*HEADER    RNA BINDING PROTEIN                     24-SEP-07   2JVO              
*TITLE     SEGMENTAL ISOTOPE LABELING OF NPL3                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: NUCLEOLAR PROTEIN 3;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RRM 1 DOMAIN;                                              
*COMPND   5 SYNONYM: MITOCHONDRIAL TARGETING SUPPRESSOR 1 PROTEIN,               
*COMPND   6 NUCLEAR POLYADENYLATED RNA-BINDING PROTEIN 1;                        
*COMPND   7 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   3 ORGANISM_COMMON: BAKER'S YEAST;                                      
*SOURCE   4 GENE: NOP3, MTS1, NAB1, NPL3;                                        
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21 CODON+ RIL;                           
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET28 A+                                   
*KEYWDS    PROTEIN, NUCLEUS, PHOSPHORYLATION, RIBONUCLEOPROTEIN,                 
*KEYWDS   2 RIBOSOME BIOGENESIS, RNA-BINDING, RRNA PROCESSING, RNA               
*KEYWDS   3 BINDING PROTEIN                                                      
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    L.SKRISOVSKA, F.H-T.ALLAIN                                            
*REVDAT   1   18-DEC-07 2JVO    0                                                


# Npl3_1RRM protein distance constrains
#   63 ILE   HN     64 LEU  HN       4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 593, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   64 LEU   HN     64 LEU  QD2      4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr2= 606, 607, 608,
 &end
#
#   63 ILE   QD1    64 LEU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 587, 588, 589,
 &end
#
#   64 LEU   HN     64 LEU  HB2      4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 597, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#   97 VAL   HN     97 VAL  HB       4.06
 &rst
  ixpk= 0, nxpk= 0, iat=1083,1087, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#   96 GLU   HB2    97 VAL  HN       4.42
 &rst
  ixpk= 0, nxpk= 0, iat=1072,1083, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#   97 VAL   HN     97 VAL  QG1      4.70
 &rst
  ixpk= 0, nxpk= 0, iat=1083,  -1, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr2=1089,1090,1091,
 &end
#
#   62 LYS   HN     69 PHE  HB3      5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 668, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#   62 LYS   HN     69 PHE  HB2      4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 667, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#   62 LYS   HN     68 ALA  HA       5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 655, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#   62 LYS   HN     70 VAL  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 683, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 LYS   HN     63 ILE  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 587, 588, 589,
 &end
#
#   62 LYS   HN     63 ILE  HA       5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 576, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#   62 LYS   HN     62 LYS  HE3      5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 566, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#   62 LYS   HN     69 PHE  HN       4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 663, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#   62 LYS   HN     70 VAL  HA       4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 685, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#   62 LYS   HN     62 LYS  HB3      3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 557, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#   62 LYS   HN     62 LYS  HB2      3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 556, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#   62 LYS   HN     62 LYS  HG2      4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 559, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,  &end
#
#   61 VAL   QG2    62 LYS  HN       4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 546, 547, 548,
 &end
#
#   62 LYS   HN     70 VAL  QG2      5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 693, 694, 695,
 &end
#
#   62 LYS   HN     70 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 552,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 689, 690, 691,
 &end
#
#   34 LEU   HN     35 PHE  HN       4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 101, 120, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   34 LEU   HN     70 VAL  HN       4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 101, 683, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   34 LEU   HN     34 LEU  HG       4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 101, 108, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#   33 ARG   HB2    34 LEU  HN       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  81, 101, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#   35 PHE   HB3    36 VAL  HN       4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 140, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#   35 PHE   HD     36 VAL  HN       4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 128, 136,
 &end
#
#   35 PHE   HA     36 VAL  HN       3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 140, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#   35 PHE   HB2    36 VAL  HN       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 140, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   36 VAL   HN     36 VAL  HB       4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 144, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 VAL   HN     36 VAL  QG1      4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 146, 147, 148,
 &end
#
#   36 VAL   HN     68 ALA  HN       4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 653, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   36 VAL   HN     68 ALA  QB       5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2= 657, 658, 659,
 &end
#
#   36 VAL   HN     69 PHE  HA       4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 665, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#   33 ARG   HN     72 PHE  HN       5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  77, 714, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#   72 PHE   HN     73 GLU  HN       5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 734, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#   72 PHE   HN     72 PHE  HD       4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr2= 722, 730,
 &end
#
#   71 GLU   HB3    72 PHE  HN       4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 704, 714, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   59 LYS   QB     72 PHE  HN       5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 503, 504,
 &end
#
#   34 LEU   HN     72 PHE  HN       5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 101, 714, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#   34 LEU   QD2    72 PHE  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 114, 115, 116,
 &end
#
#   75 ALA   HN     77 SER  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 764, 789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 ALA   HN     76 GLU  HG2      4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 764, 781, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   75 ALA   HN     76 GLU  HB2      5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 764, 778, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
#   33 ARG   HA     71 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  79, 699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 VAL   HN     71 GLU  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 683, 699, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#   60 GLU   HN     71 GLU  HN       4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 699, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
#   61 VAL   HA     71 GLU  HN       4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 699, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#   71 GLU   HN     71 GLU  QG       4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 699,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 706, 707,
 &end
#
#   71 GLU   HN     71 GLU  HB3      3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 699, 704, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#   61 VAL   QG2    71 GLU  HN       5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 546, 547, 548,
 &end
#
#   61 VAL   QG1    71 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 542, 543, 544,
 &end
#
#   70 VAL   QG2    71 GLU  HN       4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 693, 694, 695,
 &end
#
#   59 LYS   QB     71 GLU  HN       4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 503, 504,
 &end
#
#   62 LYS   HB3    63 ILE  HN       4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 574, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#   63 ILE   HN     63 ILE  HB       3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 578, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
#   63 ILE   HN     63 ILE  QG1      3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 584, 585,
 &end
#
#   63 ILE   HN     64 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 606, 607, 608,
 &end
#
#   61 VAL   HA     63 ILE  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 574, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 LYS   HE3    63 ILE  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 566, 574, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90 PHE   HN     95 LEU  HN       4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 974,1049, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   90 PHE   HN     90 PHE  HD       5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 974,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 982, 990,
 &end
