3      LEU  81  20.566  -3.224  -4.009
  623    HG   LEU  81           HG       LEU  81  23.303  -4.458  -3.603
  624   HD11  LEU  81          HD11      LEU  81  20.726  -4.966  -2.099
  625   HD12  LEU  81          HD12      LEU  81  22.281  -5.812  -1.879
  626   HD13  LEU  81          HD13      LEU  81  22.142  -4.093  -1.474
  627   HD21  LEU  81          HD21      LEU  81  22.068  -5.434  -5.528
  628   HD22  LEU  81          HD22      LEU  81  22.255  -6.583  -4.194
  629   HD23  LEU  81          HD23      LEU  81  20.701  -5.778  -4.437
  630    H    ILE  82           H        ILE  82  22.980  -0.544  -4.008
  631    HA   ILE  82           HA       ILE  82  20.900   1.388  -4.517
  632    HB   ILE  82           HB       ILE  82  23.730   1.776  -3.459
  633   HG12  ILE  82          HG12      ILE  82  21.094   1.460  -1.940
  634   HG13  ILE  82          HG13      ILE  82  22.311   0.198  -2.103
  635   HG21  ILE  82          HG21      ILE  82  21.300   3.627  -3.306
  636   HG22  ILE  82          HG22      ILE  82  22.876   3.917  -2.536
  637   HG23  ILE  82          HG23      ILE  82  22.758   3.908  -4.282
  638   HD11  ILE  82          HD11      ILE  82  22.653   2.808  -0.602
  639   HD12  ILE  82          HD12      ILE  82  22.575   1.168   0.051
  640   HD13  ILE  82          HD13      ILE  82  23.972   1.654  -0.929
  641    H    GLN  83           H        GLN  83  24.214   1.005  -5.894
  642    HA   GLN  83           HA       GLN  83  24.005   3.308  -7.580
  643    HB2  GLN  83           HB2      GLN  83  25.776   0.836  -7.716
  644    HB3  GLN  83           HB3      GLN  83  25.972   2.233  -8.781
  645    HG2  GLN  83           HG2      GLN  83  26.372   3.723  -6.933
  646    HG3  GLN  83           HG3      GLN  83  26.001   2.490  -5.738
  647   HE21  GLN  83          HE21      GLN  83  29.116   0.737  -6.138
  648   HE22  GLN  83          HE22      GLN  83  27.387   0.460  -5.848
  649    H    THR  84           H        THR  84  22.869   0.006  -8.092
  650    HA   THR  84           HA       THR  84  22.272   0.227 -10.907
  651    HB   THR  84           HB       THR  84  20.965  -1.430  -8.717
  652    HG1  THR  84           HG1      THR  84  23.050  -2.045  -9.065
  653   HG21  THR  84          HG21      THR  84  20.784  -1.764 -11.720
  654   HG22  THR  84          HG22      THR  84  20.161  -2.868 -10.486
  655   HG23  THR  84          HG23      THR  84  19.436  -1.266 -10.680
  656    H    GLU  85           H        GLU  85  20.264   1.014  -7.947
  657    HA   GLU  85           HA       GLU  85  18.114   1.945  -9.713
  658    HB2  GLU  85           HB2      GLU  85  16.914   2.579  -7.800
  659    HB3  GLU  85           HB3      GLU  85  17.557   0.964  -7.546
  660    HG2  GLU  85           HG2      GLU  85  19.123   1.708  -5.937
  661    HG3  GLU  85           HG3      GLU  85  18.967   3.403  -6.407
  662    H    GLU  86           H        GLU  86  20.845   3.544  -8.047
  663    HA   GLU  86           HA       GLU  86  19.967   6.203  -8.337
  664    HB2  GLU  86           HB2      GLU  86  22.720   4.959  -8.305
  665    HB3  GLU  86           HB3      GLU  86  22.498   6.704  -8.425
  666    HG2  GLU  86           HG2      GLU  86  21.054   5.184  -6.251
  667    HG3  GLU  86           HG3      GLU  86  22.763   5.569  -6.067
  668    H    ALA  87           H        ALA  87  21.380   4.123 -10.848
  669    HA   ALA  87           HA       ALA  87  21.650   6.136 -12.886
  670    HB1  ALA  87           HB1      ALA  87  20.971   3.157 -13.113
  671    HB2  ALA  87           HB2      ALA  87  21.591   4.196 -14.407
  672    HB3  ALA  87           HB3      ALA  87  22.614   3.839 -12.998
  673    H    LEU  88           H        LEU  88  18.894   4.146 -11.806
  674    HA   LEU  88           HA       LEU  88  17.155   5.030 -14.005
  675    HB2  LEU  88           HB2      LEU  88  16.569   3.258 -11.616
  676    HB3  LEU  88           HB3      LEU  88  15.586   3.409 -13.072
  677    HG   LEU  88           HG       LEU  88  18.360   2.151 -12.838
  678   HD11  LEU  88          HD11      LEU  88  15.653   0.976 -13.523
  679   HD12  LEU  88          HD12      LEU  88  17.191   0.095 -13.346
  680   HD13  LEU  88          HD13      LEU  88  16.452   0.864 -11.936
  681   HD21  LEU  88          HD21      LEU  88  18.267   3.149 -15.022
  682   HD22  LEU  88          HD22      LEU  88  17.954   1.423 -15.211
  683   HD23  LEU  88          HD23      LEU  88  16.593   2.558 -15.280
  684    H    ASN  89           H        ASN  89  17.769   5.899 -10.721
  685    HA   ASN  89           HA       ASN  89  15.332   7.136 -10.013
  686    HB2  ASN  89           HB2      ASN  89  18.165   7.146  -9.054
  687    HB3  ASN  89           HB3      ASN  89  17.246   8.520  -8.558
  688   HD21  ASN  89          HD21      ASN  89  16.653   5.095  -6.637
  689   HD22  ASN  89          HD22      ASN  89  17.745   5.237  -8.020
  690    H    ARG  90           H        ARG  90  17.954   8.378 -11.987
  691    HA   ARG  90           HA       ARG  90  16.589  11.032 -12.281
  692    HB2  ARG  90           HB2      ARG  90  19.228   9.952 -13.343
  693    HB3  ARG  90           HB3      ARG  90  18.651  11.617 -13.519
  694    HG2  ARG  90           HG2      ARG  90  19.403  10.222 -10.911
  695    HG3  ARG  90           HG3      ARG  90  20.343  11.442 -11.766
  696    HD2  ARG  90           HD2      ARG  90  18.461  13.086 -11.400
  697    HD3  ARG  90           HD3      ARG  90  17.621  11.855 -10.460
  698    HE   ARG  90           HE       ARG  90  19.106  12.097  -8.692
  699   HH11  ARG  90          HH11      ARG  90  20.319  14.064 -11.339
  700   HH12  ARG  90          HH12      ARG  90  21.452  14.897 -10.312
  701   HH21  ARG  90          HH21      ARG  90  20.570  13.193  -7.453
  702   HH22  ARG  90          HH22      ARG  90  21.587  14.411  -8.166
  703    H    ARG  91           H        ARG  91  16.482   8.033 -13.825
  704    HA   ARG  91           HA       ARG  91  15.833   9.083 -16.546
  705    HB2  ARG  91           HB2      ARG  91  15.827   6.286 -15.346
  706    HB3  ARG  91           HB3      ARG  91  15.372   6.647 -17.015
  707    HG2  ARG  91           HG2      ARG  91  17.592   7.404 -17.562
  708    HG3  ARG  91           HG3      ARG  91  18.100   7.347 -15.876
  709    HD2  ARG  91           HD2      ARG  91  18.725   5.190 -16.118
  710    HD3  ARG  91           HD3      ARG  91  17.074   4.737 -16.435
  711    HE   ARG  91           HE       ARG  91  19.229   5.355 -18.415
  712   HH11  ARG  91          HH11      ARG  91  15.900   4.231 -18.083
  713   HH12  ARG  91          HH12      ARG  91  15.849   3.696 -19.734
  714   HH21  ARG  91          HH21      ARG  91  19.063   4.649 -20.484
  715   HH22  ARG  91          HH22      ARG  91  17.593   3.919 -21.052
  716    H    GLN  92           H        GLN  92  14.219   7.289 -13.944
  717    HA   GLN  92           HA       GLN  92  11.564   8.336 -14.848
  718    HB2  GLN  92           HB2      GLN  92  10.694   5.992 -14.688
  719    HB3  GLN  92           HB3      GLN  92  11.747   6.331 -16.063
  720    HG2  GLN  92           HG2      GLN  92  13.610   5.140 -15.026
  721    HG3  GLN  92           HG3      GLN  92  12.704   4.912 -13.532
  722   HE21  GLN  92          HE21      GLN  92  10.628   2.294 -14.947
  723   HE22  GLN  92          HE22      GLN  92  10.614   3.555 -13.724
  724    H    ILE  93           H        ILE  93  13.238   6.724 -12.123
  725    HA   ILE  93           HA       ILE  93  10.804   6.414 -10.651
  726    HB   ILE  93           HB       ILE  93  13.495   6.544  -9.284
  727   HG12  ILE  93          HG12      ILE  93  12.319   4.214 -10.868
  728   HG13  ILE  93          HG13      ILE  93  13.805   5.084 -11.245
  729   HG21  ILE  93          HG21      ILE  93  10.991   4.907  -8.730
  730   HG22  ILE  93          HG22      ILE  93  12.475   4.922  -7.749
  731   HG23  ILE  93          HG23      ILE  93  11.492   6.360  -7.835
  732   HD11  ILE  93          HD11      ILE  93  13.398   3.220  -8.894
  733   HD12  ILE  93          HD12      ILE  93  14.429   2.997 -10.307
  734   HD13  ILE  93          HD13      ILE  93  14.829   4.259  -9.126
  735    H    ASN  94           H        ASN  94  12.720   9.232 -11.078
  736    HA   ASN  94           HA       ASN  94  12.030  10.848  -8.873
  737    HB2  ASN  94           HB2      ASN  94  12.060  12.781 -10.513
  738    HB3  ASN  94           HB3      ASN  94  13.513  11.831 -10.257
  739   HD21  ASN  94          HD21      ASN  94  13.746  10.668 -13.505
  740   HD22  ASN  94          HD22      ASN  94  14.345  10.575 -11.852
  741    H    GLN  95           H        GLN  95   9.997   9.974 -11.640
  742    HA   GLN  95           HA       GLN  95   7.764  11.683 -11.069
  743    HB2  GLN  95           HB2      GLN  95   7.820   8.923 -12.356
  744    HB3  GLN  95           HB3      GLN  95   6.493  10.080 -12.469
  745    HG2  GLN  95           HG2      GLN  95   7.848  11.634 -13.755
  746    HG3  GLN  95           HG3      GLN  95   9.305  10.675 -13.511
  747   HE21  GLN  95          HE21      GLN  95   8.312   8.072 -15.813
  748   HE22  GLN  95          HE22      GLN  95   9.090   8.309 -14.239
  749    H    ALA  96           H        ALA  96   8.492   8.335 -10.014
  750    HA   ALA  96           HA       ALA  96   6.048   7.997  -8.505
  751    HB1  ALA  96           HB1      ALA  96   8.676   6.446  -8.449
  752    HB2  ALA  96           HB2      ALA  96   7.131   5.919  -7.754
  753    HB3  ALA  96           HB3      ALA  96   7.284   6.120  -9.508
  754    H    LEU  97           H        LEU  97   9.460   8.687  -7.510
  755    HA   LEU  97           HA       LEU  97   8.808   8.816  -4.717
  756    HB2  LEU  97           HB2      LEU  97  11.039   9.673  -4.393
  757    HB3  LEU  97           HB3      LEU  97  10.990   8.292  -5.481
  758    HG   LEU  97           HG       LEU  97  11.015  10.156  -7.337
  759   HD11  LEU  97          HD11      LEU  97  12.460  11.549  -5.047
  760   HD12  LEU  97          HD12      LEU  97  12.497  12.064  -6.744
  761   HD13  LEU  97          HD13      LEU  97  10.986  12.131  -5.839
  762   HD21  LEU  97          HD21      LEU  97  12.751   8.420  -7.051
  763   HD22  LEU  97          HD22      LEU  97  13.532   9.974  -7.380
  764   HD23  LEU  97          HD23      LEU  97  13.476   9.344  -5.723
  765    H    LEU  98           H        LEU  98   8.649  11.286  -7.186
  766    HA   LEU  98           HA       LEU  98   8.067  13.499  -5.388
  767    HB2  LEU  98           HB2      LEU  98   8.836  13.919  -7.663
  768    HB3  LEU  98           HB3      LEU  98   7.489  12.990  -8.332
  769    HG   LEU  98           HG       LEU  98   5.881  14.651  -7.448
  770   HD11  LEU  98          HD11      LEU  98   8.386  16.245  -6.723
  771   HD12  LEU  98          HD12      LEU  98   6.728  16.883  -6.733
  772   HD13  LEU  98          HD13      LEU  98   7.174  15.622  -5.582
  773   HD21  LEU  98          HD21      LEU  98   6.728  14.800  -9.759
  774   HD22  LEU  98          HD22      LEU  98   6.414  16.411  -9.093
  775   HD23  LEU  98          HD23      LEU  98   8.085  15.811  -9.209
  776    H    SER  99           H        SER  99   6.041  11.179  -7.260
  777    HA   SER  99           HA       SER  99   3.547  12.256  -6.512
  778    HB2  SER  99           HB2      SER  99   3.951  10.679  -8.389
  779    HB3  SER  99           HB3      SER  99   4.187   9.367  -7.217
  780    HG   SER  99           HG       SER  99   2.019   9.480  -8.061
  781    H    THR 100           H        THR 100   5.597   9.911  -4.825
  782    HA   THR 100           HA       THR 100   3.605   9.415  -2.696
  783    HB   THR 100           HB       THR 100   5.347   8.087  -1.626
  784    HG1  THR 100           HG1      THR 100   7.303   7.761  -2.732
  785   HG21  THR 100          HG21      THR 100   5.068   7.407  -4.583
  786   HG22  THR 100          HG22      THR 100   5.498   6.291  -3.272
  787   HG23  THR 100          HG23      THR 100   3.885   7.024  -3.315
  788    H    GLY 101           H        GLY 101   6.662  11.247  -3.023
  789    HA2  GLY 101           HA2      GLY 101   7.362  13.132  -1.933
  790    HA3  GLY 101           HA3      GLY 101   5.812  13.225  -1.090
  791    H    ASP 102           H        ASP 102   7.533  10.243  -0.704
  792    HA   ASP 102           HA       ASP 102   7.908  10.699   2.152
  793    HB2  ASP 102           HB2      ASP 102   8.606   8.373   0.338
  794    HB3  ASP 102           HB3      ASP 102   8.963   8.390   2.058
  795    H    LEU 103           H        LEU 103   9.887  10.292   3.316
  796    HA   LEU 103           HA       LEU 103  11.949  12.109   2.494
  797    HB2  LEU 103           HB2      LEU 103  11.312  11.967   4.759
  798    HB3  LEU 103           HB3      LEU 103  11.606  10.236   4.854
  799    HG   LEU 103           HG       LEU 103  13.976  11.971   4.192
  800   HD11  LEU 103          HD11      LEU 103  12.750  11.747   6.978
  801   HD12  LEU 103          HD12      LEU 103  14.347  12.429   6.607
  802   HD13  LEU 103          HD13      LEU 103  12.885  13.232   6.012
  803   HD21  LEU 103          HD21      LEU 103  14.247   9.497   4.422
  804   HD22  LEU 103          HD22      LEU 103  15.145  10.378   5.661
  805   HD23  LEU 103          HD23      LEU 103  13.608   9.595   6.068
  806    H    ALA 104           H        ALA 104  13.899  11.857   1.718
  807    HA   ALA 104           HA       ALA 104  15.471   9.496   2.107
  808    HB1  ALA 104           HB1      ALA 104  14.711  10.203  -0.775
  809    HB2  ALA 104           HB2      ALA 104  16.000   9.071  -0.312
  810    HB3  ALA 104           HB3      ALA 104  14.315   8.700   0.080
  811    H    HIS 105           H        HIS 105  16.700  11.040   3.270
  812    HA   HIS 105           HA       HIS 105  18.111  13.140   1.644
  813    HB2  HIS 105           HB2      HIS 105  17.504  13.082   4.612
  814    HB3  HIS 105           HB3      HIS 105  18.416  14.331   3.768
  815    HD2  HIS 105           HD2      HIS 105  15.315  14.289   5.280
  816    HE1  HIS 105           HE1      HIS 105  14.283  16.101   1.557
  817    HE2  HIS 105           HE2      HIS 105  13.515  15.686   3.951
  818    H    ASP 106           H        ASP 106  18.773  10.951   4.432
  819    HA   ASP 106           HA       ASP 106  21.555  10.583   3.471
  820    HB2  ASP 106           HB2      ASP 106  21.429  12.607   4.967
  821    HB3  ASP 106           HB3      ASP 106  20.851  11.564   6.264
  822    H    GLU 107           H        GLU 107  19.420   8.747   3.383
  823    HA   GLU 107           HA       GLU 107  19.298   7.074   5.739
  824    HB2  GLU 107           HB2      GLU 107  18.375   6.659   2.873
  825    HB3  GLU 107           HB3      GLU 107  18.042   5.532   4.182
  826    HG2  GLU 107           HG2      GLU 107  17.144   8.450   4.126
  827    HG3  GLU 107           HG3      GLU 107  16.147   7.068   3.702
  828    H    PHE 108           H        PHE 108  21.361   6.978   2.930
  829    HA   PHE 108           HA       PHE 108  22.844   4.638   3.995
  830    HB2  PHE 108           HB2      PHE 108  21.878   4.934   1.127
  831    HB3  PHE 108           HB3      PHE 108  23.075   3.774   1.671
  832    HD1  PHE 108           HD1      PHE 108  22.461   1.796   2.976
  833    HD2  PHE 108           HD2      PHE 108  19.479   4.655   1.746
  834    HE1  PHE 108           HE1      PHE 108  20.668   0.159   3.515
  835    HE2  PHE 108           HE2      PHE 108  17.686   3.016   2.285
  836    HZ   PHE 108           HZ       PHE 108  18.280   0.767   3.169
  Start of MODEL   15
    1    H1   ALA   1           H1       ALA   1   1.895  -5.327   1.199
    2    H2   ALA   1           H2       ALA   1   1.726  -3.710   1.386
    3    H3   ALA   1           H3       ALA   1   3.075  -4.458   1.930
    4    HA   ALA   1           HA       ALA   1   3.556  -3.262  -0.096
    5    HB1  ALA   1           HB1      ALA   1   3.657  -6.296  -0.471
    6    HB2  ALA   1           HB2      ALA   1   4.630  -5.097  -1.347
    7    HB3  ALA   1           HB3      ALA   1   4.861  -5.313   0.392
    8    H    VAL   2           H        VAL   2   3.315  -3.111  -2.443
    9    HA   VAL   2           HA       VAL   2   0.484  -3.578  -3.299
   10    HB   VAL   2           HB       VAL   2   0.766  -1.716  -4.831
   11   HG11  VAL   2          HG11      VAL   2   1.568  -0.957  -1.996
   12   HG12  VAL   2          HG12      VAL   2   0.771   0.073  -3.200
   13   HG13  VAL   2          HG13      VAL   2  -0.082  -1.333  -2.542
   14   HG21  VAL   2          HG21      VAL   2   3.226  -1.853  -5.230
   15   HG22  VAL   2          HG22      VAL   2   2.690  -0.234  -4.764
   16   HG23  VAL   2          HG23      VAL   2   3.512  -1.259  -3.577
   17    H    GLU   3           H        GLU   3   3.377  -5.069  -3.837
   18    HA   GLU   3           HA       GLU   3   2.461  -6.163  -6.431
   19    HB2  GLU   3           HB2      GLU   3   4.055  -4.253  -6.860
   20    HB3  GLU   3           HB3      GLU   3   5.303  -5.152  -5.995
   21    HG2  GLU   3           HG2      GLU   3   5.156  -6.970  -7.675
   22    HG3  GLU   3           HG3      GLU   3   3.836  -6.130  -8.487
   23    H    VAL   4           H        VAL   4   3.204  -8.269  -6.869
   24    HA   VAL   4           HA       VAL   4   4.057  -9.790  -4.461
   25    HB   VAL   4           HB       VAL   4   2.870 -11.046  -6.903
   26   HG11  VAL   4          HG11      VAL   4   2.592 -11.658  -3.911
   27   HG12  VAL   4          HG12      VAL   4   1.924 -12.631  -5.237
   28   HG13  VAL   4          HG13      VAL   4   3.667 -12.525  -5.019
   29   HG21  VAL   4          HG21      VAL   4   1.234  -9.293  -6.456
   30   HG22  VAL   4          HG22      VAL   4   0.588 -10.817  -5.869
   31   HG23  VAL   4          HG23      VAL   4   1.270  -9.652  -4.713
   32    H    GLU   5           H        GLU   5   5.951  -8.416  -6.149
   33    HA   GLU   5           HA       GLU   5   7.951  -8.613  -7.223
   34    HB2  GLU   5           HB2      GLU   5   8.128 -11.266  -5.755
   35    HB3  GLU   5           HB3      GLU   5   9.467 -10.352  -6.458
   36    HG2  GLU   5           HG2      GLU   5   9.022  -8.472  -4.921
   37    HG3  GLU   5           HG3      GLU   5   7.688  -9.369  -4.189
   38    H    VAL   6           H        VAL   6   5.816  -9.229  -8.826
   39    HA   VAL   6           HA       VAL   6   6.019 -11.690 -10.197
   40    HB   VAL   6           HB       VAL   6   4.682  -9.125 -11.106
   41   HG11  VAL   6          HG11      VAL   6   4.329 -11.986 -12.102
   42   HG12  VAL   6          HG12      VAL   6   3.282 -10.613 -12.520
   43   HG13  VAL   6          HG13      VAL   6   4.965 -10.615 -13.042
   44   HG21  VAL   6          HG21      VAL   6   3.770  -9.949  -8.976
   45   HG22  VAL   6          HG22      VAL   6   2.622 -10.239 -10.282
   46   HG23  VAL   6          HG23      VAL   6   3.605 -11.582  -9.658
   47    HA   PRO   7           HA       PRO   7   8.434  -9.788 -13.784
   48    HB2  PRO   7           HB2      PRO   7   9.522  -7.334 -13.843
   49    HB3  PRO   7           HB3      PRO   7   7.770  -7.553 -14.080
   50    HG2  PRO   7           HG2      PRO   7   9.189  -6.888 -11.483
   51    HG3  PRO   7           HG3      PRO   7   7.810  -6.010 -12.229
   52    HD2  PRO   7           HD2      PRO   7   7.440  -7.891 -10.304
   53    HD3  PRO   7           HD3      PRO   7   6.297  -7.730 -11.673
   54    H    GLY   8           H        GLY   8  10.684  -9.501 -14.386
   55    HA2  GLY   8           HA2      GLY   8  12.960  -8.893 -13.193
   56    HA3  GLY   8           HA3      GLY   8  12.625 -10.361 -12.283
   57    H    LEU   9           H        LEU   9  14.817  -9.654 -14.215
   58    HA   LEU   9           HA       LEU   9  14.796 -12.237 -15.595
   59    HB2  LEU   9           HB2      LEU   9  15.426 -11.366 -17.797
   60    HB3  LEU   9           HB3      LEU   9  13.801 -10.997 -17.282
   61    HG   LEU   9           HG       LEU   9  14.550  -8.648 -16.737
   62   HD11  LEU   9          HD11      LEU   9  17.010  -9.457 -18.340
   63   HD12  LEU   9          HD12      LEU   9  16.542  -7.786 -17.950
   64   HD13  LEU   9          HD13      LEU   9  16.982  -8.905 -16.658
   65   HD21  LEU   9          HD21      LEU   9  13.301  -9.226 -18.773
   66   HD22  LEU   9          HD22      LEU   9  14.469  -7.937 -19.095
   67   HD23  LEU   9          HD23      LEU   9  14.822  -9.601 -19.611
   68    H    LEU  10           H        LEU  10  16.205 -11.450 -13.310
   69    HA   LEU  10           HA       LEU  10  18.992 -10.938 -13.871
   70    HB2  LEU  10           HB2      LEU  10  17.547 -12.279 -11.564
   71    HB3  LEU  10           HB3      LEU  10  19.285 -12.251 -11.650
   72    HG   LEU  10           HG       LEU  10  17.830  -9.628 -11.915
   73   HD11  LEU  10          HD11      LEU  10  18.344 -11.060  -9.274
   74   HD12  LEU  10          HD12      LEU  10  17.851  -9.359  -9.449
   75   HD13  LEU  10          HD13      LEU  10  16.756 -10.653  -9.961
   76   HD21  LEU  10          HD21      LEU  10  20.326  -9.755 -12.126
   77   HD22  LEU  10          HD22      LEU  10  19.807  -8.758 -10.753
   78   HD23  LEU  10          HD23      LEU  10  20.402 -10.403 -10.462
   79    H    THR  11           H        THR  11  20.267 -12.144 -15.035
   80    HA   THR  11           HA       THR  11  20.048 -15.109 -14.882
   81    HB   THR  11           HB       THR  11  20.754 -13.394 -17.277
   82    HG1  THR  11           HG1      THR  11  18.943 -14.402 -18.135
   83   HG21  THR  11          HG21      THR  11  20.974 -16.410 -16.896
   84   HG22  THR  11          HG22      THR  11  20.928 -15.615 -18.483
   85   HG23  THR  11          HG23      THR  11  22.258 -15.269 -17.377
   86    H    ASP  12           H        ASP  12  21.826 -16.255 -14.549
   87    HA   ASP  12           HA       ASP  12  24.252 -15.030 -13.571
   88    HB2  ASP  12           HB2      ASP  12  24.924 -17.310 -13.117
   89    HB3  ASP  12           HB3      ASP  12  23.311 -17.002 -12.515
   90    H    HIS  13           H        HIS  13  24.329 -13.866 -15.811
   91    HA   HIS  13           HA       HIS  13  25.824 -15.356 -17.888
   92    HB2  HIS  13           HB2      HIS  13  24.876 -12.491 -17.629
   93    HB3  HIS  13           HB3      HIS  13  25.994 -12.992 -18.893
   94    HD2  HIS  13           HD2      HIS  13  24.744 -15.598 -20.008
   95    HE1  HIS  13           HE1      HIS  13  21.190 -13.319 -20.608
   96    HE2  HIS  13           HE2      HIS  13  22.450 -15.425 -21.291
   97    H    THR  14           H        THR  14  27.000 -15.726 -15.510
   98    HA   THR  14           HA       THR  14  29.453 -14.112 -15.616
   99    HB   THR  14           HB       THR  14  29.543 -14.072 -13.147
  100    HG1  THR  14           HG1      THR  14  27.638 -14.542 -12.017
  101   HG21  THR  14          HG21      THR  14  26.923 -12.849 -14.080
  102   HG22  THR  14          HG22      THR  14  27.943 -12.338 -12.723
  103   HG23  THR  14          HG23      THR  14  28.519 -12.130 -14.383
  104    H    VAL  15           H        VAL  15  31.396 -15.186 -15.400
  105    HA   VAL  15           HA       VAL  15  31.317 -18.118 -14.839
  106    HB   VAL  15           HB       VAL  15  32.703 -18.545 -16.814
  107   HG11  VAL  15          HG11      VAL  15  30.080 -17.191 -17.510
  108   HG12  VAL  15          HG12      VAL  15  30.917 -18.465 -18.422
  109   HG13  VAL  15          HG13      VAL  15  30.247 -18.818 -16.818
  110   HG21  VAL  15          HG21      VAL  15  33.676 -16.301 -17.233
  111   HG22  VAL  15          HG22      VAL  15  32.853 -16.946 -18.658
  112   HG23  VAL  15          HG23      VAL  15  32.071 -15.687 -17.681
  113    H    SER  16           H        SER  16  32.189 -16.192 -13.057
  114    HA   SER  16           HA       SER  16  35.149 -16.722 -12.847
  115    HB2  SER  16           HB2      SER  16  35.093 -14.457 -13.344
  116    HB3  SER  16           HB3      SER  16  33.553 -14.204 -12.517
  117    HG   SER  16           HG       SER  16  36.126 -14.204 -11.472
  118    H    SER  17           H        SER  17  36.013 -16.996 -10.694
  119    HA   SER  17           HA       SER  17  34.387 -18.472  -8.872
  120    HB2  SER  17           HB2      SER  17  36.322 -18.212  -7.329
  121    HB3  SER  17           HB3      SER  17  36.780 -18.763  -8.951
  122    HG   SER  17           HG       SER  17  38.165 -17.080  -8.217
  123    H    ILE  18           H        ILE  18  35.274 -15.039  -8.927
  124    HA   ILE  18           HA       ILE  18  33.531 -14.434  -6.585
  125    HB   ILE  18           HB       ILE  18  34.310 -11.999  -7.301
  126   HG12  ILE  18          HG12      ILE  18  36.716 -13.633  -8.205
  127   HG13  ILE  18          HG13      ILE  18  35.515 -12.939  -9.308
  128   HG21  ILE  18          HG21      ILE  18  36.096 -13.942  -5.786
  129   HG22  ILE  18          HG22      ILE  18  36.076 -12.167  -5.622
  130   HG23  ILE  18          HG23      ILE  18  34.675 -13.104  -5.121
  131   HD11  ILE  18          HD11      ILE  18  37.047 -11.179  -7.432
  132   HD12  ILE  18          HD12      ILE  18  37.632 -11.652  -9.049
  133   HD13  ILE  18          HD13      ILE  18  36.121 -10.774  -8.901
  134    H    GLY  19           H        GLY  19  33.599 -13.816 -10.146
  135    HA2  GLY  19           HA2      GLY  19  31.291 -12.093 -10.066
  136    HA3  GLY  19           HA3      GLY  19  31.922 -12.916 -11.489
  137    H    HIS  20           H        HIS  20  31.515 -15.646 -10.246
  138    HA   HIS  20           HA       HIS  20  28.706 -16.112 -10.807
  139    HB2  HIS  20           HB2      HIS  20  30.435 -17.813 -11.185
  140    HB3  HIS  20           HB3      HIS  20  30.771 -17.873  -9.449
  141    HD2  HIS  20           HD2      HIS  20  29.283 -19.449  -7.989
  142    HE1  HIS  20           HE1      HIS  20  26.379 -20.547 -10.917
  143    HE2  HIS  20           HE2      HIS  20  27.237 -21.013  -8.564
  144    H    ASP  21           H        ASP  21  30.629 -15.601  -7.808
  145    HA   ASP  21           HA       ASP  21  28.387 -16.185  -6.038
  146    HB2  ASP  21           HB2      ASP  21  31.139 -14.965  -5.635
  147    HB3  ASP  21           HB3      ASP  21  29.928 -15.029  -4.362
  148    H    PHE  22           H        PHE  22  29.774 -13.184  -7.499
  149    HA   PHE  22           HA       PHE  22  28.176 -11.298  -6.123
  150    HB2  PHE  22           HB2      PHE  22  29.984 -10.749  -7.762
  151    HB3  PHE  22           HB3      PHE  22  28.950 -11.258  -9.070
  152    HD1  PHE  22           HD1      PHE  22  26.849 -10.012  -9.588
  153    HD2  PHE  22           HD2      PHE  22  29.638  -8.531  -6.672
  154    HE1  PHE  22           HE1      PHE  22  25.806  -7.764  -9.744
  155    HE2  PHE  22           HE2      PHE  22  28.653  -6.265  -6.886
  156    HZ   PHE  22           HZ       PHE  22  26.733  -5.887  -8.426
  157    H    TYR  23           H        TYR  23  27.297 -13.251  -9.006
  158    HA   TYR  23           HA       TYR  23  24.733 -12.173  -9.463
  159    HB2  TYR  23           HB2      TYR  23  25.729 -13.784 -10.988
  160    HB3  TYR  23           HB3      TYR  23  25.696 -15.042  -9.746
  161    HD1  TYR  23           HD1      TYR  23  23.779 -16.394  -9.393
  162    HD2  TYR  23           HD2      TYR  23  23.509 -12.845 -11.815
  163    HE1  TYR  23           HE1      TYR  23  21.417 -16.952  -9.938
  164    HE2  TYR  23           HE2      TYR  23  21.126 -13.361 -12.305
  165    HH   TYR  23           HH       TYR  23  19.495 -16.292 -11.036
  166    H    ARG  24           H        ARG  24  25.543 -14.928  -7.322
  167    HA   ARG  24           HA       ARG  24  22.841 -15.299  -6.366
  168    HB2  ARG  24           HB2      ARG  24  25.452 -16.211  -5.063
  169    HB3  ARG  24           HB3      ARG  24  23.828 -16.836  -4.758
  170    HG2  ARG  24           HG2      ARG  24  23.772 -17.467  -7.271
  171    HG3  ARG  24           HG3      ARG  24  25.493 -17.104  -7.295
  172    HD2  ARG  24           HD2      ARG  24  25.302 -19.454  -6.990
  173    HD3  ARG  24           HD3      ARG  24  25.848 -18.761  -5.451
  174    HE   ARG  24           HE       ARG  24  22.948 -19.020  -5.592
  175   HH11  ARG  24          HH11      ARG  24  25.803 -20.954  -4.948
  176   HH12  ARG  24          HH12      ARG  24  24.913 -22.113  -4.000
  177   HH21  ARG  24          HH21      ARG  24  21.882 -20.523  -4.354
  178   HH22  ARG  24          HH22      ARG  24  22.748 -21.870  -3.680
  179    H    ALA  25           H        ALA  25  25.672 -13.680  -4.933
  180    HA   ALA  25           HA       ALA  25  24.372 -12.924  -2.490
  181    HB1  ALA  25           HB1      ALA  25  26.712 -11.597  -3.930
  182    HB2  ALA  25           HB2      ALA  25  26.319 -11.479  -2.197
  183    HB3  ALA  25           HB3      ALA  25  26.851 -13.027  -2.876
  184    H    PHE  26           H        PHE  26  24.723 -11.122  -5.607
  185    HA   PHE  26           HA       PHE  26  23.422  -8.753  -4.692
  186    HB2  PHE  26           HB2      PHE  26  24.782  -8.844  -6.716
  187    HB3  PHE  26           HB3      PHE  26  23.698  -9.990  -7.465
  188    HD1  PHE  26           HD1      PHE  26  21.207  -9.178  -7.886
  189    HD2  PHE  26           HD2      PHE  26  24.529  -6.529  -7.137
  190    HE1  PHE  26           HE1      PHE  26  19.938  -7.315  -8.872
  191    HE2  PHE  26           HE2      PHE  26  23.268  -4.671  -8.217
  192    HZ   PHE  26           HZ       PHE  26  20.958  -5.070  -9.074
  193    H    SER  27           H        SER  27  22.071 -11.633  -6.425
  194    HA   SER  27           HA       SER  27  19.407 -10.609  -6.459
  195    HB2  SER  27           HB2      SER  27  18.700 -12.763  -7.190
  196    HB3  SER  27           HB3      SER  27  20.232 -12.362  -7.988
  197    HG   SER  27           HG       SER  27  20.165 -14.538  -7.181
  198    H    ASP  28           H        ASP  28  21.098 -12.510  -3.984
  199    HA   ASP  28           HA       ASP  28  18.870 -13.162  -2.344
  200    HB2  ASP  28           HB2      ASP  28  21.838 -12.781  -1.897
  201    HB3  ASP  28           HB3      ASP  28  20.785 -12.965  -0.512
  202    H    LYS  29           H        LYS  29  20.697 -10.096  -2.544
  203    HA   LYS  29           HA       LYS  29  18.764  -8.945  -0.563
  204    HB2  LYS  29           HB2      LYS  29  20.677  -7.071  -0.503
  205    HB3  LYS  29           HB3      LYS  29  20.493  -8.366   0.632
  206    HG2  LYS  29           HG2      LYS  29  22.298  -8.641  -1.793
  207    HG3  LYS  29           HG3      LYS  29  22.829  -7.789  -0.355
  208    HD2  LYS  29           HD2      LYS  29  22.009 -10.718  -0.401
  209    HD3  LYS  29           HD3      LYS  29  23.653 -10.090  -0.388
  210    HE2  LYS  29           HE2      LYS  29  23.215  -8.973   1.805
  211    HE3  LYS  29           HE3      LYS  29  21.584  -9.650   1.820
  212    HZ1  LYS  29           HZ1      LYS  29  24.092 -11.270   1.838
  213    HZ2  LYS  29           HZ2      LYS  29  23.116 -11.018   3.119
  214    HZ3  LYS  29           HZ3      LYS  29  22.573 -11.891   1.856
  215    H    TRP  30           H        TRP  30  19.063  -9.012  -3.785
  216    HA   TRP  30           HA       TRP  30  18.646  -6.332  -4.556
  217    HB2  TRP  30           HB2      TRP  30  19.214  -8.062  -6.148
  218    HB3  TRP  30           HB3      TRP  30  17.689  -8.901  -5.844
  219    HD1  TRP  30           HD1      TRP  30  15.943  -8.439  -7.621
  220    HE1  TRP  30           HE1      TRP  30  15.311  -6.511  -9.189
  221    HE3  TRP  30           HE3      TRP  30  19.569  -5.082  -6.274
  222    HZ2  TRP  30           HZ2      TRP  30  16.188  -3.819  -9.701
  223    HZ3  TRP  30           HZ3      TRP  30  19.600  -2.814  -7.256
  224    HH2  TRP  30           HH2      TRP  30  17.957  -2.163  -8.982
  225    H    GLU  31           H        GLU  31  17.055  -4.938  -4.516
  226    HA   GLU  31           HA       GLU  31  14.268  -5.628  -4.709
  227    HB2  GLU  31           HB2      GLU  31  14.619  -5.877  -2.236
  228    HB3  GLU  31           HB3      GLU  31  15.234  -4.223  -2.168
  229    HG2  GLU  31           HG2      GLU  31  13.039  -3.368  -2.930
  230    HG3  GLU  31           HG3      GLU  31  12.442  -5.020  -3.102
  231    H    SER  32           H        SER  32  13.228  -3.915  -5.767
  232    HA   SER  32           HA       SER  32  14.297  -1.190  -5.581
  233    HB2  SER  32           HB2      SER  32  15.565  -2.390  -7.423
  234    HB3  SER  32           HB3      SER  32  14.051  -2.271  -8.353
  235    HG   SER  32           HG       SER  32  15.659  -0.199  -7.201
  236    H    ASP  33           H        ASP  33  12.945   0.380  -6.803
  237    HA   ASP  33           HA       ASP  33  10.107  -0.184  -6.231
  238    HB2  ASP  33           HB2      ASP  33  11.313   1.877  -5.473
  239    HB3  ASP  33           HB3      ASP  33  11.414   2.391  -7.159
  240    H    TYR  34           H        TYR  34  12.082   0.133  -9.093
  241    HA   TYR  34           HA       TYR  34   9.816   0.475 -10.940
  242    HB2  TYR  34           HB2      TYR  34  11.380   0.815 -12.611
  243    HB3  TYR  34           HB3      TYR  34  12.118   1.566 -11.215
  244    HD1  TYR  34           HD1      TYR  34  13.788   0.051  -9.850
  245    HD2  TYR  34           HD2      TYR  34  12.682  -0.655 -13.956
  246    HE1  TYR  34           HE1      TYR  34  15.680  -1.497 -10.061
  247    HE2  TYR  34           HE2      TYR  34  14.612  -2.177 -14.205
  248    HH   TYR  34           HH       TYR  34  16.917  -2.836 -11.548
  249    H    THR  35           H        THR  35  10.456  -1.112 -13.068
  250    HA   THR  35           HA       THR  35   9.132  -3.544 -12.369
  251    HB   THR  35           HB       THR  35  10.417  -3.099 -15.049
  252    HG1  THR  35           HG1      THR  35   8.736  -1.667 -15.577
  253   HG21  THR  35          HG21      THR  35   7.619  -3.991 -14.176
  254   HG22  THR  35          HG22      THR  35   8.186  -3.874 -15.858
  255   HG23  THR  35          HG23      THR  35   8.909  -5.058 -14.771
  256    H    GLY  36           H        GLY  36  12.450  -2.964 -12.046
  257    HA2  GLY  36           HA2      GLY  36  14.152  -4.396 -11.506
  258    HA3  GLY  36           HA3      GLY  36  12.896  -5.620 -11.237
  259    H    ASN  37           H        ASN  37  13.398  -4.301 -14.434
  260    HA   ASN  37           HA       ASN  37  14.091  -6.983 -15.394
  261    HB2  ASN  37           HB2      ASN  37  13.612  -4.434 -16.956
  262    HB3  ASN  37           HB3      ASN  37  13.778  -6.059 -17.624
  263   HD21  ASN  37          HD21      ASN  37  10.509  -7.081 -16.355
  264   HD22  ASN  37          HD22      ASN  37  12.150  -7.710 -16.305
  265    H    LEU  38           H        LEU  38  16.114  -6.851 -14.142
  266    HA   LEU  38           HA       LEU  38  18.349  -5.772 -15.803
  267    HB2  LEU  38           HB2      LEU  38  19.577  -5.137 -13.992
  268    HB3  LEU  38           HB3      LEU  38  17.959  -4.574 -13.604
  269    HG   LEU  38           HG       LEU  38  19.368  -7.027 -12.431
  270   HD11  LEU  38          HD11      LEU  38  18.680  -4.290 -11.330
  271   HD12  LEU  38          HD12      LEU  38  19.160  -5.655 -10.317
  272   HD13  LEU  38          HD13      LEU  38  20.292  -5.033 -11.514
  273   HD21  LEU  38          HD21      LEU  38  16.933  -7.447 -12.434
  274   HD22  LEU  38          HD22      LEU  38  17.523  -7.128 -10.810
  275   HD23  LEU  38          HD23      LEU  38  16.659  -5.847 -11.690
  276    H    THR  39           H        THR  39  20.325  -6.852 -15.913
  277    HA   THR  39           HA       THR  39  20.503  -9.585 -14.763
  278    HB   THR  39           HB       THR  39  19.629  -9.765 -17.097
  279    HG1  THR  39           HG1      THR  39  21.399 -11.349 -17.529
  280   HG21  THR  39          HG21      THR  39  22.446  -8.951 -17.905
  281   HG22  THR  39          HG22      THR  39  21.160  -9.571 -18.959
  282   HG23  THR  39          HG23      THR  39  20.971  -7.992 -18.184
  283    H    ILE  40           H        ILE  40  22.743 -10.472 -14.980
  284    HA   ILE  40           HA       ILE  40  24.725  -8.311 -14.300
  285    HB   ILE  40           HB       ILE  40  24.232 -10.983 -12.963
  286   HG12  ILE  40          HG12      ILE  40  24.048  -8.212 -11.693
  287   HG13  ILE  40          HG13      ILE  40  22.648  -9.005 -12.404
  288   HG21  ILE  40          HG21      ILE  40  26.305  -8.905 -12.109
  289   HG22  ILE  40          HG22      ILE  40  26.063 -10.561 -11.488
  290   HG23  ILE  40          HG23      ILE  40  26.709 -10.327 -13.083
  291   HD11  ILE  40          HD11      ILE  40  24.286 -10.124 -10.114
  292   HD12  ILE  40          HD12      ILE  40  22.663  -9.413 -10.038
  293   HD13  ILE  40          HD13      ILE  40  22.900 -10.929 -10.906
  294    H    ASN  41           H        ASN  41  26.533  -8.399 -15.423
  295    HA   ASN  41           HA       ASN  41  27.267 -10.872 -16.923
  296    HB2  ASN  41           HB2      ASN  41  27.757  -8.015 -17.835
  297    HB3  ASN  41           HB3      ASN  41  27.867  -9.490 -18.781
  298   HD21  ASN  41          HD21      ASN  41  24.252  -7.576 -18.290
  299   HD22  ASN  41          HD22      ASN  41  25.634  -7.170 -17.277
  300    H    GLU  42           H        GLU  42  29.536 -11.432 -16.804
  301    HA   GLU  42           HA       GLU  42  31.295  -9.342 -15.664
  302    HB2  GLU  42           HB2      GLU  42  32.317 -10.752 -14.075
  303    HB3  GLU  42           HB3      GLU  42  30.602 -11.028 -13.914
  304    HG2  GLU  42           HG2      GLU  42  31.358 -13.176 -13.853
  305    HG3  GLU  42           HG3      GLU  42  31.070 -12.992 -15.590
  306    H    ARG  43           H        ARG  43  33.516  -9.450 -16.115
  307    HA   ARG  43           HA       ARG  43  34.268 -11.203 -18.405
  308    HB2  ARG  43           HB2      ARG  43  33.914  -8.835 -19.154
  309    HB3  ARG  43           HB3      ARG  43  35.258  -8.353 -18.119
  310    HG2  ARG  43           HG2      ARG  43  36.779  -9.887 -19.344
  311    HG3  ARG  43           HG3      ARG  43  35.426 -10.409 -20.368
  312    HD2  ARG  43           HD2      ARG  43  35.153  -8.086 -21.185
  313    HD3  ARG  43           HD3      ARG  43  36.525  -7.572 -20.176
  314    HE   ARG  43           HE       ARG  43  37.421  -9.722 -21.785
  315   HH11  ARG  43          HH11      ARG  43  36.365  -6.423 -22.336
  316   HH12  ARG  43          HH12      ARG  43  37.305  -6.269 -23.794
  317   HH21  ARG  43          HH21      ARG  43  38.596  -9.459 -23.653
  318   HH22  ARG  43          HH22      ARG  43  38.539  -7.949 -24.514
  319    HA   PRO  44           HA       PRO  44  37.183 -12.176 -15.158
  320    HB2  PRO  44           HB2      PRO  44  37.958 -14.637 -16.022
  321    HB3  PRO  44           HB3      PRO  44  36.326 -14.319 -15.382
  322    HG2  PRO  44           HG2      PRO  44  37.214 -14.462 -18.279
  323    HG3  PRO  44           HG3      PRO  44  35.795 -15.242 -17.511
  324    HD2  PRO  44           HD2      PRO  44  35.642 -12.857 -18.868
  325    HD3  PRO  44           HD3      PRO  44  34.579 -13.259 -17.492
  326    H    SER  45           H        SER  45  39.310 -11.625 -14.882
  327    HA   SER  45           HA       SER  45  41.267 -11.966 -17.056
  328    HB2  SER  45           HB2      SER  45  40.184  -9.762 -17.547
  329    HB3  SER  45           HB3      SER  45  40.759  -9.185 -15.972
  330    HG   SER  45           HG       SER  45  42.254  -9.973 -18.271
  331    H    ALA  46           H        ALA  46  43.060 -12.717 -16.198
  332    HA   ALA  46           HA       ALA  46  43.433 -12.967 -13.408
  333    HB1  ALA  46           HB1      ALA  46  45.398 -13.418 -15.699
  334    HB2  ALA  46           HB2      ALA  46  45.537 -14.091 -14.060
  335    HB3  ALA  46           HB3      ALA  46  44.199 -14.595 -15.108
  336    H    ARG  47           H        ARG  47  44.244 -10.277 -15.328
  337    HA   ARG  47           HA       ARG  47  46.397  -9.063 -13.948
  338    HB2  ARG  47           HB2      ARG  47  45.509  -6.975 -14.784
  339    HB3  ARG  47           HB3      ARG  47  45.275  -8.220 -16.009
  340    HG2  ARG  47           HG2      ARG  47  42.876  -8.476 -15.033
  341    HG3  ARG  47           HG3      ARG  47  43.175  -6.963 -14.184
  342    HD2  ARG  47           HD2      ARG  47  43.413  -7.306 -17.197
  343    HD3  ARG  47           HD3      ARG  47  41.941  -6.779 -16.372
  344    HE   ARG  47           HE       ARG  47  44.039  -5.075 -15.504
  345   HH11  ARG  47          HH11      ARG  47  42.298  -5.679 -18.486
  346   HH12  ARG  47          HH12      ARG  47  42.516  -4.046 -19.054
  347   HH21  ARG  47          HH21      ARG  47  44.293  -3.008 -16.293
  348   HH22  ARG  47          HH22      ARG  47  43.622  -2.577 -17.837
  349    H    ALA  48           H        ALA  48  43.075  -9.524 -12.843
  350    HA   ALA  48           HA       ALA  48  43.733  -8.543 -10.151
  351    HB1  ALA  48           HB1      ALA  48  41.964  -6.972 -12.067
  352    HB2  ALA  48           HB2      ALA  48  41.894  -6.761 -10.312
  353    HB3  ALA  48           HB3      ALA  48  43.393  -6.408 -11.187
  354    H    GLY  49           H        GLY  49  41.287 -10.099 -12.286
  355    HA2  GLY  49           HA2      GLY  49  39.980 -11.774 -10.671
  356    HA3  GLY  49           HA3      GLY  49  39.356 -10.253 -10.036
  357    H    SER  50           H        SER  50  37.529  -9.457 -10.944
  358    HA   SER  50           HA       SER  50  36.905 -10.081 -13.779
  359    HB2  SER  50           HB2      SER  50  34.521 -10.473 -13.121
  360    HB3  SER  50           HB3      SER  50  35.647 -11.769 -12.680
  361    HG   SER  50           HG       SER  50  34.331 -11.375 -10.940
  362    H    TRP  51           H        TRP  51  35.783  -8.569 -14.900
  363    HA   TRP  51           HA       TRP  51  34.982  -6.020 -13.576
  364    HB2  TRP  51           HB2      TRP  51  35.209  -7.010 -16.394
  365    HB3  TRP  51           HB3      TRP  51  33.864  -5.944 -16.051
  366    HD1  TRP  51           HD1      TRP  51  37.475  -5.856 -16.824
  367    HE1  TRP  51           HE1      TRP  51  38.368  -3.455 -16.710
  368    HE3  TRP  51           HE3      TRP  51  33.458  -3.625 -14.566
  369    HZ2  TRP  51           HZ2      TRP  51  37.407  -0.858 -15.845
  370    HZ3  TRP  51           HZ3      TRP  51  33.477  -1.174 -14.116
  371    HH2  TRP  51           HH2      TRP  51  35.422   0.208 -14.756
  372    H    ILE  52           H        ILE  52  32.920  -5.752 -12.839
  373    HA   ILE  52           HA       ILE  52  30.800  -7.715 -13.647
  374    HB   ILE  52           HB       ILE  52  30.902  -5.954 -11.167
  375   HG12  ILE  52          HG12      ILE  52  32.544  -7.701 -10.871
  376   HG13  ILE  52          HG13      ILE  52  31.138  -8.006  -9.861
  377   HG21  ILE  52          HG21      ILE  52  28.889  -8.063 -12.087
  378   HG22  ILE  52          HG22      ILE  52  28.948  -7.353 -10.460
  379   HG23  ILE  52          HG23      ILE  52  28.601  -6.322 -11.843
  380   HD11  ILE  52          HD11      ILE  52  31.633  -9.374 -12.531
  381   HD12  ILE  52          HD12      ILE  52  32.085 -10.054 -10.976
  382   HD13  ILE  52          HD13      ILE  52  30.368  -9.785 -11.359
  383    H    THR  53           H        THR  53  29.181  -6.959 -14.800
  384    HA   THR  53           HA       THR  53  28.669  -4.014 -14.992
  385    HB   THR  53           HB       THR  53  28.933  -5.953 -17.328
  386    HG1  THR  53           HG1      THR  53  30.781  -4.753 -17.794
  387   HG21  THR  53          HG21      THR  53  28.510  -2.931 -17.280
  388   HG22  THR  53          HG22      THR  53  28.751  -3.923 -18.728
  389   HG23  THR  53          HG23      THR  53  27.280  -4.122 -17.762
  390    H    ILE  54           H        ILE  54  26.616  -3.662 -14.432
  391    HA   ILE  54           HA       ILE  54  24.595  -5.817 -14.863
  392    HB   ILE  54           HB       ILE  54  24.729  -5.376 -12.617
  393   HG12  ILE  54          HG12      ILE  54  22.411  -5.581 -13.463
  394   HG13  ILE  54          HG13      ILE  54  22.605  -4.771 -11.922
  395   HG21  ILE  54          HG21      ILE  54  24.634  -2.414 -13.222
  396   HG22  ILE  54          HG22      ILE  54  24.378  -3.100 -11.597
  397   HG23  ILE  54          HG23      ILE  54  25.921  -3.347 -12.422
  398   HD11  ILE  54          HD11      ILE  54  21.865  -3.451 -14.563
  399   HD12  ILE  54          HD12      ILE  54  20.915  -3.578 -13.100
  400   HD13  ILE  54          HD13      ILE  54  22.341  -2.550 -13.107
  401    H    THR  55           H        THR  55  23.057  -5.632 -16.255
  402    HA   THR  55           HA       THR  55  22.685  -3.036 -17.671
  403    HB   THR  55           HB       THR  55  22.116  -4.457 -19.684
  404    HG1  THR  55           HG1      THR  55  22.575  -6.567 -19.652
  405   HG21  THR  55          HG21      THR  55  24.951  -4.689 -18.559
  406   HG22  THR  55          HG22      THR  55  24.488  -5.071 -20.229
  407   HG23  THR  55          HG23      THR  55  24.323  -3.420 -19.633
  408    H    VAL  56           H        VAL  56  20.647  -2.345 -18.080
  409    HA   VAL  56           HA       VAL  56  18.352  -3.944 -17.004
  410    HB   VAL  56           HB       VAL  56  18.802  -0.968 -17.213
  411   HG11  VAL  56          HG11      VAL  56  16.098  -2.372 -16.943
  412   HG12  VAL  56          HG12      VAL  56  16.402  -0.666 -16.550
  413   HG13  VAL  56          HG13      VAL  56  16.587  -1.221 -18.214
  414   HG21  VAL  56          HG21      VAL  56  19.342  -2.358 -15.143
  415   HG22  VAL  56          HG22      VAL  56  18.135  -1.082 -14.873
  416   HG23  VAL  56          HG23      VAL  56  17.620  -2.765 -15.038
  417    H    ASN  57           H        ASN  57  17.255  -4.940 -18.401
  418    HA   ASN  57           HA       ASN  57  16.587  -5.924 -20.312
  419    HB2  ASN  57           HB2      ASN  57  16.256  -3.087 -21.359
  420    HB3  ASN  57           HB3      ASN  57  15.612  -4.542 -22.102
  421   HD21  ASN  57          HD21      ASN  57  13.515  -2.835 -19.158
  422   HD22  ASN  57          HD22      ASN  57  14.947  -2.092 -19.856
  423    H    GLN  58           H        GLN  58  18.391  -3.245 -21.792
  424    HA   GLN  58           HA       GLN  58  20.457  -5.073 -22.869
  425    HB2  GLN  58           HB2      GLN  58  20.134  -4.231 -25.165
  426    HB3  GLN  58           HB3      GLN  58  18.742  -5.126 -24.565
  427    HG2  GLN  58           HG2      GLN  58  17.479  -3.073 -24.192
  428    HG3  GLN  58           HG3      GLN  58  18.889  -2.079 -24.558
  429   HE21  GLN  58          HE21      GLN  58  16.817  -3.845 -27.664
  430   HE22  GLN  58          HE22      GLN  58  16.623  -4.483 -26.038
  431    H    ASP  59           H        ASP  59  19.989  -2.436 -21.080
  432    HA   ASP  59           HA       ASP  59  22.142  -0.751 -22.327
  433    HB2  ASP  59           HB2      ASP  59  19.695  -0.032 -20.674
  434    HB3  ASP  59           HB3      ASP  59  21.009   1.087 -20.997
  435    H    VAL  60           H        VAL  60  23.973  -0.380 -21.145
  436    HA   VAL  60           HA       VAL  60  24.197  -1.526 -18.457
  437    HB   VAL  60           HB       VAL  60  26.105  -1.670 -19.929
  438   HG11  VAL  60          HG11      VAL  60  26.350   1.364 -19.787
  439   HG12  VAL  60          HG12      VAL  60  27.507   0.240 -20.521