#
#   90 PHE   HN     90 PHE  HB3      4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 974, 979, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 PHE   HN     90 PHE  HB2      4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 974, 978, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#   90 PHE   HN     95 LEU  QD1      5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 974,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2=1058,1059,1060,
 &end
#
#   89 SER   HB2    90 PHE  HN       4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 967, 974, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   31 ASN   HA     33 ARG  HN       5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  77, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#   33 ARG   HN     33 ARG  QD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  87,  88,
 &end
#
#   32 THR   QG2    33 ARG  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  77, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  69,  70,  71,
 &end
#
#   33 ARG   HN     99 TYR  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1123,1132,
 &end
#
#   30 SER   HB2    33 ARG  HN       5.23
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  77, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#   96 GLU   HN     97 VAL  HN       5.14
 &rst
  ixpk= 0, nxpk= 0, iat=1068,1083, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,  &end
#
#   35 PHE   HN     96 GLU  HN       4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 120,1068, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   38 PRO   QD     96 GLU  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,
 igr1= 181, 182,
 &end
#
#   96 GLU   HN     96 GLU  HB2      3.54
 &rst
  ixpk= 0, nxpk= 0, iat=1068,1072, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#   95 LEU   HB2    96 GLU  HN       4.25
 &rst
  ixpk= 0, nxpk= 0, iat=1053,1068, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#   33 ARG   HN     34 LEU  HN       5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  77, 101, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#   35 PHE   HN     35 PHE  HD       5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 120,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 128, 136,
 &end
#
#   35 PHE   HN    100 SER  HN       4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 120,1136, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#   34 LEU   HA     35 PHE  HN       3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 103, 120, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#   35 PHE   HN     35 PHE  HB3      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 125, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#   34 LEU   HB2    35 PHE  HN       4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 120, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#   35 PHE   HN     36 VAL  QG1      4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 120,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 146, 147, 148,
 &end
#
#   58 MET   HN     59 LYS  HN       5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 482, 499, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#   57 PRO   HA     58 MET  HN       3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 478, 482, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#   58 MET   HN     58 MET  HB3      4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 482, 487, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#   45 GLU   HN     63 ILE  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 587, 588, 589,
 &end
#
#   44 GLN   HN     45 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 292, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 LYS   HN     72 PHE  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 719, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 LYS   HN     72 PHE  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 714, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#   59 LYS   HN     72 PHE  HD       5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 499,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2= 722, 730,
 &end
#
#   58 MET   HB3    59 LYS  HN       5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 487, 499, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   58 MET   HB2    59 LYS  HN       4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 499, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#   59 LYS   HN     59 LYS  QB       3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 499,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 503, 504,
 &end
#
#   43 VAL   HN     44 GLN  HN       4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 275, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   44 GLN   HN     48 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 342, 343, 344,
 &end
#
#   43 VAL   QG1    44 GLN  HN       4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr1= 265, 266, 267,
 &end
#
#   44 GLN   HN     47 GLU  HB3      3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 323, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#   61 VAL   HN     62 LYS  HN       5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 552, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#   60 GLU   HG3    61 VAL  HN       4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 529, 536, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   61 VAL   HN     61 VAL  HB       3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 536, 540, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#   90 PHE   HB2    95 LEU  HN       5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 978,1049, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#   95 LEU   HN     96 GLU  HN       4.71
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1068, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#   88 LYS   HN     95 LEU  HN       5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 941,1049, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   94 PRO   HA     95 LEU  HN       3.20
 &rst
  ixpk= 0, nxpk= 0, iat=1045,1049, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   94 PRO   QD     95 LEU  HN       4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1049, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,
 igr1=1036,1037,
 &end
#
#   87 GLY   HA2    95 LEU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 936,1049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   95 LEU   HN     95 LEU  HB3      3.37
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1054, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#   95 LEU   HN     97 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1093,1094,1095,
 &end
#
#   95 LEU   HN     95 LEU  HB2      3.92
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1053, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   87 GLY   HN     88 LYS  HN       3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 934, 941, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#   86 HIS   HN     88 LYS  HN       5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 941, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#   85 VAL   HA     88 LYS  HN       4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 941, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#   88 LYS   HN     88 LYS  HB3      3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 941, 946, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#   88 LYS   HN     88 LYS  HB2      3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 941, 945, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#   88 LYS   HN     88 LYS  HG3      4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 941, 949, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#   88 LYS   HN     88 LYS  HG2      4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 941, 948, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
#   85 VAL   QG2    88 LYS  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 941, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 911, 912, 913,
 &end
#
#   37 ARG   HN     37 ARG  HD2      5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 166, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#   37 ARG   HN     96 GLU  HN       4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 156,1068, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   37 ARG   HN     38 PRO  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 ARG   HN     37 ARG  HG3      4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 164, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#   36 VAL   QG1    37 ARG  HN       4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 146, 147, 148,
 &end
#
#   35 PHE   HD     37 ARG  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 128, 136,
 &end
#
#   37 ARG   HN     37 ARG  HG2      4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 163, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   29 LEU   HN     29 LEU  QD1      5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2=  28,  29,  30,
 &end
#
#   29 LEU   HN     29 LEU  HB3      3.97
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  24, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   46 SER   QB     47 GLU  HN       4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 311, 312,
 &end
#
#   47 GLU   HN     49 ASN  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 356, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 GLU   HN     48 LEU  HB3      5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 338, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#   43 VAL   QG2    47 GLU  HN       5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 269, 270, 271,
 &end
#
#   44 GLN   HN     47 GLU  HN       4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 318, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#   47 GLU   HN     48 LEU  HN       3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 333, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
#   45 GLU   HA     47 GLU  HN       4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 318, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#   47 GLU   HN     47 GLU  HB3      3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 323, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
#   47 GLU   HN     47 GLU  HB2      3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 322, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#   47 GLU   HN     48 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 318,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 346, 347, 348,
 &end
#
#   41 LEU   HN     42 ASP  HN       5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 247, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   41 LEU   HN     41 LEU  HG       4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 235, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   41 LEU   HN     41 LEU  QD2      5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 228,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2= 241, 242, 243,
 &end
#
#   41 LEU   HN     41 LEU  QD1      5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 228,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr2= 237, 238, 239,
 &end
#
#   29 LEU   HN     29 LEU  QD2      5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2=  32,  33,  34,
 &end
#
#   76 GLU   HB2    78 ALA  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 778, 800, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   78 ALA   HN     82 ILE  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 800,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 865, 866, 867,
 &end
#
#   78 ALA   HN     80 LYS  HN       4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 820, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#   77 SER   HB3    78 ALA  HN       3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 794, 800, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
#   77 SER   HB2    78 ALA  HN       4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 793, 800, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#   32 THR   QG2    78 ALA  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  69,  70,  71,
 &end
#
#   32 THR   HA     78 ALA  HN       4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  65, 800, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#   80 LYS   QE     81 ALA  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 833, 834,
 &end
#
#   80 LYS   QB     81 ALA  HN       3.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,
 igr1= 824, 825,
 &end
#
#   80 LYS   QG     81 ALA  HN       4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 842, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 827, 828,
 &end
#
#   81 ALA   HN     82 ILE  QD1      4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 865, 866, 867,
 &end
#
#   42 ASP   HN     43 VAL  HN       3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 259, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
#   42 ASP   HB3    43 VAL  HN       4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 259, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#   42 ASP   HB2    43 VAL  HN       4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 259, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#   43 VAL   HN     43 VAL  HB       3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 263, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#   43 VAL   HN     43 VAL  QG2      4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr2= 269, 270, 271,
 &end
#
#   43 VAL   HN     43 VAL  QG1      3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 259,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 265, 266, 267,
 &end
#
#   69 PHE   HN     70 VAL  HN       5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 683, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#   67 PHE   HN     68 ALA  HN       4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 653, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   39 PHE   HE     68 ALA  HN       4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 204, 208,
 &end
#
#   37 ARG   HA     68 ALA  HN       4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 653, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#   67 PHE   HB3    68 ALA  HN       3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 638, 653, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#   67 PHE   HB2    68 ALA  HN       3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 637, 653, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#   36 VAL   HB     68 ALA  HN       5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 653, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#   68 ALA   HN     68 ALA  QB       3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2= 657, 658, 659,
 &end
#
#   36 VAL   QG1    68 ALA  HN       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 146, 147, 148,
 &end
#
#   48 LEU   QD2    68 ALA  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 653, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 346, 347, 348,
 &end
#
#   64 LEU   HN     68 ALA  HN       4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 653, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   37 ARG   HB2    68 ALA  HN       4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 653, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#   35 PHE   HN     70 VAL  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 683, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 ALA   HA     70 VAL  HN       5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 683, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   36 VAL   QG1    70 VAL  HN       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 146, 147, 148,
 &end
#
#   70 VAL   HN     70 VAL  QG2      4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 693, 694, 695,
 &end
#
#   69 PHE   HB3    70 VAL  HN       4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 668, 683, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,  &end
#
#   69 PHE   HB2    70 VAL  HN       4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 667, 683, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   48 LEU   HN     50 GLU  HN       4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 366, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   48 LEU   HN     49 ASN  HA       5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 354, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#   48 LEU   HN     49 ASN  HB2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 356, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   47 GLU   HB3    48 LEU  HN       4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 333, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#   47 GLU   HB2    48 LEU  HN       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 333, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 LEU   HN     48 LEU  HB3      3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 338, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   48 LEU   HN     48 LEU  HB2      3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 337, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#   43 VAL   QG2    48 LEU  HN       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 269, 270, 271,
 &end
#
#   49 ASN   HN     50 GLU  HN       3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 366, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   47 GLU   HN     49 ASN  HN       4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 352, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#   48 LEU   HN     49 ASN  HN       3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 352, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#   49 ASN   HN     49 ASN  HND1     5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 361, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#   49 ASN   HN     49 ASN  HB2      3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 356, r1= 1.30, r2= 1.80, r3= 3.16, r4= 3.66,  &end
#
#   47 GLU   HB3    49 ASN  HN       5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 352, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#   45 GLU   QG     49 ASN  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 299, 300,
 &end
#
#   48 LEU   HB3    49 ASN  HN       3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 352, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   48 LEU   HB2    49 ASN  HN       4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 352, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#   48 LEU   HG     49 ASN  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 352, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 VAL   QG2    49 ASN  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 269, 270, 271,
 &end
#
#   48 LEU   QD1    49 ASN  HN       5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 342, 343, 344,
 &end
#
#   48 LEU   QD2    49 ASN  HN       5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 352, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 346, 347, 348,
 &end
#
#   33 ARG   HB2    99 TYR  HN       5.50
 (#99 TYR   HN    100 SER  HB3      5.50)
 &rst