  440   HG13  VAL  60          HG13      VAL  60  25.900   0.427 -21.228
  441   HG21  VAL  60          HG21      VAL  60  26.462  -1.571 -17.464
  442   HG22  VAL  60          HG22      VAL  60  27.841  -0.969 -18.405
  443   HG23  VAL  60          HG23      VAL  60  26.769   0.180 -17.601
  444    H    ILE  61           H        ILE  61  24.183  -0.588 -16.534
  445    HA   ILE  61           HA       ILE  61  23.850   2.392 -16.382
  446    HB   ILE  61           HB       ILE  61  22.341   1.912 -14.407
  447   HG12  ILE  61          HG12      ILE  61  21.690  -0.707 -15.767
  448   HG13  ILE  61          HG13      ILE  61  22.814  -0.614 -14.400
  449   HG21  ILE  61          HG21      ILE  61  21.259   1.257 -17.170
  450   HG22  ILE  61          HG22      ILE  61  20.358   1.970 -15.807
  451   HG23  ILE  61          HG23      ILE  61  21.646   2.891 -16.581
  452   HD11  ILE  61          HD11      ILE  61  19.940   0.401 -14.316
  453   HD12  ILE  61          HD12      ILE  61  20.505  -1.136 -13.674
  454   HD13  ILE  61          HD13      ILE  61  21.110   0.376 -12.980
  455    H    PHE  62           H        PHE  62  25.277  -0.491 -14.906
  456    HA   PHE  62           HA       PHE  62  27.077   1.299 -13.477
  457    HB2  PHE  62           HB2      PHE  62  25.421   1.178 -11.784
  458    HB3  PHE  62           HB3      PHE  62  25.168  -0.539 -11.998
  459    HD1  PHE  62           HD1      PHE  62  27.749   2.005 -10.996
  460    HD2  PHE  62           HD2      PHE  62  26.421  -2.080 -10.571
  461    HE1  PHE  62           HE1      PHE  62  29.552   1.580  -9.347
  462    HE2  PHE  62           HE2      PHE  62  28.264  -2.503  -8.944
  463    HZ   PHE  62           HZ       PHE  62  29.804  -0.669  -8.324
  464    H    GLN  63           H        GLN  63  29.021   0.382 -12.963
  465    HA   GLN  63           HA       GLN  63  29.479  -2.440 -13.229
  466    HB2  GLN  63           HB2      GLN  63  31.139  -2.347 -15.053
  467    HB3  GLN  63           HB3      GLN  63  29.512  -1.941 -15.586
  468    HG2  GLN  63           HG2      GLN  63  30.112   0.487 -15.535
  469    HG3  GLN  63           HG3      GLN  63  31.771   0.043 -15.117
  470   HE21  GLN  63          HE21      GLN  63  32.335  -1.448 -18.441
  471   HE22  GLN  63          HE22      GLN  63  32.587  -1.897 -16.766
  472    H    THR  64           H        THR  64  31.449  -3.147 -12.388
  473    HA   THR  64           HA       THR  64  33.421  -1.246 -11.318
  474    HB   THR  64           HB       THR  64  31.583  -1.125  -9.684
  475    HG1  THR  64           HG1      THR  64  32.927  -1.393  -7.932
  476   HG21  THR  64          HG21      THR  64  32.172  -4.051  -9.038
  477   HG22  THR  64          HG22      THR  64  31.003  -2.976  -8.240
  478   HG23  THR  64          HG23      THR  64  30.722  -3.493  -9.903
  479    H    PHE  65           H        PHE  65  35.162  -2.436 -10.076
  480    HA   PHE  65           HA       PHE  65  35.684  -5.053 -11.403
  481    HB2  PHE  65           HB2      PHE  65  37.255  -2.864 -11.426
  482    HB3  PHE  65           HB3      PHE  65  37.863  -3.617  -9.961
  483    HD1  PHE  65           HD1      PHE  65  38.428  -6.215 -10.180
  484    HD2  PHE  65           HD2      PHE  65  38.101  -3.501 -13.508
  485    HE1  PHE  65           HE1      PHE  65  39.566  -7.854 -11.628
  486    HE2  PHE  65           HE2      PHE  65  39.345  -5.111 -14.933
  487    HZ   PHE  65           HZ       PHE  65  40.021  -7.310 -14.030
  488    H    LEU  66           H        LEU  66  35.725  -6.890 -10.262
  489    HA   LEU  66           HA       LEU  66  35.686  -6.821  -7.283
  490    HB2  LEU  66           HB2      LEU  66  34.638  -8.763  -9.327
  491    HB3  LEU  66           HB3      LEU  66  35.100  -9.335  -7.733
  492    HG   LEU  66           HG       LEU  66  32.937  -7.292  -8.264
  493   HD11  LEU  66          HD11      LEU  66  32.837 -10.148  -7.164
  494   HD12  LEU  66          HD12      LEU  66  31.481  -9.100  -7.621
  495   HD13  LEU  66          HD13      LEU  66  32.559  -9.754  -8.858
  496   HD21  LEU  66          HD21      LEU  66  33.910  -6.832  -6.050
  497   HD22  LEU  66          HD22      LEU  66  32.389  -7.714  -5.834
  498   HD23  LEU  66          HD23      LEU  66  33.939  -8.563  -5.667
  499    H    PHE  67           H        PHE  67  37.135  -7.884  -6.107
  500    HA   PHE  67           HA       PHE  67  39.469  -9.177  -7.481
  501    HB2  PHE  67           HB2      PHE  67  39.451  -7.516  -4.949
  502    HB3  PHE  67           HB3      PHE  67  40.856  -8.289  -5.666
  503    HD1  PHE  67           HD1      PHE  67  42.089  -7.211  -7.443
  504    HD2  PHE  67           HD2      PHE  67  38.337  -5.567  -6.091
  505    HE1  PHE  67           HE1      PHE  67  42.561  -5.102  -8.669
  506    HE2  PHE  67           HE2      PHE  67  38.786  -3.489  -7.363
  507    HZ   PHE  67           HZ       PHE  67  40.900  -3.252  -8.658
  508    HA   PRO  68           HA       PRO  68  38.228 -12.621  -4.905
  509    HB2  PRO  68           HB2      PRO  68  40.120 -14.447  -5.587
  510    HB3  PRO  68           HB3      PRO  68  38.891 -13.861  -6.752
  511    HG2  PRO  68           HG2      PRO  68  41.736 -12.829  -6.393
  512    HG3  PRO  68           HG3      PRO  68  40.940 -13.354  -7.919
  513    HD2  PRO  68           HD2      PRO  68  41.069 -10.764  -7.186
  514    HD3  PRO  68           HD3      PRO  68  39.616 -11.440  -7.994
  515    H    LEU  69           H        LEU  69  41.554 -11.348  -4.663
  516    HA   LEU  69           HA       LEU  69  42.149 -12.744  -2.174
  517    HB2  LEU  69           HB2      LEU  69  43.801 -12.270  -3.968
  518    HB3  LEU  69           HB3      LEU  69  43.605 -10.539  -3.689
  519    HG   LEU  69           HG       LEU  69  44.567 -10.786  -1.413
  520   HD11  LEU  69          HD11      LEU  69  44.966 -13.707  -2.214
  521   HD12  LEU  69          HD12      LEU  69  45.707 -12.917  -0.805
  522   HD13  LEU  69          HD13      LEU  69  43.956 -13.110  -0.876
  523   HD21  LEU  69          HD21      LEU  69  46.016 -10.287  -3.340
  524   HD22  LEU  69          HD22      LEU  69  46.865 -11.255  -2.125
  525   HD23  LEU  69          HD23      LEU  69  46.267 -12.025  -3.613
  526    H    LYS  70           H        LYS  70  40.764  -9.675  -3.007
  527    HA   LYS  70           HA       LYS  70  41.286  -8.403  -0.381
  528    HB2  LYS  70           HB2      LYS  70  39.644  -7.383  -2.726
  529    HB3  LYS  70           HB3      LYS  70  40.133  -6.457  -1.307
  530    HG2  LYS  70           HG2      LYS  70  42.538  -6.782  -1.955
  531    HG3  LYS  70           HG3      LYS  70  41.995  -7.585  -3.441
  532    HD2  LYS  70           HD2      LYS  70  40.686  -5.497  -4.017
  533    HD3  LYS  70           HD3      LYS  70  41.409  -4.709  -2.603
  534    HE2  LYS  70           HE2      LYS  70  43.676  -5.100  -3.533
  535    HE3  LYS  70           HE3      LYS  70  42.976  -5.923  -4.933
  536    HZ1  LYS  70           HZ1      LYS  70  42.517  -3.059  -4.236
  537    HZ2  LYS  70           HZ2      LYS  70  43.484  -3.593  -5.435
  538    HZ3  LYS  70           HZ3      LYS  70  41.869  -3.820  -5.536
  539    H    ARG  71           H        ARG  71  39.517  -7.430   0.837
  540    HA   ARG  71           HA       ARG  71  37.279  -9.370   1.218
  541    HB2  ARG  71           HB2      ARG  71  38.485  -7.320   3.115
  542    HB3  ARG  71           HB3      ARG  71  37.157  -8.424   3.502
  543    HG2  ARG  71           HG2      ARG  71  38.639 -10.372   2.997
  544    HG3  ARG  71           HG3      ARG  71  39.989  -9.255   2.737
  545    HD2  ARG  71           HD2      ARG  71  39.748  -8.414   5.052
  546    HD3  ARG  71           HD3      ARG  71  38.417  -9.530   5.340
  547    HE   ARG  71           HE       ARG  71  41.295 -10.137   5.183
  548   HH11  ARG  71          HH11      ARG  71  38.113 -11.629   5.206
  549   HH12  ARG  71          HH12      ARG  71  38.754 -13.185   5.653
  550   HH21  ARG  71          HH21      ARG  71  42.031 -12.145   5.752
  551   HH22  ARG  71          HH22      ARG  71  40.917 -13.463   5.955
  552    H    ASP  72           H        ASP  72  37.413  -6.745  -0.611
  553    HA   ASP  72           HA       ASP  72  35.196  -5.193   0.401
  554    HB2  ASP  72           HB2      ASP  72  35.326  -3.906  -1.552
  555    HB3  ASP  72           HB3      ASP  72  36.966  -4.286  -1.091
  556    H    PHE  73           H        PHE  73  35.193  -8.177  -1.383
  557    HA   PHE  73           HA       PHE  73  33.244  -7.924  -3.250
  558    HB2  PHE  73           HB2      PHE  73  34.427  -9.955  -3.029
  559    HB3  PHE  73           HB3      PHE  73  33.855 -10.250  -1.395
  560    HD1  PHE  73           HD1      PHE  73  33.137 -10.663  -4.941
  561    HD2  PHE  73           HD2      PHE  73  31.472 -10.966  -0.971
  562    HE1  PHE  73           HE1      PHE  73  31.217 -11.956  -5.843
  563    HE2  PHE  73           HE2      PHE  73  29.551 -12.239  -1.877
  564    HZ   PHE  73           HZ       PHE  73  29.401 -12.703  -4.293
  565    H    GLU  74           H        GLU  74  32.405  -8.656   0.184
  566    HA   GLU  74           HA       GLU  74  29.581  -8.726  -0.240
  567    HB2  GLU  74           HB2      GLU  74  31.010  -9.481   1.783
  568    HB3  GLU  74           HB3      GLU  74  30.923  -7.798   2.320
  569    HG2  GLU  74           HG2      GLU  74  28.420  -7.953   2.269
  570    HG3  GLU  74           HG3      GLU  74  28.557  -9.636   1.743
  571    H    LYS  75           H        LYS  75  31.746  -6.064   0.565
  572    HA   LYS  75           HA       LYS  75  29.705  -4.042   1.006
  573    HB2  LYS  75           HB2      LYS  75  32.703  -3.704   0.384
  574    HB3  LYS  75           HB3      LYS  75  31.581  -2.453   0.916
  575    HG2  LYS  75           HG2      LYS  75  32.396  -2.957   2.960
  576    HG3  LYS  75           HG3      LYS  75  31.115  -4.167   2.914
  577    HD2  LYS  75           HD2      LYS  75  33.035  -5.700   1.855
  578    HD3  LYS  75           HD3      LYS  75  34.117  -4.509   2.562
  579    HE2  LYS  75           HE2      LYS  75  31.947  -6.063   4.049
  580    HE3  LYS  75           HE3      LYS  75  33.645  -6.546   3.975
  581    HZ1  LYS  75           HZ1      LYS  75  32.654  -4.018   5.221
  582    HZ2  LYS  75           HZ2      LYS  75  33.200  -5.325   6.024
  583    HZ3  LYS  75           HZ3      LYS  75  34.230  -4.452   5.115
  584    H    THR  76           H        THR  76  31.802  -4.864  -1.750
  585    HA   THR  76           HA       THR  76  30.732  -3.020  -3.640
  586    HB   THR  76           HB       THR  76  32.158  -5.686  -3.943
  587    HG1  THR  76           HG1      THR  76  33.873  -4.450  -3.939
  588   HG21  THR  76          HG21      THR  76  31.381  -3.646  -6.074
  589   HG22  THR  76          HG22      THR  76  32.688  -4.848  -6.277
  590   HG23  THR  76          HG23      THR  76  31.015  -5.383  -6.058
  591    H    VAL  77           H        VAL  77  29.618  -6.357  -2.829
  592    HA   VAL  77           HA       VAL  77  27.496  -6.436  -4.783
  593    HB   VAL  77           HB       VAL  77  27.861  -7.840  -2.116
  594   HG11  VAL  77          HG11      VAL  77  25.589  -8.183  -4.117
  595   HG12  VAL  77          HG12      VAL  77  25.958  -9.303  -2.787
  596   HG13  VAL  77          HG13      VAL  77  25.427  -7.674  -2.418
  597   HG21  VAL  77          HG21      VAL  77  29.277  -8.502  -4.141
  598   HG22  VAL  77          HG22      VAL  77  28.285  -9.787  -3.453
  599   HG23  VAL  77          HG23      VAL  77  27.762  -8.970  -4.941
  600    H    VAL  78           H        VAL  78  27.398  -5.432  -1.300
  601    HA   VAL  78           HA       VAL  78  24.637  -4.673  -1.376
  602    HB   VAL  78           HB       VAL  78  26.905  -3.815   0.457
  603   HG11  VAL  78          HG11      VAL  78  23.906  -3.323   0.774
  604   HG12  VAL  78          HG12      VAL  78  25.118  -3.121   2.057
  605   HG13  VAL  78          HG13      VAL  78  25.173  -2.082   0.637
  606   HG21  VAL  78          HG21      VAL  78  26.248  -6.236   0.512
  607   HG22  VAL  78          HG22      VAL  78  25.870  -5.398   2.019
  608   HG23  VAL  78          HG23      VAL  78  24.574  -5.754   0.852
  609    H    ALA  79           H        ALA  79  27.586  -2.797  -2.059
  610    HA   ALA  79           HA       ALA  79  26.246  -0.263  -2.350
  611    HB1  ALA  79           HB1      ALA  79  28.912  -1.295  -3.406
  612    HB2  ALA  79           HB2      ALA  79  28.433   0.420  -3.257
  613    HB3  ALA  79           HB3      ALA  79  28.635  -0.578  -1.803
  614    H    ALA  80           H        ALA  80  26.926  -2.929  -4.679
  615    HA   ALA  80           HA       ALA  80  26.202  -1.447  -7.030
  616    HB1  ALA  80           HB1      ALA  80  25.999  -4.442  -6.458
  617    HB2  ALA  80           HB2      ALA  80  26.024  -3.661  -8.054
  618    HB3  ALA  80           HB3      ALA  80  27.463  -3.601  -7.012
  619    H    LEU  81           H        LEU  81  24.228  -2.943  -4.511
  620    HA   LEU  81           HA       LEU  81  21.756  -3.142  -5.991
  621    HB2  LEU  81           HB2      LEU  81  22.003  -2.511  -3.025
  622    HB3  LEU  81           HB3      LEU  81  20.661  -3.277  -3.846
  623    HG   LEU  81           HG       LEU  81  23.402  -4.516  -3.483
  624   HD11  LEU  81          HD11      LEU  81  20.844  -5.029  -1.949
  625   HD12  LEU  81          HD12      LEU  81  22.399  -5.881  -1.754
  626   HD13  LEU  81          HD13      LEU  81  22.270  -4.164  -1.338
  627   HD21  LEU  81          HD21      LEU  81  22.148  -5.484  -5.397
  628   HD22  LEU  81          HD22      LEU  81  22.345  -6.640  -4.070
  629   HD23  LEU  81          HD23      LEU  81  20.790  -5.831  -4.298
  630    H    ILE  82           H        ILE  82  23.085  -0.599  -3.880
  631    HA   ILE  82           HA       ILE  82  20.995   1.338  -4.332
  632    HB   ILE  82           HB       ILE  82  23.856   1.733  -3.354
  633   HG12  ILE  82          HG12      ILE  82  21.275   1.381  -1.752
  634   HG13  ILE  82          HG13      ILE  82  22.492   0.127  -1.970
  635   HG21  ILE  82          HG21      ILE  82  21.409   3.552  -3.104
  636   HG22  ILE  82          HG22      ILE  82  23.004   3.856  -2.384
  637   HG23  ILE  82          HG23      ILE  82  22.829   3.862  -4.126
  638   HD11  ILE  82          HD11      ILE  82  22.872   2.724  -0.452
  639   HD12  ILE  82          HD12      ILE  82  22.838   1.074   0.181
  640   HD13  ILE  82          HD13      ILE  82  24.188   1.589  -0.850
  641    H    GLN  83           H        GLN  83  24.277   0.954  -5.768
  642    HA   GLN  83           HA       GLN  83  24.050   3.271  -7.437
  643    HB2  GLN  83           HB2      GLN  83  25.830   0.802  -7.601
  644    HB3  GLN  83           HB3      GLN  83  26.019   2.213  -8.651
  645    HG2  GLN  83           HG2      GLN  83  26.428   3.679  -6.792
  646    HG3  GLN  83           HG3      GLN  83  26.065   2.433  -5.606
  647   HE21  GLN  83          HE21      GLN  83  29.192   0.701  -6.044
  648   HE22  GLN  83          HE22      GLN  83  27.470   0.418  -5.720
  649    H    THR  84           H        THR  84  22.912  -0.025  -7.955
  650    HA   THR  84           HA       THR  84  22.295   0.210 -10.766
  651    HB   THR  84           HB       THR  84  21.016  -1.463  -8.573
  652    HG1  THR  84           HG1      THR  84  23.096  -2.075  -8.945
  653   HG21  THR  84          HG21      THR  84  20.798  -1.747 -11.577
  654   HG22  THR  84          HG22      THR  84  20.209  -2.891 -10.359
  655   HG23  THR  84          HG23      THR  84  19.462  -1.291 -10.504
  656    H    GLU  85           H        GLU  85  20.312   0.979  -7.786
  657    HA   GLU  85           HA       GLU  85  18.147   1.910  -9.528
  658    HB2  GLU  85           HB2      GLU  85  16.961   2.535  -7.603
  659    HB3  GLU  85           HB3      GLU  85  17.616   0.921  -7.357
  660    HG2  GLU  85           HG2      GLU  85  19.182   1.664  -5.758
  661    HG3  GLU  85           HG3      GLU  85  19.032   3.359  -6.227
  662    H    GLU  86           H        GLU  86  20.883   3.510  -7.887
  663    HA   GLU  86           HA       GLU  86  19.992   6.173  -8.156
  664    HB2  GLU  86           HB2      GLU  86  22.748   4.941  -8.151
  665    HB3  GLU  86           HB3      GLU  86  22.518   6.687  -8.258
  666    HG2  GLU  86           HG2      GLU  86  21.097   5.142  -6.089
  667    HG3  GLU  86           HG3      GLU  86  22.807   5.537  -5.910
  668    H    ALA  87           H        ALA  87  21.377   4.107 -10.688
  669    HA   ALA  87           HA       ALA  87  21.621   6.131 -12.721
  670    HB1  ALA  87           HB1      ALA  87  20.959   3.147 -12.951
  671    HB2  ALA  87           HB2      ALA  87  21.557   4.195 -14.250
  672    HB3  ALA  87           HB3      ALA  87  22.598   3.840 -12.853
  673    H    LEU  88           H        LEU  88  18.887   4.106 -11.632
  674    HA   LEU  88           HA       LEU  88  17.130   4.996 -13.815
  675    HB2  LEU  88           HB2      LEU  88  16.553   3.224 -11.427
  676    HB3  LEU  88           HB3      LEU  88  15.561   3.382 -12.873
  677    HG   LEU  88           HG       LEU  88  18.332   2.111 -12.664
  678   HD11  LEU  88          HD11      LEU  88  15.609   0.948 -13.313
  679   HD12  LEU  88          HD12      LEU  88  17.146   0.061 -13.158
  680   HD13  LEU  88          HD13      LEU  88  16.432   0.837 -11.736
  681   HD21  LEU  88          HD21      LEU  88  18.224   3.101 -14.846
  682   HD22  LEU  88          HD22      LEU  88  17.888   1.379 -15.033
  683   HD23  LEU  88          HD23      LEU  88  16.539   2.532 -15.086
  684    H    ASN  89           H        ASN  89  17.755   5.850 -10.523
  685    HA   ASN  89           HA       ASN  89  15.343   7.115  -9.819
  686    HB2  ASN  89           HB2      ASN  89  18.183   7.106  -8.880
  687    HB3  ASN  89           HB3      ASN  89  17.282   8.493  -8.385
  688   HD21  ASN  89          HD21      ASN  89  16.683   5.081  -6.443
  689   HD22  ASN  89          HD22      ASN  89  17.762   5.211  -7.835
  690    H    ARG  90           H        ARG  90  17.960   8.333 -11.821
  691    HA   ARG  90           HA       ARG  90  16.601  10.987 -12.123
  692    HB2  ARG  90           HB2      ARG  90  19.216   9.855 -13.203
  693    HB3  ARG  90           HB3      ARG  90  18.652  11.508 -13.455
  694    HG2  ARG  90           HG2      ARG  90  19.411  10.232 -10.788
  695    HG3  ARG  90           HG3      ARG  90  20.370  11.388 -11.699
  696    HD2  ARG  90           HD2      ARG  90  17.669  11.945 -10.404
  697    HD3  ARG  90           HD3      ARG  90  19.253  12.438  -9.792
  698    HE   ARG  90           HE       ARG  90  19.108  13.474 -12.392
  699   HH11  ARG  90          HH11      ARG  90  17.432  14.036  -9.365
  700   HH12  ARG  90          HH12      ARG  90  17.033  15.678  -9.787
  701   HH21  ARG  90          HH21      ARG  90  18.550  15.565 -12.876
  702   HH22  ARG  90          HH22      ARG  90  17.664  16.520 -11.726
  703    H    ARG  91           H        ARG  91  16.487   7.972 -13.657
  704    HA   ARG  91           HA       ARG  91  15.804   9.011 -16.375
  705    HB2  ARG  91           HB2      ARG  91  15.834   6.219 -15.166
  706    HB3  ARG  91           HB3      ARG  91  15.369   6.568 -16.835
  707    HG2  ARG  91           HG2      ARG  91  17.573   7.340 -17.401
  708    HG3  ARG  91           HG3      ARG  91  18.094   7.316 -15.717
  709    HD2  ARG  91           HD2      ARG  91  18.727   5.159 -15.905
  710    HD3  ARG  91           HD3      ARG  91  17.093   4.680 -16.267
  711    HE   ARG  91           HE       ARG  91  19.301   5.311 -18.181
  712   HH11  ARG  91          HH11      ARG  91  15.959   4.198 -17.965
  713   HH12  ARG  91          HH12      ARG  91  15.962   3.670 -19.620
  714   HH21  ARG  91          HH21      ARG  91  19.199   4.615 -20.260
  715   HH22  ARG  91          HH22      ARG  91  17.745   3.894 -20.877
  716    H    GLN  92           H        GLN  92  14.216   7.204 -13.771
  717    HA   GLN  92           HA       GLN  92  11.543   8.222 -14.661
  718    HB2  GLN  92           HB2      GLN  92  10.697   5.879 -14.492
  719    HB3  GLN  92           HB3      GLN  92  11.736   6.220 -15.876
  720    HG2  GLN  92           HG2      GLN  92  13.611   5.036 -14.861
  721    HG3  GLN  92           HG3      GLN  92  12.734   4.821 -13.348
  722   HE21  GLN  92          HE21      GLN  92  10.616   2.203 -14.715
  723   HE22  GLN  92          HE22      GLN  92  10.614   3.483 -13.513
  724    H    ILE  93           H        ILE  93  13.261   6.620 -11.943
  725    HA   ILE  93           HA       ILE  93  10.834   6.298 -10.467
  726    HB   ILE  93           HB       ILE  93  13.521   6.480  -9.095
  727   HG12  ILE  93          HG12      ILE  93  12.342   4.116 -10.627
  728   HG13  ILE  93          HG13      ILE  93  13.814   4.988 -11.045
  729   HG21  ILE  93          HG21      ILE  93  11.023   4.841  -8.522
  730   HG22  ILE  93          HG22      ILE  93  12.501   4.889  -7.531
  731   HG23  ILE  93          HG23      ILE  93  11.502   6.317  -7.656
  732   HD11  ILE  93          HD11      ILE  93  13.454   3.178  -8.641
  733   HD12  ILE  93          HD12      ILE  93  14.461   2.919 -10.066
  734   HD13  ILE  93          HD13      ILE  93  14.879   4.213  -8.926
  735    H    ASN  94           H        ASN  94  12.732   9.137 -10.908
  736    HA   ASN  94           HA       ASN  94  11.902  10.804  -8.792
  737    HB2  ASN  94           HB2      ASN  94  11.984  12.683 -10.453
  738    HB3  ASN  94           HB3      ASN  94  13.438  11.750 -10.150
  739   HD21  ASN  94          HD21      ASN  94  13.756  10.558 -13.381
  740   HD22  ASN  94          HD22      ASN  94  14.329  10.487 -11.718
  741    H    GLN  95           H        GLN  95  10.032   9.796 -11.649
  742    HA   GLN  95           HA       GLN  95   7.770  11.504 -11.282
  743    HB2  GLN  95           HB2      GLN  95   7.910   8.714 -12.508
  744    HB3  GLN  95           HB3      GLN  95   6.605   9.883 -12.734
  745    HG2  GLN  95           HG2      GLN  95   8.145  11.440 -13.867
  746    HG3  GLN  95           HG3      GLN  95   9.498  10.349 -13.584
  747   HE21  GLN  95          HE21      GLN  95   8.790   9.466 -16.977
  748   HE22  GLN  95          HE22      GLN  95   9.799  10.475 -15.956
  749    H    ALA  96           H        ALA  96   8.594   8.392  -9.773
  750    HA   ALA  96           HA       ALA  96   5.968   8.106  -8.475
  751    HB1  ALA  96           HB1      ALA  96   8.537   6.478  -8.250
  752    HB2  ALA  96           HB2      ALA  96   6.952   6.043  -7.579
  753    HB3  ALA  96           HB3      ALA  96   7.168   6.142  -9.337
  754    H    LEU  97           H        LEU  97   9.367   8.753  -7.414
  755    HA   LEU  97           HA       LEU  97   8.650   8.989  -4.641
  756    HB2  LEU  97           HB2      LEU  97  10.927   9.729  -4.292
  757    HB3  LEU  97           HB3      LEU  97  10.820   8.325  -5.346
  758    HG   LEU  97           HG       LEU  97  10.965  10.113  -7.245
  759   HD11  LEU  97          HD11      LEU  97  12.415  11.546  -4.984
  760   HD12  LEU  97          HD12      LEU  97  12.532  11.981  -6.700
  761   HD13  LEU  97          HD13      LEU  97  10.996  12.156  -5.854
  762   HD21  LEU  97          HD21      LEU  97  12.633   8.325  -6.855
  763   HD22  LEU  97          HD22      LEU  97  13.459   9.833  -7.272
  764   HD23  LEU  97          HD23      LEU  97  13.387   9.298  -5.581
  765    H    LEU  98           H        LEU  98   8.617  11.352  -7.164
  766    HA   LEU  98           HA       LEU  98   8.324  13.717  -5.545
  767    HB2  LEU  98           HB2      LEU  98   9.048  13.710  -7.880
  768    HB3  LEU  98           HB3      LEU  98   7.494  13.042  -8.393
  769    HG   LEU  98           HG       LEU  98   6.368  15.138  -7.793
  770   HD11  LEU  98          HD11      LEU  98   9.171  16.150  -7.113
  771   HD12  LEU  98          HD12      LEU  98   7.717  17.162  -7.261
  772   HD13  LEU  98          HD13      LEU  98   7.825  15.964  -5.967
  773   HD21  LEU  98          HD21      LEU  98   7.255  14.822 -10.053
  774   HD22  LEU  98          HD22      LEU  98   7.346  16.522  -9.564
  775   HD23  LEU  98          HD23      LEU  98   8.813  15.520  -9.555
  776    H    SER  99           H        SER  99   6.098  11.126  -6.009
  777    HA   SER  99           HA       SER  99   3.865  10.858  -5.749
  778    HB2  SER  99           HB2      SER  99   4.329  12.865  -3.522
  779    HB3  SER  99           HB3      SER  99   2.967  11.735  -3.642
  780    HG   SER  99           HG       SER  99   4.663  10.915  -2.309
  781    H    THR 100           H        THR 100   4.085  12.368  -7.915
  782    HA   THR 100           HA       THR 100   3.107  13.840  -9.323
  783    HB   THR 100           HB       THR 100   0.547  13.530  -7.771
  784    HG1  THR 100           HG1      THR 100   0.334  11.499  -8.700
  785   HG21  THR 100          HG21      THR 100   1.210  13.423 -10.762
  786   HG22  THR 100          HG22      THR 100  -0.412  13.265 -10.048
  787   HG23  THR 100          HG23      THR 100   0.452  14.798  -9.938
  788    H    GLY 101           H        GLY 101   4.472  15.174  -7.190
  789    HA2  GLY 101           HA2      GLY 101   3.158  17.605  -6.446
  790    HA3  GLY 101           HA3      GLY 101   4.901  17.334  -6.560
  791    H    ASP 102           H        ASP 102   4.258  16.587  -9.537
  792    HA   ASP 102           HA       ASP 102   3.636  19.236 -10.727
  793    HB2  ASP 102           HB2      ASP 102   6.036  17.483 -11.379
  794    HB3  ASP 102           HB3      ASP 102   5.388  18.658 -12.510
  795    H    LEU 103           H        LEU 103   3.137  18.996 -13.100
  796    HA   LEU 103           HA       LEU 103   1.085  17.068 -13.471
  797    HB2  LEU 103           HB2      LEU 103   0.582  18.128 -15.411
  798    HB3  LEU 103           HB3      LEU 103   1.386  19.416 -14.543
  799    HG   LEU 103           HG       LEU 103   2.628  17.680 -16.741
  800   HD11  LEU 103          HD11      LEU 103   1.660  20.566 -16.799
  801   HD12  LEU 103          HD12      LEU 103   2.458  19.697 -18.129
  802   HD13  LEU 103          HD13      LEU 103   0.861  19.178 -17.570
  803   HD21  LEU 103          HD21      LEU 103   4.361  18.546 -15.203
  804   HD22  LEU 103          HD22      LEU 103   4.439  19.367 -16.763
  805   HD23  LEU 103          HD23      LEU 103   3.702  20.189 -15.368
  806    H    ALA 104           H        ALA 104   0.841  15.443 -15.040
  807    HA   ALA 104           HA       ALA 104   3.183  14.240 -16.317
  808    HB1  ALA 104           HB1      ALA 104   1.697  12.748 -14.099
  809    HB2  ALA 104           HB2      ALA 104   3.018  12.091 -15.095
  810    HB3  ALA 104           HB3      ALA 104   3.338  13.418 -13.968
  811    H    HIS 105           H        HIS 105   0.524  15.326 -17.071
  812    HA   HIS 105           HA       HIS 105  -1.364  13.236 -17.387
  813    HB2  HIS 105           HB2      HIS 105  -1.269  16.038 -18.570
  814    HB3  HIS 105           HB3      HIS 105  -2.682  14.990 -18.557
  815    HD2  HIS 105           HD2      HIS 105  -4.338  15.752 -16.773
  816    HE1  HIS 105           HE1      HIS 105  -1.670  16.967 -13.674
  817    HE2  HIS 105           HE2      HIS 105  -4.117  16.728 -14.334
  818    H    ASP 106           H        ASP 106   0.882  14.602 -19.761
  819    HA   ASP 106           HA       ASP 106   0.247  12.361 -21.601
  820    HB2  ASP 106           HB2      ASP 106  -1.075  14.427 -22.226
  821    HB3  ASP 106           HB3      ASP 106   0.455  15.255 -22.511
  822    H    GLU 107           H        GLU 107   2.478  12.942 -19.742
  823    HA   GLU 107           HA       GLU 107   4.750  13.814 -21.375
  824    HB2  GLU 107           HB2      GLU 107   4.608  12.756 -18.527
  825    HB3  GLU 107           HB3      GLU 107   6.032  13.452 -19.292
  826    HG2  GLU 107           HG2      GLU 107   3.420  14.898 -18.684
  827    HG3  GLU 107           HG3      GLU 107   4.942  15.075 -17.827
  828    H    PHE 108           H        PHE 108   3.552  10.722 -20.145
  829    HA   PHE 108           HA       PHE 108   5.462   9.183 -21.797
  830    HB2  PHE 108           HB2      PHE 108   5.139   8.928 -18.785
  831    HB3  PHE 108           HB3      PHE 108   5.715   7.611 -19.788
  832    HD1  PHE 108           HD1      PHE 108   7.932   7.573 -20.737
  833    HD2  PHE 108           HD2      PHE 108   6.551  11.010 -18.536
  834    HE1  PHE 108           HE1      PHE 108  10.255   8.452 -20.653
  835    HE2  PHE 108           HE2      PHE 108   8.866  11.916 -18.497
  836    HZ   PHE 108           HZ       PHE 108  10.723  10.630 -19.545
  Start of MODEL   16
    1    H1   ALA   1           H1       ALA   1   2.279  -1.417  -3.139
    2    H2   ALA   1           H2       ALA   1   2.450   0.208  -3.140
    3    H3   ALA   1           H3       ALA   1   3.198  -0.692  -4.290
    4    HA   ALA   1           HA       ALA   1   0.264  -0.439  -3.970
    5    HB1  ALA   1           HB1      ALA   1   2.064   0.937  -6.018
    6    HB2  ALA   1           HB2      ALA   1   0.287   0.971  -5.994
    7    HB3  ALA   1           HB3      ALA   1   1.201   1.712  -4.673
    8    H    VAL   2           H        VAL   2  -0.054  -2.699  -4.142
    9    HA   VAL   2           HA       VAL   2  -0.318  -4.719  -5.097
   10    HB   VAL   2           HB       VAL   2  -0.713  -3.285  -7.737
   11   HG11  VAL   2          HG11      VAL   2  -2.043  -5.738  -6.475
   12   HG12  VAL   2          HG12      VAL   2  -2.426  -5.040  -8.063
   13   HG13  VAL   2          HG13      VAL   2  -0.853  -5.787  -7.791
   14   HG21  VAL   2          HG21      VAL   2  -1.994  -2.024  -6.073
   15   HG22  VAL   2          HG22      VAL   2  -3.088  -3.017  -7.032
   16   HG23  VAL   2          HG23      VAL   2  -2.645  -3.533  -5.389
   17    H    GLU   3           H        GLU   3   2.040  -4.866  -4.527
   18    HA   GLU   3           HA       GLU   3   3.687  -5.685  -6.903
   19    HB2  GLU   3           HB2      GLU   3   4.479  -4.331  -4.312
   20    HB3  GLU   3           HB3      GLU   3   5.647  -5.142  -5.363
   21    HG2  GLU   3           HG2      GLU   3   5.340  -3.618  -7.135
   22    HG3  GLU   3           HG3      GLU   3   3.807  -3.027  -6.510
   23    H    VAL   4           H        VAL   4   4.090  -7.770  -7.014
   24    HA   VAL   4           HA       VAL   4   4.268  -9.440  -4.545
   25    HB   VAL   4           HB       VAL   4   2.907 -10.555  -6.965
   26   HG11  VAL   4          HG11      VAL   4   2.480 -10.982  -3.964
   27   HG12  VAL   4          HG12      VAL   4   1.718 -11.914  -5.271
   28   HG13  VAL   4          HG13      VAL   4   3.457 -12.033  -5.004
   29   HG21  VAL   4          HG21      VAL   4   1.557  -8.548  -6.636
   30   HG22  VAL   4          HG22      VAL   4   0.668  -9.960  -6.074
   31   HG23  VAL   4          HG23      VAL   4   1.438  -8.882  -4.890
   32    H    GLU   5           H        GLU   5   6.298  -8.331  -6.315
   33    HA   GLU   5           HA       GLU   5   8.236  -8.830  -7.392
   34    HB2  GLU   5           HB2      GLU   5   8.051 -11.466  -5.894
   35    HB3  GLU   5           HB3      GLU   5   9.498 -10.757  -6.618
   36    HG2  GLU   5           HG2      GLU   5   9.344  -8.821  -5.096
   37    HG3  GLU   5           HG3      GLU   5   7.899  -9.508  -4.348
   38    H    VAL   6           H        VAL   6   6.007  -9.149  -8.955
   39    HA   VAL   6           HA       VAL   6   5.981 -11.634 -10.360
   40    HB   VAL   6           HB       VAL   6   4.730  -8.982 -11.112
   41   HG11  VAL   6          HG11      VAL   6   4.254 -11.763 -12.276
   42   HG12  VAL   6          HG12      VAL   6   3.244 -10.332 -12.581
   43   HG13  VAL   6          HG13      VAL   6   4.914 -10.356 -13.146
   44   HG21  VAL   6          HG21      VAL   6   3.851  -9.907  -9.018
   45   HG22  VAL   6          HG22      VAL   6   2.654 -10.069 -10.301
   46   HG23  VAL   6          HG23      VAL   6   3.600 -11.486  -9.793
   47    HA   PRO   7           HA       PRO   7   8.449  -9.769 -13.929
   48    HB2  PRO   7           HB2      PRO   7   9.563  -7.325 -13.981
   49    HB3  PRO   7           HB3      PRO   7   7.810  -7.531 -14.236
   50    HG2  PRO   7           HG2      PRO   7   9.216  -6.866 -11.629
   51    HG3  PRO   7           HG3      PRO   7   7.851  -5.980 -12.389
   52    HD2  PRO   7           HD2      PRO   7   7.450  -7.854 -10.459
   53    HD3  PRO   7           HD3      PRO   7   6.319  -7.680 -11.839
   54    H    GLY   8           H        GLY   8  10.715  -9.499 -14.504
   55    HA2  GLY   8           HA2      GLY   8  12.974  -8.897 -13.269
   56    HA3  GLY   8           HA3      GLY   8  12.620 -10.370 -12.373
   57    H    LEU   9           H        LEU   9  14.837  -9.647 -14.277
   58    HA   LEU   9           HA       LEU   9  14.834 -12.227 -15.663
   59    HB2  LEU   9           HB2      LEU   9  15.502 -11.352 -17.850
   60    HB3  LEU   9           HB3      LEU   9  13.871 -10.976 -17.359
   61    HG   LEU   9           HG       LEU   9  14.641  -8.629 -16.788
   62   HD11  LEU   9          HD11      LEU   9  17.083  -9.456 -18.410
   63   HD12  LEU   9          HD12      LEU   9  16.640  -7.784 -17.994
   64   HD13  LEU   9          HD13      LEU   9  17.073  -8.927 -16.721
   65   HD21  LEU   9          HD21      LEU   9  13.380  -9.184 -18.823
   66   HD22  LEU   9          HD22      LEU   9  14.566  -7.912 -19.148
   67   HD23  LEU   9          HD23      LEU   9  14.892  -9.580 -19.665
   68    H    LEU  10           H        LEU  10  16.199 -11.429 -13.345
   69    HA   LEU  10           HA       LEU  10  18.994 -10.926 -13.857
   70    HB2  LEU  10           HB2      LEU  10  17.494 -12.229 -11.565
   71    HB3  LEU  10           HB3      LEU  10  19.234 -12.237 -11.616
   72    HG   LEU  10           HG       LEU  10  17.829  -9.592 -11.931
   73   HD11  LEU  10          HD11      LEU  10  18.302 -11.007  -9.272
   74   HD12  LEU  10          HD12      LEU  10  17.838  -9.300  -9.465
   75   HD13  LEU  10          HD13      LEU  10  16.725 -10.580  -9.973
   76   HD21  LEU  10          HD21      LEU  10  20.323  -9.761 -12.125
   77   HD22  LEU  10          HD22      LEU  10  19.816  -8.745 -10.763
   78   HD23  LEU  10          HD23      LEU  10  20.379 -10.398 -10.457
   79    H    THR  11           H        THR  11  20.268 -12.147 -15.022
   80    HA   THR  11           HA       THR  11  20.058 -15.110 -14.816
   81    HB   THR  11           HB       THR  11  20.795 -13.437 -17.231
   82    HG1  THR  11           HG1      THR  11  18.977 -14.433 -18.087
   83   HG21  THR  11          HG21      THR  11  20.971 -16.448 -16.792
   84   HG22  THR  11          HG22      THR  11  20.946 -15.683 -18.395
   85   HG23  THR  11          HG23      THR  11  22.274 -15.334 -17.286
   86    H    ASP  12           H        ASP  12  21.834 -16.249 -14.449
   87    HA   ASP  12           HA       ASP  12  24.253 -15.001 -13.477
   88    HB2  ASP  12           HB2      ASP  12  24.920 -17.269 -12.961
   89    HB3  ASP  12           HB3      ASP  12  23.299 -16.948 -12.382
   90    H    HIS  13           H        HIS  13  24.342 -13.893 -15.748
   91    HA   HIS  13           HA       HIS  13  25.852 -15.437 -17.776
   92    HB2  HIS  13           HB2      HIS  13  24.895 -12.568 -17.606
   93    HB3  HIS  13           HB3      HIS  13  26.024 -13.102 -18.845
   94    HD2  HIS  13           HD2      HIS  13  24.788 -15.753 -19.884
   95    HE1  HIS  13           HE1      HIS  13  21.244 -13.494 -20.606
   96    HE2  HIS  13           HE2      HIS  13  22.510 -15.623 -21.199
   97    H    THR  14           H        THR  14  27.025 -15.756 -15.404
   98    HA   THR  14           HA       THR  14  29.468 -14.126 -15.533
   99    HB   THR  14           HB       THR  14  29.564 -14.043 -13.071
  100    HG1  THR  14           HG1      THR  14  27.678 -14.525 -11.918
  101   HG21  THR  14          HG21      THR  14  26.929 -12.862 -14.025
  102   HG22  THR  14          HG22      THR  14  27.933 -12.327 -12.664
  103   HG23  THR  14          HG23      THR  14  28.521 -12.130 -14.323
  104    H    VAL  15           H        VAL  15  31.409 -15.197 -15.353
  105    HA   VAL  15           HA       VAL  15  31.350 -18.118 -14.736
  106    HB   VAL  15           HB       VAL  15  32.690 -18.579 -16.731
  107   HG11  VAL  15          HG11      VAL  15  30.055 -17.232 -17.398
  108   HG12  VAL  15          HG12      VAL  15  30.872 -18.522 -18.306
  109   HG13  VAL  15          HG13      VAL  15  30.233 -18.849 -16.683
  110   HG21  VAL  15          HG21      VAL  15  33.659 -16.342 -17.203
  111   HG22  VAL  15          HG22      VAL  15  32.809 -17.010 -18.603
  112   HG23  VAL  15          HG23      VAL  15  32.046 -15.734 -17.632
  113    H    SER  16           H        SER  16  32.249 -16.162 -13.011
  114    HA   SER  16           HA       SER  16  35.208 -16.695 -12.822
  115    HB2  SER  16           HB2      SER  16  35.161 -14.431 -13.314
  116    HB3  SER  16           HB3      SER  16  33.615 -14.175 -12.495
  117    HG   SER  16           HG       SER  16  36.181 -14.162 -11.437
  118    H    SER  17           H        SER  17  36.081 -16.958 -10.669
  119    HA   SER  17           HA       SER  17  34.469 -18.447  -8.846
  120    HB2  SER  17           HB2      SER  17  36.411 -18.187  -7.312
  121    HB3  SER  17           HB3      SER  17  36.863 -18.727  -8.939
  122    HG   SER  17           HG       SER  17  38.244 -17.041  -8.202
  123    H    ILE  18           H        ILE  18  35.338 -15.008  -8.889
  124    HA   ILE  18           HA       ILE  18  33.606 -14.421  -6.536
  125    HB   ILE  18           HB       ILE  18  34.361 -11.983  -7.245
  126   HG12  ILE  18          HG12      ILE  18  36.766 -13.591  -8.201
  127   HG13  ILE  18          HG13      ILE  18  35.540 -12.887  -9.271
  128   HG21  ILE  18          HG21      ILE  18  36.182 -13.914  -5.760
  129   HG22  ILE  18          HG22      ILE  18  36.147 -12.140  -5.589
  130   HG23  ILE  18          HG23      ILE  18  34.761 -13.091  -5.075
  131   HD11  ILE  18          HD11      ILE  18  37.100 -11.146  -7.400
  132   HD12  ILE  18          HD12      ILE  18  37.668 -11.605  -9.027
  133   HD13  ILE  18          HD13      ILE  18  36.160 -10.729  -8.856
  134    H    GLY  19           H        GLY  19  33.654 -13.803 -10.092
  135    HA2  GLY  19           HA2      GLY  19  31.347 -12.085 -10.011
  136    HA3  GLY  19           HA3      GLY  19  31.981 -12.904 -11.440
  137    H    HIS  20           H        HIS  20  31.570 -15.631 -10.189
  138    HA   HIS  20           HA       HIS  20  28.787 -16.160 -10.769
  139    HB2  HIS  20           HB2      HIS  20  30.489 -17.888 -10.972
  140    HB3  HIS  20           HB3      HIS  20  30.884 -17.754  -9.255
  141    HD2  HIS  20           HD2      HIS  20  29.501 -19.180  -7.568
  142    HE1  HIS  20           HE1      HIS  20  26.524 -20.681 -10.232
  143    HE2  HIS  20           HE2      HIS  20  27.486 -20.854  -7.880
  144    H    ASP  21           H        ASP  21  30.610 -15.569  -7.709
  145    HA   ASP  21           HA       ASP  21  28.220 -16.015  -6.088
  146    HB2  ASP  21           HB2      ASP  21  31.053 -15.130  -5.496
  147    HB3  ASP  21           HB3      ASP  21  29.776 -14.996  -4.292
  148    H    PHE  22           H        PHE  22  29.773 -13.097  -7.500
  149    HA   PHE  22           HA       PHE  22  28.199 -11.176  -6.128
  150    HB2  PHE  22           HB2      PHE  22  29.978 -10.639  -7.798
  151    HB3  PHE  22           HB3      PHE  22  28.935 -11.180  -9.088
  152    HD1  PHE  22           HD1      PHE  22  26.795  -9.972  -9.581
  153    HD2  PHE  22           HD2      PHE  22  29.637  -8.385  -6.772
  154    HE1  PHE  22           HE1      PHE  22  25.721  -7.742  -9.763
  155    HE2  PHE  22           HE2      PHE  22  28.614  -6.141  -7.008
  156    HZ   PHE  22           HZ       PHE  22  26.653  -5.822  -8.511
  157    H    TYR  23           H        TYR  23  27.287 -13.189  -8.960
  158    HA   TYR  23           HA       TYR  23  24.656 -12.139  -9.284
  159    HB2  TYR  23           HB2      TYR  23  25.647 -13.623 -10.941
  160    HB3  TYR  23           HB3      TYR  23  25.706 -14.950  -9.778
  161    HD1  TYR  23           HD1      TYR  23  23.778 -16.286  -9.257
  162    HD2  TYR  23           HD2      TYR  23  23.438 -12.814 -11.782
  163    HE1  TYR  23           HE1      TYR  23  21.420 -16.895  -9.768
  164    HE2  TYR  23           HE2      TYR  23  21.060 -13.383 -12.241
  165    HH   TYR  23           HH       TYR  23  19.481 -16.297 -10.875
  166    H    ARG  24           H        ARG  24  25.703 -14.941  -7.291
  167    HA   ARG  24           HA       ARG  24  23.075 -15.542  -6.287
  168    HB2  ARG  24           HB2      ARG  24  25.776 -16.232  -5.023
  169    HB3  ARG  24           HB3      ARG  24  24.214 -16.981  -4.676
  170    HG2  ARG  24           HG2      ARG  24  24.157 -17.537  -7.229
  171    HG3  ARG  24           HG3      ARG  24  25.887 -17.210  -7.199
  172    HD2  ARG  24           HD2      ARG  24  24.449 -19.238  -5.449
  173    HD3  ARG  24           HD3      ARG  24  25.309 -19.621  -6.945
  174    HE   ARG  24           HE       ARG  24  27.284 -18.389  -5.484
  175   HH11  ARG  24          HH11      ARG  24  25.189 -21.101  -4.669
  176   HH12  ARG  24          HH12      ARG  24  26.389 -21.794  -3.615
  177   HH21  ARG  24          HH21      ARG  24  28.691 -19.279  -4.210
  178   HH22  ARG  24          HH22      ARG  24  28.368 -20.781  -3.342
  179    H    ALA  25           H        ALA  25  25.683 -13.570  -4.942
  180    HA   ALA  25           HA       ALA  25  24.298 -12.961  -2.470
  181    HB1  ALA  25           HB1      ALA  25  26.651 -11.584  -3.837
  182    HB2  ALA  25           HB2      ALA  25  26.187 -11.446  -2.120
  183    HB3  ALA  25           HB3      ALA  25  26.776 -12.992  -2.759
  184    H    PHE  26           H        PHE  26  24.710 -11.093  -5.557
  185    HA   PHE  26           HA       PHE  26  23.373  -8.755  -4.653
  186    HB2  PHE  26           HB2      PHE  26  24.746  -8.823  -6.662
  187    HB3  PHE  26           HB3      PHE  26  23.676  -9.966  -7.433
  188    HD1  PHE  26           HD1      PHE  26  21.176  -9.157  -7.858
  189    HD2  PHE  26           HD2      PHE  26  24.505  -6.516  -7.113
  190    HE1  PHE  26           HE1      PHE  26  19.919  -7.297  -8.864
  191    HE2  PHE  26           HE2      PHE  26  23.260  -4.663  -8.218
  192    HZ   PHE  26           HZ       PHE  26  20.951  -5.061  -9.083
  193    H    SER  27           H        SER  27  22.021 -11.614  -6.408
  194    HA   SER  27           HA       SER  27  19.354 -10.599  -6.468
  195    HB2  SER  27           HB2      SER  27  18.669 -12.807  -7.125
  196    HB3  SER  27           HB3      SER  27  20.178 -12.374  -7.950
  197    HG   SER  27           HG       SER  27  20.231 -14.524  -7.097
  198    H    ASP  28           H        ASP  28  21.044 -12.416  -3.942
  199    HA   ASP  28           HA       ASP  28  18.757 -13.050  -2.333
  200    HB2  ASP  28           HB2      ASP  28  21.739 -12.886  -1.915
  201    HB3  ASP  28           HB3      ASP  28  20.716 -12.889  -0.491
  202    H    LYS  29           H        LYS  29  20.693 -10.057  -2.520
  203    HA   LYS  29           HA       LYS  29  18.806  -8.853  -0.519
  204    HB2  LYS  29           HB2      LYS  29  20.746  -7.020  -0.499
  205    HB3  LYS  29           HB3      LYS  29  20.572  -8.316   0.634
  206    HG2  LYS  29           HG2      LYS  29  22.322  -8.621  -1.828
  207    HG3  LYS  29           HG3      LYS  29  22.894  -7.762  -0.412
  208    HD2  LYS  29           HD2      LYS  29  22.013 -10.676  -0.377
  209    HD3  LYS  29           HD3      LYS  29  23.674 -10.092  -0.454
  210    HE2  LYS  29           HE2      LYS  29  23.378  -8.929   1.733
  211    HE3  LYS  29           HE3      LYS  29  21.723  -9.537   1.836
  212    HZ1  LYS  29           HZ1      LYS  29  24.160 -11.259   1.778
  213    HZ2  LYS  29           HZ2      LYS  29  23.252 -10.941   3.094
  214    HZ3  LYS  29           HZ3      LYS  29  22.619 -11.815   1.874
  215    H    TRP  30           H        TRP  30  19.102  -8.918  -3.773
  216    HA   TRP  30           HA       TRP  30  18.624  -6.250  -4.535
  217    HB2  TRP  30           HB2      TRP  30  19.172  -8.015  -6.114
  218    HB3  TRP  30           HB3      TRP  30  17.641  -8.831  -5.784
  219    HD1  TRP  30           HD1      TRP  30  15.934  -8.411  -7.603
  220    HE1  TRP  30           HE1      TRP  30  15.315  -6.510  -9.212
  221    HE3  TRP  30           HE3      TRP  30  19.516  -5.005  -6.253
  222    HZ2  TRP  30           HZ2      TRP  30  16.222  -3.848  -9.799
  223    HZ3  TRP  30           HZ3      TRP  30  19.562  -2.764  -7.289
  224    HH2  TRP  30           HH2      TRP  30  17.951  -2.163  -9.074
  225    H    GLU  31           H        GLU  31  16.952  -4.915  -4.686
  226    HA   GLU  31           HA       GLU  31  14.191  -5.715  -4.499
  227    HB2  GLU  31           HB2      GLU  31  15.388  -5.185  -2.024
  228    HB3  GLU  31           HB3      GLU  31  14.742  -3.611  -2.459
  229    HG2  GLU  31           HG2      GLU  31  13.190  -6.235  -2.328
  230    HG3  GLU  31           HG3      GLU  31  13.189  -4.977  -1.098
  231    H    SER  32           H        SER  32  12.822  -4.008  -5.362
  232    HA   SER  32           HA       SER  32  14.045  -1.467  -6.142
  233    HB2  SER  32           HB2      SER  32  13.730  -1.833  -8.578
  234    HB3  SER  32           HB3      SER  32  15.045  -2.746  -7.848
  235    HG   SER  32           HG       SER  32  13.608  -4.586  -7.826
  236    H    ASP  33           H        ASP  33  12.678   0.109  -6.796
  237    HA   ASP  33           HA       ASP  33   9.800  -0.295  -6.404
  238    HB2  ASP  33           HB2      ASP  33  11.052   1.671  -5.545
  239    HB3  ASP  33           HB3      ASP  33  11.370   2.179  -7.206
  240    H    TYR  34           H        TYR  34  11.946   0.176  -9.173
  241    HA   TYR  34           HA       TYR  34   9.782   0.522 -11.109
  242    HB2  TYR  34           HB2      TYR  34  11.394   0.927 -12.685
  243    HB3  TYR  34           HB3      TYR  34  12.138   1.557 -11.240
  244    HD1  TYR  34           HD1      TYR  34  13.832  -0.049  -9.991
  245    HD2  TYR  34           HD2      TYR  34  12.609  -0.522 -14.108
  246    HE1  TYR  34           HE1      TYR  34  15.725  -1.595 -10.380
  247    HE2  TYR  34           HE2      TYR  34  14.506  -2.054 -14.489
  248    HH   TYR  34           HH       TYR  34  16.849  -2.901 -11.917
  249    H    THR  35           H        THR  35  10.404  -1.028 -13.244
  250    HA   THR  35           HA       THR  35   9.090  -3.474 -12.614
  251    HB   THR  35           HB       THR  35  10.455  -3.034 -15.251
  252    HG1  THR  35           HG1      THR  35   8.813  -1.579 -15.831
  253   HG21  THR  35          HG21      THR  35   7.612  -3.865 -14.466
  254   HG22  THR  35          HG22      THR  35   8.250  -3.795 -16.125
  255   HG23  THR  35          HG23      THR  35   8.900  -4.972 -14.985
  256    H    GLY  36           H        GLY  36  12.392  -2.890 -12.177
  257    HA2  GLY  36           HA2      GLY  36  14.075  -4.314 -11.580