  ixpk= 0, nxpk= 0, iat=  81,1115, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 LEU   QD1    99 TYR  HN       4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1=  28,  29,  30,
 &end
#
#   34 LEU   QD1    99 TYR  HN       5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1= 110, 111, 112,
 &end
#
#   99 TYR   HN     99 TYR  HD       3.89
 &rst
  ixpk= 0, nxpk= 0, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1123,1132,
 &end
#
#   99 TYR   HN     99 TYR  HE       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=1115,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2=1125,1130,
 &end
#
#   99 TYR   HN     99 TYR  HB3      3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1120, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#   99 TYR   HN     99 TYR  HB2      3.61
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1119, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#   50 GLU   HN     51 ILE  HG13     5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 392, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#   50 GLU   HN     51 ILE  HN       3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 381, r1= 1.30, r2= 1.80, r3= 3.58, r4= 4.08,  &end
#
#   47 GLU   HA     50 GLU  HN       3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 366, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#   49 ASN   HB2    50 GLU  HN       3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 366, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#   50 GLU   HN     50 GLU  HG3      3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 374, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   50 GLU   HN     51 ILE  HB       4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 385, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#   50 GLU   HN     51 ILE  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 394, 395, 396,
 &end
#
#   31 ASN   HN     33 ARG  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  77, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   80 LYS   HN     81 ALA  HA       5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 820, 844, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#   80 LYS   HN     80 LYS  QE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 833, 834,
 &end
#
#   76 GLU   HB3    80 LYS  HN       4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 820, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#   80 LYS   HN     80 LYS  QD       4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 830, 831,
 &end
#
#   80 LYS   HN     80 LYS  QG       3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 827, 828,
 &end
#
#   80 LYS   HN     81 ALA  QB       5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr2= 846, 847, 848,
 &end
#
#   80 LYS   HN     82 ILE  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 865, 866, 867,
 &end
#
#   85 VAL   HN     86 HIS  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 919, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   85 VAL   HN     86 HIS  HB3      4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 922, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#   55 PHE   HZ     85 VAL  HN       4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 901, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   85 VAL   HN     86 HIS  HB2      4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 921, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   84 GLU   HB3    85 VAL  HN       4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 891, 901, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#   85 VAL   HN     85 VAL  HB       3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 905, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
#   86 HIS   HN     97 VAL  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 917,1083, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   85 VAL   HN     86 HIS  HN       3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 901, 917, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#   84 GLU   HN     86 HIS  HN       5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 917, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   86 HIS   HN     86 HIS  HD2      5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 930, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#   86 HIS   HN     86 HIS  HB2      3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 921, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
#   86 HIS   HN     97 VAL  HB       4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 917,1087, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   90 PHE   HN     93 GLN  HN       3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 974,1018, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   92 ASN   HB3    93 GLN  HN       4.72
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1018, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
#   93 GLN   HN     93 GLN  HG2      4.04
 &rst
  ixpk= 0, nxpk= 0, iat=1018,1025, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#   90 PHE   HA     93 GLN  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 976,1018, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92 ASN   HB2    93 GLN  HN       4.68
 &rst
  ixpk= 0, nxpk= 0, iat=1008,1018, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,  &end
#
#   59 LYS   HN     73 GLU  HN       4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 734, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   72 PHE   HB3    73 GLU  HN       4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 719, 734, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   73 GLU   HN     77 SER  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 794, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 LYS   QB     73 GLU  HN       5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 503, 504,
 &end
#
#   73 GLU   HN     74 GLU  HN       3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 749, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#   72 PHE   HD     73 GLU  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 722, 730,
 &end
#
#   72 PHE   HB2    73 GLU  HN       4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 734, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,  &end
#
#   57 PRO   QB     73 GLU  HN       5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 734, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1= 475, 476,
 &end
#
#   73 GLU   HN     73 GLU  HG3      3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 742, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#   73 GLU   HN     73 GLU  HG2      4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 741, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#   73 GLU   HN     73 GLU  HB2      3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 738, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   79 ALA   HN     81 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 846, 847, 848,
 &end
#
#   34 LEU   QD1    79 ALA  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 110, 111, 112,
 &end
#
#   79 ALA   HN     80 LYS  HN       3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 810, 820, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   77 SER   HN     79 ALA  HN       4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 810, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   78 ALA   HN     79 ALA  HN       3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 810, r1= 1.30, r2= 1.80, r3= 3.55, r4= 4.05,  &end
#
#   79 ALA   HN     80 LYS  QB       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 824, 825,
 &end
#
#   78 ALA   QB     79 ALA  HN       3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 804, 805, 806,
 &end
#
#   64 LEU   HN     65 ASN  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 612, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   65 ASN   HN     67 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 612,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 641, 649,
 &end
#
#   64 LEU   HB3    65 ASN  HN       3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 612, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#   64 LEU   QD1    65 ASN  HN       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 602, 603, 604,
 &end
#
#   79 ALA   HN     82 ILE  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 865, 866, 867,
 &end
#
#   82 ILE   HN     85 VAL  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 901, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   80 LYS   HA     82 ILE  HN       4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 852, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82 ILE   HN     83 GLU  HN       3.62
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 871, r1= 1.30, r2= 1.80, r3= 3.62, r4= 4.12,  &end
#
#   82 ILE   HN     82 ILE  HB       3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 856, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
#   81 ALA   QB     82 ILE  HN       4.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 846, 847, 848,
 &end
#
#   82 ILE   HN     82 ILE  HG12     4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 862, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#   87 GLY   HN     97 VAL  HN       4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 934,1083, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#   86 HIS   HN     87 GLY  HN       4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 934, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#   86 HIS   HA     87 GLY  HN       3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 934, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
#   87 GLY   HN     97 VAL  HB       4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 934,1087, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#   87 GLY   HN     88 LYS  HB3      5.20
 &rst
  ixpk= 0, nxpk= 0, iat= 934, 946, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
#   87 GLY   HN     95 LEU  HB3      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 934,1054, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#   87 GLY   HN     95 LEU  HB2      4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 934,1053, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#   82 ILE   HN     83 GLU  QB       5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2= 875, 876,
 &end
#
#   82 ILE   QG2    83 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 871, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 858, 859, 860,
 &end
#
#   89 SER   HN     90 PHE  HN       5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 963, 974, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,  &end
#
#   88 LYS   HG3    89 SER  HN       4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 949, 963, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#   88 LYS   HG2    89 SER  HN       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 948, 963, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   89 SER   HN     90 PHE  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 963, 976, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   88 LYS   HB3    89 SER  HN       4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 946, 963, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#   88 LYS   HB2    89 SER  HN       4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 945, 963, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
#   83 GLU   HN     84 GLU  HN       3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 886, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
#   83 GLU   HN     83 GLU  HG3      3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 879, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#   83 GLU   HN     83 GLU  HG2      4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 878, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 GLU   HN     83 GLU  QB       3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,
 igr2= 875, 876,
 &end
#
#   83 GLU   HN     84 GLU  HB2      5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 890, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#   82 ILE   HB     83 GLU  HN       3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 856, 871, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   83 GLU   HN     85 VAL  HN       4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 871, 901, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#   97 VAL   HN     98 VAL  HN       5.02
 &rst
  ixpk= 0, nxpk= 0, iat=1083,1099, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   34 LEU   HA     98 VAL  HN       4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 103,1099, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#   97 VAL   HA     98 VAL  HN       3.10
 &rst
  ixpk= 0, nxpk= 0, iat=1085,1099, r1= 1.30, r2= 1.80, r3= 3.10, r4= 3.60,  &end
#
#   35 PHE   HB3    98 VAL  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 125,1099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   97 VAL   HB     98 VAL  HN       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=1087,1099, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#   98 VAL   HN     98 VAL  QG1      3.58
 &rst
  ixpk= 0, nxpk= 0, iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2=1105,1106,1107,
 &end
#
#   97 VAL   QG1    98 VAL  HN       3.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1089,1090,1091,
 &end
#
#   35 PHE   HN     98 VAL  HN       4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 120,1099, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,  &end
#
#   35 PHE   HB2    98 VAL  HN       5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 124,1099, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,  &end
#
#   66 GLY   HN     67 PHE  HN       3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 626, 633, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,  &end
#
#   64 LEU   HN     67 PHE  HN       4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 633, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,  &end
#
#   67 PHE   HN     67 PHE  HD       4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 633,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 641, 649,
 &end
#
#   64 LEU   QD2    67 PHE  HN       4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 633, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 606, 607, 608,
 &end
#
#   63 ILE   QG2    67 PHE  HN       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 633, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr1= 580, 581, 582,
 &end
#
#   51 ILE   HN     52 PHE  HA       5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 402, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,  &end
#
#   98 VAL   QG1   100 SER  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1105,1106,1107,
 &end
#
#   29 LEU   QD1   100 SER  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  28,  29,  30,
 &end
#
#   63 ILE   QG2    69 PHE  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 580, 581, 582,
 &end
#
#   51 ILE   HN     52 PHE  HD       5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 408, 416,
 &end
#
#   47 GLU   HA     51 ILE  HN       5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 381, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#   51 ILE   HN     52 PHE  HB2      4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 404, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   50 GLU   HB2    51 ILE  HN       4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 381, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#   51 ILE   HN     51 ILE  HG13     3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 392, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   51 ILE   HN     51 ILE  HB       3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 385, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
#   49 ASN   HN     51 ILE  HN       5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 381, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#   51 ILE   HN     51 ILE  HG12     4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 391, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   99 TYR   HN    100 SER  HN       4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1136, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   35 PHE   HB3   100 SER  HN       5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 125,1136, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   99 TYR   HB2   100 SER  HN       4.61
 &rst
  ixpk= 0, nxpk= 0, iat=1119,1136, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#   33 ARG   HB2   100 SER  HN       5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  81,1136, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#   68 ALA   HN     69 PHE  HN       5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 663, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#   64 LEU   HN     69 PHE  HN       5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 663, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ILE   HA     69 PHE  HN       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 663, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   69 PHE   HN     69 PHE  HB2      4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 667, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
#   62 LYS   HB3    69 PHE  HN       4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 663, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#   61 VAL   QG1    69 PHE  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 542, 543, 544,
 &end
#
#   29 LEU   HB2    30 SER  HN       4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  38, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#   29 LEU   QD1    30 SER  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  28,  29,  30,
 &end
#
#   29 LEU   QD2    30 SER  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  32,  33,  34,
 &end
#
#   60 GLU   HN     70 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 693, 694, 695,
 &end
#
#   41 LEU   QD2    42 ASP  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 247, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 241, 242, 243,
 &end
#
#   41 LEU   QD1    42 ASP  HN       5.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 247, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 237, 238, 239,
 &end
#
#   42 ASP   HN     42 ASP  HB3      4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 252, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   42 ASP   HN     42 ASP  HB2      3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 251, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   41 LEU   HB3    42 ASP  HN       4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 233, 247, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   42 ASP   HN     43 VAL  QG1      5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr2= 265, 266, 267,
 &end
#
#   60 GLU   HN     61 VAL  HN       4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 536, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#   60 GLU   HN     61 VAL  QG2      5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 546, 547, 548,
 &end
#
#   59 LYS   HN     60 GLU  HN       3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 521, r1= 1.30, r2= 1.80, r3= 3.32, r4= 3.82,  &end
#
#   60 GLU   HN     71 GLU  HB3      3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 704, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   58 MET   HB2    60 GLU  HN       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 521, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   59 LYS   QB     60 GLU  HN       3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr1= 503, 504,
 &end