  258    HA3  GLY  36           HA3      GLY  36  12.808  -5.530 -11.340
  259    H    ASN  37           H        ASN  37  13.420  -4.250 -14.531
  260    HA   ASN  37           HA       ASN  37  14.098  -6.955 -15.446
  261    HB2  ASN  37           HB2      ASN  37  13.667  -4.416 -17.042
  262    HB3  ASN  37           HB3      ASN  37  13.844  -6.047 -17.695
  263   HD21  ASN  37          HD21      ASN  37  10.546  -7.057 -16.490
  264   HD22  ASN  37          HD22      ASN  37  12.184  -7.685 -16.396
  265    H    LEU  38           H        LEU  38  16.115  -6.827 -14.168
  266    HA   LEU  38           HA       LEU  38  18.364  -5.771 -15.826
  267    HB2  LEU  38           HB2      LEU  38  19.586  -5.141 -14.017
  268    HB3  LEU  38           HB3      LEU  38  17.973  -4.569 -13.636
  269    HG   LEU  38           HG       LEU  38  19.358  -7.026 -12.447
  270   HD11  LEU  38          HD11      LEU  38  18.682  -4.282 -11.354
  271   HD12  LEU  38          HD12      LEU  38  19.161  -5.648 -10.339
  272   HD13  LEU  38          HD13      LEU  38  20.293  -5.028 -11.538
  273   HD21  LEU  38          HD21      LEU  38  16.920  -7.428 -12.457
  274   HD22  LEU  38          HD22      LEU  38  17.505  -7.101 -10.831
  275   HD23  LEU  38          HD23      LEU  38  16.653  -5.823 -11.724
  276    H    THR  39           H        THR  39  20.322  -6.860 -15.945
  277    HA   THR  39           HA       THR  39  20.491  -9.588 -14.782
  278    HB   THR  39           HB       THR  39  19.624  -9.771 -17.118
  279    HG1  THR  39           HG1      THR  39  21.364 -11.375 -17.535
  280   HG21  THR  39          HG21      THR  39  22.449  -8.973 -17.917
  281   HG22  THR  39          HG22      THR  39  21.165  -9.592 -18.975
  282   HG23  THR  39          HG23      THR  39  20.979  -8.009 -18.206
  283    H    ILE  40           H        ILE  40  22.726 -10.479 -14.977
  284    HA   ILE  40           HA       ILE  40  24.710  -8.317 -14.310
  285    HB   ILE  40           HB       ILE  40  24.208 -10.978 -12.949
  286   HG12  ILE  40          HG12      ILE  40  24.043  -8.197 -11.698
  287   HG13  ILE  40          HG13      ILE  40  22.637  -8.974 -12.411
  288   HG21  ILE  40          HG21      ILE  40  26.288  -8.898 -12.122
  289   HG22  ILE  40          HG22      ILE  40  26.038 -10.547 -11.483
  290   HG23  ILE  40          HG23      ILE  40  26.685 -10.332 -13.081
  291   HD11  ILE  40          HD11      ILE  40  24.255 -10.132 -10.124
  292   HD12  ILE  40          HD12      ILE  40  22.660  -9.361 -10.030
  293   HD13  ILE  40          HD13      ILE  40  22.832 -10.883 -10.903
  294    H    ASN  41           H        ASN  41  26.535  -8.424 -15.399
  295    HA   ASN  41           HA       ASN  41  27.265 -10.902 -16.895
  296    HB2  ASN  41           HB2      ASN  41  27.763  -8.049 -17.819
  297    HB3  ASN  41           HB3      ASN  41  27.869  -9.529 -18.758
  298   HD21  ASN  41          HD21      ASN  41  24.261  -7.597 -18.284
  299   HD22  ASN  41          HD22      ASN  41  25.643  -7.194 -17.269
  300    H    GLU  42           H        GLU  42  29.535 -11.457 -16.764
  301    HA   GLU  42           HA       GLU  42  31.280  -9.347 -15.644
  302    HB2  GLU  42           HB2      GLU  42  32.341 -10.735 -14.069
  303    HB3  GLU  42           HB3      GLU  42  30.629 -11.015 -13.873
  304    HG2  GLU  42           HG2      GLU  42  31.380 -13.163 -13.804
  305    HG3  GLU  42           HG3      GLU  42  31.081 -12.995 -15.542
  306    H    ARG  43           H        ARG  43  33.478  -9.397 -16.149
  307    HA   ARG  43           HA       ARG  43  34.228 -11.174 -18.421
  308    HB2  ARG  43           HB2      ARG  43  33.988  -8.764 -19.138
  309    HB3  ARG  43           HB3      ARG  43  35.270  -8.359 -18.011
  310    HG2  ARG  43           HG2      ARG  43  36.329  -8.532 -20.105
  311    HG3  ARG  43           HG3      ARG  43  36.781 -10.004 -19.244
  312    HD2  ARG  43           HD2      ARG  43  35.008 -11.252 -20.497
  313    HD3  ARG  43           HD3      ARG  43  34.567  -9.778 -21.345
  314    HE   ARG  43           HE       ARG  43  36.971 -11.456 -21.733
  315   HH11  ARG  43          HH11      ARG  43  35.474  -8.403 -22.630
  316   HH12  ARG  43          HH12      ARG  43  36.501  -8.215 -24.023
  317   HH21  ARG  43          HH21      ARG  43  38.234 -11.144 -23.522
  318   HH22  ARG  43          HH22      ARG  43  38.020  -9.729 -24.510
  319    HA   PRO  44           HA       PRO  44  37.081 -12.338 -15.188
  320    HB2  PRO  44           HB2      PRO  44  37.962 -14.687 -16.238
  321    HB3  PRO  44           HB3      PRO  44  36.315 -14.491 -15.575
  322    HG2  PRO  44           HG2      PRO  44  37.211 -14.350 -18.468
  323    HG3  PRO  44           HG3      PRO  44  35.820 -15.257 -17.784
  324    HD2  PRO  44           HD2      PRO  44  35.548 -12.802 -18.934
  325    HD3  PRO  44           HD3      PRO  44  34.529 -13.323 -17.562
  326    H    SER  45           H        SER  45  39.026 -11.456 -14.898
  327    HA   SER  45           HA       SER  45  40.936 -11.124 -17.171
  328    HB2  SER  45           HB2      SER  45  39.802  -8.928 -15.390
  329    HB3  SER  45           HB3      SER  45  41.181  -8.735 -16.494
  330    HG   SER  45           HG       SER  45  39.256  -8.063 -17.511
  331    H    ALA  46           H        ALA  46  42.383 -12.555 -16.278
  332    HA   ALA  46           HA       ALA  46  42.885 -12.893 -13.561
  333    HB1  ALA  46           HB1      ALA  46  44.664 -13.584 -15.945
  334    HB2  ALA  46           HB2      ALA  46  44.746 -14.331 -14.335
  335    HB3  ALA  46           HB3      ALA  46  43.304 -14.560 -15.339
  336    H    ARG  47           H        ARG  47  44.127 -10.332 -15.428
  337    HA   ARG  47           HA       ARG  47  46.444  -9.532 -13.982
  338    HB2  ARG  47           HB2      ARG  47  45.903  -7.278 -14.727
  339    HB3  ARG  47           HB3      ARG  47  45.628  -8.435 -16.026
  340    HG2  ARG  47           HG2      ARG  47  43.156  -8.408 -15.428
  341    HG3  ARG  47           HG3      ARG  47  43.485  -7.100 -14.292
  342    HD2  ARG  47           HD2      ARG  47  44.083  -7.012 -17.276
  343    HD3  ARG  47           HD3      ARG  47  42.628  -6.343 -16.519
  344    HE   ARG  47           HE       ARG  47  44.618  -5.099 -15.109
  345   HH11  ARG  47          HH11      ARG  47  43.976  -5.271 -18.554
  346   HH12  ARG  47          HH12      ARG  47  44.719  -3.726 -18.861
  347   HH21  ARG  47          HH21      ARG  47  45.554  -3.138 -15.574
  348   HH22  ARG  47          HH22      ARG  47  45.577  -2.551 -17.209
  349    H    ALA  48           H        ALA  48  43.073  -9.491 -12.934
  350    HA   ALA  48           HA       ALA  48  43.898  -8.679 -10.220
  351    HB1  ALA  48           HB1      ALA  48  42.151  -6.941 -12.013
  352    HB2  ALA  48           HB2      ALA  48  42.278  -6.737 -10.255
  353    HB3  ALA  48           HB3      ALA  48  43.706  -6.515 -11.277
  354    H    GLY  49           H        GLY  49  41.306 -10.029 -12.293
  355    HA2  GLY  49           HA2      GLY  49  40.039 -11.703 -10.630
  356    HA3  GLY  49           HA3      GLY  49  39.422 -10.178 -10.002
  357    H    SER  50           H        SER  50  37.563  -9.417 -10.903
  358    HA   SER  50           HA       SER  50  36.946 -10.056 -13.736
  359    HB2  SER  50           HB2      SER  50  34.558 -10.444 -13.086
  360    HB3  SER  50           HB3      SER  50  35.676 -11.741 -12.643
  361    HG   SER  50           HG       SER  50  34.366 -11.340 -10.898
  362    H    TRP  51           H        TRP  51  35.757  -8.590 -14.857
  363    HA   TRP  51           HA       TRP  51  34.983  -6.020 -13.538
  364    HB2  TRP  51           HB2      TRP  51  35.308  -6.960 -16.354
  365    HB3  TRP  51           HB3      TRP  51  33.936  -5.917 -16.049
  366    HD1  TRP  51           HD1      TRP  51  37.568  -5.779 -16.688
  367    HE1  TRP  51           HE1      TRP  51  38.427  -3.370 -16.529
  368    HE3  TRP  51           HE3      TRP  51  33.458  -3.617 -14.532
  369    HZ2  TRP  51           HZ2      TRP  51  37.409  -0.793 -15.672
  370    HZ3  TRP  51           HZ3      TRP  51  33.433  -1.169 -14.068
  371    HH2  TRP  51           HH2      TRP  51  35.379   0.242 -14.639
  372    H    ILE  52           H        ILE  52  32.933  -5.777 -12.789
  373    HA   ILE  52           HA       ILE  52  30.813  -7.727 -13.630
  374    HB   ILE  52           HB       ILE  52  30.894  -5.962 -11.151
  375   HG12  ILE  52          HG12      ILE  52  32.558  -7.678 -10.836
  376   HG13  ILE  52          HG13      ILE  52  31.149  -8.021  -9.844
  377   HG21  ILE  52          HG21      ILE  52  28.911  -8.097 -12.080
  378   HG22  ILE  52          HG22      ILE  52  28.955  -7.387 -10.452
  379   HG23  ILE  52          HG23      ILE  52  28.602  -6.361 -11.835
  380   HD11  ILE  52          HD11      ILE  52  31.748  -9.360 -12.508
  381   HD12  ILE  52          HD12      ILE  52  32.122 -10.049 -10.936
  382   HD13  ILE  52          HD13      ILE  52  30.425  -9.790 -11.410
  383    H    THR  53           H        THR  53  29.181  -6.981 -14.770
  384    HA   THR  53           HA       THR  53  28.675  -4.036 -14.990
  385    HB   THR  53           HB       THR  53  28.936  -5.987 -17.313
  386    HG1  THR  53           HG1      THR  53  30.797  -4.806 -17.779
  387   HG21  THR  53          HG21      THR  53  28.559  -2.960 -17.283
  388   HG22  THR  53          HG22      THR  53  28.772  -3.968 -18.723
  389   HG23  THR  53          HG23      THR  53  27.302  -4.131 -17.748
  390    H    ILE  54           H        ILE  54  26.617  -3.674 -14.451
  391    HA   ILE  54           HA       ILE  54  24.595  -5.829 -14.882
  392    HB   ILE  54           HB       ILE  54  24.726  -5.394 -12.635
  393   HG12  ILE  54          HG12      ILE  54  22.405  -5.589 -13.488
  394   HG13  ILE  54          HG13      ILE  54  22.599  -4.783 -11.944
  395   HG21  ILE  54          HG21      ILE  54  24.641  -2.433 -13.234
  396   HG22  ILE  54          HG22      ILE  54  24.374  -3.119 -11.611
  397   HG23  ILE  54          HG23      ILE  54  25.920  -3.372 -12.430
  398   HD11  ILE  54          HD11      ILE  54  21.871  -3.452 -14.583
  399   HD12  ILE  54          HD12      ILE  54  20.918  -3.577 -13.122
  400   HD13  ILE  54          HD13      ILE  54  22.350  -2.557 -13.124
  401    H    THR  55           H        THR  55  23.055  -5.638 -16.272
  402    HA   THR  55           HA       THR  55  22.699  -3.046 -17.701
  403    HB   THR  55           HB       THR  55  22.131  -4.482 -19.706
  404    HG1  THR  55           HG1      THR  55  22.590  -6.592 -19.657
  405   HG21  THR  55          HG21      THR  55  24.963  -4.698 -18.568
  406   HG22  THR  55          HG22      THR  55  24.507  -5.110 -20.233
  407   HG23  THR  55          HG23      THR  55  24.335  -3.450 -19.668
  408    H    VAL  56           H        VAL  56  20.666  -2.339 -18.101
  409    HA   VAL  56           HA       VAL  56  18.361  -3.930 -17.040
  410    HB   VAL  56           HB       VAL  56  18.810  -0.954 -17.247
  411   HG11  VAL  56          HG11      VAL  56  16.109  -2.367 -16.982
  412   HG12  VAL  56          HG12      VAL  56  16.407  -0.660 -16.589
  413   HG13  VAL  56          HG13      VAL  56  16.596  -1.213 -18.253
  414   HG21  VAL  56          HG21      VAL  56  19.354  -2.337 -15.179
  415   HG22  VAL  56          HG22      VAL  56  18.130  -1.076 -14.906
  416   HG23  VAL  56          HG23      VAL  56  17.637  -2.766 -15.083
  417    H    ASN  57           H        ASN  57  17.282  -4.935 -18.442
  418    HA   ASN  57           HA       ASN  57  16.615  -5.914 -20.356
  419    HB2  ASN  57           HB2      ASN  57  16.281  -3.074 -21.397
  420    HB3  ASN  57           HB3      ASN  57  15.646  -4.526 -22.149
  421   HD21  ASN  57          HD21      ASN  57  13.526  -2.838 -19.212
  422   HD22  ASN  57          HD22      ASN  57  14.964  -2.089 -19.893
  423    H    GLN  58           H        GLN  58  18.412  -3.230 -21.832
  424    HA   GLN  58           HA       GLN  58  20.477  -5.054 -22.920
  425    HB2  GLN  58           HB2      GLN  58  20.152  -4.196 -25.208
  426    HB3  GLN  58           HB3      GLN  58  18.756  -5.089 -24.613
  427    HG2  GLN  58           HG2      GLN  58  17.504  -3.032 -24.225
  428    HG3  GLN  58           HG3      GLN  58  18.921  -2.043 -24.581
  429   HE21  GLN  58          HE21      GLN  58  16.841  -3.771 -27.704
  430   HE22  GLN  58          HE22      GLN  58  16.645  -4.425 -26.084
  431    H    ASP  59           H        ASP  59  20.015  -2.425 -21.115
  432    HA   ASP  59           HA       ASP  59  22.177  -0.743 -22.350
  433    HB2  ASP  59           HB2      ASP  59  19.736  -0.019 -20.688
  434    HB3  ASP  59           HB3      ASP  59  21.057   1.093 -21.010
  435    H    VAL  60           H        VAL  60  24.017  -0.423 -21.174
  436    HA   VAL  60           HA       VAL  60  24.226  -1.559 -18.481
  437    HB   VAL  60           HB       VAL  60  26.138  -1.724 -19.945
  438   HG11  VAL  60          HG11      VAL  60  26.399   1.310 -19.827
  439   HG12  VAL  60          HG12      VAL  60  27.552   0.173 -20.548
  440   HG13  VAL  60          HG13      VAL  60  25.948   0.363 -21.263
  441   HG21  VAL  60          HG21      VAL  60  26.490  -1.607 -17.480
  442   HG22  VAL  60          HG22      VAL  60  27.874  -1.018 -18.423
  443   HG23  VAL  60          HG23      VAL  60  26.806   0.142 -17.630
  444    H    ILE  61           H        ILE  61  24.206  -0.615 -16.563
  445    HA   ILE  61           HA       ILE  61  23.874   2.365 -16.427
  446    HB   ILE  61           HB       ILE  61  22.345   1.896 -14.475
  447   HG12  ILE  61          HG12      ILE  61  21.714  -0.743 -15.796
  448   HG13  ILE  61          HG13      ILE  61  22.826  -0.624 -14.422
  449   HG21  ILE  61          HG21      ILE  61  21.292   1.202 -17.237
  450   HG22  ILE  61          HG22      ILE  61  20.376   1.930 -15.893
  451   HG23  ILE  61          HG23      ILE  61  21.669   2.845 -16.667
  452   HD11  ILE  61          HD11      ILE  61  19.950   0.387 -14.380
  453   HD12  ILE  61          HD12      ILE  61  20.515  -1.134 -13.703
  454   HD13  ILE  61          HD13      ILE  61  21.109   0.394 -13.033
  455    H    PHE  62           H        PHE  62  25.285  -0.510 -14.926
  456    HA   PHE  62           HA       PHE  62  27.066   1.283 -13.480
  457    HB2  PHE  62           HB2      PHE  62  25.390   1.161 -11.804
  458    HB3  PHE  62           HB3      PHE  62  25.147  -0.557 -12.016
  459    HD1  PHE  62           HD1      PHE  62  26.439  -2.104 -10.612
  460    HD2  PHE  62           HD2      PHE  62  27.673   2.015 -10.965
  461    HE1  PHE  62           HE1      PHE  62  28.279  -2.510  -8.976
  462    HE2  PHE  62           HE2      PHE  62  29.469   1.609  -9.302
  463    HZ   PHE  62           HZ       PHE  62  29.766  -0.650  -8.313
  464    H    GLN  63           H        GLN  63  29.003   0.369 -12.954
  465    HA   GLN  63           HA       GLN  63  29.467  -2.452 -13.223
  466    HB2  GLN  63           HB2      GLN  63  31.130  -2.353 -15.043
  467    HB3  GLN  63           HB3      GLN  63  29.505  -1.947 -15.580
  468    HG2  GLN  63           HG2      GLN  63  30.099   0.481 -15.526
  469    HG3  GLN  63           HG3      GLN  63  31.755   0.044 -15.095
  470   HE21  GLN  63          HE21      GLN  63  32.363  -1.439 -18.412
  471   HE22  GLN  63          HE22      GLN  63  32.608  -1.879 -16.733
  472    H    THR  64           H        THR  64  31.426  -3.151 -12.366
  473    HA   THR  64           HA       THR  64  33.384  -1.243 -11.284
  474    HB   THR  64           HB       THR  64  31.531  -1.134  -9.667
  475    HG1  THR  64           HG1      THR  64  32.861  -1.395  -7.902
  476   HG21  THR  64          HG21      THR  64  32.133  -4.054  -9.010
  477   HG22  THR  64          HG22      THR  64  30.939  -2.987  -8.237
  478   HG23  THR  64          HG23      THR  64  30.694  -3.512  -9.902
  479    H    PHE  65           H        PHE  65  35.130  -2.395 -10.063
  480    HA   PHE  65           HA       PHE  65  35.703  -5.008 -11.369
  481    HB2  PHE  65           HB2      PHE  65  37.248  -2.797 -11.312
  482    HB3  PHE  65           HB3      PHE  65  37.809  -3.556  -9.831
  483    HD1  PHE  65           HD1      PHE  65  38.124  -3.426 -13.383
  484    HD2  PHE  65           HD2      PHE  65  38.478  -6.114 -10.036
  485    HE1  PHE  65           HE1      PHE  65  39.466  -4.987 -14.773
  486    HE2  PHE  65           HE2      PHE  65  39.728  -7.706 -11.446
  487    HZ   PHE  65           HZ       PHE  65  40.229  -7.142 -13.838
  488    H    LEU  66           H        LEU  66  35.771  -6.859 -10.231
  489    HA   LEU  66           HA       LEU  66  35.697  -6.788  -7.251
  490    HB2  LEU  66           HB2      LEU  66  34.622  -8.727  -9.284
  491    HB3  LEU  66           HB3      LEU  66  35.115  -9.304  -7.703
  492    HG   LEU  66           HG       LEU  66  32.928  -7.272  -8.182
  493   HD11  LEU  66          HD11      LEU  66  32.939 -10.154  -7.139
  494   HD12  LEU  66          HD12      LEU  66  31.529  -9.121  -7.401
  495   HD13  LEU  66          HD13      LEU  66  32.485  -9.689  -8.776
  496   HD21  LEU  66          HD21      LEU  66  33.949  -6.798  -5.993
  497   HD22  LEU  66          HD22      LEU  66  32.445  -7.694  -5.737
  498   HD23  LEU  66          HD23      LEU  66  34.006  -8.530  -5.608
  499    H    PHE  67           H        PHE  67  37.141  -7.851  -6.073
  500    HA   PHE  67           HA       PHE  67  39.498  -9.092  -7.451
  501    HB2  PHE  67           HB2      PHE  67  39.484  -7.467  -4.893
  502    HB3  PHE  67           HB3      PHE  67  40.892  -8.137  -5.701
  503    HD1  PHE  67           HD1      PHE  67  38.288  -5.499  -5.781
  504    HD2  PHE  67           HD2      PHE  67  41.859  -7.015  -7.667
  505    HE1  PHE  67           HE1      PHE  67  38.519  -3.378  -7.045
  506    HE2  PHE  67           HE2      PHE  67  42.108  -4.865  -8.897
  507    HZ   PHE  67           HZ       PHE  67  40.431  -3.058  -8.605
  508    HA   PRO  68           HA       PRO  68  38.306 -12.568  -4.892
  509    HB2  PRO  68           HB2      PRO  68  40.206 -14.372  -5.605
  510    HB3  PRO  68           HB3      PRO  68  38.966 -13.785  -6.757
  511    HG2  PRO  68           HG2      PRO  68  41.801 -12.726  -6.398
  512    HG3  PRO  68           HG3      PRO  68  41.010 -13.252  -7.927
  513    HD2  PRO  68           HD2      PRO  68  41.103 -10.666  -7.190
  514    HD3  PRO  68           HD3      PRO  68  39.649 -11.360  -7.981
  515    H    LEU  69           H        LEU  69  41.608 -11.246  -4.667
  516    HA   LEU  69           HA       LEU  69  42.292 -12.678  -2.228
  517    HB2  LEU  69           HB2      LEU  69  43.891 -12.073  -4.034
  518    HB3  LEU  69           HB3      LEU  69  43.624 -10.363  -3.697
  519    HG   LEU  69           HG       LEU  69  44.639 -10.637  -1.447
  520   HD11  LEU  69          HD11      LEU  69  45.158 -13.507  -2.351
  521   HD12  LEU  69          HD12      LEU  69  45.887 -12.729  -0.928
  522   HD13  LEU  69          HD13      LEU  69  44.145 -13.003  -0.977
  523   HD21  LEU  69          HD21      LEU  69  46.025 -10.007  -3.383
  524   HD22  LEU  69          HD22      LEU  69  46.941 -10.973  -2.217
  525   HD23  LEU  69          HD23      LEU  69  46.351 -11.722  -3.718
  526    H    LYS  70           H        LYS  70  40.756  -9.659  -2.942
  527    HA   LYS  70           HA       LYS  70  41.248  -8.486  -0.248
  528    HB2  LYS  70           HB2      LYS  70  39.837  -7.317  -2.678
  529    HB3  LYS  70           HB3      LYS  70  40.161  -6.468  -1.166
  530    HG2  LYS  70           HG2      LYS  70  42.611  -6.784  -1.516
  531    HG3  LYS  70           HG3      LYS  70  42.276  -7.546  -3.083
  532    HD2  LYS  70           HD2      LYS  70  41.162  -5.469  -3.864
  533    HD3  LYS  70           HD3      LYS  70  41.494  -4.704  -2.294
  534    HE2  LYS  70           HE2      LYS  70  43.938  -5.033  -2.660
  535    HE3  LYS  70           HE3      LYS  70  43.605  -5.768  -4.232
  536    HZ1  LYS  70           HZ1      LYS  70  42.932  -2.960  -3.485
  537    HZ2  LYS  70           HZ2      LYS  70  44.163  -3.407  -4.454
  538    HZ3  LYS  70           HZ3      LYS  70  42.623  -3.637  -4.945
  539    H    ARG  71           H        ARG  71  39.489  -7.560   0.963
  540    HA   ARG  71           HA       ARG  71  37.178  -9.429   1.100
  541    HB2  ARG  71           HB2      ARG  71  37.022  -8.940   3.417
  542    HB3  ARG  71           HB3      ARG  71  38.685  -9.343   3.010
  543    HG2  ARG  71           HG2      ARG  71  39.289  -6.922   3.064
  544    HG3  ARG  71           HG3      ARG  71  37.610  -6.518   3.472
  545    HD2  ARG  71           HD2      ARG  71  37.788  -7.911   5.519
  546    HD3  ARG  71           HD3      ARG  71  39.472  -8.273   5.128
  547    HE   ARG  71           HE       ARG  71  39.900  -5.785   5.249
  548   HH11  ARG  71          HH11      ARG  71  37.329  -7.145   7.221
  549   HH12  ARG  71          HH12      ARG  71  37.425  -5.852   8.384
  550   HH21  ARG  71          HH21      ARG  71  39.960  -4.182   6.767
  551   HH22  ARG  71          HH22      ARG  71  38.881  -4.223   8.130
  552    H    ASP  72           H        ASP  72  37.387  -6.734  -0.537
  553    HA   ASP  72           HA       ASP  72  35.167  -5.190   0.493
  554    HB2  ASP  72           HB2      ASP  72  35.328  -3.865  -1.444
  555    HB3  ASP  72           HB3      ASP  72  36.960  -4.251  -0.953
  556    H    PHE  73           H        PHE  73  35.195  -8.124  -1.361
  557    HA   PHE  73           HA       PHE  73  33.259  -7.873  -3.237
  558    HB2  PHE  73           HB2      PHE  73  34.448  -9.899  -3.023
  559    HB3  PHE  73           HB3      PHE  73  33.891 -10.197  -1.385
  560    HD1  PHE  73           HD1      PHE  73  31.514 -10.922  -0.939
  561    HD2  PHE  73           HD2      PHE  73  33.151 -10.623  -4.920
  562    HE1  PHE  73           HE1      PHE  73  29.580 -12.182  -1.832
  563    HE2  PHE  73           HE2      PHE  73  31.223 -11.905  -5.812
  564    HZ   PHE  73           HZ       PHE  73  29.405 -12.635  -4.244
  565    H    GLU  74           H        GLU  74  32.401  -8.610   0.188
  566    HA   GLU  74           HA       GLU  74  29.581  -8.701  -0.250
  567    HB2  GLU  74           HB2      GLU  74  31.005  -9.441   1.783
  568    HB3  GLU  74           HB3      GLU  74  30.908  -7.756   2.312
  569    HG2  GLU  74           HG2      GLU  74  28.405  -7.923   2.250
  570    HG3  GLU  74           HG3      GLU  74  28.556  -9.610   1.741
  571    H    LYS  75           H        LYS  75  31.720  -6.020   0.575
  572    HA   LYS  75           HA       LYS  75  29.654  -4.016   0.982
  573    HB2  LYS  75           HB2      LYS  75  32.665  -3.670   0.424
  574    HB3  LYS  75           HB3      LYS  75  31.527  -2.410   0.901
  575    HG2  LYS  75           HG2      LYS  75  32.284  -2.874   2.975
  576    HG3  LYS  75           HG3      LYS  75  31.000  -4.080   2.914
  577    HD2  LYS  75           HD2      LYS  75  32.955  -5.636   1.940
  578    HD3  LYS  75           HD3      LYS  75  34.009  -4.438   2.679
  579    HE2  LYS  75           HE2      LYS  75  31.778  -5.989   4.079
  580    HE3  LYS  75           HE3      LYS  75  33.484  -6.444   4.106
  581    HZ1  LYS  75           HZ1      LYS  75  32.379  -3.919   5.259
  582    HZ2  LYS  75           HZ2      LYS  75  32.908  -5.203   6.109
  583    HZ3  LYS  75           HZ3      LYS  75  33.968  -4.316   5.244
  584    H    THR  76           H        THR  76  31.791  -4.836  -1.745
  585    HA   THR  76           HA       THR  76  30.739  -2.986  -3.639
  586    HB   THR  76           HB       THR  76  32.167  -5.651  -3.946
  587    HG1  THR  76           HG1      THR  76  33.884  -4.409  -3.902
  588   HG21  THR  76          HG21      THR  76  31.416  -3.593  -6.071
  589   HG22  THR  76          HG22      THR  76  32.713  -4.806  -6.272
  590   HG23  THR  76          HG23      THR  76  31.032  -5.325  -6.069
  591    H    VAL  77           H        VAL  77  29.615  -6.325  -2.855
  592    HA   VAL  77           HA       VAL  77  27.508  -6.383  -4.832
  593    HB   VAL  77           HB       VAL  77  27.852  -7.825  -2.182
  594   HG11  VAL  77          HG11      VAL  77  25.601  -8.136  -4.214
  595   HG12  VAL  77          HG12      VAL  77  25.959  -9.286  -2.907
  596   HG13  VAL  77          HG13      VAL  77  25.421  -7.665  -2.506
  597   HG21  VAL  77          HG21      VAL  77  29.296  -8.460  -4.185
  598   HG22  VAL  77          HG22      VAL  77  28.283  -9.757  -3.548
  599   HG23  VAL  77          HG23      VAL  77  27.796  -8.903  -5.027
  600    H    VAL  78           H        VAL  78  27.401  -5.405  -1.342
  601    HA   VAL  78           HA       VAL  78  24.637  -4.656  -1.409
  602    HB   VAL  78           HB       VAL  78  26.910  -3.807   0.421
  603   HG11  VAL  78          HG11      VAL  78  23.915  -3.302   0.749
  604   HG12  VAL  78          HG12      VAL  78  25.131  -3.112   2.031
  605   HG13  VAL  78          HG13      VAL  78  25.190  -2.066   0.614
  606   HG21  VAL  78          HG21      VAL  78  26.238  -6.225   0.465
  607   HG22  VAL  78          HG22      VAL  78  25.878  -5.393   1.978
  608   HG23  VAL  78          HG23      VAL  78  24.571  -5.733   0.820
  609    H    ALA  79           H        ALA  79  27.577  -2.764  -2.093
  610    HA   ALA  79           HA       ALA  79  26.225  -0.233  -2.362
  611    HB1  ALA  79           HB1      ALA  79  28.893  -1.248  -3.432
  612    HB2  ALA  79           HB2      ALA  79  28.406   0.464  -3.269
  613    HB3  ALA  79           HB3      ALA  79  28.616  -0.545  -1.823
  614    H    ALA  80           H        ALA  80  26.911  -2.877  -4.710
  615    HA   ALA  80           HA       ALA  80  26.179  -1.392  -7.054
  616    HB1  ALA  80           HB1      ALA  80  25.964  -4.391  -6.492
  617    HB2  ALA  80           HB2      ALA  80  26.002  -3.603  -8.084
  618    HB3  ALA  80           HB3      ALA  80  27.436  -3.555  -7.033
  619    H    LEU  81           H        LEU  81  24.210  -2.901  -4.538
  620    HA   LEU  81           HA       LEU  81  21.737  -3.108  -6.011
  621    HB2  LEU  81           HB2      LEU  81  21.986  -2.472  -3.046
  622    HB3  LEU  81           HB3      LEU  81  20.647  -3.244  -3.864
  623    HG   LEU  81           HG       LEU  81  23.393  -4.474  -3.507
  624   HD11  LEU  81          HD11      LEU  81  20.839  -4.984  -1.962
  625   HD12  LEU  81          HD12      LEU  81  22.397  -5.829  -1.764
  626   HD13  LEU  81          HD13      LEU  81  22.263  -4.112  -1.359
  627   HD21  LEU  81          HD21      LEU  81  22.127  -5.439  -5.417
  628   HD22  LEU  81          HD22      LEU  81  22.343  -6.598  -4.097
  629   HD23  LEU  81          HD23      LEU  81  20.780  -5.795  -4.311
  630    H    ILE  82           H        ILE  82  23.049  -0.557  -3.896
  631    HA   ILE  82           HA       ILE  82  20.946   1.366  -4.358
  632    HB   ILE  82           HB       ILE  82  23.797   1.769  -3.355
  633   HG12  ILE  82          HG12      ILE  82  21.198   1.423  -1.778
  634   HG13  ILE  82          HG13      ILE  82  22.412   0.165  -1.983
  635   HG21  ILE  82          HG21      ILE  82  21.348   3.590  -3.139
  636   HG22  ILE  82          HG22      ILE  82  22.931   3.892  -2.392
  637   HG23  ILE  82          HG23      ILE  82  22.787   3.897  -4.136
  638   HD11  ILE  82          HD11      ILE  82  22.785   2.761  -0.462
  639   HD12  ILE  82          HD12      ILE  82  22.740   1.112   0.170
  640   HD13  ILE  82          HD13      ILE  82  24.102   1.623  -0.847
  641    H    GLN  83           H        GLN  83  24.228   0.970  -5.797
  642    HA   GLN  83           HA       GLN  83  23.987   3.303  -7.447
  643    HB2  GLN  83           HB2      GLN  83  25.798   0.860  -7.616
  644    HB3  GLN  83           HB3      GLN  83  25.971   2.279  -8.661
  645    HG2  GLN  83           HG2      GLN  83  26.334   3.747  -6.792
  646    HG3  GLN  83           HG3      GLN  83  25.979   2.494  -5.615
  647   HE21  GLN  83          HE21      GLN  83  29.144   0.814  -6.026
  648   HE22  GLN  83          HE22      GLN  83  27.426   0.502  -5.711
  649    H    THR  84           H        THR  84  22.864   0.012  -7.980
  650    HA   THR  84           HA       THR  84  22.243   0.252 -10.785
  651    HB   THR  84           HB       THR  84  20.926  -1.409  -8.606
  652    HG1  THR  84           HG1      THR  84  23.031  -2.018  -8.931
  653   HG21  THR  84          HG21      THR  84  20.807  -1.719 -11.613
  654   HG22  THR  84          HG22      THR  84  20.169  -2.846 -10.407
  655   HG23  THR  84          HG23      THR  84  19.435  -1.243 -10.594
  656    H    GLU  85           H        GLU  85  20.250   1.051  -7.814
  657    HA   GLU  85           HA       GLU  85  18.104   2.019  -9.559
  658    HB2  GLU  85           HB2      GLU  85  16.985   2.798  -7.611
  659    HB3  GLU  85           HB3      GLU  85  17.494   1.131  -7.381
  660    HG2  GLU  85           HG2      GLU  85  19.126   1.720  -5.788
  661    HG3  GLU  85           HG3      GLU  85  19.168   3.413  -6.288
  662    H    GLU  86           H        GLU  86  20.892   3.553  -7.938
  663    HA   GLU  86           HA       GLU  86  20.030   6.206  -8.329
  664    HB2  GLU  86           HB2      GLU  86  22.784   4.997  -8.061
  665    HB3  GLU  86           HB3      GLU  86  22.545   6.738  -8.168
  666    HG2  GLU  86           HG2      GLU  86  20.977   5.131  -6.148
  667    HG3  GLU  86           HG3      GLU  86  22.656   5.590  -5.818
  668    H    ALA  87           H        ALA  87  21.360   4.062 -10.750
  669    HA   ALA  87           HA       ALA  87  21.759   6.102 -12.778
  670    HB1  ALA  87           HB1      ALA  87  21.029   3.136 -13.003
  671    HB2  ALA  87           HB2      ALA  87  21.660   4.165 -14.303
  672    HB3  ALA  87           HB3      ALA  87  22.681   3.792 -12.897
  673    H    LEU  88           H        LEU  88  18.961   4.146 -11.711
  674    HA   LEU  88           HA       LEU  88  17.250   5.047 -13.923
  675    HB2  LEU  88           HB2      LEU  88  16.613   3.327 -11.514
  676    HB3  LEU  88           HB3      LEU  88  15.627   3.493 -12.966
  677    HG   LEU  88           HG       LEU  88  18.339   2.121 -12.699
  678   HD11  LEU  88          HD11      LEU  88  15.588   1.080 -13.456
  679   HD12  LEU  88          HD12      LEU  88  17.079   0.128 -13.255
  680   HD13  LEU  88          HD13      LEU  88  16.348   0.921 -11.852
  681   HD21  LEU  88          HD21      LEU  88  18.347   3.148 -14.863
  682   HD22  LEU  88          HD22      LEU  88  17.949   1.441 -15.092
  683   HD23  LEU  88          HD23      LEU  88  16.650   2.650 -15.171
  684    H    ASN  89           H        ASN  89  17.804   5.897 -10.618
  685    HA   ASN  89           HA       ASN  89  15.459   7.199  -9.925
  686    HB2  ASN  89           HB2      ASN  89  18.343   7.360  -9.083
  687    HB3  ASN  89           HB3      ASN  89  17.233   8.547  -8.446
  688   HD21  ASN  89          HD21      ASN  89  17.347   5.594  -6.132
  689   HD22  ASN  89          HD22      ASN  89  18.515   6.807  -6.694
  690    H    ARG  90           H        ARG  90  18.030   8.486 -11.931
  691    HA   ARG  90           HA       ARG  90  16.533  11.077 -12.297
  692    HB2  ARG  90           HB2      ARG  90  19.341  10.141 -12.807
  693    HB3  ARG  90           HB3      ARG  90  18.677  11.301 -13.941
  694    HG2  ARG  90           HG2      ARG  90  19.908  12.442 -12.176
  695    HG3  ARG  90           HG3      ARG  90  18.217  12.922 -12.236
  696    HD2  ARG  90           HD2      ARG  90  18.984  12.729  -9.941
  697    HD3  ARG  90           HD3      ARG  90  17.713  11.541 -10.267
  698    HE   ARG  90           HE       ARG  90  20.294  10.361 -10.733
  699   HH11  ARG  90          HH11      ARG  90  18.527  11.544  -7.934
  700   HH12  ARG  90          HH12      ARG  90  19.229  10.335  -6.891
  701   HH21  ARG  90          HH21      ARG  90  20.962   8.739  -9.373
  702   HH22  ARG  90          HH22      ARG  90  20.487   8.786  -7.679
  703    H    ARG  91           H        ARG  91  16.597   8.036 -13.796
  704    HA   ARG  91           HA       ARG  91  15.974   9.018 -16.544
  705    HB2  ARG  91           HB2      ARG  91  15.989   6.257 -15.274
  706    HB3  ARG  91           HB3      ARG  91  15.554   6.558 -16.960
  707    HG2  ARG  91           HG2      ARG  91  17.767   7.363 -17.486
  708    HG3  ARG  91           HG3      ARG  91  18.249   7.334 -15.790
  709    HD2  ARG  91           HD2      ARG  91  18.884   5.171 -15.977
  710    HD3  ARG  91           HD3      ARG  91  17.252   4.704 -16.370
  711    HE   ARG  91           HE       ARG  91  19.492   5.345 -18.248
  712   HH11  ARG  91          HH11      ARG  91  16.162   4.185 -18.075
  713   HH12  ARG  91          HH12      ARG  91  16.195   3.652 -19.728
  714   HH21  ARG  91          HH21      ARG  91  19.428   4.642 -20.326
  715   HH22  ARG  91          HH22      ARG  91  17.992   3.900 -20.962
  716    H    GLN  92           H        GLN  92  14.295   7.247 -13.979
  717    HA   GLN  92           HA       GLN  92  11.649   8.245 -14.970
  718    HB2  GLN  92           HB2      GLN  92  10.828   5.868 -14.867
  719    HB3  GLN  92           HB3      GLN  92  11.888   6.271 -16.221
  720    HG2  GLN  92           HG2      GLN  92  13.760   5.089 -15.217
  721    HG3  GLN  92           HG3      GLN  92  12.877   4.833 -13.715
  722   HE21  GLN  92          HE21      GLN  92  10.846   2.175 -15.116
  723   HE22  GLN  92          HE22      GLN  92  10.820   3.426 -13.883
  724    H    ILE  93           H        ILE  93  13.321   6.660 -12.245
  725    HA   ILE  93           HA       ILE  93  10.878   6.220 -10.805
  726    HB   ILE  93           HB       ILE  93  13.614   6.356  -9.509
  727   HG12  ILE  93          HG12      ILE  93  12.331   4.071 -11.069
  728   HG13  ILE  93          HG13      ILE  93  13.820   4.924 -11.480
  729   HG21  ILE  93          HG21      ILE  93  11.127   4.717  -8.855
  730   HG22  ILE  93          HG22      ILE  93  12.647   4.744  -7.929
  731   HG23  ILE  93          HG23      ILE  93  11.645   6.173  -7.977
  732   HD11  ILE  93          HD11      ILE  93  13.465   3.035  -9.130
  733   HD12  ILE  93          HD12      ILE  93  14.391   2.768 -10.607
  734   HD13  ILE  93          HD13      ILE  93  14.926   4.005  -9.454
  735    H    ASN  94           H        ASN  94  12.730   9.087 -11.174
  736    HA   ASN  94           HA       ASN  94  11.956  10.698  -8.985
  737    HB2  ASN  94           HB2      ASN  94  11.853  12.587 -10.710
  738    HB3  ASN  94           HB3      ASN  94  13.362  11.763 -10.380
  739   HD21  ASN  94          HD21      ASN  94  13.809  10.554 -13.588
  740   HD22  ASN  94          HD22      ASN  94  14.339  10.512 -11.908
  741    H    GLN  95           H        GLN  95   9.946   9.710 -11.735
  742    HA   GLN  95           HA       GLN  95   7.644  11.305 -11.200
  743    HB2  GLN  95           HB2      GLN  95   7.836   8.491 -12.350
  744    HB3  GLN  95           HB3      GLN  95   6.436   9.557 -12.495
  745    HG2  GLN  95           HG2      GLN  95   7.691  11.154 -13.838
  746    HG3  GLN  95           HG3      GLN  95   9.192  10.262 -13.606
  747   HE21  GLN  95          HE21      GLN  95   8.267   7.572 -15.829
  748   HE22  GLN  95          HE22      GLN  95   9.090   7.896 -14.291
  749    H    ALA  96           H        ALA  96   8.731   8.292  -9.672
  750    HA   ALA  96           HA       ALA  96   6.218   8.001  -8.119
  751    HB1  ALA  96           HB1      ALA  96   8.706   6.253  -8.300
  752    HB2  ALA  96           HB2      ALA  96   7.203   5.862  -7.441
  753    HB3  ALA  96           HB3      ALA  96   7.192   6.030  -9.206
  754    H    LEU  97           H        LEU  97   9.751   8.408  -7.447
  755    HA   LEU  97           HA       LEU  97   9.396   8.479  -4.614
  756    HB2  LEU  97           HB2      LEU  97  11.728   9.064  -4.485
  757    HB3  LEU  97           HB3      LEU  97  11.414   7.766  -5.634
  758    HG   LEU  97           HG       LEU  97  11.533   9.614  -7.418
  759   HD11  LEU  97          HD11      LEU  97  13.093  10.976  -5.188
  760   HD12  LEU  97          HD12      LEU  97  13.181  11.436  -6.898
  761   HD13  LEU  97          HD13      LEU  97  11.670  11.633  -6.019
  762   HD21  LEU  97          HD21      LEU  97  13.201   7.802  -7.171
  763   HD22  LEU  97          HD22      LEU  97  13.976   9.319  -7.650
  764   HD23  LEU  97          HD23      LEU  97  14.064   8.768  -5.960
  765    H    LEU  98           H        LEU  98   9.071  11.014  -6.887
  766    HA   LEU  98           HA       LEU  98   9.188  13.287  -5.140
  767    HB2  LEU  98           HB2      LEU  98   9.263  13.408  -7.585
  768    HB3  LEU  98           HB3      LEU  98   7.620  12.770  -7.698
  769    HG   LEU  98           HG       LEU  98   6.742  14.848  -6.664
  770   HD11  LEU  98          HD11      LEU  98   9.650  15.786  -6.776
  771   HD12  LEU  98          HD12      LEU  98   8.241  16.817  -6.435
  772   HD13  LEU  98          HD13      LEU  98   8.688  15.541  -5.301
  773   HD21  LEU  98          HD21      LEU  98   6.947  14.650  -9.106
  774   HD22  LEU  98          HD22      LEU  98   7.191  16.319  -8.569
  775   HD23  LEU  98          HD23      LEU  98   8.590  15.324  -9.033
  776    H    SER  99           H        SER  99   6.791  10.765  -5.351
  777    HA   SER  99           HA       SER  99   4.728  10.428  -4.511
  778    HB2  SER  99           HB2      SER  99   5.676  12.289  -2.315
  779    HB3  SER  99           HB3      SER  99   4.303  11.167  -2.231
  780    HG   SER  99           HG       SER  99   6.277  10.288  -1.351
  781    H    THR 100           H        THR 100   3.928  11.509  -6.450
  782    HA   THR 100           HA       THR 100   2.975  14.175  -6.499
  783    HB   THR 100           HB       THR 100   3.275  12.710  -8.460
  784    HG1  THR 100           HG1      THR 100   1.556  13.606  -9.580
  785   HG21  THR 100          HG21      THR 100   0.545  11.528  -7.782
  786   HG22  THR 100          HG22      THR 100   1.524  11.216  -9.228
  787   HG23  THR 100          HG23      THR 100   2.089  10.654  -7.651
  788    H    GLY 101           H        GLY 101   1.438  11.336  -5.086
  789    HA2  GLY 101           HA2      GLY 101  -1.143  12.576  -4.559
  790    HA3  GLY 101           HA3      GLY 101  -0.551  11.035  -3.943
  791    H    ASP 102           H        ASP 102   0.933  14.244  -3.565
  792    HA   ASP 102           HA       ASP 102   1.842  15.333  -1.836
  793    HB2  ASP 102           HB2      ASP 102  -0.768  15.425  -1.469
  794    HB3  ASP 102           HB3      ASP 102  -0.393  14.535   0.000
  795    H    LEU 103           H        LEU 103   2.087  15.039   0.911
  796    HA   LEU 103           HA       LEU 103   4.171  13.058   1.074
  797    HB2  LEU 103           HB2      LEU 103   4.195  15.146   2.396
  798    HB3  LEU 103           HB3      LEU 103   2.744  14.606   3.253
  799    HG   LEU 103           HG       LEU 103   4.114  12.566   4.044
  800   HD11  LEU 103          HD11      LEU 103   6.435  14.336   3.147
  801   HD12  LEU 103          HD12      LEU 103   6.555  12.838   4.090
  802   HD13  LEU 103          HD13      LEU 103   6.006  12.779   2.410
  803   HD21  LEU 103          HD21      LEU 103   3.553  14.400   5.506
  804   HD22  LEU 103          HD22      LEU 103   5.212  13.869   5.818
  805   HD23  LEU 103          HD23      LEU 103   4.927  15.362   4.897
  806    H    ALA 104           H        ALA 104   4.112  11.049   1.656
  807    HA   ALA 104           HA       ALA 104   2.053   9.773   3.237
  808    HB1  ALA 104           HB1      ALA 104   2.074   9.268   0.208
  809    HB2  ALA 104           HB2      ALA 104   0.993   8.474   1.378
  810    HB3  ALA 104           HB3      ALA 104   0.829  10.203   1.053
  811    H    HIS 105           H        HIS 105   5.038   9.708   3.114
  812    HA   HIS 105           HA       HIS 105   5.490   6.775   2.783
  813    HB2  HIS 105           HB2      HIS 105   5.837   7.703   0.558
  814    HB3  HIS 105           HB3      HIS 105   6.983   8.884   1.187
  815    HD2  HIS 105           HD2      HIS 105   9.454   8.187   0.942
  816    HE1  HIS 105           HE1      HIS 105   9.045   3.942   0.832
  817    HE2  HIS 105           HE2      HIS 105  10.695   5.876   0.682
  818    H    ASP 106           H        ASP 106   7.455   9.762   3.342
  819    HA   ASP 106           HA       ASP 106   8.615   8.567   5.783
  820    HB2  ASP 106           HB2      ASP 106   9.893   7.536   3.946
  821    HB3  ASP 106           HB3      ASP 106  10.243   9.125   3.267
  822    H    GLU 107           H        GLU 107   7.861  10.279   6.924
  823    HA   GLU 107           HA       GLU 107   7.947  12.984   6.087
  824    HB2  GLU 107           HB2      GLU 107   7.716  12.046   8.965
  825    HB3  GLU 107           HB3      GLU 107   7.129  13.540   8.245
  826    HG2  GLU 107           HG2      GLU 107   5.155  12.456   8.231
  827    HG3  GLU 107           HG3      GLU 107   5.735  11.797   6.708
  828    H    PHE 108           H        PHE 108  10.159  11.278   8.326
  829    HA   PHE 108           HA       PHE 108  12.162  13.448   8.151
  830    HB2  PHE 108           HB2      PHE 108  10.952  12.475  10.769
  831    HB3  PHE 108           HB3      PHE 108  12.391  13.469  10.630
  832    HD1  PHE 108           HD1      PHE 108   8.757  13.478  10.700
  833    HD2  PHE 108           HD2      PHE 108  12.228  15.802   9.640
  834    HE1  PHE 108           HE1      PHE 108   7.374  15.545  10.708
  835    HE2  PHE 108           HE2      PHE 108  10.845  17.871   9.652
  836    HZ   PHE 108           HZ       PHE 108   8.417  17.743  10.182
  Start of MODEL   17
    1    H1   ALA   1           H1       ALA   1  -3.502  -9.458  -6.018
    2    H2   ALA   1           H2       ALA   1  -4.378  -8.532  -4.989
    3    H3   ALA   1           H3       ALA   1  -4.111 -10.109  -4.643
    4    HA   ALA   1           HA       ALA   1  -2.713  -8.715  -3.274
    5    HB1  ALA   1           HB1      ALA   1  -1.120 -10.299  -5.349
    6    HB2  ALA   1           HB2      ALA   1  -0.558  -9.814  -3.733
    7    HB3  ALA   1           HB3      ALA   1  -1.886 -10.970  -3.892
    8    H    VAL   2           H        VAL   2  -0.747  -7.354  -3.174
    9    HA   VAL   2           HA       VAL   2  -0.402  -5.473  -5.478
   10    HB   VAL   2           HB       VAL   2  -0.794  -4.661  -2.567
   11   HG11  VAL   2          HG11      VAL   2  -0.394  -2.966  -5.075
   12   HG12  VAL   2          HG12      VAL   2  -0.843  -2.341  -3.476
   13   HG13  VAL   2          HG13      VAL   2   0.726  -3.102  -3.696
   14   HG21  VAL   2          HG21      VAL   2  -2.961  -5.268  -3.531
   15   HG22  VAL   2          HG22      VAL   2  -2.852  -3.518  -3.386
   16   HG23  VAL   2          HG23      VAL   2  -2.628  -4.282  -4.975
   17    H    GLU   3           H        GLU   3   1.647  -4.650  -5.730
   18    HA   GLU   3           HA       GLU   3   3.906  -4.615  -5.699
   19    HB2  GLU   3           HB2      GLU   3   3.163  -3.178  -3.758
   20    HB3  GLU   3           HB3      GLU   3   3.661  -4.482  -2.682
   21    HG2  GLU   3           HG2      GLU   3   5.987  -4.308  -3.646
   22    HG3  GLU   3           HG3      GLU   3   5.426  -3.006  -4.693
   23    H    VAL   4           H        VAL   4   3.465  -6.975  -6.438
   24    HA   VAL   4           HA       VAL   4   4.900  -8.951  -4.706
   25    HB   VAL   4           HB       VAL   4   3.065  -9.438  -7.076
   26   HG11  VAL   4          HG11      VAL   4   4.248 -11.387  -5.048
   27   HG12  VAL   4          HG12      VAL   4   3.056 -11.790  -6.301
   28   HG13  VAL   4          HG13      VAL   4   4.678 -11.297  -6.772
   29   HG21  VAL   4          HG21      VAL   4   1.745  -8.594  -5.194
   30   HG22  VAL   4          HG22      VAL   4   1.473 -10.327  -5.378
   31   HG23  VAL   4          HG23      VAL   4   2.544  -9.735  -4.088
   32    H    GLU   5           H        GLU   5   6.599 -10.145  -5.554
   33    HA   GLU   5           HA       GLU   5   8.256  -8.879  -7.571
   34    HB2  GLU   5           HB2      GLU   5   9.860 -10.654  -7.031
   35    HB3  GLU   5           HB3      GLU   5   9.328  -9.737  -5.640
   36    HG2  GLU   5           HG2      GLU   5   7.930 -12.354  -6.244
   37    HG3  GLU   5           HG3      GLU   5   9.560 -12.385  -5.588
   38    H    VAL   6           H        VAL   6   6.098  -9.327  -8.946
   39    HA   VAL   6           HA       VAL   6   5.947 -11.812 -10.403
   40    HB   VAL   6           HB       VAL   6   4.676  -9.088 -10.703
   41   HG11  VAL   6          HG11      VAL   6   4.282 -11.477 -12.572
   42   HG12  VAL   6          HG12      VAL   6   3.227 -10.049 -12.491
   43   HG13  VAL   6          HG13      VAL   6   4.894  -9.870 -13.034
   44   HG21  VAL   6          HG21      VAL   6   3.877 -10.623  -8.943
   45   HG22  VAL   6          HG22      VAL   6   2.647 -10.339 -10.179
   46   HG23  VAL   6          HG23      VAL   6   3.556 -11.867 -10.164
   47    HA   PRO   7           HA       PRO   7   8.421  -9.884 -13.919
   48    HB2  PRO   7           HB2      PRO   7   9.505  -7.428 -13.944
   49    HB3  PRO   7           HB3      PRO   7   7.758  -7.653 -14.209
   50    HG2  PRO   7           HG2      PRO   7   9.135  -6.990 -11.587
   51    HG3  PRO   7           HG3      PRO   7   7.762  -6.118 -12.348
   52    HD2  PRO   7           HD2      PRO   7   7.384  -8.015 -10.433
   53    HD3  PRO   7           HD3      PRO   7   6.250  -7.844 -11.808
   54    H    GLY   8           H        GLY   8  10.693  -9.581 -14.470
   55    HA2  GLY   8           HA2      GLY   8  12.942  -8.988 -13.228
   56    HA3  GLY   8           HA3      GLY   8  12.585 -10.453 -12.322
   57    H    LEU   9           H        LEU   9  14.810  -9.734 -14.232
   58    HA   LEU   9           HA       LEU   9  14.832 -12.322 -15.601
   59    HB2  LEU   9           HB2      LEU   9  15.457 -11.449 -17.806
   60    HB3  LEU   9           HB3      LEU   9  13.823 -11.111 -17.298
   61    HG   LEU   9           HG       LEU   9  14.507  -8.748 -16.768
   62   HD11  LEU   9          HD11      LEU   9  17.017  -9.508 -18.315
   63   HD12  LEU   9          HD12      LEU   9  16.502  -7.845 -17.954
   64   HD13  LEU   9          HD13      LEU   9  16.940  -8.940 -16.638
   65   HD21  LEU   9          HD21      LEU   9  13.312  -9.369 -18.822
   66   HD22  LEU   9          HD22      LEU   9  14.449  -8.048 -19.125
   67   HD23  LEU   9          HD23      LEU   9  14.858  -9.701 -19.631
   68    H    LEU  10           H        LEU  10  16.232 -11.515 -13.320
   69    HA   LEU  10           HA       LEU  10  19.016 -10.976 -13.884
   70    HB2  LEU  10           HB2      LEU  10  17.581 -12.335 -11.580
   71    HB3  LEU  10           HB3      LEU  10  19.319 -12.301 -11.670
   72    HG   LEU  10           HG       LEU  10  17.852  -9.682 -11.918
   73   HD11  LEU  10          HD11      LEU  10  18.390 -11.124  -9.288
   74   HD12  LEU  10          HD12      LEU  10  17.891  -9.425  -9.450
   75   HD13  LEU  10          HD13      LEU  10  16.795 -10.719  -9.960