#
#   60 GLU   HN     70 VAL  QG1      5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2= 689, 690, 691,
 &end
#
#   59 LYS   QE     60 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 512, 513,
 &end
#
#   74 GLU   HN     77 SER  HB3      4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 794, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#   72 PHE   HD     74 GLU  HN       4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 722, 730,
 &end
#
#   74 GLU   HN     78 ALA  HN       5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 800, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#   72 PHE   HB2    74 GLU  HN       4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 749, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#   72 PHE   HA     74 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 716, 749, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 PHE   HB3    74 GLU  HN       4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 719, 749, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#   32 THR   QG2    74 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  69,  70,  71,
 &end
#
#   84 GLU   HN     85 VAL  HN       3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 901, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#   82 ILE   HA     84 GLU  HN       5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 854, 886, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#   84 GLU   HN     86 HIS  HB2      5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 921, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#   83 GLU   QB     84 GLU  HN       3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 875, 876,
 &end
#
#   84 GLU   HN     84 GLU  HB2      3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 890, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   84 GLU   HN     85 VAL  QG1      4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 886,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2= 907, 908, 909,
 &end
#
#   84 GLU   HN     84 GLU  HG2      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 893, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   81 ALA   QB     84 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 886, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 846, 847, 848,
 &end
#
#   77 SER   HN     80 LYS  QE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 833, 834,
 &end
#
#   77 SER   HN     78 ALA  HN       3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 800, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#   77 SER   HN     77 SER  HB3      3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 794, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   76 GLU   HB2    77 SER  HN       3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 778, 789, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#   77 SER   HN     78 ALA  QB       4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2= 804, 805, 806,
 &end
#
#   76 GLU   HN     77 SER  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 774, 789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   74 GLU   HN     77 SER  HN       4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 789, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#   42 ASP   HA     44 GLN  HNE2     4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 288, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   43 VAL   QG1    44 GLN  HNE2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 265, 266, 267,
 &end
#
#   72 PHE   HB3    77 SER  HN       5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 719, 789, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#   72 PHE   HB2    77 SER  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 GLU   HB3    77 SER  HN       4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 779, 789, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   32 THR   QG2    77 SER  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  69,  70,  71,
 &end
#
#   42 ASP   HA     44 GLN  HNE1     5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 287, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   92 ASN   HND1   93 GLN  HNE2     5.11
 &rst
  ixpk= 0, nxpk= 0, iat=1013,1031, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#   52 PHE   HN     53 GLY  HN       3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 420, r1= 1.30, r2= 1.80, r3= 3.69, r4= 4.19,  &end
#
#   50 GLU   HN     52 PHE  HN       4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 400, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#   52 PHE   HN     52 PHE  HD       3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 408, 416,
 &end
#
#   51 ILE   HN     52 PHE  HN       3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 400, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
#   49 ASN   HA     52 PHE  HN       4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 400, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#   52 PHE   HN     52 PHE  HB3      3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 405, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#   52 PHE   HN     52 PHE  HB2      3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 404, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#   51 ILE   HG13   52 PHE  HN       4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 400, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   51 ILE   HB     52 PHE  HN       3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 400, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#   51 ILE   QG2    52 PHE  HN       4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 387, 388, 389,
 &end
#
#   48 LEU   HA     52 PHE  HN       4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 400, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#   38 PRO   HA     92 ASN  HND2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 190,1014, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 PHE   HN     39 PHE  HD       5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 202, 210,
 &end
#
#   38 PRO   HA     39 PHE  HN       3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 194, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 ARG   HA     39 PHE  HN       3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 194, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#   39 PHE   HN     39 PHE  HB2      3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 198, r1= 1.30, r2= 1.80, r3= 3.97, r4= 4.47,  &end
#
#   38 PRO   QD     39 PHE  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 181, 182,
 &end
#
#   38 PRO   HA     92 ASN  HND1     5.15
 &rst
  ixpk= 0, nxpk= 0, iat= 190,1013, r1= 1.30, r2= 1.80, r3= 5.15, r4= 5.65,  &end
#
#   55 PHE   HN     55 PHE  HD       4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,
 igr2= 449, 457,
 &end
#
#   52 PHE   HA     55 PHE  HN       4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 441, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   55 PHE   HN     56 GLY  QA       4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 463, 464,
 &end
#
#   54 PRO   QG     55 PHE  HN       4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 431, 432,
 &end
#
#   55 PHE   HN     80 LYS  QD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 830, 831,
 &end
#
#   92 ASN   HND2   93 GLN  HNE2     4.74
 &rst
  ixpk= 0, nxpk= 0, iat=1014,1031, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   38 PRO   HA     93 GLN  HNE2     5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 190,1031, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#   64 LEU   HA     65 ASN  HND2     4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 622, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#   64 LEU   HA     65 ASN  HND1     4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 621, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#   93 GLN   HB2    93 GLN  HNE1     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1022,1030, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92 ASN   HND2   93 GLN  HNE1     3.91
 &rst
  ixpk= 0, nxpk= 0, iat=1014,1030, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,  &end
#
#   38 PRO   HA     93 GLN  HNE1     5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 190,1030, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#   93 GLN   HB2    93 GLN  HNE2     5.33
 &rst
  ixpk= 0, nxpk= 0, iat=1022,1031, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#   43 VAL   QG1    66 GLY  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 626, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 265, 266, 267,
 &end
#
#   65 ASN   HN     66 GLY  HN       5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 612, 626, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
#   64 LEU   HA     66 GLY  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 626, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   65 ASN   HB3    66 GLY  HN       4.52
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 626, r1= 1.30, r2= 1.80, r3= 4.52, r4= 5.02,  &end
#
#   41 LEU   HB3    66 GLY  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 233, 626, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 ILE   QG2    66 GLY  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 626, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 580, 581, 582,
 &end
#
#   31 ASN   HND2   75 ALA  QB       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 768, 769, 770,
 &end
#
#   31 ASN   HND1   75 ALA  QB       5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2= 768, 769, 770,
 &end