   76   HD21  LEU  10          HD21      LEU  10  20.348  -9.799 -12.145
   77   HD22  LEU  10          HD22      LEU  10  19.835  -8.810 -10.765
   78   HD23  LEU  10          HD23      LEU  10  20.435 -10.455 -10.484
   79    H    THR  11           H        THR  11  20.301 -12.165 -15.050
   80    HA   THR  11           HA       THR  11  20.108 -15.132 -14.909
   81    HB   THR  11           HB       THR  11  20.787 -13.402 -17.301
   82    HG1  THR  11           HG1      THR  11  18.992 -14.439 -18.158
   83   HG21  THR  11          HG21      THR  11  21.061 -16.416 -16.933
   84   HG22  THR  11          HG22      THR  11  20.998 -15.613 -18.515
   85   HG23  THR  11          HG23      THR  11  22.324 -15.249 -17.410
   86    H    ASP  12           H        ASP  12  21.897 -16.265 -14.590
   87    HA   ASP  12           HA       ASP  12  24.314 -15.025 -13.604
   88    HB2  ASP  12           HB2      ASP  12  25.012 -17.305 -13.181
   89    HB3  ASP  12           HB3      ASP  12  23.399 -17.018 -12.566
   90    H    HIS  13           H        HIS  13  24.374 -13.836 -15.830
   91    HA   HIS  13           HA       HIS  13  25.881 -15.283 -17.928
   92    HB2  HIS  13           HB2      HIS  13  24.906 -12.431 -17.626
   93    HB3  HIS  13           HB3      HIS  13  26.023 -12.904 -18.901
   94    HD2  HIS  13           HD2      HIS  13  24.795 -15.500 -20.055
   95    HE1  HIS  13           HE1      HIS  13  21.211 -13.253 -20.594
   96    HE2  HIS  13           HE2      HIS  13  22.492 -15.332 -21.321
   97    H    THR  14           H        THR  14  27.055 -15.655 -15.535
   98    HA   THR  14           HA       THR  14  29.501 -14.029 -15.638
   99    HB   THR  14           HB       THR  14  29.596 -14.006 -13.169
  100    HG1  THR  14           HG1      THR  14  27.694 -14.492 -12.039
  101   HG21  THR  14          HG21      THR  14  26.967 -12.791 -14.086
  102   HG22  THR  14          HG22      THR  14  27.988 -12.285 -12.727
  103   HG23  THR  14          HG23      THR  14  28.559 -12.061 -14.387
  104    H    VAL  15           H        VAL  15  31.445 -15.105 -15.443
  105    HA   VAL  15           HA       VAL  15  31.371 -18.037 -14.884
  106    HB   VAL  15           HB       VAL  15  32.736 -18.466 -16.869
  107   HG11  VAL  15          HG11      VAL  15  30.115 -17.101 -17.548
  108   HG12  VAL  15          HG12      VAL  15  30.940 -18.378 -18.465
  109   HG13  VAL  15          HG13      VAL  15  30.279 -18.728 -16.856
  110   HG21  VAL  15          HG21      VAL  15  33.718 -16.226 -17.294
  111   HG22  VAL  15          HG22      VAL  15  32.882 -16.866 -18.713
  112   HG23  VAL  15          HG23      VAL  15  32.112 -15.604 -17.729
  113    H    SER  16           H        SER  16  32.254 -16.124 -13.099
  114    HA   SER  16           HA       SER  16  35.215 -16.672 -12.911
  115    HB2  SER  16           HB2      SER  16  35.193 -14.407 -13.402
  116    HB3  SER  16           HB3      SER  16  33.649 -14.134 -12.583
  117    HG   SER  16           HG       SER  16  36.208 -14.118 -11.535
  118    H    SER  17           H        SER  17  36.078 -17.083 -10.821
  119    HA   SER  17           HA       SER  17  34.464 -18.428  -8.942
  120    HB2  SER  17           HB2      SER  17  37.107 -17.010  -8.424
  121    HB3  SER  17           HB3      SER  17  36.394 -18.310  -7.448
  122    HG   SER  17           HG       SER  17  37.959 -19.120  -8.937
  123    H    ILE  18           H        ILE  18  35.314 -14.979  -9.062
  124    HA   ILE  18           HA       ILE  18  33.629 -14.408  -6.659
  125    HB   ILE  18           HB       ILE  18  34.365 -11.962  -7.367
  126   HG12  ILE  18          HG12      ILE  18  36.790 -13.550  -8.308
  127   HG13  ILE  18          HG13      ILE  18  35.572 -12.844  -9.388
  128   HG21  ILE  18          HG21      ILE  18  36.188 -13.881  -5.870
  129   HG22  ILE  18          HG22      ILE  18  36.128 -12.107  -5.691
  130   HG23  ILE  18          HG23      ILE  18  34.750 -13.078  -5.197
  131   HD11  ILE  18          HD11      ILE  18  37.128 -11.132  -7.483
  132   HD12  ILE  18          HD12      ILE  18  37.666 -11.541  -9.132
  133   HD13  ILE  18          HD13      ILE  18  36.155 -10.681  -8.905
  134    H    GLY  19           H        GLY  19  33.648 -13.748 -10.215
  135    HA2  GLY  19           HA2      GLY  19  31.337 -12.036 -10.080
  136    HA3  GLY  19           HA3      GLY  19  31.955 -12.837 -11.522
  137    H    HIS  20           H        HIS  20  31.564 -15.581 -10.323
  138    HA   HIS  20           HA       HIS  20  28.761 -16.072 -10.854
  139    HB2  HIS  20           HB2      HIS  20  30.514 -17.744 -11.252
  140    HB3  HIS  20           HB3      HIS  20  30.862 -17.808  -9.520
  141    HD2  HIS  20           HD2      HIS  20  29.404 -19.407  -8.052
  142    HE1  HIS  20           HE1      HIS  20  26.506 -20.548 -10.970
  143    HE2  HIS  20           HE2      HIS  20  27.382 -21.003  -8.622
  144    H    ASP  21           H        ASP  21  30.699 -15.551  -7.864
  145    HA   ASP  21           HA       ASP  21  28.476 -16.174  -6.081
  146    HB2  ASP  21           HB2      ASP  21  31.227 -14.948  -5.690
  147    HB3  ASP  21           HB3      ASP  21  30.025 -15.015  -4.409
  148    H    PHE  22           H        PHE  22  29.836 -13.156  -7.523
  149    HA   PHE  22           HA       PHE  22  28.217 -11.290  -6.130
  150    HB2  PHE  22           HB2      PHE  22  30.020 -10.710  -7.763
  151    HB3  PHE  22           HB3      PHE  22  28.996 -11.223  -9.077
  152    HD1  PHE  22           HD1      PHE  22  29.652  -8.494  -6.673
  153    HD2  PHE  22           HD2      PHE  22  26.876 -10.003  -9.587
  154    HE1  PHE  22           HE1      PHE  22  28.639  -6.239  -6.882
  155    HE2  PHE  22           HE2      PHE  22  25.806  -7.768  -9.738
  156    HZ   PHE  22           HZ       PHE  22  26.714  -5.880  -8.418
  157    H    TYR  23           H        TYR  23  27.366 -13.236  -9.026
  158    HA   TYR  23           HA       TYR  23  24.790 -12.177  -9.479
  159    HB2  TYR  23           HB2      TYR  23  25.800 -13.762 -11.020
  160    HB3  TYR  23           HB3      TYR  23  25.780 -15.034  -9.790
  161    HD1  TYR  23           HD1      TYR  23  23.877 -16.406  -9.449
  162    HD2  TYR  23           HD2      TYR  23  23.572 -12.838 -11.836
  163    HE1  TYR  23           HE1      TYR  23  21.517 -16.980  -9.995
  164    HE2  TYR  23           HE2      TYR  23  21.193 -13.369 -12.327
  165    HH   TYR  23           HH       TYR  23  19.587 -16.324 -11.084
  166    H    ARG  24           H        ARG  24  25.618 -14.951  -7.367
  167    HA   ARG  24           HA       ARG  24  22.916 -15.347  -6.422
  168    HB2  ARG  24           HB2      ARG  24  25.528 -16.256  -5.120
  169    HB3  ARG  24           HB3      ARG  24  23.907 -16.889  -4.822
  170    HG2  ARG  24           HG2      ARG  24  23.859 -17.495  -7.345
  171    HG3  ARG  24           HG3      ARG  24  25.581 -17.136  -7.353
  172    HD2  ARG  24           HD2      ARG  24  25.380 -19.490  -7.069
  173    HD3  ARG  24           HD3      ARG  24  25.918 -18.812  -5.522
  174    HE   ARG  24           HE       ARG  24  23.017 -19.059  -5.687
  175   HH11  ARG  24          HH11      ARG  24  25.860 -21.008  -5.035
  176   HH12  ARG  24          HH12      ARG  24  24.960 -22.169  -4.100
  177   HH21  ARG  24          HH21      ARG  24  21.936 -20.566  -4.467
  178   HH22  ARG  24          HH22      ARG  24  22.792 -21.921  -3.796
  179    H    ALA  25           H        ALA  25  25.728 -13.715  -4.969
  180    HA   ALA  25           HA       ALA  25  24.413 -12.995  -2.523
  181    HB1  ALA  25           HB1      ALA  25  26.744 -11.627  -3.937
  182    HB2  ALA  25           HB2      ALA  25  26.347 -11.546  -2.203
  183    HB3  ALA  25           HB3      ALA  25  26.896 -13.075  -2.910
  184    H    PHE  26           H        PHE  26  24.752 -11.164  -5.626
  185    HA   PHE  26           HA       PHE  26  23.428  -8.816  -4.692
  186    HB2  PHE  26           HB2      PHE  26  24.790  -8.871  -6.715
  187    HB3  PHE  26           HB3      PHE  26  23.725 -10.024  -7.477
  188    HD1  PHE  26           HD1      PHE  26  24.517  -6.559  -7.134
  189    HD2  PHE  26           HD2      PHE  26  21.215  -9.233  -7.885
  190    HE1  PHE  26           HE1      PHE  26  23.240  -4.708  -8.206
  191    HE2  PHE  26           HE2      PHE  26  19.930  -7.376  -8.865
  192    HZ   PHE  26           HZ       PHE  26  20.932  -5.123  -9.060
  193    H    SER  27           H        SER  27  22.112 -11.696  -6.453
  194    HA   SER  27           HA       SER  27  19.437 -10.701  -6.487
  195    HB2  SER  27           HB2      SER  27  18.758 -12.858  -7.236
  196    HB3  SER  27           HB3      SER  27  20.287 -12.434  -8.026
  197    HG   SER  27           HG       SER  27  20.242 -14.617  -7.235
  198    H    ASP  28           H        ASP  28  21.143 -12.595  -4.019
  199    HA   ASP  28           HA       ASP  28  18.918 -13.277  -2.388
  200    HB2  ASP  28           HB2      ASP  28  21.880 -12.868  -1.931
  201    HB3  ASP  28           HB3      ASP  28  20.824 -13.066  -0.549
  202    H    LYS  29           H        LYS  29  20.721 -10.191  -2.564
  203    HA   LYS  29           HA       LYS  29  18.767  -9.073  -0.585
  204    HB2  LYS  29           HB2      LYS  29  20.657  -7.177  -0.516
  205    HB3  LYS  29           HB3      LYS  29  20.485  -8.475   0.614
  206    HG2  LYS  29           HG2      LYS  29  22.298  -8.724  -1.809
  207    HG3  LYS  29           HG3      LYS  29  22.816  -7.871  -0.366
  208    HD2  LYS  29           HD2      LYS  29  22.027 -10.809  -0.423
  209    HD3  LYS  29           HD3      LYS  29  23.665 -10.164  -0.404
  210    HE2  LYS  29           HE2      LYS  29  23.212  -9.056   1.789
  211    HE3  LYS  29           HE3      LYS  29  21.588  -9.750   1.801
  212    HZ1  LYS  29           HZ1      LYS  29  24.111 -11.345   1.818
  213    HZ2  LYS  29           HZ2      LYS  29  23.132 -11.106   3.100
  214    HZ3  LYS  29           HZ3      LYS  29  22.598 -11.981   1.833
  215    H    TRP  30           H        TRP  30  19.089  -9.103  -3.817
  216    HA   TRP  30           HA       TRP  30  18.605  -6.423  -4.557
  217    HB2  TRP  30           HB2      TRP  30  19.214  -8.125  -6.166
  218    HB3  TRP  30           HB3      TRP  30  17.703  -8.996  -5.878
  219    HD1  TRP  30           HD1      TRP  30  15.955  -8.543  -7.658
  220    HE1  TRP  30           HE1      TRP  30  15.307  -6.616  -9.220
  221    HE3  TRP  30           HE3      TRP  30  19.508  -5.134  -6.250
  222    HZ2  TRP  30           HZ2      TRP  30  16.182  -3.913  -9.746
  223    HZ3  TRP  30           HZ3      TRP  30  19.528  -2.871  -7.236
  224    HH2  TRP  30           HH2      TRP  30  17.904  -2.246  -9.004
  225    H    GLU  31           H        GLU  31  16.991  -5.069  -4.461
  226    HA   GLU  31           HA       GLU  31  14.219  -5.809  -4.690
  227    HB2  GLU  31           HB2      GLU  31  14.568  -6.126  -2.224
  228    HB3  GLU  31           HB3      GLU  31  15.147  -4.463  -2.101
  229    HG2  GLU  31           HG2      GLU  31  12.935  -3.633  -2.844
  230    HG3  GLU  31           HG3      GLU  31  12.376  -5.291  -3.076
  231    H    SER  32           H        SER  32  13.162  -4.092  -5.721
  232    HA   SER  32           HA       SER  32  14.173  -1.352  -5.452
  233    HB2  SER  32           HB2      SER  32  15.512  -2.494  -7.293
  234    HB3  SER  32           HB3      SER  32  14.018  -2.380  -8.253
  235    HG   SER  32           HG       SER  32  15.561  -0.306  -7.020
  236    H    ASP  33           H        ASP  33  12.832   0.220  -6.672
  237    HA   ASP  33           HA       ASP  33  10.000  -0.352  -6.132
  238    HB2  ASP  33           HB2      ASP  33  11.179   1.726  -5.411
  239    HB3  ASP  33           HB3      ASP  33  11.338   2.194  -7.105
  240    H    TYR  34           H        TYR  34  11.976  -0.086  -8.992
  241    HA   TYR  34           HA       TYR  34   9.721   0.281 -10.847
  242    HB2  TYR  34           HB2      TYR  34  11.302   0.667 -12.498
  243    HB3  TYR  34           HB3      TYR  34  11.994   1.410 -11.077
  244    HD1  TYR  34           HD1      TYR  34  12.690  -0.724 -13.850
  245    HD2  TYR  34           HD2      TYR  34  13.676  -0.092  -9.699
  246    HE1  TYR  34           HE1      TYR  34  14.639  -2.193 -14.088
  247    HE2  TYR  34           HE2      TYR  34  15.613  -1.596  -9.910
  248    HH   TYR  34           HH       TYR  34  16.464  -3.148 -13.059
  249    H    THR  35           H        THR  35  10.440  -1.233 -13.015
  250    HA   THR  35           HA       THR  35   9.109  -3.688 -12.418
  251    HB   THR  35           HB       THR  35  10.453  -3.186 -15.056
  252    HG1  THR  35           HG1      THR  35   8.797  -1.723 -15.588
  253   HG21  THR  35          HG21      THR  35   7.621  -4.045 -14.267
  254   HG22  THR  35          HG22      THR  35   8.240  -3.922 -15.930
  255   HG23  THR  35          HG23      THR  35   8.910  -5.129 -14.834
  256    H    GLY  36           H        GLY  36  12.430  -3.090 -12.044
  257    HA2  GLY  36           HA2      GLY  36  14.148  -4.516 -11.536
  258    HA3  GLY  36           HA3      GLY  36  12.902  -5.752 -11.266
  259    H    ASN  37           H        ASN  37  13.387  -4.392 -14.459
  260    HA   ASN  37           HA       ASN  37  14.108  -7.059 -15.447
  261    HB2  ASN  37           HB2      ASN  37  13.625  -4.494 -16.985
  262    HB3  ASN  37           HB3      ASN  37  13.798  -6.115 -17.664
  263   HD21  ASN  37          HD21      ASN  37  10.522  -7.151 -16.423
  264   HD22  ASN  37          HD22      ASN  37  12.162  -7.778 -16.362
  265    H    LEU  38           H        LEU  38  16.123  -6.940 -14.185
  266    HA   LEU  38           HA       LEU  38  18.356  -5.810 -15.815
  267    HB2  LEU  38           HB2      LEU  38  19.576  -5.184 -13.995
  268    HB3  LEU  38           HB3      LEU  38  17.959  -4.623 -13.615
  269    HG   LEU  38           HG       LEU  38  19.376  -7.065 -12.432
  270   HD11  LEU  38          HD11      LEU  38  18.621  -4.346 -11.320
  271   HD12  LEU  38          HD12      LEU  38  19.142  -5.705 -10.320
  272   HD13  LEU  38          HD13      LEU  38  20.254  -5.040 -11.512
  273   HD21  LEU  38          HD21      LEU  38  16.939  -7.512 -12.459
  274   HD22  LEU  38          HD22      LEU  38  17.523  -7.200 -10.830
  275   HD23  LEU  38          HD23      LEU  38  16.648  -5.921 -11.699
  276    H    THR  39           H        THR  39  20.334  -6.873 -15.937
  277    HA   THR  39           HA       THR  39  20.532  -9.603 -14.785
  278    HB   THR  39           HB       THR  39  19.677  -9.790 -17.127
  279    HG1  THR  39           HG1      THR  39  21.474 -11.357 -17.541
  280   HG21  THR  39          HG21      THR  39  22.496  -8.956 -17.910
  281   HG22  THR  39          HG22      THR  39  21.223  -9.586 -18.976
  282   HG23  THR  39          HG23      THR  39  21.017  -8.007 -18.203
  283    H    ILE  40           H        ILE  40  22.774 -10.467 -14.968
  284    HA   ILE  40           HA       ILE  40  24.734  -8.286 -14.282
  285    HB   ILE  40           HB       ILE  40  24.264 -10.970 -12.963
  286   HG12  ILE  40          HG12      ILE  40  24.047  -8.210 -11.675
  287   HG13  ILE  40          HG13      ILE  40  22.658  -9.013 -12.395
  288   HG21  ILE  40          HG21      ILE  40  26.311  -8.878 -12.084
  289   HG22  ILE  40          HG22      ILE  40  26.087 -10.544 -11.483
  290   HG23  ILE  40          HG23      ILE  40  26.736 -10.283 -13.074
  291   HD11  ILE  40          HD11      ILE  40  24.302 -10.129 -10.106
  292   HD12  ILE  40          HD12      ILE  40  22.670  -9.438 -10.033
  293   HD13  ILE  40          HD13      ILE  40  22.927 -10.945 -10.908
  294    H    ASN  41           H        ASN  41  26.542  -8.348 -15.412
  295    HA   ASN  41           HA       ASN  41  27.293 -10.813 -16.919
  296    HB2  ASN  41           HB2      ASN  41  27.776  -7.949 -17.814
  297    HB3  ASN  41           HB3      ASN  41  27.902  -9.419 -18.765
  298   HD21  ASN  41          HD21      ASN  41  24.271  -7.530 -18.292
  299   HD22  ASN  41          HD22      ASN  41  25.646  -7.120 -17.270
  300    H    GLU  42           H        GLU  42  29.565 -11.352 -16.810
  301    HA   GLU  42           HA       GLU  42  31.301  -9.262 -15.639
  302    HB2  GLU  42           HB2      GLU  42  32.366 -10.676 -14.089
  303    HB3  GLU  42           HB3      GLU  42  30.655 -10.971 -13.903
  304    HG2  GLU  42           HG2      GLU  42  31.417 -13.115 -13.878
  305    HG3  GLU  42           HG3      GLU  42  31.126 -12.914 -15.612
  306    H    ARG  43           H        ARG  43  33.499  -9.292 -16.151
  307    HA   ARG  43           HA       ARG  43  34.248 -11.035 -18.445
  308    HB2  ARG  43           HB2      ARG  43  33.991  -8.601 -19.119
  309    HB3  ARG  43           HB3      ARG  43  35.316  -8.232 -18.026
  310    HG2  ARG  43           HG2      ARG  43  36.311  -8.403 -20.153
  311    HG3  ARG  43           HG3      ARG  43  36.745  -9.908 -19.333
  312    HD2  ARG  43           HD2      ARG  43  34.865 -11.056 -20.550
  313    HD3  ARG  43           HD3      ARG  43  34.497  -9.521 -21.362
  314    HE   ARG  43           HE       ARG  43  37.260 -10.174 -21.753
  315   HH11  ARG  43          HH11      ARG  43  34.119 -11.258 -22.892
  316   HH12  ARG  43          HH12      ARG  43  34.770 -11.851 -24.394
  317   HH21  ARG  43          HH21      ARG  43  38.016 -10.954 -23.694
  318   HH22  ARG  43          HH22      ARG  43  36.919 -11.680 -24.830
  319    HA   PRO  44           HA       PRO  44  37.106 -12.232 -15.235
  320    HB2  PRO  44           HB2      PRO  44  38.003 -14.559 -16.322
  321    HB3  PRO  44           HB3      PRO  44  36.352 -14.380 -15.666
  322    HG2  PRO  44           HG2      PRO  44  37.263 -14.184 -18.553
  323    HG3  PRO  44           HG3      PRO  44  35.874 -15.110 -17.892
  324    HD2  PRO  44           HD2      PRO  44  35.594 -12.633 -18.999
  325    HD3  PRO  44           HD3      PRO  44  34.572 -13.186 -17.640
  326    H    SER  45           H        SER  45  39.037 -11.319 -14.927
  327    HA   SER  45           HA       SER  45  40.943 -10.933 -17.197
  328    HB2  SER  45           HB2      SER  45  39.792  -8.780 -15.376
  329    HB3  SER  45           HB3      SER  45  41.157  -8.555 -16.494
  330    HG   SER  45           HG       SER  45  39.209  -7.900 -17.483
  331    H    ALA  46           H        ALA  46  42.416 -12.347 -16.349
  332    HA   ALA  46           HA       ALA  46  42.980 -12.720 -13.649
  333    HB1  ALA  46           HB1      ALA  46  44.726 -13.324 -16.078
  334    HB2  ALA  46           HB2      ALA  46  44.859 -14.095 -14.483
  335    HB3  ALA  46           HB3      ALA  46  43.402 -14.344 -15.461
  336    H    ARG  47           H        ARG  47  44.102 -10.078 -15.483
  337    HA   ARG  47           HA       ARG  47  46.428  -9.238 -14.090
  338    HB2  ARG  47           HB2      ARG  47  45.786  -6.983 -14.718
  339    HB3  ARG  47           HB3      ARG  47  45.464  -8.089 -16.050
  340    HG2  ARG  47           HG2      ARG  47  43.036  -8.160 -15.307
  341    HG3  ARG  47           HG3      ARG  47  43.393  -6.894 -14.136
  342    HD2  ARG  47           HD2      ARG  47  43.822  -6.629 -17.140
  343    HD3  ARG  47           HD3      ARG  47  42.361  -6.109 -16.279
  344    HE   ARG  47           HE       ARG  47  44.614  -4.904 -15.013
  345   HH11  ARG  47          HH11      ARG  47  42.856  -4.603 -18.036
  346   HH12  ARG  47          HH12      ARG  47  43.254  -2.916 -18.204
  347   HH21  ARG  47          HH21      ARG  47  45.096  -2.748 -15.303
  348   HH22  ARG  47          HH22      ARG  47  44.492  -1.902 -16.696
  349    H    ALA  48           H        ALA  48  43.083  -9.323 -12.927
  350    HA   ALA  48           HA       ALA  48  43.994  -8.731 -10.193
  351    HB1  ALA  48           HB1      ALA  48  42.166  -6.798 -11.690
  352    HB2  ALA  48           HB2      ALA  48  42.548  -6.729  -9.956
  353    HB3  ALA  48           HB3      ALA  48  43.821  -6.476 -11.149
  354    H    GLY  49           H        GLY  49  41.328  -9.867 -12.295
  355    HA2  GLY  49           HA2      GLY  49  40.074 -11.603 -10.655
  356    HA3  GLY  49           HA3      GLY  49  39.451 -10.088 -10.011
  357    H    SER  50           H        SER  50  37.577  -9.340 -10.906
  358    HA   SER  50           HA       SER  50  36.983  -9.943 -13.754
  359    HB2  SER  50           HB2      SER  50  34.596 -10.354 -13.140
  360    HB3  SER  50           HB3      SER  50  35.711 -11.653 -12.692
  361    HG   SER  50           HG       SER  50  34.350 -11.257 -10.973
  362    H    TRP  51           H        TRP  51  35.775  -8.480 -14.854
  363    HA   TRP  51           HA       TRP  51  34.985  -5.929 -13.511
  364    HB2  TRP  51           HB2      TRP  51  35.320  -6.835 -16.339
  365    HB3  TRP  51           HB3      TRP  51  33.944  -5.801 -16.021
  366    HD1  TRP  51           HD1      TRP  51  37.594  -5.645 -16.606
  367    HE1  TRP  51           HE1      TRP  51  38.437  -3.231 -16.414
  368    HE3  TRP  51           HE3      TRP  51  33.430  -3.519 -14.516
  369    HZ2  TRP  51           HZ2      TRP  51  37.388  -0.666 -15.556
  370    HZ3  TRP  51           HZ3      TRP  51  33.387  -1.079 -14.025
  371    HH2  TRP  51           HH2      TRP  51  35.333   0.348 -14.553
  372    H    ILE  52           H        ILE  52  32.929  -5.692 -12.781
  373    HA   ILE  52           HA       ILE  52  30.818  -7.643 -13.645
  374    HB   ILE  52           HB       ILE  52  30.894  -5.899 -11.150
  375   HG12  ILE  52          HG12      ILE  52  32.555  -7.625 -10.857
  376   HG13  ILE  52          HG13      ILE  52  31.146  -7.967  -9.864
  377   HG21  ILE  52          HG21      ILE  52  28.907  -8.023 -12.095
  378   HG22  ILE  52          HG22      ILE  52  28.954  -7.328 -10.461
  379   HG23  ILE  52          HG23      ILE  52  28.600  -6.287 -11.835
  380   HD11  ILE  52          HD11      ILE  52  31.713  -9.292 -12.541
  381   HD12  ILE  52          HD12      ILE  52  32.122  -9.989 -10.983
  382   HD13  ILE  52          HD13      ILE  52  30.415  -9.731 -11.415
  383    H    THR  53           H        THR  53  29.183  -6.895 -14.783
  384    HA   THR  53           HA       THR  53  28.653  -3.953 -14.965
  385    HB   THR  53           HB       THR  53  28.928  -5.872 -17.316
  386    HG1  THR  53           HG1      THR  53  30.778  -4.668 -17.771
  387   HG21  THR  53          HG21      THR  53  28.526  -2.849 -17.249
  388   HG22  THR  53          HG22      THR  53  28.740  -3.840 -18.701
  389   HG23  THR  53          HG23      THR  53  27.277  -4.025 -17.721
  390    H    ILE  54           H        ILE  54  26.593  -3.621 -14.412
  391    HA   ILE  54           HA       ILE  54  24.596  -5.796 -14.863
  392    HB   ILE  54           HB       ILE  54  24.722  -5.375 -12.614
  393   HG12  ILE  54          HG12      ILE  54  22.404  -5.591 -13.471
  394   HG13  ILE  54          HG13      ILE  54  22.587  -4.799 -11.918
  395   HG21  ILE  54          HG21      ILE  54  24.599  -2.410 -13.192
  396   HG22  ILE  54          HG22      ILE  54  24.344  -3.111 -11.574
  397   HG23  ILE  54          HG23      ILE  54  25.892  -3.337 -12.396
  398   HD11  ILE  54          HD11      ILE  54  21.849  -3.448 -14.545
  399   HD12  ILE  54          HD12      ILE  54  20.890  -3.606 -13.094
  400   HD13  ILE  54          HD13      ILE  54  22.307  -2.566 -13.072
  401    H    THR  55           H        THR  55  23.049  -5.612 -16.249
  402    HA   THR  55           HA       THR  55  22.664  -3.011 -17.653
  403    HB   THR  55           HB       THR  55  22.118  -4.423 -19.678
  404    HG1  THR  55           HG1      THR  55  22.585  -6.532 -19.652
  405   HG21  THR  55          HG21      THR  55  24.948  -4.650 -18.536
  406   HG22  THR  55          HG22      THR  55  24.496  -5.022 -20.211
  407   HG23  THR  55          HG23      THR  55  24.321  -3.376 -19.605
  408    H    VAL  56           H        VAL  56  20.624  -2.334 -18.075
  409    HA   VAL  56           HA       VAL  56  18.335  -3.949 -17.011
  410    HB   VAL  56           HB       VAL  56  18.744  -0.965 -17.246
  411   HG11  VAL  56          HG11      VAL  56  16.072  -2.423 -16.927
  412   HG12  VAL  56          HG12      VAL  56  16.346  -0.705 -16.553
  413   HG13  VAL  56          HG13      VAL  56  16.522  -1.273 -18.214
  414   HG21  VAL  56          HG21      VAL  56  19.351  -2.310 -15.177
  415   HG22  VAL  56          HG22      VAL  56  18.106  -1.075 -14.892
  416   HG23  VAL  56          HG23      VAL  56  17.647  -2.781 -15.046
  417    H    ASN  57           H        ASN  57  17.275  -4.973 -18.415
  418    HA   ASN  57           HA       ASN  57  16.625  -5.964 -20.330
  419    HB2  ASN  57           HB2      ASN  57  16.259  -3.132 -21.378
  420    HB3  ASN  57           HB3      ASN  57  15.643  -4.594 -22.127
  421   HD21  ASN  57          HD21      ASN  57  13.499  -2.922 -19.197
  422   HD22  ASN  57          HD22      ASN  57  14.925  -2.157 -19.884
  423    H    GLN  58           H        GLN  58  18.402  -3.258 -21.791
  424    HA   GLN  58           HA       GLN  58  20.489  -5.056 -22.880
  425    HB2  GLN  58           HB2      GLN  58  20.148  -4.210 -25.169
  426    HB3  GLN  58           HB3      GLN  58  18.757  -5.107 -24.573
  427    HG2  GLN  58           HG2      GLN  58  17.496  -3.058 -24.175
  428    HG3  GLN  58           HG3      GLN  58  18.901  -2.060 -24.547
  429   HE21  GLN  58          HE21      GLN  58  18.562  -2.482 -28.116
  430   HE22  GLN  58          HE22      GLN  58  19.723  -2.108 -26.849
  431    H    ASP  59           H        ASP  59  19.997  -2.435 -21.074
  432    HA   ASP  59           HA       ASP  59  22.147  -0.733 -22.309
  433    HB2  ASP  59           HB2      ASP  59  19.678  -0.022 -20.683
  434    HB3  ASP  59           HB3      ASP  59  20.989   1.104 -21.000
  435    H    VAL  60           H        VAL  60  23.959  -0.338 -21.109
  436    HA   VAL  60           HA       VAL  60  24.174  -1.488 -18.422
  437    HB   VAL  60           HB       VAL  60  26.094  -1.607 -19.883
  438   HG11  VAL  60          HG11      VAL  60  26.305   1.430 -19.728
  439   HG12  VAL  60          HG12      VAL  60  27.478   0.321 -20.457
  440   HG13  VAL  60          HG13      VAL  60  25.875   0.493 -21.175
  441   HG21  VAL  60          HG21      VAL  60  26.435  -1.513 -17.415
  442   HG22  VAL  60          HG22      VAL  60  27.812  -0.889 -18.345
  443   HG23  VAL  60          HG23      VAL  60  26.721   0.243 -17.542
  444    H    ILE  61           H        ILE  61  24.140  -0.560 -16.500
  445    HA   ILE  61           HA       ILE  61  23.772   2.414 -16.332
  446    HB   ILE  61           HB       ILE  61  22.259   1.906 -14.372
  447   HG12  ILE  61          HG12      ILE  61  21.626  -0.711 -15.738
  448   HG13  ILE  61          HG13      ILE  61  22.775  -0.625 -14.394
  449   HG21  ILE  61          HG21      ILE  61  21.209   1.248 -17.146
  450   HG22  ILE  61          HG22      ILE  61  20.279   1.922 -15.786
  451   HG23  ILE  61          HG23      ILE  61  21.552   2.885 -16.537
  452   HD11  ILE  61          HD11      ILE  61  19.908   0.393 -14.231
  453   HD12  ILE  61          HD12      ILE  61  20.473  -1.163 -13.639
  454   HD13  ILE  61          HD13      ILE  61  21.108   0.327 -12.924
  455    H    PHE  62           H        PHE  62  25.223  -0.462 -14.867
  456    HA   PHE  62           HA       PHE  62  26.992   1.333 -13.407
  457    HB2  PHE  62           HB2      PHE  62  25.320   1.180 -11.728
  458    HB3  PHE  62           HB3      PHE  62  25.092  -0.538 -11.956
  459    HD1  PHE  62           HD1      PHE  62  27.623   2.037 -10.913
  460    HD2  PHE  62           HD2      PHE  62  26.369  -2.075 -10.543
  461    HE1  PHE  62           HE1      PHE  62  29.422   1.627  -9.257
  462    HE2  PHE  62           HE2      PHE  62  28.214  -2.486  -8.913
  463    HZ   PHE  62           HZ       PHE  62  29.713  -0.628  -8.261
  464    H    GLN  63           H        GLN  63  28.939   0.427 -12.881
  465    HA   GLN  63           HA       GLN  63  29.428  -2.387 -13.182
  466    HB2  GLN  63           HB2      GLN  63  31.094  -2.251 -14.998
  467    HB3  GLN  63           HB3      GLN  63  29.465  -1.854 -15.531
  468    HG2  GLN  63           HG2      GLN  63  30.039   0.579 -15.446
  469    HG3  GLN  63           HG3      GLN  63  31.700   0.149 -15.025
  470   HE21  GLN  63          HE21      GLN  63  32.306  -1.289 -18.363
  471   HE22  GLN  63          HE22      GLN  63  32.567  -1.741 -16.689
  472    H    THR  64           H        THR  64  31.393  -3.082 -12.329
  473    HA   THR  64           HA       THR  64  33.341  -1.175 -11.229
  474    HB   THR  64           HB       THR  64  31.488  -1.075  -9.611
  475    HG1  THR  64           HG1      THR  64  32.820  -1.323  -7.852
  476   HG21  THR  64          HG21      THR  64  32.098  -4.000  -8.976
  477   HG22  THR  64          HG22      THR  64  30.915  -2.939  -8.177
  478   HG23  THR  64          HG23      THR  64  30.648  -3.446  -9.845
  479    H    PHE  65           H        PHE  65  35.070  -2.353  -9.972
  480    HA   PHE  65           HA       PHE  65  35.664  -4.940 -11.324
  481    HB2  PHE  65           HB2      PHE  65  37.184  -2.726 -11.274
  482    HB3  PHE  65           HB3      PHE  65  37.754  -3.462  -9.788
  483    HD1  PHE  65           HD1      PHE  65  38.432  -6.041  -9.995
  484    HD2  PHE  65           HD2      PHE  65  38.127  -3.319 -13.317
  485    HE1  PHE  65           HE1      PHE  65  39.757  -7.591 -11.382
  486    HE2  PHE  65           HE2      PHE  65  39.525  -4.844 -14.690
  487    HZ   PHE  65           HZ       PHE  65  40.312  -6.992 -13.754
  488    H    LEU  66           H        LEU  66  35.767  -6.798 -10.211
  489    HA   LEU  66           HA       LEU  66  35.677  -6.775  -7.231
  490    HB2  LEU  66           HB2      LEU  66  34.652  -8.688  -9.316
  491    HB3  LEU  66           HB3      LEU  66  35.093  -9.285  -7.726
  492    HG   LEU  66           HG       LEU  66  32.934  -7.239  -8.264
  493   HD11  LEU  66          HD11      LEU  66  32.847 -10.100  -7.172
  494   HD12  LEU  66          HD12      LEU  66  31.486  -9.057  -7.625
  495   HD13  LEU  66          HD13      LEU  66  32.570  -9.698  -8.862
  496   HD21  LEU  66          HD21      LEU  66  33.882  -6.765  -6.046
  497   HD22  LEU  66          HD22      LEU  66  32.372  -7.665  -5.833
  498   HD23  LEU  66          HD23      LEU  66  33.934  -8.494  -5.658
  499    H    PHE  67           H        PHE  67  37.057  -7.923  -6.034
  500    HA   PHE  67           HA       PHE  67  39.466  -9.102  -7.382
  501    HB2  PHE  67           HB2      PHE  67  39.439  -7.563  -4.786
  502    HB3  PHE  67           HB3      PHE  67  40.846  -8.117  -5.681
  503    HD1  PHE  67           HD1      PHE  67  38.465  -5.440  -5.171
  504    HD2  PHE  67           HD2      PHE  67  41.264  -7.068  -8.016
  505    HE1  PHE  67           HE1      PHE  67  38.498  -3.272  -6.376
  506    HE2  PHE  67           HE2      PHE  67  41.301  -4.883  -9.221
  507    HZ   PHE  67           HZ       PHE  67  39.922  -2.991  -8.401
  508    HA   PRO  68           HA       PRO  68  38.221 -12.633  -4.958
  509    HB2  PRO  68           HB2      PRO  68  40.108 -14.443  -5.711
  510    HB3  PRO  68           HB3      PRO  68  38.879 -13.804  -6.845
  511    HG2  PRO  68           HG2      PRO  68  41.722 -12.794  -6.447
  512    HG3  PRO  68           HG3      PRO  68  40.925 -13.255  -7.993
  513    HD2  PRO  68           HD2      PRO  68  41.067 -10.699  -7.163
  514    HD3  PRO  68           HD3      PRO  68  39.598 -11.338  -7.974
  515    H    LEU  69           H        LEU  69  41.556 -11.418  -4.572
  516    HA   LEU  69           HA       LEU  69  42.001 -12.915  -2.069
  517    HB2  LEU  69           HB2      LEU  69  43.631 -11.053  -3.820
  518    HB3  LEU  69           HB3      LEU  69  44.099 -11.295  -2.148
  519    HG   LEU  69           HG       LEU  69  44.248 -13.735  -2.475
  520   HD11  LEU  69          HD11      LEU  69  43.831 -13.108  -5.430
  521   HD12  LEU  69          HD12      LEU  69  44.374 -14.661  -4.761
  522   HD13  LEU  69          HD13      LEU  69  42.749 -14.083  -4.397
  523   HD21  LEU  69          HD21      LEU  69  46.227 -12.280  -2.684
  524   HD22  LEU  69          HD22      LEU  69  46.336 -13.671  -3.774
  525   HD23  LEU  69          HD23      LEU  69  45.904 -12.071  -4.420
  526    H    LYS  70           H        LYS  70  40.443 -10.015  -2.833
  527    HA   LYS  70           HA       LYS  70  41.167  -8.635  -0.298
  528    HB2  LYS  70           HB2      LYS  70  41.296  -7.640  -2.696
  529    HB3  LYS  70           HB3      LYS  70  39.542  -7.461  -2.568
  530    HG2  LYS  70           HG2      LYS  70  39.792  -5.955  -0.664
  531    HG3  LYS  70           HG3      LYS  70  41.539  -6.278  -0.585
  532    HD2  LYS  70           HD2      LYS  70  41.828  -5.351  -2.868
  533    HD3  LYS  70           HD3      LYS  70  40.109  -4.990  -2.963
  534    HE2  LYS  70           HE2      LYS  70  42.087  -3.770  -0.968
  535    HE3  LYS  70           HE3      LYS  70  41.539  -3.023  -2.471
  536    HZ1  LYS  70           HZ1      LYS  70  39.880  -3.573  -0.077
  537    HZ2  LYS  70           HZ2      LYS  70  40.182  -2.130  -0.779
  538    HZ3  LYS  70           HZ3      LYS  70  39.209  -3.222  -1.540
  539    H    ARG  71           H        ARG  71  39.640  -7.861   1.165
  540    HA   ARG  71           HA       ARG  71  37.252  -9.577   1.387
  541    HB2  ARG  71           HB2      ARG  71  37.302  -9.179   3.703
  542    HB3  ARG  71           HB3      ARG  71  38.947  -9.494   3.160
  543    HG2  ARG  71           HG2      ARG  71  39.365  -6.992   3.173
  544    HG3  ARG  71           HG3      ARG  71  37.768  -6.769   3.890
  545    HD2  ARG  71           HD2      ARG  71  40.064  -8.371   5.098
  546    HD3  ARG  71           HD3      ARG  71  39.582  -6.729   5.549
  547    HE   ARG  71           HE       ARG  71  37.510  -8.840   5.778
  548   HH11  ARG  71          HH11      ARG  71  39.889  -6.974   7.553
  549   HH12  ARG  71          HH12      ARG  71  39.147  -7.325   9.091
  550   HH21  ARG  71          HH21      ARG  71  36.618  -9.250   7.775
  551   HH22  ARG  71          HH22      ARG  71  37.348  -8.584   9.202
  552    H    ASP  72           H        ASP  72  37.249  -7.059  -0.336
  553    HA   ASP  72           HA       ASP  72  35.018  -5.586   0.928
  554    HB2  ASP  72           HB2      ASP  72  35.369  -3.859  -0.673
  555    HB3  ASP  72           HB3      ASP  72  36.840  -4.257   0.193
  556    H    PHE  73           H        PHE  73  35.194  -8.193  -1.197
  557    HA   PHE  73           HA       PHE  73  33.322  -7.778  -3.181
  558    HB2  PHE  73           HB2      PHE  73  34.487  -9.823  -3.093
  559    HB3  PHE  73           HB3      PHE  73  33.962 -10.198  -1.464
  560    HD1  PHE  73           HD1      PHE  73  33.212 -10.588  -4.984
  561    HD2  PHE  73           HD2      PHE  73  31.568 -10.917  -1.011
  562    HE1  PHE  73           HE1      PHE  73  31.307 -11.915  -5.881
  563    HE2  PHE  73           HE2      PHE  73  29.663 -12.215  -1.907
  564    HZ   PHE  73           HZ       PHE  73  29.509 -12.682  -4.324
  565    H    GLU  74           H        GLU  74  32.437  -8.663   0.199
  566    HA   GLU  74           HA       GLU  74  29.633  -8.831  -0.265
  567    HB2  GLU  74           HB2      GLU  74  31.053  -9.547   1.769
  568    HB3  GLU  74           HB3      GLU  74  30.916  -7.873   2.316
  569    HG2  GLU  74           HG2      GLU  74  28.426  -8.089   2.275
  570    HG3  GLU  74           HG3      GLU  74  28.596  -9.757   1.714
  571    H    LYS  75           H        LYS  75  31.670  -6.079   0.602
  572    HA   LYS  75           HA       LYS  75  29.467  -4.207   0.974
  573    HB2  LYS  75           HB2      LYS  75  32.447  -3.614   0.617
  574    HB3  LYS  75           HB3      LYS  75  31.194  -2.508   1.168
  575    HG2  LYS  75           HG2      LYS  75  31.854  -3.132   3.247
  576    HG3  LYS  75           HG3      LYS  75  30.768  -4.488   2.969
  577    HD2  LYS  75           HD2      LYS  75  32.944  -5.666   1.982
  578    HD3  LYS  75           HD3      LYS  75  33.797  -4.368   2.836
  579    HE2  LYS  75           HE2      LYS  75  32.462  -5.084   4.925
  580    HE3  LYS  75           HE3      LYS  75  31.919  -6.484   3.988
  581    HZ1  LYS  75           HZ1      LYS  75  34.741  -5.829   4.708
  582    HZ2  LYS  75           HZ2      LYS  75  33.867  -7.084   5.273
  583    HZ3  LYS  75           HZ3      LYS  75  34.352  -7.065   3.702
  584    H    THR  76           H        THR  76  31.776  -4.859  -1.691
  585    HA   THR  76           HA       THR  76  30.710  -3.031  -3.588
  586    HB   THR  76           HB       THR  76  32.008  -5.750  -3.998
  587    HG1  THR  76           HG1      THR  76  33.844  -4.446  -4.263
  588   HG21  THR  76          HG21      THR  76  31.495  -3.484  -5.976
  589   HG22  THR  76          HG22      THR  76  32.649  -4.818  -6.252
  590   HG23  THR  76          HG23      THR  76  30.917  -5.156  -6.106
  591    H    VAL  77           H        VAL  77  29.601  -6.374  -2.813
  592    HA   VAL  77           HA       VAL  77  27.488  -6.467  -4.771
  593    HB   VAL  77           HB       VAL  77  27.895  -7.894  -2.126
  594   HG11  VAL  77          HG11      VAL  77  25.608  -8.263  -4.108
  595   HG12  VAL  77          HG12      VAL  77  26.009  -9.382  -2.788
  596   HG13  VAL  77          HG13      VAL  77  25.449  -7.768  -2.403
  597   HG21  VAL  77          HG21      VAL  77  29.311  -8.506  -4.141
  598   HG22  VAL  77          HG22      VAL  77  28.331  -9.818  -3.486
  599   HG23  VAL  77          HG23      VAL  77  27.805  -8.981  -4.962
  600    H    VAL  78           H        VAL  78  27.358  -5.493  -1.282
  601    HA   VAL  78           HA       VAL  78  24.585  -4.773  -1.364
  602    HB   VAL  78           HB       VAL  78  26.834  -3.901   0.485
  603   HG11  VAL  78          HG11      VAL  78  23.830  -3.442   0.795
  604   HG12  VAL  78          HG12      VAL  78  25.035  -3.238   2.084
  605   HG13  VAL  78          HG13      VAL  78  25.086  -2.186   0.672
  606   HG21  VAL  78          HG21      VAL  78  26.200  -6.330   0.517
  607   HG22  VAL  78          HG22      VAL  78  25.813  -5.507   2.030
  608   HG23  VAL  78          HG23      VAL  78  24.523  -5.866   0.859
  609    H    ALA  79           H        ALA  79  27.510  -2.850  -2.027
  610    HA   ALA  79           HA       ALA  79  26.131  -0.329  -2.283
  611    HB1  ALA  79           HB1      ALA  79  28.821  -1.304  -3.337
  612    HB2  ALA  79           HB2      ALA  79  28.312   0.400  -3.167
  613    HB3  ALA  79           HB3      ALA  79  28.521  -0.617  -1.727
  614    H    ALA  80           H        ALA  80  26.865  -2.952  -4.642
  615    HA   ALA  80           HA       ALA  80  26.135  -1.459  -6.981
  616    HB1  ALA  80           HB1      ALA  80  25.959  -4.459  -6.434
  617    HB2  ALA  80           HB2      ALA  80  25.986  -3.667  -8.024
  618    HB3  ALA  80           HB3      ALA  80  27.418  -3.599  -6.972
  619    H    LEU  81           H        LEU  81  24.159  -2.996  -4.487
  620    HA   LEU  81           HA       LEU  81  21.698  -3.207  -5.981
  621    HB2  LEU  81           HB2      LEU  81  21.923  -2.594  -3.009
  622    HB3  LEU  81           HB3      LEU  81  20.595  -3.370  -3.843
  623    HG   LEU  81           HG       LEU  81  23.349  -4.580  -3.473
  624   HD11  LEU  81          HD11      LEU  81  20.788  -5.130  -1.955
  625   HD12  LEU  81          HD12      LEU  81  22.350  -5.966  -1.758
  626   HD13  LEU  81          HD13      LEU  81  22.200  -4.252  -1.331
  627   HD21  LEU  81          HD21      LEU  81  22.115  -5.548  -5.398
  628   HD22  LEU  81          HD22      LEU  81  22.321  -6.711  -4.079
  629   HD23  LEU  81          HD23      LEU  81  20.756  -5.921  -4.307
  630    H    ILE  82           H        ILE  82  22.986  -0.664  -3.841
  631    HA   ILE  82           HA       ILE  82  20.875   1.250  -4.293
  632    HB   ILE  82           HB       ILE  82  23.725   1.672  -3.298
  633   HG12  ILE  82          HG12      ILE  82  21.141   1.284  -1.710
  634   HG13  ILE  82          HG13      ILE  82  22.371   0.043  -1.930
  635   HG21  ILE  82          HG21      ILE  82  21.256   3.463  -3.051
  636   HG22  ILE  82          HG22      ILE  82  22.845   3.780  -2.318
  637   HG23  ILE  82          HG23      ILE  82  22.680   3.795  -4.061
  638   HD11  ILE  82          HD11      ILE  82  22.720   2.634  -0.394
  639   HD12  ILE  82          HD12      ILE  82  22.700   0.980   0.228
  640   HD13  ILE  82          HD13      ILE  82  24.048   1.514  -0.793
  641    H    GLN  83           H        GLN  83  24.167   0.908  -5.715
  642    HA   GLN  83           HA       GLN  83  23.923   3.235  -7.368
  643    HB2  GLN  83           HB2      GLN  83  25.735   0.790  -7.538
  644    HB3  GLN  83           HB3      GLN  83  25.913   2.213  -8.574
  645    HG2  GLN  83           HG2      GLN  83  26.291   3.668  -6.699
  646    HG3  GLN  83           HG3      GLN  83  25.936   2.407  -5.527
  647   HE21  GLN  83          HE21      GLN  83  29.088   0.721  -5.954
  648   HE22  GLN  83          HE22      GLN  83  27.369   0.413  -5.642
  649    H    THR  84           H        THR  84  22.823  -0.067  -7.910
  650    HA   THR  84           HA       THR  84  22.227   0.169 -10.725
  651    HB   THR  84           HB       THR  84  20.946  -1.516  -8.544
  652    HG1  THR  84           HG1      THR  84  23.033  -2.111  -8.914
  653   HG21  THR  84          HG21      THR  84  20.739  -1.803 -11.548
  654   HG22  THR  84          HG22      THR  84  20.143  -2.941 -10.330
  655   HG23  THR  84          HG23      THR  84  19.398  -1.343 -10.485
  656    H    GLU  85           H        GLU  85  20.212   0.910  -7.759
  657    HA   GLU  85           HA       GLU  85  18.055   1.830  -9.515
  658    HB2  GLU  85           HB2      GLU  85  16.852   2.455  -7.603
  659    HB3  GLU  85           HB3      GLU  85  17.511   0.845  -7.347
  660    HG2  GLU  85           HG2      GLU  85  19.057   1.596  -5.732
  661    HG3  GLU  85           HG3      GLU  85  18.921   3.287  -6.215
  662    H    GLU  86           H        GLU  86  20.761   3.450  -7.834
  663    HA   GLU  86           HA       GLU  86  19.856   6.102  -8.104
  664    HB2  GLU  86           HB2      GLU  86  22.622   4.896  -8.064
  665    HB3  GLU  86           HB3      GLU  86  22.379   6.639  -8.161
  666    HG2  GLU  86           HG2      GLU  86  20.939   5.066  -6.028
  667    HG3  GLU  86           HG3      GLU  86  22.641   5.475  -5.819
  668    H    ALA  87           H        ALA  87  21.245   4.054 -10.634
  669    HA   ALA  87           HA       ALA  87  21.524   6.102 -12.646
  670    HB1  ALA  87           HB1      ALA  87  20.871   3.121 -12.908
  671    HB2  ALA  87           HB2      ALA  87  21.471   4.183 -14.193
  672    HB3  ALA  87           HB3      ALA  87  22.507   3.819 -12.796
  673    H    LEU  88           H        LEU  88  18.771   4.066 -11.593
  674    HA   LEU  88           HA       LEU  88  17.059   4.980 -13.800
  675    HB2  LEU  88           HB2      LEU  88  16.404   3.186 -11.464
  676    HB3  LEU  88           HB3      LEU  88  15.469   3.357 -12.943
  677    HG   LEU  88           HG       LEU  88  18.206   2.046 -12.611
  678   HD11  LEU  88          HD11      LEU  88  15.505   0.938 -13.444
  679   HD12  LEU  88          HD12      LEU  88  17.012   0.025 -13.185
  680   HD13  LEU  88          HD13      LEU  88  16.212   0.804 -11.814
  681   HD21  LEU  88          HD21      LEU  88  18.236   3.060 -14.788
  682   HD22  LEU  88          HD22      LEU  88  17.872   1.348 -15.014
  683   HD23  LEU  88          HD23      LEU  88  16.554   2.528 -15.123
  684    H    ASN  89           H        ASN  89  17.616   5.794 -10.494
  685    HA   ASN  89           HA       ASN  89  15.245   7.109  -9.782
  686    HB2  ASN  89           HB2      ASN  89  18.097   7.068  -8.894
  687    HB3  ASN  89           HB3      ASN  89  17.206   8.453  -8.377
  688   HD21  ASN  89          HD21      ASN  89  16.605   5.009  -6.482
  689   HD22  ASN  89          HD22      ASN  89  17.618   5.126  -7.928
  690    H    ARG  90           H        ARG  90  17.800   8.332 -11.858
  691    HA   ARG  90           HA       ARG  90  16.329  10.919 -12.193
  692    HB2  ARG  90           HB2      ARG  90  18.758  10.838 -11.676
  693    HB3  ARG  90           HB3      ARG  90  19.056  10.075 -13.242
  694    HG2  ARG  90           HG2      ARG  90  18.281  12.078 -14.412
  695    HG3  ARG  90           HG3      ARG  90  17.710  12.797 -12.892
  696    HD2  ARG  90           HD2      ARG  90  20.043  12.882 -12.056
  697    HD3  ARG  90           HD3      ARG  90  20.606  12.107 -13.536
  698    HE   ARG  90           HE       ARG  90  20.306  14.071 -14.751
  699   HH11  ARG  90          HH11      ARG  90  19.090  14.654 -11.506
  700   HH12  ARG  90          HH12      ARG  90  19.002  16.375 -11.760
  701   HH21  ARG  90          HH21      ARG  90  20.168  16.262 -14.994
  702   HH22  ARG  90          HH22      ARG  90  19.600  17.257 -13.687
  703    H    ARG  91           H        ARG  91  16.317   7.900 -13.661
  704    HA   ARG  91           HA       ARG  91  15.790   8.859 -16.449
  705    HB2  ARG  91           HB2      ARG  91  15.912   6.078 -15.230
  706    HB3  ARG  91           HB3      ARG  91  15.506   6.394 -16.914
  707    HG2  ARG  91           HG2      ARG  91  17.673   7.268 -17.399
  708    HG3  ARG  91           HG3      ARG  91  18.143   7.293 -15.707
  709    HD2  ARG  91           HD2      ARG  91  18.831   5.132 -15.790
  710    HD3  ARG  91           HD3      ARG  91  17.275   4.587 -16.329
  711    HE   ARG  91           HE       ARG  91  19.655   5.325 -17.973
  712   HH11  ARG  91          HH11      ARG  91  16.321   4.190 -18.186
  713   HH12  ARG  91          HH12      ARG  91  16.521   3.712 -19.843
  714   HH21  ARG  91          HH21      ARG  91  19.805   4.688 -20.071
  715   HH22  ARG  91          HH22      ARG  91  18.434   3.991 -20.878
  716    H    GLN  92           H        GLN  92  14.108   6.874 -14.038
  717    HA   GLN  92           HA       GLN  92  11.458   7.603 -15.249
  718    HB2  GLN  92           HB2      GLN  92  10.851   5.197 -15.214
  719    HB3  GLN  92           HB3      GLN  92  12.047   5.646 -16.425
  720    HG2  GLN  92           HG2      GLN  92  13.826   4.559 -15.261
  721    HG3  GLN  92           HG3      GLN  92  12.893   4.404 -13.774
  722   HE21  GLN  92          HE21      GLN  92  10.980   1.586 -14.945
  723   HE22  GLN  92          HE22      GLN  92  10.932   2.934 -13.817
  724    H    ILE  93           H        ILE  93  13.112   6.184 -12.416
  725    HA   ILE  93           HA       ILE  93  10.658   6.044 -10.859
  726    HB   ILE  93           HB       ILE  93  13.412   6.185  -9.616
  727   HG12  ILE  93          HG12      ILE  93  12.134   3.739 -10.905
  728   HG13  ILE  93          HG13      ILE  93  13.625   4.526 -11.422
  729   HG21  ILE  93          HG21      ILE  93  10.872   4.689  -8.867
  730   HG22  ILE  93          HG22      ILE  93  12.362   4.782  -7.898
  731   HG23  ILE  93          HG23      ILE  93  11.403   6.225  -8.141
  732   HD11  ILE  93          HD11      ILE  93  13.249   2.947  -8.865
  733   HD12  ILE  93          HD12      ILE  93  14.252   2.556 -10.262
  734   HD13  ILE  93          HD13      ILE  93  14.687   3.935  -9.234
  735    H    ASN  94           H        ASN  94  12.752   8.627 -11.737
  736    HA   ASN  94           HA       ASN  94  12.502  10.479  -9.723
  737    HB2  ASN  94           HB2      ASN  94  13.674  10.499 -12.128
  738    HB3  ASN  94           HB3      ASN  94  12.215  11.332 -12.629
  739   HD21  ASN  94          HD21      ASN  94  14.909  13.128 -10.085
  740   HD22  ASN  94          HD22      ASN  94  14.886  11.369 -10.291
  741    H    GLN  95           H        GLN  95  10.034   9.803 -12.252
  742    HA   GLN  95           HA       GLN  95   8.207  11.875 -11.385
  743    HB2  GLN  95           HB2      GLN  95   7.729   9.348 -13.022
  744    HB3  GLN  95           HB3      GLN  95   6.569  10.664 -12.806
  745    HG2  GLN  95           HG2      GLN  95   8.186  12.251 -13.862
  746    HG3  GLN  95           HG3      GLN  95   9.295  10.914 -14.156
  747   HE21  GLN  95          HE21      GLN  95   7.339   9.547 -16.849
  748   HE22  GLN  95          HE22      GLN  95   8.526   9.149 -15.612
  749    H    ALA  96           H        ALA  96   8.614   8.448 -10.514
  750    HA   ALA  96           HA       ALA  96   6.174   8.233  -8.979
  751    HB1  ALA  96           HB1      ALA  96   8.708   6.538  -8.927
  752    HB2  ALA  96           HB2      ALA  96   7.127   6.093  -8.263
  753    HB3  ALA  96           HB3      ALA  96   7.317   6.302 -10.013
  754    H    LEU  97           H        LEU  97   9.582   8.966  -8.095
  755    HA   LEU  97           HA       LEU  97   8.918   9.203  -5.260
  756    HB2  LEU  97           HB2      LEU  97  11.207   9.645  -4.903
  757    HB3  LEU  97           HB3      LEU  97  11.024   8.329  -6.057
  758    HG   LEU  97           HG       LEU  97  11.379  10.258  -7.838
  759   HD11  LEU  97          HD11      LEU  97  12.883  11.354  -5.422
  760   HD12  LEU  97          HD12      LEU  97  13.035  11.924  -7.098
  761   HD13  LEU  97          HD13      LEU  97  11.520  12.152  -6.229
  762   HD21  LEU  97          HD21      LEU  97  12.847   8.310  -7.551
  763   HD22  LEU  97          HD22      LEU  97  13.804   9.775  -7.814
  764   HD23  LEU  97          HD23      LEU  97  13.645   9.101  -6.179
  765    H    LEU  98           H        LEU  98   9.140  11.487  -7.894
  766    HA   LEU  98           HA       LEU  98   9.086  13.920  -6.435
  767    HB2  LEU  98           HB2      LEU  98   9.464  13.833  -8.839
  768    HB3  LEU  98           HB3      LEU  98   7.857  13.158  -9.109
  769    HG   LEU  98           HG       LEU  98   6.828  15.298  -8.399
  770   HD11  LEU  98          HD11      LEU  98   9.685  16.371  -8.306
  771   HD12  LEU  98          HD12      LEU  98   8.196  17.317  -8.147
  772   HD13  LEU  98          HD13      LEU  98   8.630  16.154  -6.890
  773   HD21  LEU  98          HD21      LEU  98   7.364  14.866 -10.768
  774   HD22  LEU  98          HD22      LEU  98   7.496  16.585 -10.375
  775   HD23  LEU  98          HD23      LEU  98   8.968  15.599 -10.549
  776    H    SER  99           H        SER  99   6.436  11.632  -7.056
  777    HA   SER  99           HA       SER  99   4.234  11.598  -6.471
  778    HB2  SER  99           HB2      SER  99   5.308  12.984  -3.993
  779    HB3  SER  99           HB3      SER  99   3.741  12.164  -4.129
  780    HG   SER  99           HG       SER  99   5.364  10.787  -3.238
  781    H    THR 100           H        THR 100   4.363  13.432  -8.347
  782    HA   THR 100           HA       THR 100   3.958  16.092  -7.833
  783    HB   THR 100           HB       THR 100   2.577  14.760 -10.172
  784    HG1  THR 100           HG1      THR 100   4.573  14.520 -11.146
  785   HG21  THR 100          HG21      THR 100   4.339  17.246  -9.928
  786   HG22  THR 100          HG22      THR 100   3.585  16.651 -11.424
  787   HG23  THR 100          HG23      THR 100   2.570  17.241 -10.104
  788    H    GLY 101           H        GLY 101   1.414  13.627  -7.710
  789    HA2  GLY 101           HA2      GLY 101  -0.819  15.513  -7.586
  790    HA3  GLY 101           HA3      GLY 101  -0.868  13.771  -7.305
  791    H    ASP 102           H        ASP 102   1.523  14.929  -5.356
  792    HA   ASP 102           HA       ASP 102  -0.168  15.400  -2.930
  793    HB2  ASP 102           HB2      ASP 102   0.971  13.023  -3.425
  794    HB3  ASP 102           HB3      ASP 102   2.405  13.835  -2.833
  795    H    LEU 103           H        LEU 103   2.096  15.697  -1.213
  796    HA   LEU 103           HA       LEU 103   3.168  18.322  -1.707
  797    HB2  LEU 103           HB2      LEU 103   3.164  17.467   0.496
  798    HB3  LEU 103           HB3      LEU 103   4.014  15.995   0.031
  799    HG   LEU 103           HG       LEU 103   5.566  18.459  -0.582
  800   HD11  LEU 103          HD11      LEU 103   4.957  17.714   2.308
  801   HD12  LEU 103          HD12      LEU 103   6.179  18.893   1.766
  802   HD13  LEU 103          HD13      LEU 103   4.456  19.209   1.487
  803   HD21  LEU 103          HD21      LEU 103   6.547  16.181  -0.685
  804   HD22  LEU 103          HD22      LEU 103   7.373  17.210   0.490
  805   HD23  LEU 103          HD23      LEU 103   6.228  15.971   1.047
  806    H    ALA 104           H        ALA 104   4.752  18.973  -2.888
  807    HA   ALA 104           HA       ALA 104   6.990  17.345  -3.707
  808    HB1  ALA 104           HB1      ALA 104   5.023  18.370  -5.834
  809    HB2  ALA 104           HB2      ALA 104   6.585  17.589  -6.165
  810    HB3  ALA 104           HB3      ALA 104   5.269  16.675  -5.399
  811    H    HIS 105           H        HIS 105   8.378  18.828  -2.832
  812    HA   HIS 105           HA       HIS 105   8.565  21.522  -4.111
  813    HB2  HIS 105           HB2      HIS 105   7.149  21.767  -2.109
  814    HB3  HIS 105           HB3      HIS 105   8.414  21.059  -1.109
  815    HD2  HIS 105           HD2      HIS 105   7.980  24.127  -3.509
  816    HE1  HIS 105           HE1      HIS 105  10.642  25.303  -0.387
  817    HE2  HIS 105           HE2      HIS 105   9.406  26.088  -2.471
  818    H    ASP 106           H        ASP 106  10.206  19.485  -1.610
  819    HA   ASP 106           HA       ASP 106  12.824  20.120  -2.882
  820    HB2  ASP 106           HB2      ASP 106  12.231  21.774  -1.090
  821    HB3  ASP 106           HB3      ASP 106  12.186  20.449   0.071
  822    H    GLU 107           H        GLU 107  11.408  17.682  -3.103
  823    HA   GLU 107           HA       GLU 107  12.258  15.780  -1.083
  824    HB2  GLU 107           HB2      GLU 107  11.012  15.459  -3.837
  825    HB3  GLU 107           HB3      GLU 107  11.356  14.106  -2.766
  826    HG2  GLU 107           HG2      GLU 107   9.522  16.447  -2.072
  827    HG3  GLU 107           HG3      GLU 107   8.986  14.880  -2.653
  828    H    PHE 108           H        PHE 108  13.710  16.813  -4.095
  829    HA   PHE 108           HA       PHE 108  16.174  15.361  -3.496
  830    HB2  PHE 108           HB2      PHE 108  16.345  14.358  -5.704
  831    HB3  PHE 108           HB3      PHE 108  14.968  13.734  -4.818
  832    HD1  PHE 108           HD1      PHE 108  16.050  15.533  -7.820
  833    HD2  PHE 108           HD2      PHE 108  12.643  14.372  -5.453
  834    HE1  PHE 108           HE1      PHE 108  14.549  15.970  -9.759
  835    HE2  PHE 108           HE2      PHE 108  11.153  14.789  -7.390
  836    HZ   PHE 108           HZ       PHE 108  12.101  15.591  -9.549
  Start of MODEL   18
    1    H1   ALA   1           H1       ALA   1   0.762   0.890  -2.303
    2    H2   ALA   1           H2       ALA   1  -0.166   0.230  -1.127
    3    H3   ALA   1           H3       ALA   1  -0.869   1.026  -2.372
    4    HA   ALA   1           HA       ALA   1  -1.130  -1.345  -2.657
    5    HB1  ALA   1           HB1      ALA   1   0.773  -0.116  -4.712
    6    HB2  ALA   1           HB2      ALA   1  -0.279  -1.523  -4.965
    7    HB3  ALA   1           HB3      ALA   1  -0.996   0.070  -4.688
    8    H    VAL   2           H        VAL   2  -0.090  -3.402  -3.271
    9    HA   VAL   2           HA       VAL   2   2.697  -3.788  -2.255
   10    HB   VAL   2           HB       VAL   2   0.329  -5.602  -1.640
   11   HG11  VAL   2          HG11      VAL   2   3.261  -5.785  -0.804
   12   HG12  VAL   2          HG12      VAL   2   1.948  -6.805  -0.180
   13   HG13  VAL   2          HG13      VAL   2   2.396  -6.911  -1.878
   14   HG21  VAL   2          HG21      VAL   2   0.234  -3.610  -0.211
   15   HG22  VAL   2          HG22      VAL   2   0.769  -4.995   0.736
   16   HG23  VAL   2          HG23      VAL   2   1.956  -3.789   0.196
   17    H    GLU   3           H        GLU   3   3.924  -5.212  -3.424
   18    HA   GLU   3           HA       GLU   3   2.723  -6.402  -5.897
   19    HB2  GLU   3           HB2      GLU   3   5.483  -5.203  -5.469
   20    HB3  GLU   3           HB3      GLU   3   4.974  -6.094  -6.909
   21    HG2  GLU   3           HG2      GLU   3   3.148  -4.436  -7.284
   22    HG3  GLU   3           HG3      GLU   3   3.722  -3.502  -5.901
   23    H    VAL   4           H        VAL   4   3.728  -8.312  -6.739
   24    HA   VAL   4           HA       VAL   4   4.540 -10.161  -4.539
   25    HB   VAL   4           HB       VAL   4   3.045 -11.093  -6.958
   26   HG11  VAL   4          HG11      VAL   4   2.979 -11.942  -4.013
   27   HG12  VAL   4          HG12      VAL   4   2.128 -12.747  -5.348
   28   HG13  VAL   4          HG13      VAL   4   3.887 -12.779  -5.284
   29   HG21  VAL   4          HG21      VAL   4   1.597  -9.274  -6.223
   30   HG22  VAL   4          HG22      VAL   4   0.883 -10.801  -5.724
   31   HG23  VAL   4          HG23      VAL   4   1.735  -9.799  -4.528
   32    H    GLU   5           H        GLU   5   6.313  -8.696  -6.355
   33    HA   GLU   5           HA       GLU   5   8.232  -8.949  -7.562
   34    HB2  GLU   5           HB2      GLU   5   8.363 -11.658  -6.194
   35    HB3  GLU   5           HB3      GLU   5   9.702 -10.784  -6.945
   36    HG2  GLU   5           HG2      GLU   5   9.446  -8.944  -5.320
   37    HG3  GLU   5           HG3      GLU   5   8.110  -9.798  -4.544
   38    H    VAL   6           H        VAL   6   5.957  -9.420  -9.026
   39    HA   VAL   6           HA       VAL   6   6.002 -11.823 -10.519
   40    HB   VAL   6           HB       VAL   6   4.676  -9.186 -11.208
   41   HG11  VAL   6          HG11      VAL   6   4.231 -11.966 -12.384
   42   HG12  VAL   6          HG12      VAL   6   3.186 -10.553 -12.654
   43   HG13  VAL   6          HG13      VAL   6   4.843 -10.540 -13.255
   44   HG21  VAL   6          HG21      VAL   6   3.865 -10.154  -9.097
   45   HG22  VAL   6          HG22      VAL   6   2.644 -10.322 -10.357
   46   HG23  VAL   6          HG23      VAL   6   3.628 -11.726  -9.890
   47    HA   PRO   7           HA       PRO   7   8.445  -9.863 -14.063
   48    HB2  PRO   7           HB2      PRO   7   9.516  -7.401 -14.068
   49    HB3  PRO   7           HB3      PRO   7   7.772  -7.630 -14.359
   50    HG2  PRO   7           HG2      PRO   7   9.111  -6.971 -11.716
   51    HG3  PRO   7           HG3      PRO   7   7.745  -6.103 -12.494
   52    HD2  PRO   7           HD2      PRO   7   7.341  -8.005 -10.593
   53    HD3  PRO   7           HD3      PRO   7   6.234  -7.836 -11.991
   54    H    GLY   8           H        GLY   8  10.719  -9.551 -14.579
   55    HA2  GLY   8           HA2      GLY   8  12.947  -8.920 -13.342
   56    HA3  GLY   8           HA3      GLY   8  12.594 -10.353 -12.385
   57    H    LEU   9           H        LEU   9  14.838  -9.700 -14.271
   58    HA   LEU   9           HA       LEU   9  14.881 -12.323 -15.576
   59    HB2  LEU   9           HB2      LEU   9  15.562 -11.491 -17.785
   60    HB3  LEU   9           HB3      LEU   9  13.915 -11.152 -17.319
   61    HG   LEU   9           HG       LEU   9  14.606  -8.769 -16.803
   62   HD11  LEU   9          HD11      LEU   9  17.090  -9.561 -18.377
   63   HD12  LEU   9          HD12      LEU   9  16.592  -7.894 -18.011
   64   HD13  LEU   9          HD13      LEU   9  17.045  -8.990 -16.702
   65   HD21  LEU   9          HD21      LEU   9  13.385  -9.418 -18.835
   66   HD22  LEU   9          HD22      LEU   9  14.530  -8.113 -19.177
   67   HD23  LEU   9          HD23      LEU   9  14.920  -9.780 -19.652
   68    H    LEU  10           H        LEU  10  16.213 -11.467 -13.277
   69    HA   LEU  10           HA       LEU  10  19.002 -10.889 -13.786
   70    HB2  LEU  10           HB2      LEU  10  17.508 -12.140 -11.462
   71    HB3  LEU  10           HB3      LEU  10  19.253 -12.131 -11.493
   72    HG   LEU  10           HG       LEU  10  17.835  -9.526 -11.956
   73   HD11  LEU  10          HD11      LEU  10  18.263 -10.803  -9.219
   74   HD12  LEU  10          HD12      LEU  10  17.800  -9.110  -9.500
   75   HD13  LEU  10          HD13      LEU  10  16.698 -10.415  -9.967
   76   HD21  LEU  10          HD21      LEU  10  20.320  -9.675 -12.101
   77   HD22  LEU  10          HD22      LEU  10  19.791  -8.611 -10.784
   78   HD23  LEU  10          HD23      LEU  10  20.362 -10.247 -10.408
   79    H    THR  11           H        THR  11  20.121 -12.104 -15.177
   80    HA   THR  11           HA       THR  11  20.076 -15.069 -14.839
   81    HB   THR  11           HB       THR  11  20.853 -13.400 -17.236
   82    HG1  THR  11           HG1      THR  11  19.050 -14.406 -18.113
   83   HG21  THR  11          HG21      THR  11  21.016 -16.410 -16.764
   84   HG22  THR  11          HG22      THR  11  21.025 -15.662 -18.373
   85   HG23  THR  11          HG23      THR  11  22.332 -15.305 -17.243
   86    H    ASP  12           H        ASP  12  21.824 -16.169 -14.371
   87    HA   ASP  12           HA       ASP  12  24.256 -14.943 -13.412
   88    HB2  ASP  12           HB2      ASP  12  24.926 -17.226 -12.952
   89    HB3  ASP  12           HB3      ASP  12  23.315 -16.909 -12.342
   90    H    HIS  13           H        HIS  13  24.324 -13.808 -15.681
   91    HA   HIS  13           HA       HIS  13  25.842 -15.333 -17.720
   92    HB2  HIS  13           HB2      HIS  13  24.883 -12.465 -17.539
   93    HB3  HIS  13           HB3      HIS  13  26.003 -13.004 -18.788
   94    HD2  HIS  13           HD2      HIS  13  24.771 -15.637 -19.834
   95    HE1  HIS  13           HE1      HIS  13  21.237 -13.362 -20.555
   96    HE2  HIS  13           HE2      HIS  13  22.500 -15.489 -21.162
   97    H    THR  14           H        THR  14  26.996 -15.635 -15.317
   98    HA   THR  14           HA       THR  14  29.439 -13.999 -15.428
   99    HB   THR  14           HB       THR  14  29.516 -13.944 -12.970
  100    HG1  THR  14           HG1      THR  14  27.635 -14.439 -11.829
  101   HG21  THR  14          HG21      THR  14  26.889 -12.762 -13.936
  102   HG22  THR  14          HG22      THR  14  27.881 -12.230 -12.566
  103   HG23  THR  14          HG23      THR  14  28.482 -12.027 -14.219
  104    H    VAL  15           H        VAL  15  31.379 -15.085 -15.268
  105    HA   VAL  15           HA       VAL  15  31.308 -18.002 -14.664
  106    HB   VAL  15           HB       VAL  15  32.576 -18.474 -16.704
  107   HG11  VAL  15          HG11      VAL  15  29.935 -17.101 -17.279
  108   HG12  VAL  15          HG12      VAL  15  30.704 -18.408 -18.205
  109   HG13  VAL  15          HG13      VAL  15  30.120 -18.713 -16.558
  110   HG21  VAL  15          HG21      VAL  15  33.553 -16.253 -17.220
  111   HG22  VAL  15          HG22      VAL  15  32.632 -16.903 -18.581
  112   HG23  VAL  15          HG23      VAL  15  31.933 -15.620 -17.574
  113    H    SER  16           H        SER  16  32.296 -16.109 -12.909
  114    HA   SER  16           HA       SER  16  35.127 -17.039 -12.712
  115    HB2  SER  16           HB2      SER  16  35.962 -14.864 -12.104
  116    HB3  SER  16           HB3      SER  16  35.142 -14.760 -13.673
  117    HG   SER  16           HG       SER  16  34.157 -13.216 -12.835
  118    H    SER  17           H        SER  17  36.009 -16.980 -10.472
  119    HA   SER  17           HA       SER  17  34.241 -18.243  -8.700
  120    HB2  SER  17           HB2      SER  17  36.031 -17.896  -6.995
  121    HB3  SER  17           HB3      SER  17  36.624 -18.532  -8.541
  122    HG   SER  17           HG       SER  17  37.950 -16.813  -7.790
  123    H    ILE  18           H        ILE  18  35.256 -14.854  -8.665
  124    HA   ILE  18           HA       ILE  18  33.409 -14.120  -6.486
  125    HB   ILE  18           HB       ILE  18  34.229 -11.726  -7.300
  126   HG12  ILE  18          HG12      ILE  18  36.610 -13.437  -8.138
  127   HG13  ILE  18          HG13      ILE  18  35.433 -12.761  -9.277
  128   HG21  ILE  18          HG21      ILE  18  35.986 -13.633  -5.714
  129   HG22  ILE  18          HG22      ILE  18  35.955 -11.851  -5.599
  130   HG23  ILE  18          HG23      ILE  18  34.556 -12.780  -5.085
  131   HD11  ILE  18          HD11      ILE  18  37.018 -11.005  -7.410
  132   HD12  ILE  18          HD12      ILE  18  37.555 -11.484  -9.040
  133   HD13  ILE  18          HD13      ILE  18  36.068 -10.568  -8.847
  134    H    GLY  19           H        GLY  19  33.466 -13.617 -10.088
  135    HA2  GLY  19           HA2      GLY  19  31.156 -11.876 -10.015
  136    HA3  GLY  19           HA3      GLY  19  31.813 -12.720 -11.420
  137    H    HIS  20           H        HIS  20  31.512 -15.401 -10.150
  138    HA   HIS  20           HA       HIS  20  28.758 -16.066 -10.683
  139    HB2  HIS  20           HB2      HIS  20  30.573 -17.674 -10.940
  140    HB3  HIS  20           HB3      HIS  20  30.920 -17.596  -9.207
  141    HD2  HIS  20           HD2      HIS  20  29.523 -19.139  -7.618
  142    HE1  HIS  20           HE1      HIS  20  26.734 -20.676 -10.461
  143    HE2  HIS  20           HE2      HIS  20  27.598 -20.887  -8.074
  144    H    ASP  21           H        ASP  21  30.598 -15.348  -7.667
  145    HA   ASP  21           HA       ASP  21  28.338 -15.938  -5.918
  146    HB2  ASP  21           HB2      ASP  21  31.057 -14.649  -5.502
  147    HB3  ASP  21           HB3      ASP  21  29.831 -14.719  -4.244
  148    H    PHE  22           H        PHE  22  29.699 -12.957  -7.421
  149    HA   PHE  22           HA       PHE  22  28.092 -11.057  -6.082
  150    HB2  PHE  22           HB2      PHE  22  29.931 -10.551  -7.707
  151    HB3  PHE  22           HB3      PHE  22  28.892 -11.042  -9.024
  152    HD1  PHE  22           HD1      PHE  22  26.782  -9.753  -9.513
  153    HD2  PHE  22           HD2      PHE  22  29.675  -8.331  -6.664
  154    HE1  PHE  22           HE1      PHE  22  25.786  -7.486  -9.649
  155    HE2  PHE  22           HE2      PHE  22  28.719  -6.046  -6.848
  156    HZ   PHE  22           HZ       PHE  22  26.775  -5.628  -8.342
  157    H    TYR  23           H        TYR  23  27.236 -13.036  -8.952
  158    HA   TYR  23           HA       TYR  23  24.654 -11.997  -9.419
  159    HB2  TYR  23           HB2      TYR  23  25.620 -13.620 -10.933
  160    HB3  TYR  23           HB3      TYR  23  25.668 -14.850  -9.661
  161    HD1  TYR  23           HD1      TYR  23  23.313 -12.781 -11.702
  162    HD2  TYR  23           HD2      TYR  23  23.841 -16.271  -9.241
  163    HE1  TYR  23           HE1      TYR  23  20.961 -13.436 -12.137
  164    HE2  TYR  23           HE2      TYR  23  21.492 -16.963  -9.714
  165    HH   TYR  23           HH       TYR  23  19.308 -15.057 -11.819
  166    H    ARG  24           H        ARG  24  25.489 -14.706  -7.226
  167    HA   ARG  24           HA       ARG  24  22.786 -15.079  -6.274
  168    HB2  ARG  24           HB2      ARG  24  25.390 -15.957  -4.935
  169    HB3  ARG  24           HB3      ARG  24  23.767 -16.588  -4.640
  170    HG2  ARG  24           HG2      ARG  24  23.750 -17.254  -7.150
  171    HG3  ARG  24           HG3      ARG  24  25.473 -16.887  -7.146
  172    HD2  ARG  24           HD2      ARG  24  25.285 -19.231  -6.811
  173    HD3  ARG  24           HD3      ARG  24  25.784 -18.519  -5.264
  174    HE   ARG  24           HE       ARG  24  22.895 -18.774  -5.466
  175   HH11  ARG  24          HH11      ARG  24  25.721 -20.739  -4.793
  176   HH12  ARG  24          HH12      ARG  24  24.803 -21.908  -3.885
  177   HH21  ARG  24          HH21      ARG  24  21.790 -20.290  -4.276
  178   HH22  ARG  24          HH22      ARG  24  22.632 -21.654  -3.606
  179    H    ALA  25           H        ALA  25  25.602 -13.429  -4.848
  180    HA   ALA  25           HA       ALA  25  24.285 -12.649  -2.423
  181    HB1  ALA  25           HB1      ALA  25  26.631 -11.330  -3.861
  182    HB2  ALA  25           HB2      ALA  25  26.231 -11.206  -2.130
  183    HB3  ALA  25           HB3      ALA  25  26.770 -12.757  -2.800
  184    H    PHE  26           H        PHE  26  24.639 -10.892  -5.567
  185    HA   PHE  26           HA       PHE  26  23.326  -8.517  -4.681
  186    HB2  PHE  26           HB2      PHE  26  24.687  -8.622  -6.704
  187    HB3  PHE  26           HB3      PHE  26  23.612  -9.784  -7.441
  188    HD1  PHE  26           HD1      PHE  26  21.117  -8.997  -7.870
  189    HD2  PHE  26           HD2      PHE  26  24.420  -6.314  -7.163
  190    HE1  PHE  26           HE1      PHE  26  19.835  -7.159  -8.888
  191    HE2  PHE  26           HE2      PHE  26  23.145  -4.481  -8.268
  192    HZ   PHE  26           HZ       PHE  26  20.838  -4.909  -9.120
  193    H    SER  27           H        SER  27  22.003 -11.436  -6.369
  194    HA   SER  27           HA       SER  27  19.332 -10.425  -6.435
  195    HB2  SER  27           HB2      SER  27  18.642 -12.588  -7.151
  196    HB3  SER  27           HB3      SER  27  20.177 -12.186  -7.944
  197    HG   SER  27           HG       SER  27  20.115 -14.356  -7.118
  198    H    ASP  28           H        ASP  28  21.024 -12.287  -3.933
  199    HA   ASP  28           HA       ASP  28  18.796 -12.941  -2.297
  200    HB2  ASP  28           HB2      ASP  28  21.756 -12.509  -1.830
  201    HB3  ASP  28           HB3      ASP  28  20.690 -12.701  -0.454
  202    H    LYS  29           H        LYS  29  20.586  -9.852  -2.530
  203    HA   LYS  29           HA       LYS  29  18.615  -8.701  -0.584
  204    HB2  LYS  29           HB2      LYS  29  20.508  -6.806  -0.525
  205    HB3  LYS  29           HB3      LYS  29  20.323  -8.087   0.622
  206    HG2  LYS  29           HG2      LYS  29  22.159  -8.375  -1.779
  207    HG3  LYS  29           HG3      LYS  29  22.664  -7.501  -0.344
  208    HD2  LYS  29           HD2      LYS  29  21.876 -10.438  -0.364
  209    HD3  LYS  29           HD3      LYS  29  23.513  -9.793  -0.339
  210    HE2  LYS  29           HE2      LYS  29  23.038  -8.652   1.833
  211    HE3  LYS  29           HE3      LYS  29  21.414  -9.347   1.838
  212    HZ1  LYS  29           HZ1      LYS  29  23.937 -10.938   1.907
  213    HZ2  LYS  29           HZ2      LYS  29  22.945 -10.680   3.173
  214    HZ3  LYS  29           HZ3      LYS  29  22.425 -11.575   1.916
  215    H    TRP  30           H        TRP  30  18.931  -8.810  -3.798
  216    HA   TRP  30           HA       TRP  30  18.494  -6.139  -4.611
  217    HB2  TRP  30           HB2      TRP  30  19.104  -7.884  -6.172
  218    HB3  TRP  30           HB3      TRP  30  17.588  -8.742  -5.870
  219    HD1  TRP  30           HD1      TRP  30  15.853  -8.339  -7.672
  220    HE1  TRP  30           HE1      TRP  30  15.215  -6.455  -9.288
  221    HE3  TRP  30           HE3      TRP  30  19.406  -4.900  -6.341
  222    HZ2  TRP  30           HZ2      TRP  30  16.064  -3.762  -9.851
  223    HZ3  TRP  30           HZ3      TRP  30  19.418  -2.655  -7.368
  224    HH2  TRP  30           HH2      TRP  30  17.789  -2.063  -9.137
  225    H    GLU  31           H        GLU  31  16.872  -4.771  -4.635
  226    HA   GLU  31           HA       GLU  31  14.108  -5.519  -4.874
  227    HB2  GLU  31           HB2      GLU  31  14.399  -5.711  -2.388
  228    HB3  GLU  31           HB3      GLU  31  14.972  -4.042  -2.337
  229    HG2  GLU  31           HG2      GLU  31  12.780  -3.254  -3.166
  230    HG3  GLU  31           HG3      GLU  31  12.229  -4.923  -3.339
  231    H    SER  32           H        SER  32  13.043  -3.833  -5.970
  232    HA   SER  32           HA       SER  32  14.078  -1.092  -5.830
  233    HB2  SER  32           HB2      SER  32  15.390  -2.317  -7.619
  234    HB3  SER  32           HB3      SER  32  13.893  -2.242  -8.580
  235    HG   SER  32           HG       SER  32  15.459  -0.122  -7.458
  236    H    ASP  33           H        ASP  33  12.736   0.437  -7.111
  237    HA   ASP  33           HA       ASP  33   9.894  -0.139  -6.566
  238    HB2  ASP  33           HB2      ASP  33  11.087   1.924  -5.791
  239    HB3  ASP  33           HB3      ASP  33  11.208   2.439  -7.475
  240    H    TYR  34           H        TYR  34  11.897   0.121  -9.403
  241    HA   TYR  34           HA       TYR  34   9.648   0.476 -11.277
  242    HB2  TYR  34           HB2      TYR  34  11.233   0.808 -12.935
  243    HB3  TYR  34           HB3      TYR  34  11.942   1.576 -11.535
  244    HD1  TYR  34           HD1      TYR  34  13.601   0.079 -10.123
  245    HD2  TYR  34           HD2      TYR  34  12.574  -0.660 -14.244
  246    HE1  TYR  34           HE1      TYR  34  15.509  -1.452 -10.290
  247    HE2  TYR  34           HE2      TYR  34  14.526  -2.162 -14.449
  248    HH   TYR  34           HH       TYR  34  16.783  -2.788 -11.742
  249    H    THR  35           H        THR  35  10.344  -1.133 -13.389
  250    HA   THR  35           HA       THR  35   9.022  -3.568 -12.690
  251    HB   THR  35           HB       THR  35  10.375  -3.154 -15.341
  252    HG1  THR  35           HG1      THR  35   8.694  -1.755 -15.938
  253   HG21  THR  35          HG21      THR  35   7.566  -4.069 -14.529
  254   HG22  THR  35          HG22      THR  35   8.180  -3.978 -16.195
  255   HG23  THR  35          HG23      THR  35   8.886  -5.130 -15.064
  256    H    GLY  36           H        GLY  36  12.339  -2.945 -12.318
  257    HA2  GLY  36           HA2      GLY  36  14.038  -4.354 -11.702
  258    HA3  GLY  36           HA3      GLY  36  12.789  -5.584 -11.436
  259    H    ASN  37           H        ASN  37  13.356  -4.316 -14.647
  260    HA   ASN  37           HA       ASN  37  14.085  -7.017 -15.542
  261    HB2  ASN  37           HB2      ASN  37  13.613  -4.503 -17.162
  262    HB3  ASN  37           HB3      ASN  37  13.811  -6.140 -17.795
  263   HD21  ASN  37          HD21      ASN  37  10.527  -7.175 -16.576
  264   HD22  ASN  37          HD22      ASN  37  12.173  -7.783 -16.479
  265    H    LEU  38           H        LEU  38  16.081  -6.841 -14.249
  266    HA   LEU  38           HA       LEU  38  18.332  -5.767 -15.890
  267    HB2  LEU  38           HB2      LEU  38  19.524  -5.091 -14.071
  268    HB3  LEU  38           HB3      LEU  38  17.893  -4.540 -13.720
  269    HG   LEU  38           HG       LEU  38  19.299  -6.961 -12.482
  270   HD11  LEU  38          HD11      LEU  38  18.600  -4.204 -11.441
  271   HD12  LEU  38          HD12      LEU  38  19.060  -5.550 -10.393
  272   HD13  LEU  38          HD13      LEU  38  20.212  -4.956 -11.583
  273   HD21  LEU  38          HD21      LEU  38  16.866  -7.385 -12.505
  274   HD22  LEU  38          HD22      LEU  38  17.434  -7.024 -10.880
  275   HD23  LEU  38          HD23      LEU  38  16.579  -5.767 -11.803
  276    H    THR  39           H        THR  39  20.299  -6.840 -15.987
  277    HA   THR  39           HA       THR  39  20.478  -9.556 -14.796
  278    HB   THR  39           HB       THR  39  19.640  -9.759 -17.143
  279    HG1  THR  39           HG1      THR  39  21.428 -11.334 -17.541
  280   HG21  THR  39          HG21      THR  39  22.466  -8.941 -17.915
  281   HG22  THR  39          HG22      THR  39  21.197  -9.569 -18.983
  282   HG23  THR  39          HG23      THR  39  20.993  -7.986 -18.220
  283    H    ILE  40           H        ILE  40  22.709 -10.437 -14.929
  284    HA   ILE  40           HA       ILE  40  24.681  -8.258 -14.274
  285    HB   ILE  40           HB       ILE  40  24.179 -10.903 -12.882
  286   HG12  ILE  40          HG12      ILE  40  23.967  -8.091 -11.702
  287   HG13  ILE  40          HG13      ILE  40  22.580  -8.932 -12.384
  288   HG21  ILE  40          HG21      ILE  40  26.231  -8.787 -12.061
  289   HG22  ILE  40          HG22      ILE  40  25.996 -10.428 -11.398
  290   HG23  ILE  40          HG23      ILE  40  26.657 -10.229 -12.996
  291   HD11  ILE  40          HD11      ILE  40  24.227  -9.912 -10.037
  292   HD12  ILE  40          HD12      ILE  40  22.578  -9.262 -10.014
  293   HD13  ILE  40          HD13      ILE  40  22.886 -10.804 -10.814
  294    H    ASN  41           H        ASN  41  26.480  -8.348 -15.401
  295    HA   ASN  41           HA       ASN  41  27.240 -10.850 -16.839
  296    HB2  ASN  41           HB2      ASN  41  27.769  -8.006 -17.764
  297    HB3  ASN  41           HB3      ASN  41  27.917  -9.491 -18.687
  298   HD21  ASN  41          HD21      ASN  41  24.275  -7.596 -18.343
  299   HD22  ASN  41          HD22      ASN  41  25.625  -7.157 -17.303
  300    H    GLU  42           H        GLU  42  29.493 -11.416 -16.701
  301    HA   GLU  42           HA       GLU  42  31.244  -9.350 -15.533
  302    HB2  GLU  42           HB2      GLU  42  32.343 -10.709 -14.025
  303    HB3  GLU  42           HB3      GLU  42  30.642 -11.032 -13.785
  304    HG2  GLU  42           HG2      GLU  42  31.383 -13.177 -13.754
  305    HG3  GLU  42           HG3      GLU  42  31.148 -13.016 -15.494
  306    H    ARG  43           H        ARG  43  33.372  -9.283 -16.140
  307    HA   ARG  43           HA       ARG  43  34.195 -11.033 -18.415
  308    HB2  ARG  43           HB2      ARG  43  33.953  -8.674 -19.077
  309    HB3  ARG  43           HB3      ARG  43  35.086  -8.192 -17.811
  310    HG2  ARG  43           HG2      ARG  43  36.881  -9.533 -18.884
  311    HG3  ARG  43           HG3      ARG  43  35.737 -10.069 -20.132
  312    HD2  ARG  43           HD2      ARG  43  35.429  -7.730 -20.861
  313    HD3  ARG  43           HD3      ARG  43  36.563  -7.181 -19.604
  314    HE   ARG  43           HE       ARG  43  37.943  -9.119 -21.092
  315   HH11  ARG  43          HH11      ARG  43  36.585  -5.962 -21.797
  316   HH12  ARG  43          HH12      ARG  43  37.718  -5.661 -23.084
  317   HH21  ARG  43          HH21      ARG  43  39.352  -8.674 -22.750
  318   HH22  ARG  43          HH22      ARG  43  39.249  -7.161 -23.601
  319    HA   PRO  44           HA       PRO  44  36.987 -12.347 -15.150
  320    HB2  PRO  44           HB2      PRO  44  37.901 -14.633 -16.305
  321    HB3  PRO  44           HB3      PRO  44  36.240 -14.482 -15.678
  322    HG2  PRO  44           HG2      PRO  44  37.197 -14.195 -18.538
  323    HG3  PRO  44           HG3      PRO  44  35.792 -15.132 -17.926
  324    HD2  PRO  44           HD2      PRO  44  35.568 -12.601 -18.960
  325    HD3  PRO  44           HD3      PRO  44  34.488 -13.220 -17.682
  326    H    SER  45           H        SER  45  38.890 -11.356 -14.826
  327    HA   SER  45           HA       SER  45  40.777 -10.878 -17.101
  328    HB2  SER  45           HB2      SER  45  39.672  -8.830 -15.143
  329    HB3  SER  45           HB3      SER  45  41.001  -8.548 -16.287
  330    HG   SER  45           HG       SER  45  39.053  -7.847 -17.211
  331    H    ALA  46           H        ALA  46  42.260 -12.334 -16.371
  332    HA   ALA  46           HA       ALA  46  42.917 -12.858 -13.717
  333    HB1  ALA  46           HB1      ALA  46  44.579 -13.307 -16.238
  334    HB2  ALA  46           HB2      ALA  46  44.770 -14.175 -14.700
  335    HB3  ALA  46           HB3      ALA  46  43.281 -14.371 -15.641
  336    H    ARG  47           H        ARG  47  43.950 -10.101 -15.412
  337    HA   ARG  47           HA       ARG  47  46.327  -9.337 -14.063
  338    HB2  ARG  47           HB2      ARG  47  45.671  -7.059 -14.518
  339    HB3  ARG  47           HB3      ARG  47  45.255  -8.069 -15.901
  340    HG2  ARG  47           HG2      ARG  47  42.875  -8.178 -14.986
  341    HG3  ARG  47           HG3      ARG  47  43.341  -6.974 -13.786
  342    HD2  ARG  47           HD2      ARG  47  43.537  -6.562 -16.798
  343    HD3  ARG  47           HD3      ARG  47  42.153  -6.076 -15.802
  344    HE   ARG  47           HE       ARG  47  44.520  -4.955 -14.664
  345   HH11  ARG  47          HH11      ARG  47  42.501  -4.479 -17.495
  346   HH12  ARG  47          HH12      ARG  47  42.898  -2.787 -17.605
  347   HH21  ARG  47          HH21      ARG  47  44.990  -2.790 -14.874
  348   HH22  ARG  47          HH22      ARG  47  44.275  -1.864 -16.159
  349    H    ALA  48           H        ALA  48  43.040  -9.562 -12.763
  350    HA   ALA  48           HA       ALA  48  44.118  -9.510 -10.072
  351    HB1  ALA  48           HB1      ALA  48  42.222  -7.250 -10.831
  352    HB2  ALA  48           HB2      ALA  48  42.875  -7.589  -9.222
  353    HB3  ALA  48           HB3      ALA  48  43.959  -7.050 -10.510
  354    H    GLY  49           H        GLY  49  41.136  -9.709 -12.122
  355    HA2  GLY  49           HA2      GLY  49  39.830 -11.635 -10.525
  356    HA3  GLY  49           HA3      GLY  49  39.329 -10.062  -9.916
  357    H    SER  50           H        SER  50  37.445  -9.301 -10.805
  358    HA   SER  50           HA       SER  50  36.809  -9.963 -13.635
  359    HB2  SER  50           HB2      SER  50  34.469 -10.436 -12.991
  360    HB3  SER  50           HB3      SER  50  35.637 -11.672 -12.484
  361    HG   SER  50           HG       SER  50  34.168 -11.204 -10.827
  362    H    TRP  51           H        TRP  51  35.676  -8.533 -14.788
  363    HA   TRP  51           HA       TRP  51  34.891  -5.948 -13.501
  364    HB2  TRP  51           HB2      TRP  51  35.761  -6.750 -16.205
  365    HB3  TRP  51           HB3      TRP  51  34.315  -5.753 -16.199
  366    HD1  TRP  51           HD1      TRP  51  37.994  -5.495 -15.945
  367    HE1  TRP  51           HE1      TRP  51  38.723  -3.110 -15.355
  368    HE3  TRP  51           HE3      TRP  51  33.428  -3.570 -14.645
  369    HZ2  TRP  51           HZ2      TRP  51  37.452  -0.621 -14.583
  370    HZ3  TRP  51           HZ3      TRP  51  33.225  -1.173 -14.003
  371    HH2  TRP  51           HH2      TRP  51  35.198   0.306 -14.006
  372    H    ILE  52           H        ILE  52  32.929  -5.848 -12.684
  373    HA   ILE  52           HA       ILE  52  30.768  -7.629 -13.690
  374    HB   ILE  52           HB       ILE  52  30.820  -5.807 -11.252
  375   HG12  ILE  52          HG12      ILE  52  32.482  -7.495 -10.862
  376   HG13  ILE  52          HG13      ILE  52  31.056  -7.842  -9.898
  377   HG21  ILE  52          HG21      ILE  52  28.856  -7.971 -12.139
  378   HG22  ILE  52          HG22      ILE  52  28.879  -7.215 -10.532
  379   HG23  ILE  52          HG23      ILE  52  28.537  -6.230 -11.948
  380   HD11  ILE  52          HD11      ILE  52  31.770  -9.210 -12.528
  381   HD12  ILE  52          HD12      ILE  52  32.067  -9.878 -10.932
  382   HD13  ILE  52          HD13      ILE  52  30.395  -9.637 -11.484
  383    H    THR  53           H        THR  53  29.133  -6.895 -14.843
  384    HA   THR  53           HA       THR  53  28.612  -3.950 -15.056
  385    HB   THR  53           HB       THR  53  28.763  -5.852 -17.429
  386    HG1  THR  53           HG1      THR  53  30.693  -4.790 -17.912
  387   HG21  THR  53          HG21      THR  53  28.717  -2.805 -17.353
  388   HG22  THR  53          HG22      THR  53  28.636  -3.841 -18.785
  389   HG23  THR  53          HG23      THR  53  27.267  -3.796 -17.661
  390    H    ILE  54           H        ILE  54  26.560  -3.604 -14.480
  391    HA   ILE  54           HA       ILE  54  24.551  -5.773 -14.905
  392    HB   ILE  54           HB       ILE  54  24.671  -5.334 -12.664
  393   HG12  ILE  54          HG12      ILE  54  22.355  -5.542 -13.522
  394   HG13  ILE  54          HG13      ILE  54  22.537  -4.732 -11.979
  395   HG21  ILE  54          HG21      ILE  54  24.572  -2.374 -13.264
  396   HG22  ILE  54          HG22      ILE  54  24.296  -3.059 -11.642
  397   HG23  ILE  54          HG23      ILE  54  25.850  -3.305 -12.450
  398   HD11  ILE  54          HD11      ILE  54  21.807  -3.418 -14.625
  399   HD12  ILE  54          HD12      ILE  54  20.855  -3.535 -13.166
  400   HD13  ILE  54          HD13      ILE  54  22.281  -2.509 -13.173
  401    H    THR  55           H        THR  55  23.026  -5.603 -16.307
  402    HA   THR  55           HA       THR  55  22.657  -3.015 -17.736
  403    HB   THR  55           HB       THR  55  22.138  -4.446 -19.755
  404    HG1  THR  55           HG1      THR  55  22.607  -6.556 -19.706
  405   HG21  THR  55          HG21      THR  55  24.953  -4.669 -18.576
  406   HG22  THR  55          HG22      THR  55  24.521  -5.047 -20.255
  407   HG23  THR  55          HG23      THR  55  24.341  -3.399 -19.658
  408    H    VAL  56           H        VAL  56  20.632  -2.326 -18.158
  409    HA   VAL  56           HA       VAL  56  18.324  -3.925 -17.112
  410    HB   VAL  56           HB       VAL  56  18.760  -0.949 -17.371
  411   HG11  VAL  56          HG11      VAL  56  16.066  -2.376 -17.106
  412   HG12  VAL  56          HG12      VAL  56  16.348  -0.658 -16.743
  413   HG13  VAL  56          HG13      VAL  56  16.559  -1.243 -18.393
  414   HG21  VAL  56          HG21      VAL  56  19.289  -2.289 -15.269
  415   HG22  VAL  56          HG22      VAL  56  18.061  -1.026 -15.035
  416   HG23  VAL  56          HG23      VAL  56  17.572  -2.721 -15.177
  417    H    ASN  57           H        ASN  57  17.268  -4.958 -18.515
  418    HA   ASN  57           HA       ASN  57  16.645  -5.977 -20.422
  419    HB2  ASN  57           HB2      ASN  57  16.313  -3.161 -21.526
  420    HB3  ASN  57           HB3      ASN  57  15.696  -4.633 -22.255
  421   HD21  ASN  57          HD21      ASN  57  13.532  -2.890 -19.378
  422   HD22  ASN  57          HD22      ASN  57  14.972  -2.150 -20.063
  423    H    GLN  58           H        GLN  58  18.466  -3.310 -21.901
  424    HA   GLN  58           HA       GLN  58  20.567  -5.140 -22.903
  425    HB2  GLN  58           HB2      GLN  58  20.291  -4.338 -25.219
  426    HB3  GLN  58           HB3      GLN  58  18.893  -5.233 -24.637
  427    HG2  GLN  58           HG2      GLN  58  17.606  -3.184 -24.328
  428    HG3  GLN  58           HG3      GLN  58  19.018  -2.187 -24.675
  429   HE21  GLN  58          HE21      GLN  58  17.034  -4.016 -27.802
  430   HE22  GLN  58          HE22      GLN  58  16.806  -4.630 -26.171
  431    H    ASP  59           H        ASP  59  20.039  -2.473 -21.173
  432    HA   ASP  59           HA       ASP  59  22.208  -0.796 -22.404
  433    HB2  ASP  59           HB2      ASP  59  19.722  -0.062 -20.816
  434    HB3  ASP  59           HB3      ASP  59  21.036   1.060 -21.138
  435    H    VAL  60           H        VAL  60  24.015  -0.407 -21.196
  436    HA   VAL  60           HA       VAL  60  24.196  -1.501 -18.487
  437    HB   VAL  60           HB       VAL  60  26.142  -1.647 -19.897
  438   HG11  VAL  60          HG11      VAL  60  26.324   1.395 -19.850
  439   HG12  VAL  60          HG12      VAL  60  27.523   0.272 -20.516
  440   HG13  VAL  60          HG13      VAL  60  25.931   0.398 -21.270
  441   HG21  VAL  60          HG21      VAL  60  26.447  -1.458 -17.426
  442   HG22  VAL  60          HG22      VAL  60  27.833  -0.863 -18.362
  443   HG23  VAL  60          HG23      VAL  60  26.728   0.292 -17.619
  444    H    ILE  61           H        ILE  61  24.121  -0.548 -16.583
  445    HA   ILE  61           HA       ILE  61  23.761   2.430 -16.460
  446    HB   ILE  61           HB       ILE  61  22.214   1.953 -14.522
  447   HG12  ILE  61          HG12      ILE  61  21.614  -0.692 -15.847
  448   HG13  ILE  61          HG13      ILE  61  22.731  -0.570 -14.477
  449   HG21  ILE  61          HG21      ILE  61  21.197   1.240 -17.294
  450   HG22  ILE  61          HG22      ILE  61  20.256   1.952 -15.960
  451   HG23  ILE  61          HG23      ILE  61  21.542   2.889 -16.721
  452   HD11  ILE  61          HD11      ILE  61  19.851   0.424 -14.415
  453   HD12  ILE  61          HD12      ILE  61  20.427  -1.104 -13.757
  454   HD13  ILE  61          HD13      ILE  61  21.017   0.421 -13.074
  455    H    PHE  62           H        PHE  62  25.176  -0.434 -14.937
  456    HA   PHE  62           HA       PHE  62  26.927   1.362 -13.462
  457    HB2  PHE  62           HB2      PHE  62  25.215   1.242 -11.813
  458    HB3  PHE  62           HB3      PHE  62  24.986  -0.479 -12.023
  459    HD1  PHE  62           HD1      PHE  62  26.262  -2.013 -10.607
  460    HD2  PHE  62           HD2      PHE  62  27.490   2.110 -10.948
  461    HE1  PHE  62           HE1      PHE  62  28.109  -2.425  -8.989
  462    HE2  PHE  62           HE2      PHE  62  29.293   1.698  -9.296
  463    HZ   PHE  62           HZ       PHE  62  29.603  -0.567  -8.325
  464    H    GLN  63           H        GLN  63  28.848   0.409 -12.822
  465    HA   GLN  63           HA       GLN  63  29.337  -2.400 -13.205
  466    HB2  GLN  63           HB2      GLN  63  31.026  -2.192 -15.002
  467    HB3  GLN  63           HB3      GLN  63  29.399  -1.786 -15.530
  468    HG2  GLN  63           HG2      GLN  63  29.951   0.648 -15.355
  469    HG3  GLN  63           HG3      GLN  63  31.611   0.219 -14.929
  470   HE21  GLN  63          HE21      GLN  63  32.302  -1.049 -18.305
  471   HE22  GLN  63          HE22      GLN  63  32.600  -1.499 -16.634
  472    H    THR  64           H        THR  64  31.297  -3.119 -12.347
  473    HA   THR  64           HA       THR  64  33.202  -1.239 -11.129
  474    HB   THR  64           HB       THR  64  31.366  -1.208  -9.532
  475    HG1  THR  64           HG1      THR  64  32.654  -1.563  -7.781
  476   HG21  THR  64          HG21      THR  64  31.859  -4.184  -9.067
  477   HG22  THR  64          HG22      THR  64  30.692  -3.132  -8.231
  478   HG23  THR  64          HG23      THR  64  30.448  -3.529  -9.931
  479    H    PHE  65           H        PHE  65  35.013  -2.339 -10.068
  480    HA   PHE  65           HA       PHE  65  35.594  -4.938 -11.404
  481    HB2  PHE  65           HB2      PHE  65  36.940  -2.880 -11.960
  482    HB3  PHE  65           HB3      PHE  65  37.537  -2.885 -10.308
  483    HD1  PHE  65           HD1      PHE  65  37.029  -5.577 -12.916
  484    HD2  PHE  65           HD2      PHE  65  39.814  -3.492 -10.384
  485    HE1  PHE  65           HE1      PHE  65  38.847  -7.026 -13.749
  486    HE2  PHE  65           HE2      PHE  65  41.653  -4.909 -11.252
  487    HZ   PHE  65           HZ       PHE  65  41.170  -6.674 -12.949
  488    H    LEU  66           H        LEU  66  35.612  -6.704 -10.207
  489    HA   LEU  66           HA       LEU  66  35.636  -6.542  -7.257
  490    HB2  LEU  66           HB2      LEU  66  34.742  -8.584  -9.276
  491    HB3  LEU  66           HB3      LEU  66  35.116  -9.093  -7.639
  492    HG   LEU  66           HG       LEU  66  32.959  -7.106  -8.384
  493   HD11  LEU  66          HD11      LEU  66  32.781  -9.893  -7.139
  494   HD12  LEU  66          HD12      LEU  66  31.476  -8.896  -7.808
  495   HD13  LEU  66          HD13      LEU  66  32.682  -9.622  -8.877
  496   HD21  LEU  66          HD21      LEU  66  33.793  -6.539  -6.138
  497   HD22  LEU  66          HD22      LEU  66  32.267  -7.425  -5.977
  498   HD23  LEU  66          HD23      LEU  66  33.811  -8.251  -5.676
  499    H    PHE  67           H        PHE  67  36.970  -7.674  -5.966
  500    HA   PHE  67           HA       PHE  67  39.432  -8.908  -7.160
  501    HB2  PHE  67           HB2      PHE  67  39.162  -7.181  -4.680
  502    HB3  PHE  67           HB3      PHE  67  40.607  -8.078  -5.116
  503    HD1  PHE  67           HD1      PHE  67  38.397  -5.238  -6.103
  504    HD2  PHE  67           HD2      PHE  67  42.146  -7.266  -6.786
  505    HE1  PHE  67           HE1      PHE  67  39.198  -3.309  -7.439
  506    HE2  PHE  67           HE2      PHE  67  42.950  -5.319  -8.104
  507    HZ   PHE  67           HZ       PHE  67  41.481  -3.341  -8.432
  508    HA   PRO  68           HA       PRO  68  37.957 -12.399  -4.750
  509    HB2  PRO  68           HB2      PRO  68  39.811 -14.258  -5.434
  510    HB3  PRO  68           HB3      PRO  68  38.643 -13.593  -6.618
  511    HG2  PRO  68           HG2      PRO  68  41.508 -12.681  -6.138
  512    HG3  PRO  68           HG3      PRO  68  40.736 -13.116  -7.704
  513    HD2  PRO  68           HD2      PRO  68  40.938 -10.554  -6.851
  514    HD3  PRO  68           HD3      PRO  68  39.503 -11.144  -7.751
  515    H    LEU  69           H        LEU  69  41.319 -11.262  -4.370
  516    HA   LEU  69           HA       LEU  69  41.803 -12.736  -1.910
  517    HB2  LEU  69           HB2      LEU  69  43.521 -12.190  -3.624
  518    HB3  LEU  69           HB3      LEU  69  43.314 -10.472  -3.283
  519    HG   LEU  69           HG       LEU  69  44.196 -10.812  -0.986
  520   HD11  LEU  69          HD11      LEU  69  44.637 -13.693  -1.898
  521   HD12  LEU  69          HD12      LEU  69  45.325 -12.962  -0.431
  522   HD13  LEU  69          HD13      LEU  69  43.577 -13.159  -0.572
  523   HD21  LEU  69          HD21      LEU  69  45.707 -10.224  -2.840
  524   HD22  LEU  69          HD22      LEU  69  46.520 -11.242  -1.642
  525   HD23  LEU  69          HD23      LEU  69  45.974 -11.949  -3.180
  526    H    LYS  70           H        LYS  70  40.463  -9.639  -2.685
  527    HA   LYS  70           HA       LYS  70  40.907  -8.460  -0.017
  528    HB2  LYS  70           HB2      LYS  70  41.092  -7.255  -2.318
  529    HB3  LYS  70           HB3      LYS  70  39.334  -7.280  -2.339
  530    HG2  LYS  70           HG2      LYS  70  40.008  -5.143  -1.584
  531    HG3  LYS  70           HG3      LYS  70  39.363  -5.971  -0.167
  532    HD2  LYS  70           HD2      LYS  70  41.680  -6.437   0.620
  533    HD3  LYS  70           HD3      LYS  70  42.329  -5.695  -0.859
  534    HE2  LYS  70           HE2      LYS  70  41.234  -3.542  -0.243
  535    HE3  LYS  70           HE3      LYS  70  40.615  -4.279   1.237
  536    HZ1  LYS  70           HZ1      LYS  70  43.504  -3.940   0.578
  537    HZ2  LYS  70           HZ2      LYS  70  42.670  -3.043   1.654
  538    HZ3  LYS  70           HZ3      LYS  70  42.936  -4.623   1.953
  539    H    ARG  71           H        ARG  71  39.243  -7.788   1.397
  540    HA   ARG  71           HA       ARG  71  36.810  -9.506   1.335
  541    HB2  ARG  71           HB2      ARG  71  38.191  -8.048   3.616
  542    HB3  ARG  71           HB3      ARG  71  36.719  -9.020   3.774
  543    HG2  ARG  71           HG2      ARG  71  37.920 -10.999   2.861
  544    HG3  ARG  71           HG3      ARG  71  39.421 -10.068   2.823
  545    HD2  ARG  71           HD2      ARG  71  37.763 -10.620   5.322
  546    HD3  ARG  71           HD3      ARG  71  39.166 -11.558   4.838