#
#   31 ASN   HA     31 ASN  HND1     5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  58, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#   52 PHE   HD     53 GLY  HN       4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 408, 416,
 &end
#
#   51 ILE   QG2    53 GLY  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 387, 388, 389,
 &end
#
#   51 ILE   HN     53 GLY  HN       4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 381, 420, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#   53 GLY   HN     54 PRO  HD3      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 429, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   53 GLY   HN     54 PRO  HD2      4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 428, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   52 PHE   HB2    53 GLY  HN       4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 420, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#   53 GLY   HN     54 PRO  QG       4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 431, 432,
 &end
#
#   50 GLU   HA     53 GLY  HN       4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 420, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#   51 ILE   HB     53 GLY  HN       5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 420, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,  &end
#
#   49 ASN   HA     49 ASN  HND2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 362, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 ASN   HND2   58 MET  QE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 493, 494, 495,
 &end
#
#   55 PHE   HB3    56 GLY  HN       4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 461, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#   55 PHE   HN     56 GLY  HN       3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 461, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#   55 PHE   HD     56 GLY  HN       4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 461, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr1= 449, 457,
 &end
#
#   56 GLY   HN     57 PRO  HD2      4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 461, 469, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#   55 PHE   HB2    56 GLY  HN       4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 461, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#   49 ASN   HN     49 ASN  HND2     5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 362, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#   46 SER   QB     49 ASN  HND2     5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 311, 312,
 &end
#
#   49 ASN   HB2    49 ASN  HND2     3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 356, 362, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
#   45 GLU   QG     49 ASN  HND2     4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 299, 300,
 &end
#
#   45 GLU   HB2    49 ASN  HND2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 362, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 GLU   QG     49 ASN  HND1     4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 299, 300,
 &end
#
#   49 ASN   HND1   61 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 546, 547, 548,
 &end
#
#   90 PHE   HN     92 ASN  HN       5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 974,1004, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#   92 ASN   HN     93 GLN  HN       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=1004,1018, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   38 PRO   HA     92 ASN  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 190,1004, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90 PHE   HA     92 ASN  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 976,1004, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   92 ASN   HN     93 GLN  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1004,1022, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91 ALA   QB     92 ASN  HN       4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1004, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 998, 999,1000,
 &end
#
#   31 ASN   HB3    32 THR  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  63, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 THR   HN     33 ARG  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  81, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 THR   HN     33 ARG  HN       3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  77, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#   32 THR   HN     99 TYR  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1123,1132,
 &end
#
#   30 SER   HA     32 THR  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  63, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   31 ASN   HB2    32 THR  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  53,  63, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 THR   HB     71 GLU  HA       4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  67, 701, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#   32 THR   HB     71 GLU  QG       4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  67,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2= 706, 707,
 &end
#
#   32 THR   HB     72 PHE  HN       4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  67, 714, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#   32 THR   HB     33 ARG  HA       5.23
 &rst
  ixpk= 0, nxpk= 0, iat=  67,  79, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#   32 THR   HB     72 PHE  HB2      4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  67, 718, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#   32 THR   HB     78 ALA  QB       4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  67,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2= 804, 805, 806,
 &end
#
#   82 ILE   HA     85 VAL  HN       4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 854, 901, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   82 ILE   HA     86 HIS  HN       4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 854, 917, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#   82 ILE   HA     97 VAL  HB       3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 854,1087, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   82 ILE   HA     82 ILE  HG13     3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 854, 863, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   82 ILE   HA     97 VAL  QG2      4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2=1093,1094,1095,
 &end
#
#   82 ILE   HA     82 ILE  HG12     3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 854, 862, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#   34 LEU   HN    100 SER  HB2      5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 101,1140, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,  &end
#
#   35 PHE   HN    100 SER  HB3      4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 120,1141, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,  &end
#
#  100 SER   HN    100 SER  HB3      3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1141, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   69 PHE   HD    100 SER  HB3      4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 671, 679,
 &end
#
#   35 PHE   HD    100 SER  HB3      5.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1= 128, 136,
 &end
#
#   35 PHE   HB3   100 SER  HB3      3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 125,1141, r1= 1.30, r2= 1.80, r3= 3.90, r4= 4.40,  &end
#
#   35 PHE   HB2   100 SER  HB3      4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 124,1141, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#   34 LEU   HN    100 SER  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 101,1141, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 ARG   QG    100 SER  HB3      5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=  84,  85,
 &end
#
#   98 VAL   QG1   100 SER  HB3      5.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1=1105,1106,1107,
 &end
#
#   35 PHE   HN    100 SER  HB2      4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 120,1140, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#  100 SER   HN    100 SER  HB2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat=1136,1140, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,  &end
#
#   69 PHE   HD    100 SER  HB2      4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr1= 671, 679,
 &end
#
#   35 PHE   HD    100 SER  HB2      5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 128, 136,
 &end
#
#   34 LEU   HA    100 SER  HB2      4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 103,1140, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#   35 PHE   HB3   100 SER  HB2      4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 125,1140, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   35 PHE   HB2   100 SER  HB2      5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 124,1140, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
#   33 ARG   HB3   100 SER  HB2      4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  82,1140, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   33 ARG   QG    100 SER  HB2      4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1=  84,  85,
 &end
#
#   33 ARG   HB2   100 SER  HB2      4.22
 &rst
  ixpk= 0, nxpk= 0, iat=  81,1140, r1= 1.30, r2= 1.80, r3= 4.22, r4= 4.72,  &end
#
#   34 LEU   QD1   100 SER  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 110, 111, 112,
 &end