  547    HE   ARG  71           HE       ARG  71  39.127  -8.871   6.026
  548   HH11  ARG  71          HH11      ARG  71  41.186 -11.178   4.362
  549   HH12  ARG  71          HH12      ARG  71  42.646 -10.428   4.945
  550   HH21  ARG  71          HH21      ARG  71  41.025  -7.964   6.719
  551   HH22  ARG  71          HH22      ARG  71  42.550  -8.652   6.246
  552    H    ASP  72           H        ASP  72  37.097  -6.770  -0.086
  553    HA   ASP  72           HA       ASP  72  34.793  -5.381   1.126
  554    HB2  ASP  72           HB2      ASP  72  36.453  -4.595  -1.257
  555    HB3  ASP  72           HB3      ASP  72  35.149  -3.654  -0.563
  556    H    PHE  73           H        PHE  73  35.019  -7.948  -1.047
  557    HA   PHE  73           HA       PHE  73  33.210  -7.495  -3.093
  558    HB2  PHE  73           HB2      PHE  73  34.341  -9.556  -2.984
  559    HB3  PHE  73           HB3      PHE  73  33.783  -9.920  -1.362
  560    HD1  PHE  73           HD1      PHE  73  33.085 -10.319  -4.898
  561    HD2  PHE  73           HD2      PHE  73  31.379 -10.608  -0.943
  562    HE1  PHE  73           HE1      PHE  73  31.170 -11.625  -5.812
  563    HE2  PHE  73           HE2      PHE  73  29.472 -11.886  -1.860
  564    HZ   PHE  73           HZ       PHE  73  29.341 -12.358  -4.274
  565    H    GLU  74           H        GLU  74  32.245  -8.348   0.271
  566    HA   GLU  74           HA       GLU  74  29.440  -8.461  -0.237
  567    HB2  GLU  74           HB2      GLU  74  30.829  -9.186   1.823
  568    HB3  GLU  74           HB3      GLU  74  30.697  -7.506   2.356
  569    HG2  GLU  74           HG2      GLU  74  28.202  -7.705   2.262
  570    HG3  GLU  74           HG3      GLU  74  28.376  -9.382   1.725
  571    H    LYS  75           H        LYS  75  31.546  -5.766   0.582
  572    HA   LYS  75           HA       LYS  75  29.432  -3.793   0.957
  573    HB2  LYS  75           HB2      LYS  75  32.453  -3.394   0.553
  574    HB3  LYS  75           HB3      LYS  75  31.274  -2.172   1.039
  575    HG2  LYS  75           HG2      LYS  75  31.890  -2.740   3.150
  576    HG3  LYS  75           HG3      LYS  75  30.692  -4.012   2.938
  577    HD2  LYS  75           HD2      LYS  75  32.762  -5.408   2.012
  578    HD3  LYS  75           HD3      LYS  75  33.714  -4.152   2.826
  579    HE2  LYS  75           HE2      LYS  75  32.316  -4.702   4.926
  580    HE3  LYS  75           HE3      LYS  75  31.689  -6.093   4.024
  581    HZ1  LYS  75           HZ1      LYS  75  34.548  -5.603   4.730
  582    HZ2  LYS  75           HZ2      LYS  75  33.593  -6.770   5.349
  583    HZ3  LYS  75           HZ3      LYS  75  34.069  -6.846   3.779
  584    H    THR  76           H        THR  76  31.695  -4.561  -1.711
  585    HA   THR  76           HA       THR  76  30.661  -2.768  -3.653
  586    HB   THR  76           HB       THR  76  31.855  -5.543  -4.019
  587    HG1  THR  76           HG1      THR  76  33.751  -4.308  -4.307
  588   HG21  THR  76          HG21      THR  76  31.427  -3.263  -5.997
  589   HG22  THR  76          HG22      THR  76  32.549  -4.621  -6.275
  590   HG23  THR  76          HG23      THR  76  30.812  -4.923  -6.132
  591    H    VAL  77           H        VAL  77  29.486  -6.074  -2.814
  592    HA   VAL  77           HA       VAL  77  27.379  -6.164  -4.775
  593    HB   VAL  77           HB       VAL  77  27.768  -7.570  -2.116
  594   HG11  VAL  77          HG11      VAL  77  25.487  -7.944  -4.104
  595   HG12  VAL  77          HG12      VAL  77  25.879  -9.056  -2.773
  596   HG13  VAL  77          HG13      VAL  77  25.324  -7.436  -2.404
  597   HG21  VAL  77          HG21      VAL  77  29.189  -8.205  -4.121
  598   HG22  VAL  77          HG22      VAL  77  28.197  -9.508  -3.467
  599   HG23  VAL  77          HG23      VAL  77  27.686  -8.673  -4.949
  600    H    VAL  78           H        VAL  78  27.250  -5.151  -1.297
  601    HA   VAL  78           HA       VAL  78  24.481  -4.423  -1.383
  602    HB   VAL  78           HB       VAL  78  26.742  -3.541   0.446
  603   HG11  VAL  78          HG11      VAL  78  23.744  -3.040   0.757
  604   HG12  VAL  78          HG12      VAL  78  24.954  -2.834   2.043
  605   HG13  VAL  78          HG13      VAL  78  25.017  -1.804   0.616
  606   HG21  VAL  78          HG21      VAL  78  26.071  -5.962   0.511
  607   HG22  VAL  78          HG22      VAL  78  25.713  -5.114   2.017
  608   HG23  VAL  78          HG23      VAL  78  24.406  -5.467   0.863
  609    H    ALA  79           H        ALA  79  27.412  -2.525  -2.092
  610    HA   ALA  79           HA       ALA  79  26.034  -0.003  -2.369
  611    HB1  ALA  79           HB1      ALA  79  28.716  -0.996  -3.426
  612    HB2  ALA  79           HB2      ALA  79  28.209   0.711  -3.277
  613    HB3  ALA  79           HB3      ALA  79  28.427  -0.285  -1.823
  614    H    ALA  80           H        ALA  80  26.757  -2.652  -4.690
  615    HA   ALA  80           HA       ALA  80  26.032  -1.205  -7.058
  616    HB1  ALA  80           HB1      ALA  80  25.832  -4.195  -6.447
  617    HB2  ALA  80           HB2      ALA  80  25.876  -3.436  -8.053
  618    HB3  ALA  80           HB3      ALA  80  27.301  -3.357  -6.992
  619    H    LEU  81           H        LEU  81  24.054  -2.705  -4.542
  620    HA   LEU  81           HA       LEU  81  21.595  -2.950  -6.030
  621    HB2  LEU  81           HB2      LEU  81  21.825  -2.281  -3.069
  622    HB3  LEU  81           HB3      LEU  81  20.490  -3.067  -3.885
  623    HG   LEU  81           HG       LEU  81  23.242  -4.273  -3.511
  624   HD11  LEU  81          HD11      LEU  81  20.685  -4.804  -1.978
  625   HD12  LEU  81          HD12      LEU  81  22.249  -5.638  -1.775
  626   HD13  LEU  81          HD13      LEU  81  22.102  -3.921  -1.370
  627   HD21  LEU  81          HD21      LEU  81  22.009  -5.266  -5.423
  628   HD22  LEU  81          HD22      LEU  81  22.201  -6.413  -4.088
  629   HD23  LEU  81          HD23      LEU  81  20.643  -5.612  -4.333
  630    H    ILE  82           H        ILE  82  22.843  -0.356  -3.922
  631    HA   ILE  82           HA       ILE  82  20.723   1.531  -4.452
  632    HB   ILE  82           HB       ILE  82  23.549   1.993  -3.411
  633   HG12  ILE  82          HG12      ILE  82  20.919   1.660  -1.885
  634   HG13  ILE  82          HG13      ILE  82  22.153   0.411  -2.029
  635   HG21  ILE  82          HG21      ILE  82  21.078   3.794  -3.290
  636   HG22  ILE  82          HG22      ILE  82  22.644   4.133  -2.521
  637   HG23  ILE  82          HG23      ILE  82  22.533   4.092  -4.266
  638   HD11  ILE  82          HD11      ILE  82  22.460   3.050  -0.567
  639   HD12  ILE  82          HD12      ILE  82  22.418   1.417   0.106
  640   HD13  ILE  82          HD13      ILE  82  23.798   1.916  -0.893
  641    H    GLN  83           H        GLN  83  24.037   1.173  -5.836
  642    HA   GLN  83           HA       GLN  83  23.789   3.458  -7.543
  643    HB2  GLN  83           HB2      GLN  83  25.607   1.022  -7.657
  644    HB3  GLN  83           HB3      GLN  83  25.774   2.420  -8.731
  645    HG2  GLN  83           HG2      GLN  83  26.129   3.929  -6.895
  646    HG3  GLN  83           HG3      GLN  83  25.775   2.701  -5.690
  647   HE21  GLN  83          HE21      GLN  83  28.951   1.028  -6.057
  648   HE22  GLN  83          HE22      GLN  83  27.233   0.720  -5.729
  649    H    THR  84           H        THR  84  22.686   0.149  -8.022
  650    HA   THR  84           HA       THR  84  22.091   0.344 -10.838
  651    HB   THR  84           HB       THR  84  20.804  -1.328  -8.652
  652    HG1  THR  84           HG1      THR  84  22.924  -1.883  -8.957
  653   HG21  THR  84          HG21      THR  84  20.714  -1.690 -11.654
  654   HG22  THR  84          HG22      THR  84  20.087  -2.803 -10.427
  655   HG23  THR  84          HG23      THR  84  19.324  -1.219 -10.656
  656    H    GLU  85           H        GLU  85  20.082   1.155  -7.882
  657    HA   GLU  85           HA       GLU  85  17.901   2.018  -9.655
  658    HB2  GLU  85           HB2      GLU  85  16.743   2.758  -7.722
  659    HB3  GLU  85           HB3      GLU  85  17.332   1.122  -7.459
  660    HG2  GLU  85           HG2      GLU  85  18.937   1.820  -5.881
  661    HG3  GLU  85           HG3      GLU  85  18.875   3.508  -6.392
  662    H    GLU  86           H        GLU  86  20.624   3.662  -8.008
  663    HA   GLU  86           HA       GLU  86  19.729   6.284  -8.400
  664    HB2  GLU  86           HB2      GLU  86  22.494   5.087  -8.235
  665    HB3  GLU  86           HB3      GLU  86  22.255   6.828  -8.381
  666    HG2  GLU  86           HG2      GLU  86  20.787   5.248  -6.253
  667    HG3  GLU  86           HG3      GLU  86  22.446   5.793  -6.006
  668    H    ALA  87           H        ALA  87  21.206   4.184 -10.826
  669    HA   ALA  87           HA       ALA  87  21.515   6.176 -12.887
  670    HB1  ALA  87           HB1      ALA  87  20.839   3.194 -13.080
  671    HB2  ALA  87           HB2      ALA  87  21.460   4.219 -14.387
  672    HB3  ALA  87           HB3      ALA  87  22.480   3.883 -12.972
  673    H    LEU  88           H        LEU  88  18.738   4.168 -11.836
  674    HA   LEU  88           HA       LEU  88  17.042   5.061 -14.067
  675    HB2  LEU  88           HB2      LEU  88  16.371   3.331 -11.677
  676    HB3  LEU  88           HB3      LEU  88  15.428   3.485 -13.158
  677    HG   LEU  88           HG       LEU  88  18.147   2.145 -12.807
  678   HD11  LEU  88          HD11      LEU  88  15.432   1.067 -13.631
  679   HD12  LEU  88          HD12      LEU  88  16.929   0.134 -13.385
  680   HD13  LEU  88          HD13      LEU  88  16.152   0.930 -12.007
  681   HD21  LEU  88          HD21      LEU  88  18.201   3.154 -14.982
  682   HD22  LEU  88          HD22      LEU  88  17.841   1.438 -15.197
  683   HD23  LEU  88          HD23      LEU  88  16.523   2.622 -15.332
  684    H    ASN  89           H        ASN  89  17.553   5.867 -10.734
  685    HA   ASN  89           HA       ASN  89  15.201   7.197 -10.072
  686    HB2  ASN  89           HB2      ASN  89  18.067   7.345  -9.171
  687    HB3  ASN  89           HB3      ASN  89  16.942   8.519  -8.548
  688   HD21  ASN  89          HD21      ASN  89  17.020   5.548  -6.254
  689   HD22  ASN  89          HD22      ASN  89  18.195   6.769  -6.790
  690    H    ARG  90           H        ARG  90  17.869   8.418 -11.993
  691    HA   ARG  90           HA       ARG  90  16.505  11.076 -12.332
  692    HB2  ARG  90           HB2      ARG  90  19.254   9.977 -13.036
  693    HB3  ARG  90           HB3      ARG  90  18.646  11.448 -13.782
  694    HG2  ARG  90           HG2      ARG  90  20.088  11.979 -11.920
  695    HG3  ARG  90           HG3      ARG  90  18.453  12.580 -11.656
  696    HD2  ARG  90           HD2      ARG  90  17.999  10.804 -10.040
  697    HD3  ARG  90           HD3      ARG  90  19.511   9.993 -10.455
  698    HE   ARG  90           HE       ARG  90  20.717  11.461  -9.155
  699   HH11  ARG  90          HH11      ARG  90  17.477  12.831  -9.362
  700   HH12  ARG  90          HH12      ARG  90  17.814  13.999  -8.120
  701   HH21  ARG  90          HH21      ARG  90  21.052  12.975  -7.592
  702   HH22  ARG  90          HH22      ARG  90  19.784  14.079  -7.150
  703    H    ARG  91           H        ARG  91  16.486   8.071 -13.897
  704    HA   ARG  91           HA       ARG  91  15.951   9.128 -16.639
  705    HB2  ARG  91           HB2      ARG  91  15.871   6.337 -15.436
  706    HB3  ARG  91           HB3      ARG  91  15.472   6.689 -17.120
  707    HG2  ARG  91           HG2      ARG  91  17.707   7.415 -17.608
  708    HG3  ARG  91           HG3      ARG  91  18.166   7.382 -15.907
  709    HD2  ARG  91           HD2      ARG  91  18.745   5.191 -16.075
  710    HD3  ARG  91           HD3      ARG  91  17.114   4.766 -16.509
  711    HE   ARG  91           HE       ARG  91  19.410   5.360 -18.333
  712   HH11  ARG  91          HH11      ARG  91  16.051   4.283 -18.235
  713   HH12  ARG  91          HH12      ARG  91  16.106   3.755 -19.888
  714   HH21  ARG  91          HH21      ARG  91  19.374   4.664 -20.415
  715   HH22  ARG  91          HH22      ARG  91  17.933   3.961 -21.084
  716    H    GLN  92           H        GLN  92  14.200   7.351 -14.130
  717    HA   GLN  92           HA       GLN  92  11.585   8.359 -15.182
  718    HB2  GLN  92           HB2      GLN  92  10.758   5.987 -15.120
  719    HB3  GLN  92           HB3      GLN  92  11.874   6.381 -16.429
  720    HG2  GLN  92           HG2      GLN  92  13.703   5.203 -15.319
  721    HG3  GLN  92           HG3      GLN  92  12.725   4.925 -13.881
  722   HE21  GLN  92          HE21      GLN  92  10.827   2.259 -15.422
  723   HE22  GLN  92          HE22      GLN  92  10.726   3.484 -14.169
  724    H    ILE  93           H        ILE  93  13.163   6.728 -12.416
  725    HA   ILE  93           HA       ILE  93  10.660   6.331 -11.068
  726    HB   ILE  93           HB       ILE  93  13.332   6.416  -9.648
  727   HG12  ILE  93          HG12      ILE  93  12.115   4.174 -11.321
  728   HG13  ILE  93          HG13      ILE  93  13.648   5.002 -11.608
  729   HG21  ILE  93          HG21      ILE  93  10.808   4.784  -9.141
  730   HG22  ILE  93          HG22      ILE  93  12.279   4.801  -8.138
  731   HG23  ILE  93          HG23      ILE  93  11.280   6.231  -8.225
  732   HD11  ILE  93          HD11      ILE  93  13.089   3.069  -9.337
  733   HD12  ILE  93          HD12      ILE  93  14.103   2.813 -10.758
  734   HD13  ILE  93          HD13      ILE  93  14.594   4.008  -9.545
  735    H    ASN  94           H        ASN  94  12.575   9.179 -11.342
  736    HA   ASN  94           HA       ASN  94  11.698  10.750  -9.161
  737    HB2  ASN  94           HB2      ASN  94  11.760  12.699 -10.788
  738    HB3  ASN  94           HB3      ASN  94  13.225  11.812 -10.420
  739   HD21  ASN  94          HD21      ASN  94  13.772  10.682 -13.641
  740   HD22  ASN  94          HD22      ASN  94  14.240  10.601 -11.948
  741    H    GLN  95           H        GLN  95   9.886   9.877 -12.087
  742    HA   GLN  95           HA       GLN  95   7.594  11.530 -11.696
  743    HB2  GLN  95           HB2      GLN  95   7.783   8.767 -12.956
  744    HB3  GLN  95           HB3      GLN  95   6.464   9.911 -13.193
  745    HG2  GLN  95           HG2      GLN  95   7.931  11.485 -14.340
  746    HG3  GLN  95           HG3      GLN  95   9.350  10.491 -14.012
  747   HE21  GLN  95          HE21      GLN  95   8.431   7.924 -16.395
  748   HE22  GLN  95          HE22      GLN  95   9.085   8.121 -14.759
  749    H    ALA  96           H        ALA  96   8.436   8.393 -10.246
  750    HA   ALA  96           HA       ALA  96   5.778   8.072  -8.994
  751    HB1  ALA  96           HB1      ALA  96   8.301   6.365  -8.879
  752    HB2  ALA  96           HB2      ALA  96   6.709   5.937  -8.221
  753    HB3  ALA  96           HB3      ALA  96   6.917   6.128  -9.971
  754    H    LEU  97           H        LEU  97   9.197   8.546  -7.913
  755    HA   LEU  97           HA       LEU  97   8.512   8.575  -5.141
  756    HB2  LEU  97           HB2      LEU  97  10.783   9.204  -4.731
  757    HB3  LEU  97           HB3      LEU  97  10.679   7.968  -5.977
  758    HG   LEU  97           HG       LEU  97  10.819  10.067  -7.575
  759   HD11  LEU  97          HD11      LEU  97  12.388  11.017  -5.140
  760   HD12  LEU  97          HD12      LEU  97  12.405  11.780  -6.743
  761   HD13  LEU  97          HD13      LEU  97  10.931  11.796  -5.775
  762   HD21  LEU  97          HD21      LEU  97  12.460   8.188  -7.516
  763   HD22  LEU  97          HD22      LEU  97  13.307   9.735  -7.688
  764   HD23  LEU  97          HD23      LEU  97  13.248   8.923  -6.110
  765    H    LEU  98           H        LEU  98   8.587  11.216  -7.451
  766    HA   LEU  98           HA       LEU  98   8.452  13.406  -5.595
  767    HB2  LEU  98           HB2      LEU  98   9.013  13.713  -7.962
  768    HB3  LEU  98           HB3      LEU  98   7.445  13.057  -8.448
  769    HG   LEU  98           HG       LEU  98   6.298  14.986  -7.394
  770   HD11  LEU  98          HD11      LEU  98   9.127  16.071  -6.997
  771   HD12  LEU  98          HD12      LEU  98   7.624  17.000  -6.798
  772   HD13  LEU  98          HD13      LEU  98   7.976  15.655  -5.709
  773   HD21  LEU  98          HD21      LEU  98   6.873  14.998  -9.789
  774   HD22  LEU  98          HD22      LEU  98   6.952  16.629  -9.106
  775   HD23  LEU  98          HD23      LEU  98   8.453  15.725  -9.418
  776    H    SER  99           H        SER  99   5.956  11.333  -7.093
  777    HA   SER  99           HA       SER  99   3.780  12.834  -5.954
  778    HB2  SER  99           HB2      SER  99   3.813  10.129  -7.335
  779    HB3  SER  99           HB3      SER  99   2.354  11.048  -6.916
  780    HG   SER  99           HG       SER  99   3.070  11.412  -9.104
  781    H    THR 100           H        THR 100   5.795  10.398  -4.637
  782    HA   THR 100           HA       THR 100   4.515  10.278  -2.159
  783    HB   THR 100           HB       THR 100   2.789   8.920  -3.071
  784    HG1  THR 100           HG1      THR 100   3.027   7.139  -1.751
  785   HG21  THR 100          HG21      THR 100   4.782   6.845  -4.052
  786   HG22  THR 100          HG22      THR 100   3.015   6.799  -4.152
  787   HG23  THR 100          HG23      THR 100   3.915   7.985  -5.103
  788    H    GLY 101           H        GLY 101   6.332  10.543  -1.240
  789    HA2  GLY 101           HA2      GLY 101   7.978   9.556   0.162
  790    HA3  GLY 101           HA3      GLY 101   8.111   8.186  -0.936
  791    H    ASP 102           H        ASP 102   8.648  11.731  -0.978
  792    HA   ASP 102           HA       ASP 102  10.803  11.832  -2.815
  793    HB2  ASP 102           HB2      ASP 102  10.306  13.588  -0.384
  794    HB3  ASP 102           HB3      ASP 102  11.422  13.954  -1.686
  795    H    LEU 103           H        LEU 103  13.088  12.125  -2.487
  796    HA   LEU 103           HA       LEU 103  14.178  10.047  -0.833
  797    HB2  LEU 103           HB2      LEU 103  15.050  10.462  -2.993
  798    HB3  LEU 103           HB3      LEU 103  15.458  12.136  -2.611
  799    HG   LEU 103           HG       LEU 103  16.763  10.068  -0.882
  800   HD11  LEU 103          HD11      LEU 103  17.557  10.478  -3.795
  801   HD12  LEU 103          HD12      LEU 103  18.494   9.578  -2.581
  802   HD13  LEU 103          HD13      LEU 103  16.906   8.983  -3.089
  803   HD21  LEU 103          HD21      LEU 103  17.324  12.483  -0.664
  804   HD22  LEU 103          HD22      LEU 103  18.719  11.511  -1.145
  805   HD23  LEU 103          HD23      LEU 103  17.867  12.497  -2.351
  806    H    ALA 104           H        ALA 104  15.054  10.038   1.042
  807    HA   ALA 104           HA       ALA 104  16.690  12.256   1.949
  808    HB1  ALA 104           HB1      ALA 104  14.435  11.227   3.753
  809    HB2  ALA 104           HB2      ALA 104  15.640  12.454   4.201
  810    HB3  ALA 104           HB3      ALA 104  14.450  12.806   2.942
  811    H    HIS 105           H        HIS 105  17.028   9.405   1.123
  812    HA   HIS 105           HA       HIS 105  17.973   8.010   3.553
  813    HB2  HIS 105           HB2      HIS 105  16.712   6.793   1.853
  814    HB3  HIS 105           HB3      HIS 105  17.920   7.184   0.628
  815    HD2  HIS 105           HD2      HIS 105  19.954   5.566   0.398
  816    HE1  HIS 105           HE1      HIS 105  19.366   3.204   3.903
  817    HE2  HIS 105           HE2      HIS 105  20.738   3.456   1.773
  818    H    ASP 106           H        ASP 106  19.465   9.179   0.504
  819    HA   ASP 106           HA       ASP 106  22.047   9.632   1.844
  820    HB2  ASP 106           HB2      ASP 106  22.131   7.244   1.238
  821    HB3  ASP 106           HB3      ASP 106  21.701   7.627  -0.427
  822    H    GLU 107           H        GLU 107  21.771  11.820   1.346
  823    HA   GLU 107           HA       GLU 107  20.853  12.728  -1.238
  824    HB2  GLU 107           HB2      GLU 107  22.101  14.221   1.095
  825    HB3  GLU 107           HB3      GLU 107  21.408  14.983  -0.339
  826    HG2  GLU 107           HG2      GLU 107  19.210  13.970   0.145
  827    HG3  GLU 107           HG3      GLU 107  19.865  13.201   1.593
  828    H    PHE 108           H        PHE 108  24.115  12.608   0.213
  829    HA   PHE 108           HA       PHE 108  25.391  13.063  -2.414
  830    HB2  PHE 108           HB2      PHE 108  25.886  14.823   0.017
  831    HB3  PHE 108           HB3      PHE 108  26.896  14.782  -1.415
  832    HD1  PHE 108           HD1      PHE 108  23.838  16.120   0.048
  833    HD2  PHE 108           HD2      PHE 108  25.979  15.532  -3.647
  834    HE1  PHE 108           HE1      PHE 108  22.430  17.856  -1.045
  835    HE2  PHE 108           HE2      PHE 108  24.569  17.266  -4.740
  836    HZ   PHE 108           HZ       PHE 108  22.794  18.428  -3.439
  Start of MODEL   19
    1    H1   ALA   1           H1       ALA   1  -3.309  -1.318  -2.128
    2    H2   ALA   1           H2       ALA   1  -4.147  -2.715  -2.285
    3    H3   ALA   1           H3       ALA   1  -4.324  -1.528  -3.398
    4    HA   ALA   1           HA       ALA   1  -2.966  -3.298  -4.287
    5    HB1  ALA   1           HB1      ALA   1  -1.376  -0.734  -3.782
    6    HB2  ALA   1           HB2      ALA   1  -1.058  -1.935  -5.051
    7    HB3  ALA   1           HB3      ALA   1  -2.551  -0.990  -5.092
    8    H    VAL   2           H        VAL   2  -0.844  -4.380  -4.293
    9    HA   VAL   2           HA       VAL   2   0.698  -4.424  -1.786
   10    HB   VAL   2           HB       VAL   2  -1.094  -6.035  -1.359
   11   HG11  VAL   2          HG11      VAL   2  -0.042  -7.654  -3.714
   12   HG12  VAL   2          HG12      VAL   2  -1.294  -8.142  -2.559
   13   HG13  VAL   2          HG13      VAL   2  -1.598  -6.796  -3.662
   14   HG21  VAL   2          HG21      VAL   2   1.164  -6.395  -0.402
   15   HG22  VAL   2          HG22      VAL   2   0.253  -7.894  -0.637
   16   HG23  VAL   2          HG23      VAL   2   1.551  -7.471  -1.764
   17    H    GLU   3           H        GLU   3   2.798  -5.074  -2.040
   18    HA   GLU   3           HA       GLU   3   3.798  -5.267  -4.814
   19    HB2  GLU   3           HB2      GLU   3   6.013  -5.011  -3.830
   20    HB3  GLU   3           HB3      GLU   3   4.939  -3.661  -3.515
   21    HG2  GLU   3           HG2      GLU   3   5.477  -5.833  -1.443
   22    HG3  GLU   3           HG3      GLU   3   6.494  -4.421  -1.639
   23    H    VAL   4           H        VAL   4   4.669  -7.017  -5.761
   24    HA   VAL   4           HA       VAL   4   5.144  -9.519  -4.232
   25    HB   VAL   4           HB       VAL   4   3.356  -9.384  -6.698
   26   HG11  VAL   4          HG11      VAL   4   4.031 -11.702  -4.823
   27   HG12  VAL   4          HG12      VAL   4   2.836 -11.755  -6.134
   28   HG13  VAL   4          HG13      VAL   4   4.534 -11.548  -6.525
   29   HG21  VAL   4          HG21      VAL   4   2.078  -8.479  -4.827
   30   HG22  VAL   4          HG22      VAL   4   1.498 -10.095  -5.210
   31   HG23  VAL   4          HG23      VAL   4   2.551  -9.852  -3.799
   32    H    GLU   5           H        GLU   5   6.595 -10.942  -5.293
   33    HA   GLU   5           HA       GLU   5   8.531  -9.685  -7.062
   34    HB2  GLU   5           HB2      GLU   5   8.370 -12.488  -5.898
   35    HB3  GLU   5           HB3      GLU   5   9.749 -11.827  -6.792
   36    HG2  GLU   5           HG2      GLU   5  10.035 -10.060  -5.092
   37    HG3  GLU   5           HG3      GLU   5   8.675 -10.704  -4.172
   38    H    VAL   6           H        VAL   6   6.441  -9.490  -8.563
   39    HA   VAL   6           HA       VAL   6   5.894 -11.753 -10.302
   40    HB   VAL   6           HB       VAL   6   4.990  -8.873 -10.267
   41   HG11  VAL   6          HG11      VAL   6   4.260 -10.998 -12.339
   42   HG12  VAL   6          HG12      VAL   6   3.401  -9.462 -12.095
   43   HG13  VAL   6          HG13      VAL   6   5.069  -9.445 -12.664
   44   HG21  VAL   6          HG21      VAL   6   4.030 -10.472  -8.637
   45   HG22  VAL   6          HG22      VAL   6   2.826  -9.898  -9.797
   46   HG23  VAL   6          HG23      VAL   6   3.521 -11.525  -9.969
   47    HA   PRO   7           HA       PRO   7   8.572  -9.751 -13.612
   48    HB2  PRO   7           HB2      PRO   7   9.913  -7.441 -13.397
   49    HB3  PRO   7           HB3      PRO   7   8.144  -7.433 -13.662
   50    HG2  PRO   7           HG2      PRO   7   9.592  -7.180 -11.005
   51    HG3  PRO   7           HG3      PRO   7   8.302  -6.118 -11.658
   52    HD2  PRO   7           HD2      PRO   7   7.762  -8.160  -9.931
   53    HD3  PRO   7           HD3      PRO   7   6.638  -7.724 -11.256
   54    H    GLY   8           H        GLY   8  10.877  -9.566 -14.154
   55    HA2  GLY   8           HA2      GLY   8  13.138  -9.128 -12.963
   56    HA3  GLY   8           HA3      GLY   8  12.761 -10.589 -12.057
   57    H    LEU   9           H        LEU   9  14.823  -9.735 -14.241
   58    HA   LEU   9           HA       LEU   9  14.819 -12.399 -15.475
   59    HB2  LEU   9           HB2      LEU   9  15.155 -11.806 -17.652
   60    HB3  LEU   9           HB3      LEU   9  13.792 -10.857 -17.109
   61    HG   LEU   9           HG       LEU   9  16.622  -9.838 -17.669
   62   HD11  LEU   9          HD11      LEU   9  13.947  -9.325 -19.016
   63   HD12  LEU   9          HD12      LEU   9  15.519  -8.634 -19.484
   64   HD13  LEU   9          HD13      LEU   9  15.239 -10.375 -19.639
   65   HD21  LEU   9          HD21      LEU   9  15.697  -8.533 -15.849
   66   HD22  LEU   9          HD22      LEU   9  15.680  -7.599 -17.358
   67   HD23  LEU   9          HD23      LEU   9  14.163  -8.331 -16.759
   68    H    LEU  10           H        LEU  10  16.255 -11.548 -13.219
   69    HA   LEU  10           HA       LEU  10  19.005 -10.920 -13.807
   70    HB2  LEU  10           HB2      LEU  10  17.602 -12.243 -11.464
   71    HB3  LEU  10           HB3      LEU  10  19.345 -12.214 -11.541
   72    HG   LEU  10           HG       LEU  10  17.902  -9.612 -11.922
   73   HD11  LEU  10          HD11      LEU  10  18.379 -10.945  -9.218
   74   HD12  LEU  10          HD12      LEU  10  17.905  -9.250  -9.454
   75   HD13  LEU  10          HD13      LEU  10  16.799 -10.548  -9.932
   76   HD21  LEU  10          HD21      LEU  10  20.385  -9.743 -12.107
   77   HD22  LEU  10          HD22      LEU  10  19.876  -8.717 -10.753
   78   HD23  LEU  10          HD23      LEU  10  20.457 -10.362 -10.432
   79    H    THR  11           H        THR  11  20.146 -12.104 -15.223
   80    HA   THR  11           HA       THR  11  20.108 -15.077 -14.967
   81    HB   THR  11           HB       THR  11  20.859 -13.340 -17.322
   82    HG1  THR  11           HG1      THR  11  19.035 -14.304 -18.207
   83   HG21  THR  11          HG21      THR  11  20.998 -16.366 -16.942
   84   HG22  THR  11          HG22      THR  11  20.993 -15.573 -18.528
   85   HG23  THR  11          HG23      THR  11  22.319 -15.261 -17.406
   86    H    ASP  12           H        ASP  12  21.861 -16.190 -14.545
   87    HA   ASP  12           HA       ASP  12  24.302 -14.973 -13.589
   88    HB2  ASP  12           HB2      ASP  12  24.961 -17.251 -13.120
   89    HB3  ASP  12           HB3      ASP  12  23.345 -16.940 -12.525
   90    H    HIS  13           H        HIS  13  24.369 -13.826 -15.846
   91    HA   HIS  13           HA       HIS  13  25.861 -15.352 -17.906
   92    HB2  HIS  13           HB2      HIS  13  24.923 -12.478 -17.707
   93    HB3  HIS  13           HB3      HIS  13  26.037 -13.015 -18.958
   94    HD2  HIS  13           HD2      HIS  13  24.780 -15.647 -20.006
   95    HE1  HIS  13           HE1      HIS  13  21.264 -13.344 -20.722
   96    HE2  HIS  13           HE2      HIS  13  22.507 -15.484 -21.326
   97    H    THR  14           H        THR  14  27.054 -15.724 -15.569
   98    HA   THR  14           HA       THR  14  29.488 -14.078 -15.655
   99    HB   THR  14           HB       THR  14  29.556 -14.032 -13.187
  100    HG1  THR  14           HG1      THR  14  27.615 -14.507 -12.085
  101   HG21  THR  14          HG21      THR  14  26.923 -12.846 -14.134
  102   HG22  THR  14          HG22      THR  14  27.936 -12.319 -12.778
  103   HG23  THR  14          HG23      THR  14  28.511 -12.106 -14.439
  104    H    VAL  15           H        VAL  15  31.432 -15.133 -15.477
  105    HA   VAL  15           HA       VAL  15  31.382 -18.073 -14.936
  106    HB   VAL  15           HB       VAL  15  32.756 -18.462 -16.921
  107   HG11  VAL  15          HG11      VAL  15  30.135 -17.088 -17.586
  108   HG12  VAL  15          HG12      VAL  15  30.965 -18.347 -18.523
  109   HG13  VAL  15          HG13      VAL  15  30.297 -18.728 -16.925
  110   HG21  VAL  15          HG21      VAL  15  33.733 -16.211 -17.298
  111   HG22  VAL  15          HG22      VAL  15  32.911 -16.832 -18.735
  112   HG23  VAL  15          HG23      VAL  15  32.129 -15.588 -17.737
  113    H    SER  16           H        SER  16  32.268 -16.127 -13.151
  114    HA   SER  16           HA       SER  16  35.227 -16.660 -12.968
  115    HB2  SER  16           HB2      SER  16  35.160 -14.394 -13.433
  116    HB3  SER  16           HB3      SER  16  33.624 -14.157 -12.592
  117    HG   SER  16           HG       SER  16  36.198 -14.131 -11.569
  118    H    SER  17           H        SER  17  36.124 -17.091 -10.930
  119    HA   SER  17           HA       SER  17  34.595 -18.504  -9.031
  120    HB2  SER  17           HB2      SER  17  37.245 -17.078  -8.582
  121    HB3  SER  17           HB3      SER  17  36.585 -18.416  -7.621
  122    HG   SER  17           HG       SER  17  38.096 -19.162  -9.196
  123    H    ILE  18           H        ILE  18  35.328 -15.037  -9.130
  124    HA   ILE  18           HA       ILE  18  33.666 -14.570  -6.685
  125    HB   ILE  18           HB       ILE  18  34.343 -12.085  -7.351
  126   HG12  ILE  18          HG12      ILE  18  36.789 -13.632  -8.306
  127   HG13  ILE  18          HG13      ILE  18  35.574 -12.915  -9.381
  128   HG21  ILE  18          HG21      ILE  18  36.202 -14.005  -5.895
  129   HG22  ILE  18          HG22      ILE  18  36.119 -12.236  -5.680
  130   HG23  ILE  18          HG23      ILE  18  34.755 -13.236  -5.200
  131   HD11  ILE  18          HD11      ILE  18  37.081 -11.196  -7.450
  132   HD12  ILE  18          HD12      ILE  18  37.685 -11.622  -9.073
  133   HD13  ILE  18          HD13      ILE  18  36.166 -10.765  -8.916
  134    H    GLY  19           H        GLY  19  33.671 -13.810 -10.222
  135    HA2  GLY  19           HA2      GLY  19  31.351 -12.133 -10.039
  136    HA3  GLY  19           HA3      GLY  19  31.977 -12.876 -11.514
  137    H    HIS  20           H        HIS  20  31.562 -15.667 -10.343
  138    HA   HIS  20           HA       HIS  20  28.770 -16.104 -10.985
  139    HB2  HIS  20           HB2      HIS  20  30.523 -17.793 -11.341
  140    HB3  HIS  20           HB3      HIS  20  30.806 -17.882  -9.601
  141    HD2  HIS  20           HD2      HIS  20  27.141 -17.733 -10.665
  142    HE1  HIS  20           HE1      HIS  20  27.946 -21.828  -9.795
  143    HE2  HIS  20           HE2      HIS  20  26.116 -20.140 -10.340
  144    H    ASP  21           H        ASP  21  30.591 -15.737  -7.922
  145    HA   ASP  21           HA       ASP  21  28.244 -16.262  -6.264
  146    HB2  ASP  21           HB2      ASP  21  31.089 -15.406  -5.732
  147    HB3  ASP  21           HB3      ASP  21  29.855 -15.193  -4.496
  148    H    PHE  22           H        PHE  22  29.776 -13.283  -7.596
  149    HA   PHE  22           HA       PHE  22  28.209 -11.380  -6.200
  150    HB2  PHE  22           HB2      PHE  22  30.017 -10.847  -7.850
  151    HB3  PHE  22           HB3      PHE  22  28.957 -11.316  -9.153
  152    HD1  PHE  22           HD1      PHE  22  26.871 -10.027  -9.623
  153    HD2  PHE  22           HD2      PHE  22  29.726  -8.643  -6.721
  154    HE1  PHE  22           HE1      PHE  22  25.856  -7.764  -9.719
  155    HE2  PHE  22           HE2      PHE  22  28.766  -6.359  -6.875
  156    HZ   PHE  22           HZ       PHE  22  26.831  -5.925  -8.379
  157    H    TYR  23           H        TYR  23  27.275 -13.303  -9.087
  158    HA   TYR  23           HA       TYR  23  24.703 -12.177  -9.470
  159    HB2  TYR  23           HB2      TYR  23  25.614 -13.723 -11.091
  160    HB3  TYR  23           HB3      TYR  23  25.687 -15.020  -9.892
  161    HD1  TYR  23           HD1      TYR  23  23.337 -12.910 -11.857
  162    HD2  TYR  23           HD2      TYR  23  23.839 -16.410  -9.399
  163    HE1  TYR  23           HE1      TYR  23  20.979 -13.548 -12.280
  164    HE2  TYR  23           HE2      TYR  23  21.489 -17.087  -9.875
  165    HH   TYR  23           HH       TYR  23  19.314 -15.156 -11.967
  166    H    ARG  24           H        ARG  24  25.593 -14.962  -7.417
  167    HA   ARG  24           HA       ARG  24  22.925 -15.445  -6.429
  168    HB2  ARG  24           HB2      ARG  24  25.571 -16.265  -5.137
  169    HB3  ARG  24           HB3      ARG  24  23.979 -16.980  -4.872
  170    HG2  ARG  24           HG2      ARG  24  23.982 -17.580  -7.382
  171    HG3  ARG  24           HG3      ARG  24  25.667 -17.080  -7.407
  172    HD2  ARG  24           HD2      ARG  24  25.690 -19.430  -7.159
  173    HD3  ARG  24           HD3      ARG  24  26.160 -18.743  -5.591
  174    HE   ARG  24           HE       ARG  24  23.313 -19.201  -5.676
  175   HH11  ARG  24          HH11      ARG  24  26.272 -21.059  -5.400
  176   HH12  ARG  24          HH12      ARG  24  25.480 -22.374  -4.576
  177   HH21  ARG  24          HH21      ARG  24  22.366 -20.903  -4.600
  178   HH22  ARG  24          HH22      ARG  24  23.321 -22.280  -4.137
  179    H    ALA  25           H        ALA  25  25.704 -13.747  -4.994
  180    HA   ALA  25           HA       ALA  25  24.383 -13.044  -2.543
  181    HB1  ALA  25           HB1      ALA  25  26.726 -11.698  -3.962
  182    HB2  ALA  25           HB2      ALA  25  26.316 -11.577  -2.232
  183    HB3  ALA  25           HB3      ALA  25  26.861 -13.125  -2.905
  184    H    PHE  26           H        PHE  26  24.749 -11.196  -5.639
  185    HA   PHE  26           HA       PHE  26  23.433  -8.848  -4.700
  186    HB2  PHE  26           HB2      PHE  26  24.798  -8.918  -6.723
  187    HB3  PHE  26           HB3      PHE  26  23.711 -10.047  -7.490
  188    HD1  PHE  26           HD1      PHE  26  21.210  -9.205  -7.871
  189    HD2  PHE  26           HD2      PHE  26  24.570  -6.601  -7.137
  190    HE1  PHE  26           HE1      PHE  26  19.944  -7.316  -8.806
  191    HE2  PHE  26           HE2      PHE  26  23.313  -4.716  -8.171
  192    HZ   PHE  26           HZ       PHE  26  20.982  -5.074  -8.989
  193    H    SER  27           H        SER  27  22.092 -11.719  -6.447
  194    HA   SER  27           HA       SER  27  19.421 -10.698  -6.474
  195    HB2  SER  27           HB2      SER  27  18.718 -12.850  -7.217
  196    HB3  SER  27           HB3      SER  27  20.249 -12.441  -8.016
  197    HG   SER  27           HG       SER  27  20.199 -14.619  -7.223
  198    H    ASP  28           H        ASP  28  21.124 -12.616  -4.016
  199    HA   ASP  28           HA       ASP  28  18.892 -13.268  -2.377
  200    HB2  ASP  28           HB2      ASP  28  21.862 -12.916  -1.934
  201    HB3  ASP  28           HB3      ASP  28  20.810 -13.087  -0.545
  202    H    LYS  29           H        LYS  29  20.720 -10.204  -2.574
  203    HA   LYS  29           HA       LYS  29  18.798  -9.066  -0.573
  204    HB2  LYS  29           HB2      LYS  29  20.714  -7.196  -0.504
  205    HB3  LYS  29           HB3      LYS  29  20.533  -8.501   0.620
  206    HG2  LYS  29           HG2      LYS  29  22.328  -8.761  -1.813
  207    HG3  LYS  29           HG3      LYS  29  22.866  -7.916  -0.373
  208    HD2  LYS  29           HD2      LYS  29  22.033 -10.842  -0.417
  209    HD3  LYS  29           HD3      LYS  29  23.682 -10.224  -0.428
  210    HE2  LYS  29           HE2      LYS  29  23.288  -9.105   1.769
  211    HE3  LYS  29           HE3      LYS  29  21.650  -9.765   1.809
  212    HZ1  LYS  29           HZ1      LYS  29  24.138 -11.412   1.792
  213    HZ2  LYS  29           HZ2      LYS  29  23.184 -11.149   3.087
  214    HZ3  LYS  29           HZ3      LYS  29  22.613 -12.015   1.832
  215    H    TRP  30           H        TRP  30  19.101  -9.088  -3.806
  216    HA   TRP  30           HA       TRP  30  18.671  -6.399  -4.537
  217    HB2  TRP  30           HB2      TRP  30  19.229  -8.109  -6.155
  218    HB3  TRP  30           HB3      TRP  30  17.705  -8.948  -5.853
  219    HD1  TRP  30           HD1      TRP  30  15.960  -8.474  -7.625
  220    HE1  TRP  30           HE1      TRP  30  15.331  -6.541  -9.184
  221    HE3  TRP  30           HE3      TRP  30  19.563  -5.109  -6.235
  222    HZ2  TRP  30           HZ2      TRP  30  16.199  -3.840  -9.676
  223    HZ3  TRP  30           HZ3      TRP  30  19.588  -2.836  -7.200
  224    HH2  TRP  30           HH2      TRP  30  17.954  -2.181  -8.938
  225    H    GLU  31           H        GLU  31  17.075  -5.007  -4.515
  226    HA   GLU  31           HA       GLU  31  14.314  -5.705  -4.731
  227    HB2  GLU  31           HB2      GLU  31  15.207  -5.577  -2.063
  228    HB3  GLU  31           HB3      GLU  31  14.606  -3.951  -2.345
  229    HG2  GLU  31           HG2      GLU  31  13.076  -6.551  -2.800
  230    HG3  GLU  31           HG3      GLU  31  12.903  -5.487  -1.408
  231    H    SER  32           H        SER  32  13.116  -3.832  -5.476
  232    HA   SER  32           HA       SER  32  14.364  -1.208  -5.471
  233    HB2  SER  32           HB2      SER  32  15.509  -2.508  -7.357
  234    HB3  SER  32           HB3      SER  32  13.989  -2.245  -8.243
  235    HG   SER  32           HG       SER  32  15.798  -0.348  -7.095
  236    H    ASP  33           H        ASP  33  13.104   0.444  -6.569
  237    HA   ASP  33           HA       ASP  33  10.246   0.031  -6.008
  238    HB2  ASP  33           HB2      ASP  33  11.577   2.004  -5.218
  239    HB3  ASP  33           HB3      ASP  33  11.673   2.558  -6.892
  240    H    TYR  34           H        TYR  34  12.195   0.289  -8.890
  241    HA   TYR  34           HA       TYR  34   9.919   0.774 -10.697
  242    HB2  TYR  34           HB2      TYR  34  11.466   1.067 -12.386
  243    HB3  TYR  34           HB3      TYR  34  12.264   1.761 -10.995
  244    HD1  TYR  34           HD1      TYR  34  13.876   0.122  -9.679
  245    HD2  TYR  34           HD2      TYR  34  12.697  -0.405 -13.791
  246    HE1  TYR  34           HE1      TYR  34  15.708  -1.481  -9.966
  247    HE2  TYR  34           HE2      TYR  34  14.580  -1.970 -14.121
  248    HH   TYR  34           HH       TYR  34  16.893  -2.805 -11.520
  249    H    THR  35           H        THR  35  10.484  -0.834 -12.860
  250    HA   THR  35           HA       THR  35   9.097  -3.233 -12.170
  251    HB   THR  35           HB       THR  35  10.433  -2.917 -14.833
  252    HG1  THR  35           HG1      THR  35   8.866  -1.386 -15.437
  253   HG21  THR  35          HG21      THR  35   7.555  -3.539 -13.993
  254   HG22  THR  35          HG22      THR  35   8.193  -3.593 -15.653
  255   HG23  THR  35          HG23      THR  35   8.769  -4.751 -14.452
  256    H    GLY  36           H        GLY  36  12.431  -2.711 -11.840
  257    HA2  GLY  36           HA2      GLY  36  14.102  -4.162 -11.255
  258    HA3  GLY  36           HA3      GLY  36  12.826  -5.371 -10.983
  259    H    ASN  37           H        ASN  37  13.411  -4.061 -14.181
  260    HA   ASN  37           HA       ASN  37  14.080  -6.780 -15.078
  261    HB2  ASN  37           HB2      ASN  37  13.487  -4.288 -16.690
  262    HB3  ASN  37           HB3      ASN  37  13.736  -5.905 -17.344
  263   HD21  ASN  37          HD21      ASN  37  10.518  -7.077 -16.027
  264   HD22  ASN  37          HD22      ASN  37  12.171  -7.662 -16.003
  265    H    LEU  38           H        LEU  38  16.139  -6.797 -14.013
  266    HA   LEU  38           HA       LEU  38  18.298  -5.707 -15.748
  267    HB2  LEU  38           HB2      LEU  38  19.633  -5.172 -13.948
  268    HB3  LEU  38           HB3      LEU  38  18.037  -4.558 -13.532
  269    HG   LEU  38           HG       LEU  38  19.400  -7.054 -12.408
  270   HD11  LEU  38          HD11      LEU  38  18.730  -4.326 -11.263
  271   HD12  LEU  38          HD12      LEU  38  19.218  -5.702 -10.271
  272   HD13  LEU  38          HD13      LEU  38  20.342  -5.065 -11.467
  273   HD21  LEU  38          HD21      LEU  38  16.962  -7.456 -12.389
  274   HD22  LEU  38          HD22      LEU  38  17.566  -7.146 -10.767
  275   HD23  LEU  38          HD23      LEU  38  16.707  -5.856 -11.635
  276    H    THR  39           H        THR  39  20.308  -6.802 -15.811
  277    HA   THR  39           HA       THR  39  20.451  -9.563 -14.755
  278    HB   THR  39           HB       THR  39  19.580  -9.717 -17.086
  279    HG1  THR  39           HG1      THR  39  21.363 -11.272 -17.559
  280   HG21  THR  39          HG21      THR  39  22.386  -8.863 -17.894
  281   HG22  THR  39          HG22      THR  39  21.101  -9.481 -18.953
  282   HG23  THR  39          HG23      THR  39  20.899  -7.916 -18.152
  283    H    ILE  40           H        ILE  40  22.708 -10.447 -14.997
  284    HA   ILE  40           HA       ILE  40  24.696  -8.290 -14.316
  285    HB   ILE  40           HB       ILE  40  24.235 -10.973 -12.984
  286   HG12  ILE  40          HG12      ILE  40  24.050  -8.201 -11.712
  287   HG13  ILE  40          HG13      ILE  40  22.647  -9.020 -12.386
  288   HG21  ILE  40          HG21      ILE  40  26.306  -8.883 -12.153
  289   HG22  ILE  40          HG22      ILE  40  26.085 -10.542 -11.534
  290   HG23  ILE  40          HG23      ILE  40  26.706 -10.299 -13.139
  291   HD11  ILE  40          HD11      ILE  40  24.350 -10.076 -10.112
  292   HD12  ILE  40          HD12      ILE  40  22.703  -9.428 -10.029
  293   HD13  ILE  40          HD13      ILE  40  22.992 -10.943 -10.886
  294    H    ASN  41           H        ASN  41  26.515  -8.375 -15.420
  295    HA   ASN  41           HA       ASN  41  27.241 -10.828 -16.962
  296    HB2  ASN  41           HB2      ASN  41  27.717  -7.959 -17.848
  297    HB3  ASN  41           HB3      ASN  41  27.818  -9.424 -18.810
  298   HD21  ASN  41          HD21      ASN  41  24.205  -7.517 -18.265
  299   HD22  ASN  41          HD22      ASN  41  25.597  -7.122 -17.262
  300    H    GLU  42           H        GLU  42  29.515 -11.384 -16.841
  301    HA   GLU  42           HA       GLU  42  31.265  -9.282 -15.709
  302    HB2  GLU  42           HB2      GLU  42  32.306 -10.691 -14.136
  303    HB3  GLU  42           HB3      GLU  42  30.595 -10.993 -13.968
  304    HG2  GLU  42           HG2      GLU  42  31.367 -13.129 -13.934
  305    HG3  GLU  42           HG3      GLU  42  31.090 -12.934 -15.673
  306    H    ARG  43           H        ARG  43  33.492  -9.389 -16.175
  307    HA   ARG  43           HA       ARG  43  34.215 -11.158 -18.447
  308    HB2  ARG  43           HB2      ARG  43  33.902  -8.721 -19.172
  309    HB3  ARG  43           HB3      ARG  43  35.310  -8.346 -18.193
  310    HG2  ARG  43           HG2      ARG  43  36.140  -8.628 -20.385
  311    HG3  ARG  43           HG3      ARG  43  36.604 -10.107 -19.534
  312    HD2  ARG  43           HD2      ARG  43  34.694 -11.306 -20.571
  313    HD3  ARG  43           HD3      ARG  43  34.154  -9.826 -21.348
  314    HE   ARG  43           HE       ARG  43  36.509 -11.498 -22.043
  315   HH11  ARG  43          HH11      ARG  43  34.754  -8.554 -22.830
  316   HH12  ARG  43          HH12      ARG  43  35.519  -8.419 -24.388
  317   HH21  ARG  43          HH21      ARG  43  37.437 -11.251 -24.035
  318   HH22  ARG  43          HH22      ARG  43  37.000  -9.906 -25.045
  319    HA   PRO  44           HA       PRO  44  37.175 -12.147 -15.256
  320    HB2  PRO  44           HB2      PRO  44  38.034 -14.542 -16.227
  321    HB3  PRO  44           HB3      PRO  44  36.404 -14.312 -15.538
  322    HG2  PRO  44           HG2      PRO  44  37.241 -14.332 -18.453
  323    HG3  PRO  44           HG3      PRO  44  35.860 -15.179 -17.686
  324    HD2  PRO  44           HD2      PRO  44  35.612 -12.767 -18.968
  325    HD3  PRO  44           HD3      PRO  44  34.585 -13.235 -17.585
  326    H    SER  45           H        SER  45  39.282 -11.520 -14.976
  327    HA   SER  45           HA       SER  45  41.228 -11.706 -17.184
  328    HB2  SER  45           HB2      SER  45  40.033  -9.509 -17.517
  329    HB3  SER  45           HB3      SER  45  40.678  -8.994 -15.949
  330    HG   SER  45           HG       SER  45  42.066  -9.649 -18.356
  331    H    ALA  46           H        ALA  46  42.985 -12.547 -16.340
  332    HA   ALA  46           HA       ALA  46  43.350 -12.881 -13.563
  333    HB1  ALA  46           HB1      ALA  46  45.309 -13.320 -15.864
  334    HB2  ALA  46           HB2      ALA  46  45.422 -14.046 -14.246
  335    HB3  ALA  46           HB3      ALA  46  44.072 -14.477 -15.311
  336    H    ARG  47           H        ARG  47  44.252 -10.163 -15.395
  337    HA   ARG  47           HA       ARG  47  46.432  -9.059 -13.958
  338    HB2  ARG  47           HB2      ARG  47  45.628  -6.923 -14.757
  339    HB3  ARG  47           HB3      ARG  47  45.388  -8.133 -16.015
  340    HG2  ARG  47           HG2      ARG  47  42.955  -8.338 -15.110
  341    HG3  ARG  47           HG3      ARG  47  43.278  -6.853 -14.217
  342    HD2  ARG  47           HD2      ARG  47  43.556  -7.179 -17.226
  343    HD3  ARG  47           HD3      ARG  47  42.129  -6.526 -16.418
  344    HE   ARG  47           HE       ARG  47  44.109  -4.907 -15.436
  345   HH11  ARG  47          HH11      ARG  47  43.190  -5.697 -18.727
  346   HH12  ARG  47          HH12      ARG  47  43.756  -4.173 -19.354
  347   HH21  ARG  47          HH21      ARG  47  44.821  -2.985 -16.297
  348   HH22  ARG  47          HH22      ARG  47  44.650  -2.675 -18.000
  349    H    ALA  48           H        ALA  48  43.085  -9.447 -12.903
  350    HA   ALA  48           HA       ALA  48  43.758  -8.524 -10.191
  351    HB1  ALA  48           HB1      ALA  48  41.974  -6.925 -12.070
  352    HB2  ALA  48           HB2      ALA  48  41.939  -6.730 -10.308
  353    HB3  ALA  48           HB3      ALA  48  43.422  -6.376 -11.211
  354    H    GLY  49           H        GLY  49  41.291 -10.018 -12.349
  355    HA2  GLY  49           HA2      GLY  49  40.004 -11.727 -10.735
  356    HA3  GLY  49           HA3      GLY  49  39.377 -10.209 -10.097
  357    H    SER  50           H        SER  50  37.528  -9.450 -10.978
  358    HA   SER  50           HA       SER  50  36.880 -10.070 -13.810
  359    HB2  SER  50           HB2      SER  50  34.503 -10.459 -13.111
  360    HB3  SER  50           HB3      SER  50  35.638 -11.756 -12.699
  361    HG   SER  50           HG       SER  50  34.352 -11.368 -10.933
  362    H    TRP  51           H        TRP  51  35.762  -8.558 -14.922
  363    HA   TRP  51           HA       TRP  51  34.982  -5.999 -13.605
  364    HB2  TRP  51           HB2      TRP  51  35.220  -7.000 -16.421
  365    HB3  TRP  51           HB3      TRP  51  33.870  -5.935 -16.091
  366    HD1  TRP  51           HD1      TRP  51  37.474  -5.835 -16.870
  367    HE1  TRP  51           HE1      TRP  51  38.356  -3.429 -16.768
  368    HE3  TRP  51           HE3      TRP  51  33.458  -3.611 -14.596
  369    HZ2  TRP  51           HZ2      TRP  51  37.398  -0.836 -15.887
  370    HZ3  TRP  51           HZ3      TRP  51  33.476  -1.162 -14.145
  371    HH2  TRP  51           HH2      TRP  51  35.413   0.225 -14.791
  372    H    ILE  52           H        ILE  52  32.923  -5.743 -12.846
  373    HA   ILE  52           HA       ILE  52  30.793  -7.692 -13.672
  374    HB   ILE  52           HB       ILE  52  30.903  -5.941 -11.184
  375   HG12  ILE  52          HG12      ILE  52  32.540  -7.693 -10.898
  376   HG13  ILE  52          HG13      ILE  52  31.136  -8.001  -9.889
  377   HG21  ILE  52          HG21      ILE  52  28.883  -8.039 -12.113
  378   HG22  ILE  52          HG22      ILE  52  28.948  -7.339 -10.482
  379   HG23  ILE  52          HG23      ILE  52  28.602  -6.299 -11.858
  380   HD11  ILE  52          HD11      ILE  52  31.629  -9.355 -12.565
  381   HD12  ILE  52          HD12      ILE  52  32.080 -10.044 -11.017
  382   HD13  ILE  52          HD13      ILE  52  30.362  -9.771 -11.395
  383    H    THR  53           H        THR  53  29.161  -6.928 -14.807
  384    HA   THR  53           HA       THR  53  28.665  -3.981 -14.997
  385    HB   THR  53           HB       THR  53  28.901  -5.917 -17.336
  386    HG1  THR  53           HG1      THR  53  30.747  -4.723 -17.817
  387   HG21  THR  53          HG21      THR  53  28.481  -2.896 -17.273
  388   HG22  THR  53          HG22      THR  53  28.711  -3.880 -18.728
  389   HG23  THR  53          HG23      THR  53  27.247  -4.086 -17.754
  390    H    ILE  54           H        ILE  54  26.621  -3.625 -14.411
  391    HA   ILE  54           HA       ILE  54  24.586  -5.774 -14.823
  392    HB   ILE  54           HB       ILE  54  24.766  -5.336 -12.575
  393   HG12  ILE  54          HG12      ILE  54  22.430  -5.536 -13.409
  394   HG13  ILE  54          HG13      ILE  54  22.645  -4.755 -11.854
  395   HG21  ILE  54          HG21      ILE  54  24.647  -2.375 -13.175
  396   HG22  ILE  54          HG22      ILE  54  24.418  -3.064 -11.548
  397   HG23  ILE  54          HG23      ILE  54  25.950  -3.303 -12.396
  398   HD11  ILE  54          HD11      ILE  54  21.905  -3.359 -14.460
  399   HD12  ILE  54          HD12      ILE  54  20.932  -3.555 -13.020
  400   HD13  ILE  54          HD13      ILE  54  22.349  -2.515 -12.963
  401    H    THR  55           H        THR  55  23.024  -5.574 -16.190
  402    HA   THR  55           HA       THR  55  22.649  -2.974 -17.598
  403    HB   THR  55           HB       THR  55  22.043  -4.392 -19.602
  404    HG1  THR  55           HG1      THR  55  22.497  -6.501 -19.576
  405   HG21  THR  55          HG21      THR  55  24.893  -4.612 -18.512
  406   HG22  THR  55          HG22      THR  55  24.411  -5.018 -20.171
  407   HG23  THR  55          HG23      THR  55  24.247  -3.361 -19.597
  408    H    VAL  56           H        VAL  56  20.609  -2.254 -17.938
  409    HA   VAL  56           HA       VAL  56  18.327  -3.848 -16.836
  410    HB   VAL  56           HB       VAL  56  18.800  -0.884 -17.041
  411   HG11  VAL  56          HG11      VAL  56  16.057  -2.213 -16.812
  412   HG12  VAL  56          HG12      VAL  56  16.408  -0.516 -16.423
  413   HG13  VAL  56          HG13      VAL  56  16.597  -1.082 -18.082
  414   HG21  VAL  56          HG21      VAL  56  19.281  -2.305 -14.980
  415   HG22  VAL  56          HG22      VAL  56  18.106  -0.999 -14.714
  416   HG23  VAL  56          HG23      VAL  56  17.549  -2.668 -14.897
  417    H    ASN  57           H        ASN  57  17.203  -4.863 -18.212
  418    HA   ASN  57           HA       ASN  57  16.614  -5.923 -20.108
  419    HB2  ASN  57           HB2      ASN  57  16.133  -3.097 -21.141
  420    HB3  ASN  57           HB3      ASN  57  15.566  -4.574 -21.900
  421   HD21  ASN  57          HD21      ASN  57  13.443  -3.064 -18.853
  422   HD22  ASN  57          HD22      ASN  57  14.823  -2.217 -19.547
  423    H    GLN  58           H        GLN  58  18.257  -3.183 -21.652
  424    HA   GLN  58           HA       GLN  58  20.353  -4.957 -22.781
  425    HB2  GLN  58           HB2      GLN  58  19.953  -4.094 -25.055
  426    HB3  GLN  58           HB3      GLN  58  18.598  -5.025 -24.427
  427    HG2  GLN  58           HG2      GLN  58  17.297  -3.012 -24.005
  428    HG3  GLN  58           HG3      GLN  58  18.675  -1.978 -24.377
  429   HE21  GLN  58          HE21      GLN  58  16.591  -3.739 -27.479
  430   HE22  GLN  58          HE22      GLN  58  16.443  -4.412 -25.861
  431    H    ASP  59           H        ASP  59  19.898  -2.351 -20.946
  432    HA   ASP  59           HA       ASP  59  22.027  -0.650 -22.218
  433    HB2  ASP  59           HB2      ASP  59  19.616   0.063 -20.508
  434    HB3  ASP  59           HB3      ASP  59  20.929   1.179 -20.857
  435    H    VAL  60           H        VAL  60  23.891  -0.340 -21.084
  436    HA   VAL  60           HA       VAL  60  24.160  -1.480 -18.399
  437    HB   VAL  60           HB       VAL  60  26.039  -1.636 -19.905
  438   HG11  VAL  60          HG11      VAL  60  26.304   1.396 -19.776
  439   HG12  VAL  60          HG12      VAL  60  27.441   0.263 -20.527
  440   HG13  VAL  60          HG13      VAL  60  25.822   0.457 -21.207
  441   HG21  VAL  60          HG21      VAL  60  26.439  -1.531 -17.446
  442   HG22  VAL  60          HG22      VAL  60  27.806  -0.940 -18.414
  443   HG23  VAL  60          HG23      VAL  60  26.754   0.217 -17.595
  444    H    ILE  61           H        ILE  61  24.175  -0.542 -16.478
  445    HA   ILE  61           HA       ILE  61  23.850   2.438 -16.320
  446    HB   ILE  61           HB       ILE  61  22.352   1.959 -14.340
  447   HG12  ILE  61          HG12      ILE  61  21.681  -0.657 -15.687
  448   HG13  ILE  61          HG13      ILE  61  22.824  -0.569 -14.336
  449   HG21  ILE  61          HG21      ILE  61  21.256   1.310 -17.097
  450   HG22  ILE  61          HG22      ILE  61  20.359   2.015 -15.727
  451   HG23  ILE  61          HG23      ILE  61  21.642   2.942 -16.503
  452   HD11  ILE  61          HD11      ILE  61  19.959   0.463 -14.210
  453   HD12  ILE  61          HD12      ILE  61  20.521  -1.081 -13.585
  454   HD13  ILE  61          HD13      ILE  61  21.146   0.424 -12.890
  455    H    PHE  62           H        PHE  62  25.283  -0.448 -14.861
  456    HA   PHE  62           HA       PHE  62  27.094   1.332 -13.436
  457    HB2  PHE  62           HB2      PHE  62  25.447   1.214 -11.734
  458    HB3  PHE  62           HB3      PHE  62  25.184  -0.501 -11.950
  459    HD1  PHE  62           HD1      PHE  62  27.786   2.026 -10.957
  460    HD2  PHE  62           HD2      PHE  62  26.432  -2.050 -10.538
  461    HE1  PHE  62           HE1      PHE  62  29.599   1.582  -9.323
  462    HE2  PHE  62           HE2      PHE  62  28.283  -2.494  -8.928
  463    HZ   PHE  62           HZ       PHE  62  29.843  -0.673  -8.313
  464    H    GLN  63           H        GLN  63  29.040   0.405 -12.933
  465    HA   GLN  63           HA       GLN  63  29.487  -2.416 -13.217
  466    HB2  GLN  63           HB2      GLN  63  31.128  -2.321 -15.059
  467    HB3  GLN  63           HB3      GLN  63  29.495  -1.911 -15.572
  468    HG2  GLN  63           HG2      GLN  63  30.100   0.514 -15.524
  469    HG3  GLN  63           HG3      GLN  63  31.763   0.067 -15.123
  470   HE21  GLN  63          HE21      GLN  63  32.290  -1.423 -18.455
  471   HE22  GLN  63          HE22      GLN  63  32.558  -1.871 -16.782
  472    H    THR  64           H        THR  64  31.465  -3.130 -12.400
  473    HA   THR  64           HA       THR  64  33.445  -1.240 -11.322
  474    HB   THR  64           HB       THR  64  31.607  -1.125  -9.688
  475    HG1  THR  64           HG1      THR  64  32.950  -1.403  -7.936
  476   HG21  THR  64          HG21      THR  64  32.188  -4.058  -9.064
  477   HG22  THR  64          HG22      THR  64  31.028  -2.984  -8.251
  478   HG23  THR  64          HG23      THR  64  30.737  -3.485  -9.918
  479    H    PHE  65           H        PHE  65  35.165  -2.457 -10.050
  480    HA   PHE  65           HA       PHE  65  35.689  -5.063 -11.405
  481    HB2  PHE  65           HB2      PHE  65  37.247  -2.864 -11.458
  482    HB3  PHE  65           HB3      PHE  65  37.885  -3.611 -10.003
  483    HD1  PHE  65           HD1      PHE  65  38.427  -6.226 -10.242
  484    HD2  PHE  65           HD2      PHE  65  38.109  -3.473 -13.539
  485    HE1  PHE  65           HE1      PHE  65  39.579  -7.842 -11.703
  486    HE2  PHE  65           HE2      PHE  65  39.360  -5.064 -14.979
  487    HZ   PHE  65           HZ       PHE  65  40.042  -7.270 -14.095
  488    H    LEU  66           H        LEU  66  35.724  -6.895 -10.263
  489    HA   LEU  66           HA       LEU  66  35.677  -6.825  -7.283
  490    HB2  LEU  66           HB2      LEU  66  34.733  -8.798  -9.344
  491    HB3  LEU  66           HB3      LEU  66  35.150  -9.345  -7.729
  492    HG   LEU  66           HG       LEU  66  32.968  -7.349  -8.351
  493   HD11  LEU  66          HD11      LEU  66  32.856 -10.203  -7.245
  494   HD12  LEU  66          HD12      LEU  66  31.518  -9.185  -7.814
  495   HD13  LEU  66          HD13      LEU  66  32.693  -9.835  -8.958
  496   HD21  LEU  66          HD21      LEU  66  33.856  -6.889  -6.096
  497   HD22  LEU  66          HD22      LEU  66  32.327  -7.775  -5.952
  498   HD23  LEU  66          HD23      LEU  66  33.869  -8.621  -5.717
  499    H    PHE  67           H        PHE  67  37.136  -7.879  -6.071
  500    HA   PHE  67           HA       PHE  67  39.502  -9.137  -7.411
  501    HB2  PHE  67           HB2      PHE  67  39.407  -7.532  -4.838
  502    HB3  PHE  67           HB3      PHE  67  40.829  -8.314  -5.509
  503    HD1  PHE  67           HD1      PHE  67  38.384  -5.540  -5.986
  504    HD2  PHE  67           HD2      PHE  67  42.110  -7.281  -7.291
  505    HE1  PHE  67           HE1      PHE  67  38.894  -3.483  -7.273
  506    HE2  PHE  67           HE2      PHE  67  42.641  -5.195  -8.532
  507    HZ   PHE  67           HZ       PHE  67  41.026  -3.305  -8.546
  508    HA   PRO  68           HA       PRO  68  38.236 -12.665  -4.941
  509    HB2  PRO  68           HB2      PRO  68  40.111 -14.472  -5.695
  510    HB3  PRO  68           HB3      PRO  68  38.893 -13.837  -6.846
  511    HG2  PRO  68           HG2      PRO  68  41.739 -12.821  -6.421
  512    HG3  PRO  68           HG3      PRO  68  40.965 -13.303  -7.974
  513    HD2  PRO  68           HD2      PRO  68  41.069 -10.735  -7.179
  514    HD3  PRO  68           HD3      PRO  68  39.621 -11.401  -8.003
  515    H    LEU  69           H        LEU  69  41.552 -11.387  -4.687
  516    HA   LEU  69           HA       LEU  69  42.254 -12.894  -2.304
  517    HB2  LEU  69           HB2      LEU  69  43.838 -12.267  -4.020
  518    HB3  LEU  69           HB3      LEU  69  43.558 -10.552  -3.766
  519    HG   LEU  69           HG       LEU  69  44.542 -12.229  -1.440
  520   HD11  LEU  69          HD11      LEU  69  46.291 -11.170  -3.701
  521   HD12  LEU  69          HD12      LEU  69  46.873 -11.856  -2.166
  522   HD13  LEU  69          HD13      LEU  69  45.997 -12.879  -3.312
  523   HD21  LEU  69          HD21      LEU  69  44.056  -9.794  -1.062
  524   HD22  LEU  69          HD22      LEU  69  45.772 -10.150  -0.889
  525   HD23  LEU  69          HD23      LEU  69  45.174  -9.379  -2.373
  526    H    LYS  70           H        LYS  70  40.911  -9.720  -2.931
  527    HA   LYS  70           HA       LYS  70  41.207  -8.817  -0.112
  528    HB2  LYS  70           HB2      LYS  70  40.125  -7.383  -2.574
  529    HB3  LYS  70           HB3      LYS  70  40.272  -6.672  -0.963
  530    HG2  LYS  70           HG2      LYS  70  42.730  -7.090  -1.005
  531    HG3  LYS  70           HG3      LYS  70  42.586  -7.717  -2.657
  532    HD2  LYS  70           HD2      LYS  70  41.705  -5.531  -3.424
  533    HD3  LYS  70           HD3      LYS  70  41.822  -4.900  -1.765
  534    HE2  LYS  70           HE2      LYS  70  44.279  -5.349  -1.784
  535    HE3  LYS  70           HE3      LYS  70  44.157  -5.931  -3.448
  536    HZ1  LYS  70           HZ1      LYS  70  43.511  -3.160  -2.556
  537    HZ2  LYS  70           HZ2      LYS  70  44.854  -3.599  -3.372
  538    HZ3  LYS  70           HZ3      LYS  70  43.395  -3.694  -4.100
  539    H    ARG  71           H        ARG  71  39.418  -7.937   1.075
  540    HA   ARG  71           HA       ARG  71  37.029  -9.693   0.839
  541    HB2  ARG  71           HB2      ARG  71  38.692  -9.510   2.901
  542    HB3  ARG  71           HB3      ARG  71  37.654  -8.156   3.347
  543    HG2  ARG  71           HG2      ARG  71  35.669  -9.815   3.011
  544    HG3  ARG  71           HG3      ARG  71  36.886 -11.084   2.911
  545    HD2  ARG  71           HD2      ARG  71  36.451  -9.201   5.266
  546    HD3  ARG  71           HD3      ARG  71  35.865 -10.866   5.154
  547    HE   ARG  71           HE       ARG  71  38.668 -10.952   4.748
  548   HH11  ARG  71          HH11      ARG  71  36.467 -10.239   7.391
  549   HH12  ARG  71          HH12      ARG  71  37.638 -10.680   8.603
  550   HH21  ARG  71          HH21      ARG  71  40.122 -11.481   6.356
  551   HH22  ARG  71          HH22      ARG  71  39.648 -11.371   8.026
  552    H    ASP  72           H        ASP  72  37.331  -7.064  -0.653
  553    HA   ASP  72           HA       ASP  72  35.197  -5.391   0.418
  554    HB2  ASP  72           HB2      ASP  72  35.388  -4.069  -1.513
  555    HB3  ASP  72           HB3      ASP  72  37.006  -4.490  -1.012
  556    H    PHE  73           H        PHE  73  35.173  -8.297  -1.490
  557    HA   PHE  73           HA       PHE  73  33.203  -8.006  -3.319
  558    HB2  PHE  73           HB2      PHE  73  34.400 -10.032  -3.143
  559    HB3  PHE  73           HB3      PHE  73  33.849 -10.354  -1.507
  560    HD1  PHE  73           HD1      PHE  73  33.128 -10.789  -5.039
  561    HD2  PHE  73           HD2      PHE  73  31.459 -11.055  -1.069
  562    HE1  PHE  73           HE1      PHE  73  31.228 -12.118  -5.927
  563    HE2  PHE  73           HE2      PHE  73  29.547 -12.349  -1.958
  564    HZ   PHE  73           HZ       PHE  73  29.414 -12.863  -4.370
  565    H    GLU  74           H        GLU  74  32.416  -8.767   0.120
  566    HA   GLU  74           HA       GLU  74  29.587  -8.827  -0.259
  567    HB2  GLU  74           HB2      GLU  74  31.058  -9.580   1.738
  568    HB3  GLU  74           HB3      GLU  74  30.949  -7.902   2.284
  569    HG2  GLU  74           HG2      GLU  74  28.448  -8.097   2.253
  570    HG3  GLU  74           HG3      GLU  74  28.607  -9.774   1.714
  571    H    LYS  75           H        LYS  75  31.761  -6.158   0.514
  572    HA   LYS  75           HA       LYS  75  29.705  -4.150   0.965
  573    HB2  LYS  75           HB2      LYS  75  32.698  -3.773   0.336
  574    HB3  LYS  75           HB3      LYS  75  31.559  -2.544   0.886
  575    HG2  LYS  75           HG2      LYS  75  32.321  -3.069   2.952
  576    HG3  LYS  75           HG3      LYS  75  31.125  -4.356   2.849
  577    HD2  LYS  75           HD2      LYS  75  33.179  -5.717   1.762
  578    HD3  LYS  75           HD3      LYS  75  34.136  -4.461   2.565
  579    HE2  LYS  75           HE2      LYS  75  32.827  -5.043   4.707
  580    HE3  LYS  75           HE3      LYS  75  32.149  -6.417   3.816
  581    HZ1  LYS  75           HZ1      LYS  75  35.033  -5.953   4.426
  582    HZ2  LYS  75           HZ2      LYS  75  34.096  -7.144   5.032
  583    HZ3  LYS  75           HZ3      LYS  75  34.520  -7.154   3.436
  584    H    THR  76           H        THR  76  31.817  -4.963  -1.781
  585    HA   THR  76           HA       THR  76  30.755  -3.112  -3.661
  586    HB   THR  76           HB       THR  76  32.150  -5.791  -4.016
  587    HG1  THR  76           HG1      THR  76  33.897  -4.579  -3.949
  588   HG21  THR  76          HG21      THR  76  31.419  -3.652  -6.066
  589   HG22  THR  76          HG22      THR  76  32.707  -4.863  -6.319
  590   HG23  THR  76          HG23      THR  76  31.026  -5.382  -6.125
  591    H    VAL  77           H        VAL  77  29.624  -6.447  -2.875
  592    HA   VAL  77           HA       VAL  77  27.496  -6.502  -4.823
  593    HB   VAL  77           HB       VAL  77  27.877  -7.935  -2.176
  594   HG11  VAL  77          HG11      VAL  77  25.592  -8.247  -4.165
  595   HG12  VAL  77          HG12      VAL  77  25.969  -9.391  -2.859
  596   HG13  VAL  77          HG13      VAL  77  25.443  -7.768  -2.456
  597   HG21  VAL  77          HG21      VAL  77  29.276  -8.577  -4.219
  598   HG22  VAL  77          HG22      VAL  77  28.287  -9.868  -3.536
  599   HG23  VAL  77          HG23      VAL  77  27.754  -9.034  -5.012
  600    H    VAL  78           H        VAL  78  27.412  -5.541  -1.326
  601    HA   VAL  78           HA       VAL  78  24.651  -4.781  -1.382
  602    HB   VAL  78           HB       VAL  78  26.929  -3.950   0.452
  603   HG11  VAL  78          HG11      VAL  78  23.934  -3.446   0.785
  604   HG12  VAL  78          HG12      VAL  78  25.151  -3.265   2.068
  605   HG13  VAL  78          HG13      VAL  78  25.209  -2.210   0.658
  606   HG21  VAL  78          HG21      VAL  78  26.254  -6.369   0.476
  607   HG22  VAL  78          HG22      VAL  78  25.895  -5.548   1.997
  608   HG23  VAL  78          HG23      VAL  78  24.588  -5.878   0.835
  609    H    ALA  79           H        ALA  79  27.597  -2.898  -2.052
  610    HA   ALA  79           HA       ALA  79  26.254  -0.360  -2.318
  611    HB1  ALA  79           HB1      ALA  79  28.922  -1.379  -3.384
  612    HB2  ALA  79           HB2      ALA  79  28.437   0.333  -3.220
  613    HB3  ALA  79           HB3      ALA  79  28.644  -0.677  -1.774
  614    H    ALA  80           H        ALA  80  26.934  -3.011  -4.671
  615    HA   ALA  80           HA       ALA  80  26.196  -1.502  -7.003
  616    HB1  ALA  80           HB1      ALA  80  26.001  -4.503  -6.466
  617    HB2  ALA  80           HB2      ALA  80  26.013  -3.703  -8.053
  618    HB3  ALA  80           HB3      ALA  80  27.460  -3.651  -7.023
  619    H    LEU  81           H        LEU  81  24.239  -3.036  -4.491
  620    HA   LEU  81           HA       LEU  81  21.752  -3.202  -5.956
  621    HB2  LEU  81           HB2      LEU  81  22.019  -2.616  -2.983
  622    HB3  LEU  81           HB3      LEU  81  20.674  -3.373  -3.809
  623    HG   LEU  81           HG       LEU  81  23.417  -4.619  -3.470
  624   HD11  LEU  81          HD11      LEU  81  20.861  -5.142  -1.935
  625   HD12  LEU  81          HD12      LEU  81  22.415  -5.996  -1.748
  626   HD13  LEU  81          HD13      LEU  81  22.288  -4.283  -1.317
  627   HD21  LEU  81          HD21      LEU  81  22.157  -5.559  -5.391
  628   HD22  LEU  81          HD22      LEU  81  22.357  -6.732  -4.080
  629   HD23  LEU  81          HD23      LEU  81  20.802  -5.920  -4.292
  630    H    ILE  82           H        ILE  82  23.118  -0.702  -3.815
  631    HA   ILE  82           HA       ILE  82  21.036   1.253  -4.209
  632    HB   ILE  82           HB       ILE  82  23.911   1.608  -3.259
  633   HG12  ILE  82          HG12      ILE  82  21.349   1.252  -1.628
  634   HG13  ILE  82          HG13      ILE  82  22.546  -0.014  -1.889
  635   HG21  ILE  82          HG21      ILE  82  21.483   3.443  -2.946
  636   HG22  ILE  82          HG22      ILE  82  23.088   3.719  -2.235
  637   HG23  ILE  82          HG23      ILE  82  22.898   3.760  -3.975
  638   HD11  ILE  82          HD11      ILE  82  22.984   2.547  -0.325
  639   HD12  ILE  82          HD12      ILE  82  22.936   0.886   0.274
  640   HD13  ILE  82          HD13      ILE  82  24.278   1.401  -0.765
  641    H    GLN  83           H        GLN  83  24.300   0.876  -5.690
  642    HA   GLN  83           HA       GLN  83  24.068   3.223  -7.315
  643    HB2  GLN  83           HB2      GLN  83  25.834   0.752  -7.537
  644    HB3  GLN  83           HB3      GLN  83  26.015   2.175  -8.572
  645    HG2  GLN  83           HG2      GLN  83  26.453   3.618  -6.702
  646    HG3  GLN  83           HG3      GLN  83  26.094   2.364  -5.526
  647   HE21  GLN  83          HE21      GLN  83  29.204   0.610  -6.020
  648   HE22  GLN  83          HE22      GLN  83  27.483   0.329  -5.696
  649    H    THR  84           H        THR  84  22.907  -0.059  -7.873
  650    HA   THR  84           HA       THR  84  22.277   0.218 -10.677
  651    HB   THR  84           HB       THR  84  20.989  -1.473  -8.502
  652    HG1  THR  84           HG1      THR  84  23.065  -2.099  -8.894
  653   HG21  THR  84          HG21      THR  84  20.757  -1.710 -11.509
  654   HG22  THR  84          HG22      THR  84  20.166  -2.868 -10.307
  655   HG23  THR  84          HG23      THR  84  19.431  -1.258 -10.424
  656    H    GLU  85           H        GLU  85  20.315   0.967  -7.674
  657    HA   GLU  85           HA       GLU  85  18.161   1.959  -9.401
  658    HB2  GLU  85           HB2      GLU  85  16.988   2.576  -7.468
  659    HB3  GLU  85           HB3      GLU  85  17.609   0.946  -7.251
  660    HG2  GLU  85           HG2      GLU  85  19.185   1.623  -5.633
  661    HG3  GLU  85           HG3      GLU  85  19.083   3.329  -6.078
  662    H    GLU  86           H        GLU  86  20.919   3.489  -7.716
  663    HA   GLU  86           HA       GLU  86  20.077   6.169  -7.977
  664    HB2  GLU  86           HB2      GLU  86  22.813   4.899  -7.937
  665    HB3  GLU  86           HB3      GLU  86  22.605   6.647  -8.018
  666    HG2  GLU  86           HG2      GLU  86  21.139   5.078  -5.896
  667    HG3  GLU  86           HG3      GLU  86  22.846   5.461  -5.687
  668    H    ALA  87           H        ALA  87  21.448   4.082 -10.495
  669    HA   ALA  87           HA       ALA  87  21.790   6.118 -12.505
  670    HB1  ALA  87           HB1      ALA  87  21.048   3.160 -12.795
  671    HB2  ALA  87           HB2      ALA  87  21.705   4.212 -14.058
  672    HB3  ALA  87           HB3      ALA  87  22.705   3.800 -12.649
  673    H    LEU  88           H        LEU  88  18.982   4.153 -11.484
  674    HA   LEU  88           HA       LEU  88  17.290   5.116 -13.687
  675    HB2  LEU  88           HB2      LEU  88  16.608   3.356 -11.321
  676    HB3  LEU  88           HB3      LEU  88  15.651   3.552 -12.786
  677    HG   LEU  88           HG       LEU  88  18.364   2.174 -12.517
  678   HD11  LEU  88          HD11      LEU  88  15.617   1.129 -13.268
  679   HD12  LEU  88          HD12      LEU  88  17.109   0.181 -13.060
  680   HD13  LEU  88          HD13      LEU  88  16.373   0.976 -11.662
  681   HD21  LEU  88          HD21      LEU  88  18.356   3.200 -14.686
  682   HD22  LEU  88          HD22      LEU  88  17.952   1.495 -14.912
  683   HD23  LEU  88          HD23      LEU  88  16.657   2.706 -14.980
  684    H    ASN  89           H        ASN  89  17.853   5.889 -10.361
  685    HA   ASN  89           HA       ASN  89  15.490   7.225  -9.682
  686    HB2  ASN  89           HB2      ASN  89  18.307   7.132  -8.709
  687    HB3  ASN  89           HB3      ASN  89  17.437   8.536  -8.208
  688   HD21  ASN  89          HD21      ASN  89  16.725   5.125  -6.311
  689   HD22  ASN  89          HD22      ASN  89  17.822   5.240  -7.690
  690    H    ARG  90           H        ARG  90  18.141   8.459 -11.659
  691    HA   ARG  90           HA       ARG  90  16.723  11.085 -11.924
  692    HB2  ARG  90           HB2      ARG  90  19.174  10.870 -11.340
  693    HB3  ARG  90           HB3      ARG  90  19.463  10.319 -12.995
  694    HG2  ARG  90           HG2      ARG  90  18.672  12.474 -13.876
  695    HG3  ARG  90           HG3      ARG  90  18.132  12.971 -12.259
  696    HD2  ARG  90           HD2      ARG  90  20.478  12.886 -11.463
  697    HD3  ARG  90           HD3      ARG  90  21.010  12.439 -13.101
  698    HE   ARG  90           HE       ARG  90  19.512  14.793 -13.395
  699   HH11  ARG  90          HH11      ARG  90  22.490  13.960 -11.739
  700   HH12  ARG  90          HH12      ARG  90  23.109  15.586 -11.840
  701   HH21  ARG  90          HH21      ARG  90  20.359  16.844 -13.489
  702   HH22  ARG  90          HH22      ARG  90  21.928  17.174 -12.816
  703    H    ARG  91           H        ARG  91  16.648   8.156 -13.473
  704    HA   ARG  91           HA       ARG  91  16.139   9.189 -16.240
  705    HB2  ARG  91           HB2      ARG  91  16.098   6.387 -15.053
  706    HB3  ARG  91           HB3      ARG  91  15.691   6.752 -16.728
  707    HG2  ARG  91           HG2      ARG  91  17.918   7.489 -17.224
  708    HG3  ARG  91           HG3      ARG  91  18.396   7.433 -15.531
  709    HD2  ARG  91           HD2      ARG  91  18.966   5.244 -15.720
  710    HD3  ARG  91           HD3      ARG  91  17.340   4.822 -16.155
  711    HE   ARG  91           HE       ARG  91  19.631   5.445 -17.975
  712   HH11  ARG  91          HH11      ARG  91  16.272   4.365 -17.887
  713   HH12  ARG  91          HH12      ARG  91  16.325   3.856 -19.546
  714   HH21  ARG  91          HH21      ARG  91  19.594   4.773 -20.066
  715   HH22  ARG  91          HH22      ARG  91  18.152   4.080 -20.743
  716    H    GLN  92           H        GLN  92  14.417   7.338 -13.754
  717    HA   GLN  92           HA       GLN  92  11.778   8.206 -14.890
  718    HB2  GLN  92           HB2      GLN  92  11.041   5.840 -14.786
  719    HB3  GLN  92           HB3      GLN  92  12.229   6.201 -16.036
  720    HG2  GLN  92           HG2      GLN  92  14.001   5.090 -14.814
  721    HG3  GLN  92           HG3      GLN  92  12.990   4.900 -13.381
  722   HE21  GLN  92          HE21      GLN  92  11.091   2.167 -14.779
  723   HE22  GLN  92          HE22      GLN  92  10.993   3.475 -13.608
  724    H    ILE  93           H        ILE  93  13.377   6.699 -12.050
  725    HA   ILE  93           HA       ILE  93  10.898   6.571 -10.578
  726    HB   ILE  93           HB       ILE  93  13.570   6.663  -9.179
  727   HG12  ILE  93          HG12      ILE  93  12.386   4.261 -10.650
  728   HG13  ILE  93          HG13      ILE  93  13.894   5.078 -11.057
  729   HG21  ILE  93          HG21      ILE  93  11.006   5.113  -8.655
  730   HG22  ILE  93          HG22      ILE  93  12.434   5.179  -7.598
  731   HG23  ILE  93          HG23      ILE  93  11.474   6.623  -7.835
  732   HD11  ILE  93          HD11      ILE  93  13.407   3.401  -8.585
  733   HD12  ILE  93          HD12      ILE  93  14.466   3.060  -9.954
  734   HD13  ILE  93          HD13      ILE  93  14.859   4.400  -8.860
  735    H    ASN  94           H        ASN  94  13.027   9.197 -11.230
  736    HA   ASN  94           HA       ASN  94  12.458  10.975  -9.136
  737    HB2  ASN  94           HB2      ASN  94  13.880  11.061 -11.573
  738    HB3  ASN  94           HB3      ASN  94  12.602  12.221 -11.847
  739   HD21  ASN  94          HD21      ASN  94  15.564  12.982  -9.119
  740   HD22  ASN  94          HD22      ASN  94  15.328  11.359  -9.784
  741    H    GLN  95           H        GLN  95  10.457  10.186 -11.979
  742    HA   GLN  95           HA       GLN  95   8.411  12.173 -11.345
  743    HB2  GLN  95           HB2      GLN  95   8.359   9.753 -13.195
  744    HB3  GLN  95           HB3      GLN  95   7.065  10.946 -13.029
  745    HG2  GLN  95           HG2      GLN  95   8.681  12.748 -13.720
  746    HG3  GLN  95           HG3      GLN  95   9.893  11.505 -14.026
  747   HE21  GLN  95          HE21      GLN  95   8.316  10.371 -17.054
  748   HE22  GLN  95          HE22      GLN  95   9.432   9.922 -15.770
  749    H    ALA  96           H        ALA  96   8.814   8.651 -10.828
  750    HA   ALA  96           HA       ALA  96   6.243   8.195  -9.702
  751    HB1  ALA  96           HB1      ALA  96   8.835   6.641  -9.296
  752    HB2  ALA  96           HB2      ALA  96   7.189   6.037  -9.028
  753    HB3  ALA  96           HB3      ALA  96   7.714   6.452 -10.670
  754    H    LEU  97           H        LEU  97   9.334   9.046  -8.078
  755    HA   LEU  97           HA       LEU  97   8.230   8.824  -5.417
  756    HB2  LEU  97           HB2      LEU  97  10.269   9.739  -4.641
  757    HB3  LEU  97           HB3      LEU  97  10.560   8.567  -5.918
  758    HG   LEU  97           HG       LEU  97  10.781  10.668  -7.467
  759   HD11  LEU  97          HD11      LEU  97  11.438  11.899  -4.750
  760   HD12  LEU  97          HD12      LEU  97  11.803  12.620  -6.332
  761   HD13  LEU  97          HD13      LEU  97  10.131  12.427  -5.824
  762   HD21  LEU  97          HD21      LEU  97  12.614   9.121  -6.939
  763   HD22  LEU  97          HD22      LEU  97  13.208  10.788  -6.905
  764   HD23  LEU  97          HD23      LEU  97  12.880   9.934  -5.383
  765    H    LEU  98           H        LEU  98   8.155  11.342  -7.752
  766    HA   LEU  98           HA       LEU  98   7.282  13.437  -5.883
  767    HB2  LEU  98           HB2      LEU  98   8.807  13.917  -7.758
  768    HB3  LEU  98           HB3      LEU  98   7.582  13.383  -8.910
  769    HG   LEU  98           HG       LEU  98   6.101  15.256  -8.211
  770   HD11  LEU  98          HD11      LEU  98   8.491  16.107  -6.511
  771   HD12  LEU  98          HD12      LEU  98   7.078  17.121  -6.876
  772   HD13  LEU  98          HD13      LEU  98   6.878  15.659  -5.911
  773   HD21  LEU  98          HD21      LEU  98   7.645  15.501 -10.117
  774   HD22  LEU  98          HD22      LEU  98   7.423  17.039  -9.270
  775   HD23  LEU  98          HD23      LEU  98   8.914  16.099  -9.025
  776    H    SER  99           H        SER  99   5.741  11.432  -8.445
  777    HA   SER  99           HA       SER  99   3.241  12.823  -8.362
  778    HB2  SER  99           HB2      SER  99   2.453  11.117  -9.874
  779    HB3  SER  99           HB3      SER  99   4.090  11.614 -10.332
  780    HG   SER  99           HG       SER  99   3.755   9.295 -10.323
  781    H    THR 100           H        THR 100   4.449  10.641  -6.110
  782    HA   THR 100           HA       THR 100   2.263   9.018  -5.419
  783    HB   THR 100           HB       THR 100   4.643   8.833  -4.669
  784    HG1  THR 100           HG1      THR 100   4.078   7.868  -2.733
  785   HG21  THR 100          HG21      THR 100   3.850  10.764  -2.445
  786   HG22  THR 100          HG22      THR 100   5.398   9.919  -2.647
  787   HG23  THR 100          HG23      THR 100   4.928  11.177  -3.796
  788    H    GLY 101           H        GLY 101   2.551  12.425  -4.836
  789    HA2  GLY 101           HA2      GLY 101   0.721  12.670  -2.614
  790    HA3  GLY 101           HA3      GLY 101   1.313  13.963  -3.654
  791    H    ASP 102           H        ASP 102  -0.660  11.045  -4.336
  792    HA   ASP 102           HA       ASP 102  -2.517  12.380  -6.104
  793    HB2  ASP 102           HB2      ASP 102  -2.628   9.689  -4.685
  794    HB3  ASP 102           HB3      ASP 102  -3.813  10.233  -5.865
  795    H    LEU 103           H        LEU 103  -4.857  12.379  -5.835
  796    HA   LEU 103           HA       LEU 103  -5.837  13.563  -3.405
  797    HB2  LEU 103           HB2      LEU 103  -7.833  13.819  -4.489
  798    HB3  LEU 103           HB3      LEU 103  -6.693  13.857  -5.821
  799    HG   LEU 103           HG       LEU 103  -8.448  11.480  -5.020
  800   HD11  LEU 103          HD11      LEU 103  -8.639  13.395  -7.375
  801   HD12  LEU 103          HD12      LEU 103  -9.692  11.996  -7.064
  802   HD13  LEU 103          HD13      LEU 103  -9.709  13.377  -5.956
  803   HD21  LEU 103          HD21      LEU 103  -6.413  10.661  -6.123
  804   HD22  LEU 103          HD22      LEU 103  -7.795  10.515  -7.206
  805   HD23  LEU 103          HD23      LEU 103  -6.632  11.838  -7.445
  806    H    ALA 104           H        ALA 104  -7.626  12.740  -2.116
  807    HA   ALA 104           HA       ALA 104  -7.981   9.805  -1.983
  808    HB1  ALA 104           HB1      ALA 104  -7.109  11.491   0.405
  809    HB2  ALA 104           HB2      ALA 104  -7.485   9.752   0.426
  810    HB3  ALA 104           HB3      ALA 104  -6.083  10.341  -0.482
  811    H    HIS 105           H        HIS 105  -9.678  12.048  -2.846
  812    HA   HIS 105           HA       HIS 105 -11.366  12.922  -0.726
  813    HB2  HIS 105           HB2      HIS 105 -11.847  13.079  -3.722
  814    HB3  HIS 105           HB3      HIS 105 -12.620  14.057  -2.481
  815    HD2  HIS 105           HD2      HIS 105 -11.216  15.584  -4.740
  816    HE1  HIS 105           HE1      HIS 105  -7.935  16.257  -2.098
  817    HE2  HIS 105           HE2      HIS 105  -9.071  17.033  -4.241
  818    H    ASP 106           H        ASP 106 -12.009  10.576  -3.335
  819    HA   ASP 106           HA       ASP 106 -14.170   9.327  -1.709
  820    HB2  ASP 106           HB2      ASP 106 -14.364  10.139  -4.640
  821    HB3  ASP 106           HB3      ASP 106 -15.513   9.080  -3.828
  822    H    GLU 107           H        GLU 107 -11.336   8.640  -2.253
  823    HA   GLU 107           HA       GLU 107 -11.284   6.593  -4.328
  824    HB2  GLU 107           HB2      GLU 107  -9.217   7.467  -2.279
  825    HB3  GLU 107           HB3      GLU 107  -8.922   6.327  -3.585
  826    HG2  GLU 107           HG2      GLU 107  -9.664   9.269  -3.877
  827    HG3  GLU 107           HG3      GLU 107  -8.091   8.547  -4.168
  828    H    PHE 108           H        PHE 108 -11.597   6.496  -0.843
  829    HA   PHE 108           HA       PHE 108 -11.873   3.539  -0.850
  830    HB2  PHE 108           HB2      PHE 108 -10.069   5.112   1.026
  831    HB3  PHE 108           HB3      PHE 108 -10.488   3.419   1.203
  832    HD1  PHE 108           HD1      PHE 108  -8.438   5.838  -0.664
  833    HD2  PHE 108           HD2      PHE 108  -9.617   1.704  -0.368
  834    HE1  PHE 108           HE1      PHE 108  -6.512   5.187  -2.099
  835    HE2  PHE 108           HE2      PHE 108  -7.698   1.053  -1.811
  836    HZ   PHE 108           HZ       PHE 108  -6.142   2.794  -2.675
  Start of MODEL   20
    1    H1   ALA   1           H1       ALA   1  -3.593  -9.245  -5.600
    2    H2   ALA   1           H2       ALA   1  -4.388  -8.240  -4.583
    3    H3   ALA   1           H3       ALA   1  -4.160  -9.807  -4.169
    4    HA   ALA   1           HA       ALA   1  -2.654  -8.400  -2.934
    5    HB1  ALA   1           HB1      ALA   1  -1.222 -10.149  -4.992
    6    HB2  ALA   1           HB2      ALA   1  -0.556  -9.594  -3.442
    7    HB3  ALA   1           HB3      ALA   1  -1.930 -10.707  -3.461
    8    H    VAL   2           H        VAL   2  -0.660  -7.094  -2.976
    9    HA   VAL   2           HA       VAL   2  -0.333  -5.350  -5.386
   10    HB   VAL   2           HB       VAL   2  -0.620  -4.368  -2.514
   11   HG11  VAL   2          HG11      VAL   2  -0.255  -2.826  -5.124
   12   HG12  VAL   2          HG12      VAL   2  -0.645  -2.101  -3.551
   13   HG13  VAL   2          HG13      VAL   2   0.899  -2.909  -3.768
   14   HG21  VAL   2          HG21      VAL   2  -2.831  -4.972  -3.376
   15   HG22  VAL   2          HG22      VAL   2  -2.673  -3.220  -3.336
   16   HG23  VAL   2          HG23      VAL   2  -2.517  -4.078  -4.884
   17    H    GLU   3           H        GLU   3   1.734  -4.540  -5.698
   18    HA   GLU   3           HA       GLU   3   3.994  -4.562  -5.717
   19    HB2  GLU   3           HB2      GLU   3   3.337  -3.106  -3.748
   20    HB3  GLU   3           HB3      GLU   3   3.848  -4.423  -2.694
   21    HG2  GLU   3           HG2      GLU   3   6.141  -4.292  -3.743
   22    HG3  GLU   3           HG3      GLU   3   5.568  -2.974  -4.762
   23    H    VAL   4           H        VAL   4   3.371  -6.934  -6.387
   24    HA   VAL   4           HA       VAL   4   4.731  -8.962  -4.675
   25    HB   VAL   4           HB       VAL   4   2.940  -9.346  -7.100
   26   HG11  VAL   4          HG11      VAL   4   4.008 -11.362  -5.067
   27   HG12  VAL   4          HG12      VAL   4   2.780 -11.703  -6.302
   28   HG13  VAL   4          HG13      VAL   4   4.414 -11.299  -6.801
   29   HG21  VAL   4          HG21      VAL   4   1.628  -8.443  -5.233
   30   HG22  VAL   4          HG22      VAL   4   1.263 -10.154  -5.449
   31   HG23  VAL   4          HG23      VAL   4   2.334  -9.641  -4.125
   32    H    GLU   5           H        GLU   5   6.343 -10.338  -5.562
   33    HA   GLU   5           HA       GLU   5   8.201  -9.082  -7.409
   34    HB2  GLU   5           HB2      GLU   5   8.252 -11.776  -6.002
   35    HB3  GLU   5           HB3      GLU   5   9.590 -11.078  -6.927
   36    HG2  GLU   5           HG2      GLU   5   9.694  -9.157  -5.386
   37    HG3  GLU   5           HG3      GLU   5   8.361  -9.823  -4.439
   38    H    VAL   6           H        VAL   6   6.135  -9.210  -8.949
   39    HA   VAL   6           HA       VAL   6   5.814 -11.647 -10.491
   40    HB   VAL   6           HB       VAL   6   4.692  -8.852 -10.699
   41   HG11  VAL   6          HG11      VAL   6   4.194 -11.159 -12.644
   42   HG12  VAL   6          HG12      VAL   6   3.214  -9.681 -12.528
   43   HG13  VAL   6          HG13      VAL   6   4.894  -9.573 -13.052
   44   HG21  VAL   6          HG21      VAL   6   3.808 -10.408  -8.992
   45   HG22  VAL   6          HG22      VAL   6   2.601 -10.011 -10.221
   46   HG23  VAL   6          HG23      VAL   6   3.425 -11.586 -10.262
   47    HA   PRO   7           HA       PRO   7   8.451  -9.739 -13.890
   48    HB2  PRO   7           HB2      PRO   7   9.609  -7.320 -13.843
   49    HB3  PRO   7           HB3      PRO   7   7.860  -7.482 -14.141
   50    HG2  PRO   7           HG2      PRO   7   9.217  -6.909 -11.484
   51    HG3  PRO   7           HG3      PRO   7   7.880  -5.986 -12.251
   52    HD2  PRO   7           HD2      PRO   7   7.425  -7.916 -10.377
   53    HD3  PRO   7           HD3      PRO   7   6.312  -7.669 -11.757
   54    H    GLY   8           H        GLY   8  10.755  -9.473 -14.384
   55    HA2  GLY   8           HA2      GLY   8  12.988  -8.956 -13.115
   56    HA3  GLY   8           HA3      GLY   8  12.582 -10.401 -12.199
   57    H    LEU   9           H        LEU   9  14.839  -9.729 -14.119
   58    HA   LEU   9           HA       LEU   9  14.828 -12.337 -15.452
   59    HB2  LEU   9           HB2      LEU   9  15.456 -11.497 -17.669
   60    HB3  LEU   9           HB3      LEU   9  13.829 -11.140 -17.156
   61    HG   LEU   9           HG       LEU   9  14.550  -8.773 -16.652
   62   HD11  LEU   9          HD11      LEU   9  17.009  -9.581 -18.256
   63   HD12  LEU   9          HD12      LEU   9  16.526  -7.909 -17.893
   64   HD13  LEU   9          HD13      LEU   9  16.986  -9.001 -16.582
   65   HD21  LEU   9          HD21      LEU   9  13.298  -9.406 -18.672
   66   HD22  LEU   9          HD22      LEU   9  14.446  -8.107 -19.024
   67   HD23  LEU   9          HD23      LEU   9  14.818  -9.774 -19.510
   68    H    LEU  10           H        LEU  10  16.247 -11.534 -13.185
   69    HA   LEU  10           HA       LEU  10  19.019 -10.955 -13.771
   70    HB2  LEU  10           HB2      LEU  10  17.595 -12.250 -11.425
   71    HB3  LEU  10           HB3      LEU  10  19.338 -12.235 -11.509
   72    HG   LEU  10           HG       LEU  10  17.902  -9.624 -11.880
   73   HD11  LEU  10          HD11      LEU  10  18.408 -10.953  -9.181
   74   HD12  LEU  10          HD12      LEU  10  17.934  -9.256  -9.418
   75   HD13  LEU  10          HD13      LEU  10  16.822 -10.555  -9.878
   76   HD21  LEU  10          HD21      LEU  10  20.384  -9.769 -12.097
   77   HD22  LEU  10          HD22      LEU  10  19.888  -8.731 -10.746
   78   HD23  LEU  10          HD23      LEU  10  20.471 -10.373 -10.417
   79    H    THR  11           H        THR  11  20.141 -12.143 -15.169
   80    HA   THR  11           HA       THR  11  20.080 -15.114 -14.898
   81    HB   THR  11           HB       THR  11  20.795 -13.398 -17.280
   82    HG1  THR  11           HG1      THR  11  18.982 -14.407 -18.136
   83   HG21  THR  11          HG21      THR  11  20.999 -16.416 -16.880
   84   HG22  THR  11          HG22      THR  11  20.967 -15.630 -18.470
   85   HG23  THR  11          HG23      THR  11  22.293 -15.287 -17.360
   86    H    ASP  12           H        ASP  12  21.837 -16.231 -14.503
   87    HA   ASP  12           HA       ASP  12  24.283 -15.028 -13.549
   88    HB2  ASP  12           HB2      ASP  12  24.949 -17.319 -13.132
   89    HB3  ASP  12           HB3      ASP  12  23.346 -17.008 -12.503
   90    H    HIS  13           H        HIS  13  24.343 -13.849 -15.791
   91    HA   HIS  13           HA       HIS  13  25.824 -15.340 -17.878
   92    HB2  HIS  13           HB2      HIS  13  24.876 -12.474 -17.619
   93    HB3  HIS  13           HB3      HIS  13  25.989 -12.977 -18.887
   94    HD2  HIS  13           HD2      HIS  13  24.740 -15.587 -19.990
   95    HE1  HIS  13           HE1      HIS  13  21.187 -13.307 -20.596
   96    HE2  HIS  13           HE2      HIS  13  22.446 -15.415 -21.274
   97    H    THR  14           H        THR  14  27.007 -15.703 -15.498
   98    HA   THR  14           HA       THR  14  29.467 -14.098 -15.627
   99    HB   THR  14           HB       THR  14  29.578 -14.053 -13.161
  100    HG1  THR  14           HG1      THR  14  27.681 -14.513 -12.011
  101   HG21  THR  14          HG21      THR  14  26.942 -12.831 -14.051
  102   HG22  THR  14          HG22      THR  14  28.000 -12.309 -12.727
  103   HG23  THR  14          HG23      THR  14  28.531 -12.116 -14.405
  104    H    VAL  15           H        VAL  15  31.403 -15.175 -15.427
  105    HA   VAL  15           HA       VAL  15  31.327 -18.101 -14.830
  106    HB   VAL  15           HB       VAL  15  32.680 -18.560 -16.820
  107   HG11  VAL  15          HG11      VAL  15  30.049 -17.210 -17.497
  108   HG12  VAL  15          HG12      VAL  15  30.870 -18.499 -18.402
  109   HG13  VAL  15          HG13      VAL  15  30.223 -18.827 -16.783
  110   HG21  VAL  15          HG21      VAL  15  33.652 -16.321 -17.283
  111   HG22  VAL  15          HG22      VAL  15  32.808 -16.985 -18.687
  112   HG23  VAL  15          HG23      VAL  15  32.041 -15.712 -17.716
  113    H    SER  16           H        SER  16  32.231 -16.164 -13.085
  114    HA   SER  16           HA       SER  16  35.191 -16.707 -12.911
  115    HB2  SER  16           HB2      SER  16  35.159 -14.444 -13.403
  116    HB3  SER  16           HB3      SER  16  33.617 -14.177 -12.579
  117    HG   SER  16           HG       SER  16  36.181 -14.151 -11.539
  118    H    SER  17           H        SER  17  36.071 -17.111 -10.825
  119    HA   SER  17           HA       SER  17  34.478 -18.465  -8.935
  120    HB2  SER  17           HB2      SER  17  37.114 -17.027  -8.436
  121    HB3  SER  17           HB3      SER  17  36.417 -18.330  -7.454
  122    HG   SER  17           HG       SER  17  37.979 -19.131  -8.952
  123    H    ILE  18           H        ILE  18  35.314 -15.008  -9.059
  124    HA   ILE  18           HA       ILE  18  33.637 -14.444  -6.650
  125    HB   ILE  18           HB       ILE  18  34.365 -11.997  -7.353
  126   HG12  ILE  18          HG12      ILE  18  36.785 -13.579  -8.324
  127   HG13  ILE  18          HG13      ILE  18  35.554 -12.876  -9.390
  128   HG21  ILE  18          HG21      ILE  18  36.210 -13.929  -5.892
  129   HG22  ILE  18          HG22      ILE  18  36.165 -12.157  -5.706
  130   HG23  ILE  18          HG23      ILE  18  34.787 -13.121  -5.194
  131   HD11  ILE  18          HD11      ILE  18  37.122 -11.152  -7.506
  132   HD12  ILE  18          HD12      ILE  18  37.651 -11.574  -9.157
  133   HD13  ILE  18          HD13      ILE  18  36.142 -10.714  -8.930
  134    H    GLY  19           H        GLY  19  33.638 -13.786 -10.207
  135    HA2  GLY  19           HA2      GLY  19  31.321 -12.085 -10.069
  136    HA3  GLY  19           HA3      GLY  19  31.939 -12.885 -11.512
  137    H    HIS  20           H        HIS  20  31.552 -15.630 -10.297
  138    HA   HIS  20           HA       HIS  20  28.750 -16.123 -10.850
  139    HB2  HIS  20           HB2      HIS  20  30.503 -17.798 -11.232
  140    HB3  HIS  20           HB3      HIS  20  30.847 -17.852  -9.499
  141    HD2  HIS  20           HD2      HIS  20  29.381 -19.438  -8.022
  142    HE1  HIS  20           HE1      HIS  20  26.501 -20.610 -10.946
  143    HE2  HIS  20           HE2      HIS  20  27.365 -21.042  -8.589
  144    H    ASP  21           H        ASP  21  30.666 -15.615  -7.846
  145    HA   ASP  21           HA       ASP  21  28.424 -16.224  -6.081
  146    HB2  ASP  21           HB2      ASP  21  31.169 -14.989  -5.669
  147    HB3  ASP  21           HB3      ASP  21  29.958 -15.067  -4.397
  148    H    PHE  22           H        PHE  22  29.793 -13.221  -7.534
  149    HA   PHE  22           HA       PHE  22  28.195 -11.342  -6.142
  150    HB2  PHE  22           HB2      PHE  22  30.010 -10.797  -7.772
  151    HB3  PHE  22           HB3      PHE  22  28.969 -11.277  -9.088
  152    HD1  PHE  22           HD1      PHE  22  29.687  -8.596  -6.649
  153    HD2  PHE  22           HD2      PHE  22  26.884 -10.002  -9.590
  154    HE1  PHE  22           HE1      PHE  22  28.715  -6.319  -6.820
  155    HE2  PHE  22           HE2      PHE  22  25.859  -7.744  -9.708
  156    HZ   PHE  22           HZ       PHE  22  26.800  -5.898  -8.354
  157    H    TYR  23           H        TYR  23  27.306 -13.279  -9.033
  158    HA   TYR  23           HA       TYR  23  24.734 -12.189  -9.464
  159    HB2  TYR  23           HB2      TYR  23  25.674 -13.773 -11.034
  160    HB3  TYR  23           HB3      TYR  23  25.723 -15.042  -9.803
  161    HD1  TYR  23           HD1      TYR  23  23.378 -12.914 -11.786
  162    HD2  TYR  23           HD2      TYR  23  23.883 -16.450  -9.385
  163    HE1  TYR  23           HE1      TYR  23  21.015 -13.538 -12.214
  164    HE2  TYR  23           HE2      TYR  23  21.528 -17.114  -9.861
  165    HH   TYR  23           HH       TYR  23  19.346 -15.150 -11.911
  166    H    ARG  24           H        ARG  24  25.572 -14.957  -7.349
  167    HA   ARG  24           HA       ARG  24  22.876 -15.347  -6.382
  168    HB2  ARG  24           HB2      ARG  24  25.491 -16.251  -5.080
  169    HB3  ARG  24           HB3      ARG  24  23.870 -16.889  -4.789
  170    HG2  ARG  24           HG2      ARG  24  23.840 -17.498  -7.315
  171    HG3  ARG  24           HG3      ARG  24  25.561 -17.135  -7.308
  172    HD2  ARG  24           HD2      ARG  24  25.371 -19.484  -7.026
  173    HD3  ARG  24           HD3      ARG  24  25.879 -18.809  -5.467
  174    HE   ARG  24           HE       ARG  24  22.988 -19.053  -5.657
  175   HH11  ARG  24          HH11      ARG  24  25.814 -21.041  -5.050
  176   HH12  ARG  24          HH12      ARG  24  24.899 -22.228  -4.163
  177   HH21  ARG  24          HH21      ARG  24  21.888 -20.594  -4.494
  178   HH22  ARG  24          HH22      ARG  24  22.732 -21.975  -3.862
  179    H    ALA  25           H        ALA  25  25.703 -13.717  -4.951
  180    HA   ALA  25           HA       ALA  25  24.401 -12.980  -2.503
  181    HB1  ALA  25           HB1      ALA  25  26.738 -11.634  -3.931
  182    HB2  ALA  25           HB2      ALA  25  26.350 -11.548  -2.195
  183    HB3  ALA  25           HB3      ALA  25  26.883 -13.082  -2.902
  184    H    PHE  26           H        PHE  26  24.746 -11.160  -5.613
  185    HA   PHE  26           HA       PHE  26  23.439  -8.801  -4.680
  186    HB2  PHE  26           HB2      PHE  26  24.795  -8.876  -6.708
  187    HB3  PHE  26           HB3      PHE  26  23.714 -10.017  -7.464
  188    HD1  PHE  26           HD1      PHE  26  21.213  -9.198  -7.863
  189    HD2  PHE  26           HD2      PHE  26  24.544  -6.559  -7.120
  190    HE1  PHE  26           HE1      PHE  26  19.938  -7.324  -8.823
  191    HE2  PHE  26           HE2      PHE  26  23.276  -4.691  -8.172
  192    HZ   PHE  26           HZ       PHE  26  20.956  -5.078  -9.011
  193    H    SER  27           H        SER  27  22.104 -11.686  -6.415
  194    HA   SER  27           HA       SER  27  19.433 -10.671  -6.451
  195    HB2  SER  27           HB2      SER  27  18.736 -12.820  -7.200
  196    HB3  SER  27           HB3      SER  27  20.271 -12.414  -7.990
  197    HG   SER  27           HG       SER  27  20.203 -14.594  -7.195
  198    H    ASP  28           H        ASP  28  21.133 -12.576  -3.988
  199    HA   ASP  28           HA       ASP  28  18.910 -13.244  -2.350
  200    HB2  ASP  28           HB2      ASP  28  21.875 -12.845  -1.895
  201    HB3  ASP  28           HB3      ASP  28  20.818 -13.044  -0.514
  202    H    LYS  29           H        LYS  29  20.717 -10.164  -2.542
  203    HA   LYS  29           HA       LYS  29  18.772  -9.036  -0.557
  204    HB2  LYS  29           HB2      LYS  29  20.672  -7.152  -0.484
  205    HB3  LYS  29           HB3      LYS  29  20.495  -8.453   0.642
  206    HG2  LYS  29           HG2      LYS  29  22.305  -8.707  -1.781
  207    HG3  LYS  29           HG3      LYS  29  22.829  -7.855  -0.340
  208    HD2  LYS  29           HD2      LYS  29  22.019 -10.788  -0.384
  209    HD3  LYS  29           HD3      LYS  29  23.663 -10.158  -0.385
  210    HE2  LYS  29           HE2      LYS  29  23.252  -9.043   1.809
  211    HE3  LYS  29           HE3      LYS  29  21.615  -9.706   1.840
  212    HZ1  LYS  29           HZ1      LYS  29  24.106 -11.348   1.838
  213    HZ2  LYS  29           HZ2      LYS  29  23.146 -11.083   3.129
  214    HZ3  LYS  29           HZ3      LYS  29  22.582 -11.954   1.872
  215    H    TRP  30           H        TRP  30  19.097  -9.060  -3.791
  216    HA   TRP  30           HA       TRP  30  18.624  -6.373  -4.523
  217    HB2  TRP  30           HB2      TRP  30  19.230  -8.072  -6.138
  218    HB3  TRP  30           HB3      TRP  30  17.718  -8.940  -5.854
  219    HD1  TRP  30           HD1      TRP  30  15.968  -8.476  -7.629
  220    HE1  TRP  30           HE1      TRP  30  15.337  -6.549  -9.198
  221    HE3  TRP  30           HE3      TRP  30  19.535  -5.085  -6.217
  222    HZ2  TRP  30           HZ2      TRP  30  16.219  -3.846  -9.714
  223    HZ3  TRP  30           HZ3      TRP  30  19.568  -2.824  -7.201
  224    HH2  TRP  30           HH2      TRP  30  17.950  -2.186  -8.970
  225    H    GLU  31           H        GLU  31  17.008  -5.018  -4.439
  226    HA   GLU  31           HA       GLU  31  14.244  -5.753  -4.711
  227    HB2  GLU  31           HB2      GLU  31  14.546  -6.087  -2.240
  228    HB3  GLU  31           HB3      GLU  31  15.113  -4.421  -2.096
  229    HG2  GLU  31           HG2      GLU  31  12.916  -3.596  -2.872
  230    HG3  GLU  31           HG3      GLU  31  12.370  -5.254  -3.140
  231    H    SER  32           H        SER  32  13.191  -4.015  -5.730
  232    HA   SER  32           HA       SER  32  14.212  -1.284  -5.422
  233    HB2  SER  32           HB2      SER  32  15.564  -2.414  -7.262
  234    HB3  SER  32           HB3      SER  32  14.082  -2.276  -8.237
  235    HG   SER  32           HG       SER  32  15.627  -0.228  -6.959
  236    H    ASP  33           H        ASP  33  12.893   0.309  -6.640
  237    HA   ASP  33           HA       ASP  33  10.048  -0.259  -6.152
  238    HB2  ASP  33           HB2      ASP  33  11.211   1.800  -5.368
  239    HB3  ASP  33           HB3      ASP  33  11.417   2.299  -7.049
  240    H    TYR  34           H        TYR  34  12.078   0.095  -8.976
  241    HA   TYR  34           HA       TYR  34   9.855   0.478 -10.862
  242    HB2  TYR  34           HB2      TYR  34  11.467   0.859 -12.487
  243    HB3  TYR  34           HB3      TYR  34  12.154   1.581 -11.050
  244    HD1  TYR  34           HD1      TYR  34  12.820  -0.572 -13.822
  245    HD2  TYR  34           HD2      TYR  34  13.797   0.046  -9.667
  246    HE1  TYR  34           HE1      TYR  34  14.746  -2.078 -14.049
  247    HE2  TYR  34           HE2      TYR  34  15.704  -1.499  -9.863
  248    HH   TYR  34           HH       TYR  34  16.556  -3.058 -13.010
  249    H    THR  35           H        THR  35  10.559  -1.040 -13.031
  250    HA   THR  35           HA       THR  35   9.189  -3.470 -12.439
  251    HB   THR  35           HB       THR  35  10.562  -3.040 -15.071
  252    HG1  THR  35           HG1      THR  35   8.971  -1.520 -15.636
  253   HG21  THR  35          HG21      THR  35   7.691  -3.765 -14.291
  254   HG22  THR  35          HG22      THR  35   8.338  -3.717 -15.947
  255   HG23  THR  35          HG23      THR  35   8.939  -4.920 -14.805
  256    H    GLY  36           H        GLY  36  12.531  -2.936 -12.076
  257    HA2  GLY  36           HA2      GLY  36  14.213  -4.400 -11.544
  258    HA3  GLY  36           HA3      GLY  36  12.934  -5.599 -11.261
  259    H    ASN  37           H        ASN  37  13.476  -4.291 -14.470
  260    HA   ASN  37           HA       ASN  37  14.132  -6.999 -15.413
  261    HB2  ASN  37           HB2      ASN  37  13.673  -4.457 -16.992
  262    HB3  ASN  37           HB3      ASN  37  13.837  -6.087 -17.651
  263   HD21  ASN  37          HD21      ASN  37  10.560  -7.093 -16.381
  264   HD22  ASN  37          HD22      ASN  37  12.197  -7.729 -16.324
  265    H    LEU  38           H        LEU  38  16.139  -6.873 -14.137
  266    HA   LEU  38           HA       LEU  38  18.386  -5.800 -15.775
  267    HB2  LEU  38           HB2      LEU  38  19.613  -5.177 -13.958
  268    HB3  LEU  38           HB3      LEU  38  17.999  -4.593 -13.588
  269    HG   LEU  38           HG       LEU  38  19.380  -7.045 -12.385
  270   HD11  LEU  38          HD11      LEU  38  18.674  -4.306 -11.295
  271   HD12  LEU  38          HD12      LEU  38  19.147  -5.668 -10.274
  272   HD13  LEU  38          HD13      LEU  38  20.293  -5.048 -11.454
  273   HD21  LEU  38          HD21      LEU  38  16.940  -7.458 -12.414
  274   HD22  LEU  38          HD22      LEU  38  17.525  -7.144 -10.786
  275   HD23  LEU  38          HD23      LEU  38  16.670  -5.857 -11.663
  276    H    THR  39           H        THR  39  20.348  -6.882 -15.895
  277    HA   THR  39           HA       THR  39  20.529  -9.607 -14.733
  278    HB   THR  39           HB       THR  39  19.629  -9.823 -17.045
  279    HG1  THR  39           HG1      THR  39  21.449 -11.369 -17.505
  280   HG21  THR  39          HG21      THR  39  22.414  -8.966 -17.910
  281   HG22  THR  39          HG22      THR  39  21.135  -9.647 -18.936
  282   HG23  THR  39          HG23      THR  39  20.905  -8.060 -18.191
  283    H    ILE  40           H        ILE  40  22.765 -10.502 -14.958
  284    HA   ILE  40           HA       ILE  40  24.746  -8.333 -14.286
  285    HB   ILE  40           HB       ILE  40  24.263 -11.010 -12.946
  286   HG12  ILE  40          HG12      ILE  40  24.057  -8.223 -11.707
  287   HG13  ILE  40          HG13      ILE  40  22.666  -9.058 -12.383
  288   HG21  ILE  40          HG21      ILE  40  26.316  -8.914 -12.086
  289   HG22  ILE  40          HG22      ILE  40  26.100 -10.582 -11.487
  290   HG23  ILE  40          HG23      ILE  40  26.740 -10.314 -13.081
  291   HD11  ILE  40          HD11      ILE  40  24.354 -10.084 -10.083
  292   HD12  ILE  40          HD12      ILE  40  22.712  -9.419 -10.013
  293   HD13  ILE  40          HD13      ILE  40  22.988 -10.949 -10.847
  294    H    ASN  41           H        ASN  41  26.523  -8.392 -15.449
  295    HA   ASN  41           HA       ASN  41  27.275 -10.866 -16.941
  296    HB2  ASN  41           HB2      ASN  41  27.742  -8.010 -17.865
  297    HB3  ASN  41           HB3      ASN  41  27.850  -9.489 -18.805
  298   HD21  ASN  41          HD21      ASN  41  24.225  -7.599 -18.272
  299   HD22  ASN  41          HD22      ASN  41  25.626  -7.170 -17.296
  300    H    GLU  42           H        GLU  42  29.539 -11.418 -16.826
  301    HA   GLU  42           HA       GLU  42  31.291  -9.320 -15.684
  302    HB2  GLU  42           HB2      GLU  42  32.335 -10.726 -14.112
  303    HB3  GLU  42           HB3      GLU  42  30.621 -11.011 -13.939
  304    HG2  GLU  42           HG2      GLU  42  31.378 -13.156 -13.885
  305    HG3  GLU  42           HG3      GLU  42  31.082 -12.969 -15.622
  306    H    ARG  43           H        ARG  43  33.496  -9.384 -16.166
  307    HA   ARG  43           HA       ARG  43  34.257 -11.127 -18.462
  308    HB2  ARG  43           HB2      ARG  43  33.967  -8.749 -19.177
  309    HB3  ARG  43           HB3      ARG  43  35.268  -8.299 -18.075
  310    HG2  ARG  43           HG2      ARG  43  36.825  -9.830 -19.275
  311    HG3  ARG  43           HG3      ARG  43  35.517 -10.277 -20.384
  312    HD2  ARG  43           HD2      ARG  43  35.352  -7.878 -21.102
  313    HD3  ARG  43           HD3      ARG  43  36.666  -7.478 -19.999
  314    HE   ARG  43           HE       ARG  43  38.230  -8.494 -21.397
  315   HH11  ARG  43          HH11      ARG  43  35.049  -9.095 -22.772
  316   HH12  ARG  43          HH12      ARG  43  35.716  -9.641 -24.285
  317   HH21  ARG  43          HH21      ARG  43  38.996  -9.195 -23.351
  318   HH22  ARG  43          HH22      ARG  43  37.893  -9.692 -24.600
  319    HA   PRO  44           HA       PRO  44  37.119 -12.266 -15.225
  320    HB2  PRO  44           HB2      PRO  44  37.940 -14.660 -16.216
  321    HB3  PRO  44           HB3      PRO  44  36.294 -14.405 -15.577
  322    HG2  PRO  44           HG2      PRO  44  37.214 -14.350 -18.467
  323    HG3  PRO  44           HG3      PRO  44  35.799 -15.208 -17.770
  324    HD2  PRO  44           HD2      PRO  44  35.598 -12.758 -18.973
  325    HD3  PRO  44           HD3      PRO  44  34.550 -13.244 -17.610
  326    H    SER  45           H        SER  45  39.051 -11.336 -14.982
  327    HA   SER  45           HA       SER  45  40.982 -11.151 -17.256
  328    HB2  SER  45           HB2      SER  45  39.872  -8.830 -15.629
  329    HB3  SER  45           HB3      SER  45  41.232  -8.735 -16.769
  330    HG   SER  45           HG       SER  45  39.275  -8.112 -17.775
  331    H    ALA  46           H        ALA  46  42.561 -12.370 -16.364
  332    HA   ALA  46           HA       ALA  46  43.076 -12.641 -13.633
  333    HB1  ALA  46           HB1      ALA  46  44.902 -13.227 -16.008
  334    HB2  ALA  46           HB2      ALA  46  45.042 -13.939 -14.385
  335    HB3  ALA  46           HB3      ALA  46  43.622 -14.297 -15.383
  336    H    ARG  47           H        ARG  47  44.091 -10.005 -15.532
  337    HA   ARG  47           HA       ARG  47  46.342  -8.993 -14.136
  338    HB2  ARG  47           HB2      ARG  47  45.607  -6.809 -14.880
  339    HB3  ARG  47           HB3      ARG  47  45.329  -7.985 -16.160
  340    HG2  ARG  47           HG2      ARG  47  42.899  -8.123 -15.357
  341    HG3  ARG  47           HG3      ARG  47  43.231  -6.751 -14.305
  342    HD2  ARG  47           HD2      ARG  47  43.588  -6.728 -17.330
  343    HD3  ARG  47           HD3      ARG  47  42.134  -6.176 -16.479
  344    HE   ARG  47           HE       ARG  47  44.349  -4.796 -15.361
  345   HH11  ARG  47          HH11      ARG  47  42.604  -4.833 -18.406
  346   HH12  ARG  47          HH12      ARG  47  42.970  -3.165 -18.740
  347   HH21  ARG  47          HH21      ARG  47  44.789  -2.672 -15.860
  348   HH22  ARG  47          HH22      ARG  47  44.177  -1.979 -17.332
  349    H    ALA  48           H        ALA  48  43.006  -9.247 -13.009
  350    HA   ALA  48           HA       ALA  48  43.804  -8.404 -10.301
  351    HB1  ALA  48           HB1      ALA  48  41.977  -6.739 -12.078
  352    HB2  ALA  48           HB2      ALA  48  42.026  -6.574 -10.315
  353    HB3  ALA  48           HB3      ALA  48  43.473  -6.234 -11.277
  354    H    GLY  49           H        GLY  49  41.273  -9.871 -12.376
  355    HA2  GLY  49           HA2      GLY  49  40.075 -11.615 -10.729
  356    HA3  GLY  49           HA3      GLY  49  39.412 -10.119 -10.077
  357    H    SER  50           H        SER  50  37.526  -9.396 -10.949
  358    HA   SER  50           HA       SER  50  36.918 -10.013 -13.788
  359    HB2  SER  50           HB2      SER  50  34.534 -10.426 -13.152
  360    HB3  SER  50           HB3      SER  50  35.664 -11.718 -12.711
  361    HG   SER  50           HG       SER  50  34.319 -11.329 -10.981
  362    H    TRP  51           H        TRP  51  35.768  -8.529 -14.908
  363    HA   TRP  51           HA       TRP  51  34.969  -5.975 -13.583
  364    HB2  TRP  51           HB2      TRP  51  35.291  -6.919 -16.396
  365    HB3  TRP  51           HB3      TRP  51  33.898  -5.902 -16.095
  366    HD1  TRP  51           HD1      TRP  51  37.485  -5.679 -16.832
  367    HE1  TRP  51           HE1      TRP  51  38.314  -3.259 -16.656
  368    HE3  TRP  51           HE3      TRP  51  33.430  -3.618 -14.475
  369    HZ2  TRP  51           HZ2      TRP  51  37.298  -0.717 -15.702
  370    HZ3  TRP  51           HZ3      TRP  51  33.398  -1.183 -13.945
  371    HH2  TRP  51           HH2      TRP  51  35.301   0.266 -14.561
  372    H    ILE  52           H        ILE  52  32.908  -5.721 -12.851
  373    HA   ILE  52           HA       ILE  52  30.792  -7.675 -13.696
  374    HB   ILE  52           HB       ILE  52  30.886  -5.912 -11.215
  375   HG12  ILE  52          HG12      ILE  52  32.515  -7.666 -10.911
  376   HG13  ILE  52          HG13      ILE  52  31.101  -7.970  -9.912
  377   HG21  ILE  52          HG21      ILE  52  28.863  -8.006 -12.140
  378   HG22  ILE  52          HG22      ILE  52  28.920  -7.293 -10.514
  379   HG23  ILE  52          HG23      ILE  52  28.587  -6.262 -11.899
  380   HD11  ILE  52          HD11      ILE  52  31.624  -9.336 -12.577
  381   HD12  ILE  52          HD12      ILE  52  32.049 -10.018 -11.019
  382   HD13  ILE  52          HD13      ILE  52  30.339  -9.743 -11.422
  383    H    THR  53           H        THR  53  29.186  -6.918 -14.875
  384    HA   THR  53           HA       THR  53  28.654  -3.972 -15.034
  385    HB   THR  53           HB       THR  53  28.818  -5.850 -17.424
  386    HG1  THR  53           HG1      THR  53  30.742  -4.767 -17.896
  387   HG21  THR  53          HG21      THR  53  28.823  -2.801 -17.448
  388   HG22  THR  53          HG22      THR  53  28.574  -3.898 -18.797
  389   HG23  THR  53          HG23      THR  53  27.318  -3.724 -17.566
  390    H    ILE  54           H        ILE  54  26.621  -3.679 -14.383
  391    HA   ILE  54           HA       ILE  54  24.620  -5.848 -14.827
  392    HB   ILE  54           HB       ILE  54  24.773  -5.434 -12.583
  393   HG12  ILE  54          HG12      ILE  54  22.443  -5.639 -13.410
  394   HG13  ILE  54          HG13      ILE  54  22.646  -4.852 -11.857
  395   HG21  ILE  54          HG21      ILE  54  24.654  -2.466 -13.145
  396   HG22  ILE  54          HG22      ILE  54  24.408  -3.172 -11.527
  397   HG23  ILE  54          HG23      ILE  54  25.950  -3.403 -12.362
  398   HD11  ILE  54          HD11      ILE  54  21.878  -3.497 -14.471
  399   HD12  ILE  54          HD12      ILE  54  20.944  -3.641 -13.004
  400   HD13  ILE  54          HD13      ILE  54  22.367  -2.612 -13.008
  401    H    THR  55           H        THR  55  23.070  -5.673 -16.205
  402    HA   THR  55           HA       THR  55  22.714  -3.086 -17.634
  403    HB   THR  55           HB       THR  55  22.038  -4.560 -19.597
  404    HG1  THR  55           HG1      THR  55  22.464  -6.666 -19.514
  405   HG21  THR  55          HG21      THR  55  24.896  -4.686 -18.526
  406   HG22  THR  55          HG22      THR  55  24.419  -5.244 -20.145
  407   HG23  THR  55          HG23      THR  55  24.198  -3.551 -19.709
  408    H    VAL  56           H        VAL  56  20.708  -2.329 -18.026
  409    HA   VAL  56           HA       VAL  56  18.362  -3.890 -17.003
  410    HB   VAL  56           HB       VAL  56  18.827  -0.922 -17.267
  411   HG11  VAL  56          HG11      VAL  56  16.106  -2.318 -17.113
  412   HG12  VAL  56          HG12      VAL  56  16.392  -0.602 -16.741
  413   HG13  VAL  56          HG13      VAL  56  16.666  -1.194 -18.380
  414   HG21  VAL  56          HG21      VAL  56  19.254  -2.266 -15.147
  415   HG22  VAL  56          HG22      VAL  56  18.020  -0.998 -14.957
  416   HG23  VAL  56          HG23      VAL  56  17.537  -2.696 -15.131
  417    H    ASN  57           H        ASN  57  17.379  -4.960 -18.414
  418    HA   ASN  57           HA       ASN  57  16.783  -5.997 -20.318
  419    HB2  ASN  57           HB2      ASN  57  16.441  -3.194 -21.443
  420    HB3  ASN  57           HB3      ASN  57  15.841  -4.674 -22.169
  421   HD21  ASN  57          HD21      ASN  57  13.636  -2.925 -19.332
  422   HD22  ASN  57          HD22      ASN  57  15.069  -2.178 -20.024
  423    H    GLN  58           H        GLN  58  18.612  -3.327 -21.784
  424    HA   GLN  58           HA       GLN  58  20.686  -5.170 -22.828
  425    HB2  GLN  58           HB2      GLN  58  20.388  -4.335 -25.126
  426    HB3  GLN  58           HB3      GLN  58  18.971  -5.197 -24.538
  427    HG2  GLN  58           HG2      GLN  58  17.752  -3.118 -24.167
  428    HG3  GLN  58           HG3      GLN  58  19.183  -2.155 -24.536
  429   HE21  GLN  58          HE21      GLN  58  18.863  -2.598 -28.102
  430   HE22  GLN  58          HE22      GLN  58  20.021  -2.240 -26.829
  431    H    ASP  59           H        ASP  59  20.224  -2.517 -21.054
  432    HA   ASP  59           HA       ASP  59  22.458  -0.897 -22.263
  433    HB2  ASP  59           HB2      ASP  59  19.939  -0.103 -20.759
  434    HB3  ASP  59           HB3      ASP  59  21.297   0.986 -20.980
  435    H    VAL  60           H        VAL  60  24.275  -0.587 -21.012
  436    HA   VAL  60           HA       VAL  60  24.346  -1.670 -18.287
  437    HB   VAL  60           HB       VAL  60  26.485   0.027 -19.649
  438   HG11  VAL  60          HG11      VAL  60  26.574  -1.612 -17.113
  439   HG12  VAL  60          HG12      VAL  60  27.966  -0.857 -17.950
  440   HG13  VAL  60          HG13      VAL  60  26.724   0.155 -17.261
  441   HG21  VAL  60          HG21      VAL  60  26.138  -2.019 -20.923
  442   HG22  VAL  60          HG22      VAL  60  27.689  -1.986 -20.085
  443   HG23  VAL  60          HG23      VAL  60  26.360  -2.968 -19.443
  444    H    ILE  61           H        ILE  61  24.053  -0.692 -16.438
  445    HA   ILE  61           HA       ILE  61  23.752   2.301 -16.371
  446    HB   ILE  61           HB       ILE  61  22.237   1.823 -14.392
  447   HG12  ILE  61          HG12      ILE  61  21.614  -0.805 -15.728
  448   HG13  ILE  61          HG13      ILE  61  22.767  -0.705 -14.385
  449   HG21  ILE  61          HG21      ILE  61  21.224   1.144 -17.173
  450   HG22  ILE  61          HG22      ILE  61  20.264   1.805 -15.823
  451   HG23  ILE  61          HG23      ILE  61  21.535   2.785 -16.555
  452   HD11  ILE  61          HD11      ILE  61  19.896   0.299 -14.238
  453   HD12  ILE  61          HD12      ILE  61  20.481  -1.243 -13.621
  454   HD13  ILE  61          HD13      ILE  61  21.096   0.266 -12.926
  455    H    PHE  62           H        PHE  62  25.193  -0.530 -14.833
  456    HA   PHE  62           HA       PHE  62  26.966   1.293 -13.426
  457    HB2  PHE  62           HB2      PHE  62  25.319   1.159 -11.727
  458    HB3  PHE  62           HB3      PHE  62  25.082  -0.560 -11.930
  459    HD1  PHE  62           HD1      PHE  62  26.347  -2.085 -10.508
  460    HD2  PHE  62           HD2      PHE  62  27.648   2.006 -10.946
  461    HE1  PHE  62           HE1      PHE  62  28.199  -2.497  -8.892
  462    HE2  PHE  62           HE2      PHE  62  29.457   1.596  -9.300
  463    HZ   PHE  62           HZ       PHE  62  29.725  -0.649  -8.274
  464    H    GLN  63           H        GLN  63  28.927   0.394 -12.905
  465    HA   GLN  63           HA       GLN  63  29.403  -2.425 -13.205
  466    HB2  GLN  63           HB2      GLN  63  31.042  -2.317 -15.033
  467    HB3  GLN  63           HB3      GLN  63  29.426  -1.858 -15.561
  468    HG2  GLN  63           HG2      GLN  63  30.083   0.545 -15.475
  469    HG3  GLN  63           HG3      GLN  63  31.717   0.073 -15.002
  470   HE21  GLN  63          HE21      GLN  63  32.456  -1.319 -18.310
  471   HE22  GLN  63          HE22      GLN  63  32.710  -1.719 -16.621
  472    H    THR  64           H        THR  64  31.360  -3.125 -12.349
  473    HA   THR  64           HA       THR  64  33.312  -1.226 -11.247
  474    HB   THR  64           HB       THR  64  31.473  -1.126  -9.621
  475    HG1  THR  64           HG1      THR  64  32.807  -1.393  -7.868
  476   HG21  THR  64          HG21      THR  64  32.063  -4.060  -9.007
  477   HG22  THR  64          HG22      THR  64  30.895  -2.996  -8.191
  478   HG23  THR  64          HG23      THR  64  30.611  -3.488  -9.862
  479    H    PHE  65           H        PHE  65  35.053  -2.397 -10.013
  480    HA   PHE  65           HA       PHE  65  35.629  -4.986 -11.369
  481    HB2  PHE  65           HB2      PHE  65  37.151  -2.762 -11.347
  482    HB3  PHE  65           HB3      PHE  65  37.767  -3.523  -9.889
  483    HD1  PHE  65           HD1      PHE  65  38.045  -3.332 -13.423
  484    HD2  PHE  65           HD2      PHE  65  38.378  -6.116 -10.153
  485    HE1  PHE  65           HE1      PHE  65  39.344  -4.881 -14.867
  486    HE2  PHE  65           HE2      PHE  65  39.573  -7.696 -11.620
  487    HZ   PHE  65           HZ       PHE  65  40.060  -7.083 -13.999
  488    H    LEU  66           H        LEU  66  35.712  -6.838 -10.258
  489    HA   LEU  66           HA       LEU  66  35.649  -6.815  -7.280
  490    HB2  LEU  66           HB2      LEU  66  34.676  -8.755  -9.362
  491    HB3  LEU  66           HB3      LEU  66  35.085  -9.319  -7.750
  492    HG   LEU  66           HG       LEU  66  32.928  -7.296  -8.376
  493   HD11  LEU  66          HD11      LEU  66  32.790 -10.129  -7.226
  494   HD12  LEU  66          HD12      LEU  66  31.461  -9.102  -7.803
  495   HD13  LEU  66          HD13      LEU  66  32.621  -9.786  -8.945
  496   HD21  LEU  66          HD21      LEU  66  33.821  -6.796  -6.141
  497   HD22  LEU  66          HD22      LEU  66  32.299  -7.684  -5.961
  498   HD23  LEU  66          HD23      LEU  66  33.849  -8.519  -5.726
  499    H    PHE  67           H        PHE  67  37.077  -7.897  -6.090
  500    HA   PHE  67           HA       PHE  67  39.508  -9.028  -7.442
  501    HB2  PHE  67           HB2      PHE  67  39.336  -7.406  -4.888
  502    HB3  PHE  67           HB3      PHE  67  40.801  -8.090  -5.574
  503    HD1  PHE  67           HD1      PHE  67  41.941  -7.005  -7.441
  504    HD2  PHE  67           HD2      PHE  67  38.186  -5.476  -5.967
  505    HE1  PHE  67           HE1      PHE  67  42.300  -4.889  -8.695
  506    HE2  PHE  67           HE2      PHE  67  38.523  -3.392  -7.266
  507    HZ   PHE  67           HZ       PHE  67  40.582  -3.094  -8.633
  508    HA   PRO  68           HA       PRO  68  38.329 -12.606  -5.009
  509    HB2  PRO  68           HB2      PRO  68  40.183 -14.397  -5.858
  510    HB3  PRO  68           HB3      PRO  68  38.920 -13.746  -6.949
  511    HG2  PRO  68           HG2      PRO  68  41.770 -12.727  -6.613
  512    HG3  PRO  68           HG3      PRO  68  40.945 -13.186  -8.146
  513    HD2  PRO  68           HD2      PRO  68  41.066 -10.633  -7.322
  514    HD3  PRO  68           HD3      PRO  68  39.581 -11.296  -8.086
  515    H    LEU  69           H        LEU  69  41.614 -11.253  -4.783
  516    HA   LEU  69           HA       LEU  69  42.328 -12.799  -2.382
  517    HB2  LEU  69           HB2      LEU  69  43.722 -10.483  -3.788
  518    HB3  LEU  69           HB3      LEU  69  44.406 -11.445  -2.486
  519    HG   LEU  69           HG       LEU  69  43.701 -12.490  -5.259
  520   HD11  LEU  69          HD11      LEU  69  46.389 -11.979  -3.924
  521   HD12  LEU  69          HD12      LEU  69  46.129 -12.670  -5.542
  522   HD13  LEU  69          HD13      LEU  69  45.659 -10.995  -5.213
  523   HD21  LEU  69          HD21      LEU  69  43.457 -14.298  -3.621
  524   HD22  LEU  69          HD22      LEU  69  44.937 -14.530  -4.554
  525   HD23  LEU  69          HD23      LEU  69  45.032 -13.889  -2.899
  526    H    LYS  70           H        LYS  70  40.486 -10.048  -2.906
  527    HA   LYS  70           HA       LYS  70  41.147  -8.777  -0.274
  528    HB2  LYS  70           HB2      LYS  70  41.431  -7.516  -2.467
  529    HB3  LYS  70           HB3      LYS  70  39.672  -7.564  -2.634
  530    HG2  LYS  70           HG2      LYS  70  39.454  -6.281  -0.509
  531    HG3  LYS  70           HG3      LYS  70  41.224  -6.259  -0.346
  532    HD2  LYS  70           HD2      LYS  70  41.416  -4.997  -2.467
  533    HD3  LYS  70           HD3      LYS  70  39.669  -5.131  -2.714
  534    HE2  LYS  70           HE2      LYS  70  39.505  -3.956  -0.354
  535    HE3  LYS  70           HE3      LYS  70  41.184  -3.492  -0.652
  536    HZ1  LYS  70           HZ1      LYS  70  38.845  -2.891  -2.404
  537    HZ2  LYS  70           HZ2      LYS  70  39.638  -1.793  -1.473
  538    HZ3  LYS  70           HZ3      LYS  70  40.398  -2.454  -2.762
  539    H    ARG  71           H        ARG  71  39.476  -8.087   1.116
  540    HA   ARG  71           HA       ARG  71  37.031  -9.794   1.014
  541    HB2  ARG  71           HB2      ARG  71  38.329  -8.391   3.379
  542    HB3  ARG  71           HB3      ARG  71  36.926  -9.469   3.435
  543    HG2  ARG  71           HG2      ARG  71  38.382 -11.293   2.407
  544    HG3  ARG  71           HG3      ARG  71  39.763 -10.209   2.606
  545    HD2  ARG  71           HD2      ARG  71  39.795 -11.667   4.466
  546    HD3  ARG  71           HD3      ARG  71  39.238 -10.097   5.075
  547    HE   ARG  71           HE       ARG  71  36.973 -11.710   4.348
  548   HH11  ARG  71          HH11      ARG  71  39.421 -11.645   6.854
  549   HH12  ARG  71          HH12      ARG  71  38.409 -12.486   7.998
  550   HH21  ARG  71          HH21      ARG  71  35.725 -12.768   5.857
  551   HH22  ARG  71          HH22      ARG  71  36.368 -13.104   7.437
  552    H    ASP  72           H        ASP  72  37.276  -7.162  -0.438
  553    HA   ASP  72           HA       ASP  72  35.099  -5.631   0.838
  554    HB2  ASP  72           HB2      ASP  72  35.472  -3.902  -0.684
  555    HB3  ASP  72           HB3      ASP  72  37.001  -4.400   0.011
  556    H    PHE  73           H        PHE  73  35.217  -8.229  -1.321
  557    HA   PHE  73           HA       PHE  73  33.301  -7.826  -3.246
  558    HB2  PHE  73           HB2      PHE  73  34.467  -9.873  -3.145
  559    HB3  PHE  73           HB3      PHE  73  33.943 -10.231  -1.509
  560    HD1  PHE  73           HD1      PHE  73  31.550 -10.940  -1.045
  561    HD2  PHE  73           HD2      PHE  73  33.174 -10.629  -5.029
  562    HE1  PHE  73           HE1      PHE  73  29.636 -12.233  -1.927
  563    HE2  PHE  73           HE2      PHE  73  31.261 -11.951  -5.910
  564    HZ   PHE  73           HZ       PHE  73  29.468 -12.710  -4.341
  565    H    GLU  74           H        GLU  74  32.477  -8.697   0.160
  566    HA   GLU  74           HA       GLU  74  29.661  -8.829  -0.255
  567    HB2  GLU  74           HB2      GLU  74  31.104  -9.576   1.749
  568    HB3  GLU  74           HB3      GLU  74  31.003  -7.901   2.306
  569    HG2  GLU  74           HG2      GLU  74  28.509  -8.080   2.309
  570    HG3  GLU  74           HG3      GLU  74  28.643  -9.747   1.737
  571    H    LYS  75           H        LYS  75  31.750  -6.117   0.583
  572    HA   LYS  75           HA       LYS  75  29.606  -4.195   1.013
  573    HB2  LYS  75           HB2      LYS  75  32.598  -3.689   0.562
  574    HB3  LYS  75           HB3      LYS  75  31.392  -2.537   1.130
  575    HG2  LYS  75           HG2      LYS  75  32.085  -3.160   3.197
  576    HG3  LYS  75           HG3      LYS  75  30.950  -4.483   2.964
  577    HD2  LYS  75           HD2      LYS  75  33.063  -5.738   1.930
  578    HD3  LYS  75           HD3      LYS  75  33.975  -4.463   2.760
  579    HE2  LYS  75           HE2      LYS  75  32.668  -5.132   4.881
  580    HE3  LYS  75           HE3      LYS  75  32.060  -6.517   3.961
  581    HZ1  LYS  75           HZ1      LYS  75  34.919  -5.952   4.608
  582    HZ2  LYS  75           HZ2      LYS  75  34.020  -7.172   5.204
  583    HZ3  LYS  75           HZ3      LYS  75  34.460  -7.177   3.621
  584    H    THR  76           H        THR  76  31.831  -4.880  -1.710
  585    HA   THR  76           HA       THR  76  30.739  -3.051  -3.589
  586    HB   THR  76           HB       THR  76  32.025  -5.774  -4.017
  587    HG1  THR  76           HG1      THR  76  33.857  -4.455  -4.328
  588   HG21  THR  76          HG21      THR  76  31.489  -3.499  -5.980
  589   HG22  THR  76          HG22      THR  76  32.644  -4.830  -6.275
  590   HG23  THR  76          HG23      THR  76  30.915  -5.173  -6.109
  591    H    VAL  77           H        VAL  77  29.623  -6.392  -2.798
  592    HA   VAL  77           HA       VAL  77  27.494  -6.472  -4.738
  593    HB   VAL  77           HB       VAL  77  27.900  -7.901  -2.093
  594   HG11  VAL  77          HG11      VAL  77  25.608  -8.255  -4.071
  595   HG12  VAL  77          HG12      VAL  77  26.007  -9.378  -2.752
  596   HG13  VAL  77          HG13      VAL  77  25.457  -7.761  -2.366
  597   HG21  VAL  77          HG21      VAL  77  29.307  -8.522  -4.119
  598   HG22  VAL  77          HG22      VAL  77  28.324  -9.828  -3.456
  599   HG23  VAL  77          HG23      VAL  77  27.795  -8.990  -4.930
  600    H    VAL  78           H        VAL  78  27.391  -5.503  -1.245
  601    HA   VAL  78           HA       VAL  78  24.622  -4.766  -1.317
  602    HB   VAL  78           HB       VAL  78  26.879  -3.899   0.527
  603   HG11  VAL  78          HG11      VAL  78  23.874  -3.452   0.846
  604   HG12  VAL  78          HG12      VAL  78  25.081  -3.243   2.132
  605   HG13  VAL  78          HG13      VAL  78  25.124  -2.192   0.719
  606   HG21  VAL  78          HG21      VAL  78  26.260  -6.329   0.565
  607   HG22  VAL  78          HG22      VAL  78  25.861  -5.509   2.076
  608   HG23  VAL  78          HG23      VAL  78  24.578  -5.877   0.900
  609    H    ALA  79           H        ALA  79  27.558  -2.864  -1.983
  610    HA   ALA  79           HA       ALA  79  26.195  -0.337  -2.256
  611    HB1  ALA  79           HB1      ALA  79  28.879  -1.331  -3.305
  612    HB2  ALA  79           HB2      ALA  79  28.378   0.377  -3.144
  613    HB3  ALA  79           HB3      ALA  79  28.584  -0.632  -1.697
  614    H    ALA  80           H        ALA  80  26.908  -2.981  -4.598
  615    HA   ALA  80           HA       ALA  80  26.198  -1.494  -6.947
  616    HB1  ALA  80           HB1      ALA  80  26.002  -4.490  -6.384
  617    HB2  ALA  80           HB2      ALA  80  26.021  -3.706  -7.980
  618    HB3  ALA  80           HB3      ALA  80  27.461  -3.639  -6.938
  619    H    LEU  81           H        LEU  81  24.209  -3.004  -4.451
  620    HA   LEU  81           HA       LEU  81  21.743  -3.189  -5.946
  621    HB2  LEU  81           HB2      LEU  81  21.977  -2.579  -2.974
  622    HB3  LEU  81           HB3      LEU  81  20.639  -3.340  -3.808
  623    HG   LEU  81           HG       LEU  81  23.380  -4.579  -3.443
  624   HD11  LEU  81          HD11      LEU  81  20.818  -5.108  -1.921
  625   HD12  LEU  81          HD12      LEU  81  22.374  -5.957  -1.731
  626   HD13  LEU  81          HD13      LEU  81  22.242  -4.244  -1.301
  627   HD21  LEU  81          HD21      LEU  81  22.134  -5.532  -5.370
  628   HD22  LEU  81          HD22      LEU  81  22.329  -6.698  -4.053
  629   HD23  LEU  81          HD23      LEU  81  20.773  -5.891  -4.278
  630    H    ILE  82           H        ILE  82  23.055  -0.659  -3.803
  631    HA   ILE  82           HA       ILE  82  20.970   1.278  -4.272
  632    HB   ILE  82           HB       ILE  82  23.817   1.675  -3.257
  633   HG12  ILE  82          HG12      ILE  82  21.215   1.301  -1.693
  634   HG13  ILE  82          HG13      ILE  82  22.446   0.057  -1.895
  635   HG21  ILE  82          HG21      ILE  82  21.359   3.484  -3.027
  636   HG22  ILE  82          HG22      ILE  82  22.946   3.791  -2.288
  637   HG23  ILE  82          HG23      ILE  82  22.789   3.805  -4.031
  638   HD11  ILE  82          HD11      ILE  82  22.778   2.653  -0.362
  639   HD12  ILE  82          HD12      ILE  82  22.749   1.000   0.263
  640   HD13  ILE  82          HD13      ILE  82  24.110   1.531  -0.743
  641    H    GLN  83           H        GLN  83  24.260   0.885  -5.687
  642    HA   GLN  83           HA       GLN  83  24.060   3.210  -7.348
  643    HB2  GLN  83           HB2      GLN  83  25.830   0.741  -7.508
  644    HB3  GLN  83           HB3      GLN  83  26.020   2.153  -8.558
  645    HG2  GLN  83           HG2      GLN  83  26.424   3.623  -6.702
  646    HG3  GLN  83           HG3      GLN  83  26.055   2.380  -5.514
  647   HE21  GLN  83          HE21      GLN  83  29.183   0.644  -5.934
  648   HE22  GLN  83          HE22      GLN  83  27.458   0.359  -5.628
  649    H    THR  84           H        THR  84  22.899  -0.075  -7.878
  650    HA   THR  84           HA       THR  84  22.299   0.169 -10.691
  651    HB   THR  84           HB       THR  84  20.994  -1.496  -8.507
  652    HG1  THR  84           HG1      THR  84  23.078  -2.117  -8.872
  653   HG21  THR  84          HG21      THR  84  20.799  -1.790 -11.512
  654   HG22  THR  84          HG22      THR  84  20.179  -2.912 -10.292
  655   HG23  THR  84          HG23      THR  84  19.458  -1.305 -10.459
  656    H    GLU  85           H        GLU  85  20.293   0.929  -7.720
  657    HA   GLU  85           HA       GLU  85  18.155   1.904  -9.472
  658    HB2  GLU  85           HB2      GLU  85  16.968   2.541  -7.553
  659    HB3  GLU  85           HB3      GLU  85  17.598   0.919  -7.304
  660    HG2  GLU  85           HG2      GLU  85  19.171   1.645  -5.696
  661    HG3  GLU  85           HG3      GLU  85  19.042   3.341  -6.167
  662    H    GLU  86           H        GLU  86  20.903   3.455  -7.805
  663    HA   GLU  86           HA       GLU  86  20.084   6.139  -8.089
  664    HB2  GLU  86           HB2      GLU  86  22.804   4.827  -8.087
  665    HB3  GLU  86           HB3      GLU  86  22.632   6.574  -8.215
  666    HG2  GLU  86           HG2      GLU  86  21.168   5.140  -6.004
  667    HG3  GLU  86           HG3      GLU  86  22.904   5.424  -5.857
  668    H    ALA  87           H        ALA  87  21.403   4.010 -10.600
  669    HA   ALA  87           HA       ALA  87  21.747   6.022 -12.633
  670    HB1  ALA  87           HB1      ALA  87  20.987   3.068 -12.890
  671    HB2  ALA  87           HB2      ALA  87  21.660   4.101 -14.160
  672    HB3  ALA  87           HB3      ALA  87  22.651   3.694 -12.743
  673    H    LEU  88           H        LEU  88  18.932   4.126 -11.537
  674    HA   LEU  88           HA       LEU  88  17.230   5.059 -13.751
  675    HB2  LEU  88           HB2      LEU  88  16.574   3.280 -11.387
  676    HB3  LEU  88           HB3      LEU  88  15.610   3.477 -12.848
  677    HG   LEU  88           HG       LEU  88  18.327   2.110 -12.583
  678   HD11  LEU  88          HD11      LEU  88  15.599   1.064 -13.393
  679   HD12  LEU  88          HD12      LEU  88  17.093   0.121 -13.164
  680   HD13  LEU  88          HD13      LEU  88  16.321   0.897 -11.774
  681   HD21  LEU  88          HD21      LEU  88  18.341   3.162 -14.745
  682   HD22  LEU  88          HD22      LEU  88  17.946   1.459 -14.991
  683   HD23  LEU  88          HD23      LEU  88  16.648   2.666 -15.060
  684    H    ASN  89           H        ASN  89  17.828   5.872 -10.457
  685    HA   ASN  89           HA       ASN  89  15.439   7.122  -9.684
  686    HB2  ASN  89           HB2      ASN  89  18.284   7.114  -8.823
  687    HB3  ASN  89           HB3      ASN  89  17.411   8.517  -8.312
  688   HD21  ASN  89          HD21      ASN  89  16.786   5.111  -6.362
  689   HD22  ASN  89          HD22      ASN  89  17.833   5.219  -7.782
  690    H    ARG  90           H        ARG  90  17.946   8.449 -11.783
  691    HA   ARG  90           HA       ARG  90  16.367  10.989 -12.022
  692    HB2  ARG  90           HB2      ARG  90  18.895  10.847 -11.448
  693    HB3  ARG  90           HB3      ARG  90  19.128  10.555 -13.176
  694    HG2  ARG  90           HG2      ARG  90  18.001  12.732 -13.666
  695    HG3  ARG  90           HG3      ARG  90  17.660  12.943 -11.940
  696    HD2  ARG  90           HD2      ARG  90  20.114  12.908 -11.484
  697    HD3  ARG  90           HD3      ARG  90  20.429  12.828 -13.215
  698    HE   ARG  90           HE       ARG  90  19.525  15.136 -11.629
  699   HH11  ARG  90          HH11      ARG  90  19.839  13.979 -14.931
  700   HH12  ARG  90          HH12      ARG  90  19.759  15.589 -15.591
  701   HH21  ARG  90          HH21      ARG  90  19.427  17.146 -12.540
  702   HH22  ARG  90          HH22      ARG  90  19.532  17.334 -14.265
  703    H    ARG  91           H        ARG  91  16.330   8.094 -13.500
  704    HA   ARG  91           HA       ARG  91  15.844   9.076 -16.301
  705    HB2  ARG  91           HB2      ARG  91  15.900   6.273 -15.115
  706    HB3  ARG  91           HB3      ARG  91  15.517   6.634 -16.798
  707    HG2  ARG  91           HG2      ARG  91  17.736   7.494 -17.212
  708    HG3  ARG  91           HG3      ARG  91  18.163   7.377 -15.511
  709    HD2  ARG  91           HD2      ARG  91  18.864   5.211 -15.853
  710    HD3  ARG  91           HD3      ARG  91  17.218   4.779 -16.189
  711    HE   ARG  91           HE       ARG  91  17.655   4.711 -18.467
  712   HH11  ARG  91          HH11      ARG  91  20.393   6.352 -16.991
  713   HH12  ARG  91          HH12      ARG  91  21.349   6.236 -18.439
  714   HH21  ARG  91          HH21      ARG  91  18.924   4.631 -20.279
  715   HH22  ARG  91          HH22      ARG  91  20.529   5.296 -20.257
  716    H    GLN  92           H        GLN  92  14.191   7.159 -13.811
  717    HA   GLN  92           HA       GLN  92  11.525   8.008 -14.895
  718    HB2  GLN  92           HB2      GLN  92  10.804   5.641 -14.799
  719    HB3  GLN  92           HB3      GLN  92  11.962   6.018 -16.072
  720    HG2  GLN  92           HG2      GLN  92  13.758   4.887 -14.920
  721    HG3  GLN  92           HG3      GLN  92  12.800   4.703 -13.449
  722   HE21  GLN  92          HE21      GLN  92  10.821   1.988 -14.778
  723   HE22  GLN  92          HE22      GLN  92  10.776   3.300 -13.608
  724    H    ILE  93           H        ILE  93  13.214   6.511 -12.110
  725    HA   ILE  93           HA       ILE  93  10.789   6.344 -10.555
  726    HB   ILE  93           HB       ILE  93  13.509   6.492  -9.248
  727   HG12  ILE  93          HG12      ILE  93  12.329   4.070 -10.687
  728   HG13  ILE  93          HG13      ILE  93  13.813   4.916 -11.129
  729   HG21  ILE  93          HG21      ILE  93  10.992   4.883  -8.649
  730   HG22  ILE  93          HG22      ILE  93  12.446   4.988  -7.628
  731   HG23  ILE  93          HG23      ILE  93  11.440   6.404  -7.844
  732   HD11  ILE  93          HD11      ILE  93  13.411   3.223  -8.648
  733   HD12  ILE  93          HD12      ILE  93  14.444   2.902 -10.043
  734   HD13  ILE  93          HD13      ILE  93  14.842   4.247  -8.955
  735    H    ASN  94           H        ASN  94  12.851   9.010 -11.284
  736    HA   ASN  94           HA       ASN  94  12.355  10.761  -9.145
  737    HB2  ASN  94           HB2      ASN  94  13.715  10.896 -11.583
  738    HB3  ASN  94           HB3      ASN  94  12.385  11.992 -11.882
  739   HD21  ASN  94          HD21      ASN  94  15.302  12.934  -9.156
  740   HD22  ASN  94          HD22      ASN  94  15.127  11.284  -9.773
  741    H    GLN  95           H        GLN  95  10.307  10.130 -12.030
  742    HA   GLN  95           HA       GLN  95   8.277  12.071 -11.280
  743    HB2  GLN  95           HB2      GLN  95   8.191   9.709 -13.202
  744    HB3  GLN  95           HB3      GLN  95   6.897  10.894 -12.987
  745    HG2  GLN  95           HG2      GLN  95   8.500  12.721 -13.633
  746    HG3  GLN  95           HG3      GLN  95   9.718  11.495 -13.981
  747   HE21  GLN  95          HE21      GLN  95   8.172  10.492 -17.063
  748   HE22  GLN  95          HE22      GLN  95   9.335  10.038 -15.822
  749    H    ALA  96           H        ALA  96   8.667   8.542 -10.817
  750    HA   ALA  96           HA       ALA  96   6.130   8.051  -9.646
  751    HB1  ALA  96           HB1      ALA  96   8.768   6.592  -9.179
  752    HB2  ALA  96           HB2      ALA  96   7.141   5.960  -8.868
  753    HB3  ALA  96           HB3      ALA  96   7.645   6.305 -10.533
  754    H    LEU  97           H        LEU  97   9.259   8.880  -8.037
  755    HA   LEU  97           HA       LEU  97   8.068   8.893  -5.401
  756    HB2  LEU  97           HB2      LEU  97  10.154   9.628  -4.593
  757    HB3  LEU  97           HB3      LEU  97  10.385   8.376  -5.806
  758    HG   LEU  97           HG       LEU  97  10.821  10.448  -7.402
  759   HD11  LEU  97          HD11      LEU  97  11.653  11.560  -4.682
  760   HD12  LEU  97          HD12      LEU  97  12.038  12.268  -6.264
  761   HD13  LEU  97          HD13      LEU  97  10.370  12.233  -5.700
  762   HD21  LEU  97          HD21      LEU  97  12.458   8.687  -6.889
  763   HD22  LEU  97          HD22      LEU  97  13.235  10.276  -6.883
  764   HD23  LEU  97          HD23      LEU  97  12.847   9.475  -5.346
  765    H    LEU  98           H        LEU  98   8.470  11.400  -7.823
  766    HA   LEU  98           HA       LEU  98   7.834  13.640  -6.122
  767    HB2  LEU  98           HB2      LEU  98   8.945  13.930  -8.280
  768    HB3  LEU  98           HB3      LEU  98   7.563  13.226  -9.125
  769    HG   LEU  98           HG       LEU  98   6.147  15.136  -8.407
  770   HD11  LEU  98          HD11      LEU  98   8.762  16.262  -7.298
  771   HD12  LEU  98          HD12      LEU  98   7.256  17.182  -7.515
  772   HD13  LEU  98          HD13      LEU  98   7.309  15.852  -6.356
  773   HD21  LEU  98          HD21      LEU  98   7.311  15.164 -10.580
  774   HD22  LEU  98          HD22      LEU  98   7.180  16.796  -9.905
  775   HD23  LEU  98          HD23      LEU  98   8.729  15.924  -9.823
  776    H    SER  99           H        SER  99   5.812  11.461  -8.161
  777    HA   SER  99           HA       SER  99   3.357  12.703  -7.578
  778    HB2  SER  99           HB2      SER  99   3.972   9.822  -8.315
  779    HB3  SER  99           HB3      SER  99   2.334  10.497  -8.233
  780    HG   SER  99           HG       SER  99   3.203  10.615 -10.366
  781    H    THR 100           H        THR 100   5.276  10.777  -5.427
  782    HA   THR 100           HA       THR 100   3.113  10.019  -3.614
  783    HB   THR 100           HB       THR 100   6.088  10.203  -3.022
  784    HG1  THR 100           HG1      THR 100   6.048   7.964  -3.567
  785   HG21  THR 100          HG21      THR 100   3.850   8.570  -1.745
  786   HG22  THR 100          HG22      THR 100   5.584   8.368  -1.405
  787   HG23  THR 100          HG23      THR 100   4.781   9.877  -0.979
  788    H    GLY 101           H        GLY 101   5.045  12.925  -4.090
  789    HA2  GLY 101           HA2      GLY 101   4.926  14.987  -3.093
  790    HA3  GLY 101           HA3      GLY 101   3.563  14.435  -2.115
  791    H    ASP 102           H        ASP 102   6.389  12.503  -1.830
  792    HA   ASP 102           HA       ASP 102   7.523  13.947   0.500
  793    HB2  ASP 102           HB2      ASP 102   6.465  11.093   0.566
  794    HB3  ASP 102           HB3      ASP 102   7.632  11.720   1.723
  795    H    LEU 103           H        LEU 103   9.580  12.949   1.232
  796    HA   LEU 103           HA       LEU 103  11.336  12.496  -0.982
  797    HB2  LEU 103           HB2      LEU 103  13.053  12.722   0.485
  798    HB3  LEU 103           HB3      LEU 103  11.793  13.639   1.292
  799    HG   LEU 103           HG       LEU 103  12.676  10.796   1.992
  800   HD11  LEU 103          HD11      LEU 103  13.147  13.432   3.444
  801   HD12  LEU 103          HD12      LEU 103  13.679  11.818   3.973
  802   HD13  LEU 103          HD13      LEU 103  14.357  12.534   2.504
  803   HD21  LEU 103          HD21      LEU 103  10.318  11.148   2.636
  804   HD22  LEU 103          HD22      LEU 103  11.352  11.108   4.062
  805   HD23  LEU 103          HD23      LEU 103  10.753  12.669   3.454
  806    H    ALA 104           H        ALA 104  12.768  10.744  -1.335
  807    HA   ALA 104           HA       ALA 104  12.178   8.099  -0.188
  808    HB1  ALA 104           HB1      ALA 104  11.840   8.639  -3.173
  809    HB2  ALA 104           HB2      ALA 104  11.633   7.073  -2.358
  810    HB3  ALA 104           HB3      ALA 104  10.502   8.395  -2.027
  811    H    HIS 105           H        HIS 105  14.529   9.853  -0.162
  812    HA   HIS 105           HA       HIS 105  16.528   8.190  -1.665
  813    HB2  HIS 105           HB2      HIS 105  15.780  10.287  -2.914
  814    HB3  HIS 105           HB3      HIS 105  16.570  11.225  -1.643
  815    HD2  HIS 105           HD2      HIS 105  17.342   8.622  -4.420
  816    HE1  HIS 105           HE1      HIS 105  21.046  10.508  -3.471
  817    HE2  HIS 105           HE2      HIS 105  19.898   8.845  -5.025
  818    H    ASP 106           H        ASP 106  16.306  10.882   0.716
  819    HA   ASP 106           HA       ASP 106  18.854  10.202   1.929
  820    HB2  ASP 106           HB2      ASP 106  16.702  12.210   2.653
  821    HB3  ASP 106           HB3      ASP 106  18.256  12.078   3.480
  822    H    GLU 107           H        GLU 107  17.258   7.964   2.023
  823    HA   GLU 107           HA       GLU 107  15.848   7.648   4.556
  824    HB2  GLU 107           HB2      GLU 107  16.640   5.740   2.327
  825    HB3  GLU 107           HB3      GLU 107  15.699   5.258   3.733
  826    HG2  GLU 107           HG2      GLU 107  14.871   7.389   1.707
  827    HG3  GLU 107           HG3      GLU 107  14.306   5.728   1.724
  828    H    PHE 108           H        PHE 108  19.105   7.038   3.528
  829    HA   PHE 108           HA       PHE 108  19.836   5.829   6.150
  830    HB2  PHE 108           HB2      PHE 108  20.680   4.808   3.413
  831    HB3  PHE 108           HB3      PHE 108  21.340   4.269   4.945
  832    HD1  PHE 108           HD1      PHE 108  20.055   2.824   6.465
  833    HD2  PHE 108           HD2      PHE 108  18.387   4.155   2.722
  834    HE1  PHE 108           HE1      PHE 108  18.275   1.095   6.643
  835    HE2  PHE 108           HE2      PHE 108  16.609   2.423   2.897
  836    HZ   PHE 108           HZ       PHE 108  16.552   0.893   4.859