#
#   54 PRO   HA     56 GLY  HN       4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 461, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#   89 SER   HB2    93 GLN  HA       5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 967,1020, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   89 SER   HB2    93 GLN  HN       4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 967,1018, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#   30 SER   HB2    31 ASN  HN       5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  49, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#   51 ILE   HA     53 GLY  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 420, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 ILE   HA     51 ILE  HG13     3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 392, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#   51 ILE   HA     51 ILE  HG12     3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 391, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
#   51 ILE   HA     51 ILE  QD1      4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 394, 395, 396,
 &end
#
#   51 ILE   HA     51 ILE  QG2      3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,
 igr2= 387, 388, 389,
 &end
#
#   57 PRO   HA     58 MET  QG       5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 478,  -1, r1= 1.30, r2= 1.80, r3= 5.95, r4= 6.45,
 igr2= 489, 490,
 &end
#
#   30 SER   HB3    32 THR  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  63, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   30 SER   HB2    33 ARG  HB3      4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  82, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#   72 PHE   HD     77 SER  HB3      4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 794, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 722, 730,
 &end
#
#   55 PHE   HD     77 SER  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 793, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 449, 457,
 &end
#
#   77 SER   HN     77 SER  HB2      3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 789, 793, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   72 PHE   HB2    77 SER  HB2      5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 793, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#   76 GLU   HB2    77 SER  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 778, 793, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   77 SER   HB2    80 LYS  QG       5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 793,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 827, 828,
 &end
#
#   74 GLU   HN     77 SER  HB2      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 749, 793, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#   57 PRO   QB     77 SER  HB2      5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 793, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 475, 476,
 &end
#
#   43 VAL   HA     47 GLU  HB3      4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 323, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   43 VAL   HA     43 VAL  QG2      3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,
 igr2= 269, 270, 271,
 &end
#
#   43 VAL   HA     43 VAL  QG1      3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 265, 266, 267,
 &end
#
#   52 PHE   HZ     97 VAL  HA       5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 412,1085, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   32 THR   HA     99 TYR  HD       4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  65,  -1, r1= 1.30, r2= 1.80, r3= 5.32, r4= 5.82,
 igr2=1123,1132,
 &end
#
#   32 THR   HA     99 TYR  HE       5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  65,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr2=1125,1130,
 &end
#
#   32 THR   HA     78 ALA  HA       4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  65, 802, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   32 THR   HA     72 PHE  HB2      4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  65, 718, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   32 THR   HA     78 ALA  QB       3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  65,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2= 804, 805, 806,
 &end
#
#   32 THR   HA     32 THR  QG2      3.35
 &rst
  ixpk= 0, nxpk= 0, iat=  65,  -1, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,
 igr2=  69,  70,  71,
 &end
#
#   32 THR   HA     72 PHE  HN       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  65, 714, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#   90 PHE   HN     94 PRO  HA       4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 974,1045, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#   88 LYS   HN     94 PRO  HA       4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 941,1045, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#   94 PRO   HA     95 LEU  QD1      5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1045,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=1058,1059,1060,
 &end
#
#   43 VAL   HA     44 GLN  HN       2.81
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 275, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,  &end
#
#   63 ILE   HA     64 LEU  HN       3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 593, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
#   63 ILE   HA     63 ILE  QG1      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 584, 585,
 &end
#
#   63 ILE   HA     68 ALA  QB       3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 657, 658, 659,
 &end
#
#   63 ILE   HA     68 ALA  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 653, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 LEU   HA     97 VAL  HA       3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 103,1085, r1= 1.30, r2= 1.80, r3= 3.83, r4= 4.33,  &end
#
#   97 VAL   HA     97 VAL  QG2      3.69
 &rst
  ixpk= 0, nxpk= 0, iat=1085,  -1, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr2=1093,1094,1095,
 &end
#
#   97 VAL   HA     97 VAL  QG1      3.54
 &rst
  ixpk= 0, nxpk= 0, iat=1085,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2=1089,1090,1091,
 &end
#
#   61 VAL   HA     69 PHE  HN       4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 663, r1= 1.30, r2= 1.80, r3= 4.79, r4= 5.29,  &end
#
#   61 VAL   HA     62 LYS  HN       3.04
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 552, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,  &end
#
#   61 VAL   HA     70 VAL  HA       3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 685, r1= 1.30, r2= 1.80, r3= 3.21, r4= 3.71,  &end
#
#   61 VAL   HA     69 PHE  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 667, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 VAL   HA     70 VAL  QG2      4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 693, 694, 695,
 &end
#
#   46 SER   HA     46 SER  QB       2.82
 &rst
  ixpk= 0, nxpk= 0, iat= 309,  -1, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,
 igr2= 311, 312,
 &end
#
#   77 SER   HA     79 ALA  HN       5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 791, 810, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,  &end
#
#   51 ILE   QG2    52 PHE  HA       4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 402, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 387, 388, 389,
 &end
#
#   52 PHE   HA     52 PHE  HD       3.24
 &rst
  ixpk= 0, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,
 igr2= 408, 416,
 &end
#
#   52 PHE   HA     55 PHE  HD       3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,
 igr2= 449, 457,
 &end
#
#   46 SER   HA     49 ASN  HND2     4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 362, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#   46 SER   HA     49 ASN  HND1     4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 361, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,  &end
#
#   45 GLU   HA     49 ASN  HN       4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 352, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
#   45 GLU   HA     49 ASN  HND2     4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 362, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#   45 GLU   HA     48 LEU  HN       4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 333, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#   45 GLU   HA     45 GLU  QG       3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 299, 300,
 &end
#
#   45 GLU   HA     48 LEU  HB3      3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 338, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   45 GLU   HA     48 LEU  HB2      4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 337, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
#   45 GLU   HA     48 LEU  HG       4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 340, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#   45 GLU   HA     63 ILE  QD1      3.44
 &rst
  ixpk= 0, nxpk= 0, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 587, 588, 589,
 &end
#
#   45 GLU   HA     48 LEU  QD2      4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 346, 347, 348,
 &end
#
#   70 VAL   HA     71 GLU  HN       3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 699, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
#   69 PHE   HN     70 VAL  HA       5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 685, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#   69 PHE   HA     70 VAL  HA       4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 665, 685, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#   61 VAL   QG2    70 VAL  HA       4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,
 igr1= 546, 547, 548,
 &end
#
#   70 VAL   HA     70 VAL  QG2      3.61
 &rst
  ixpk= 0, nxpk= 0, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2= 693, 694, 695,
 &end
#
#   70 VAL   HA     70 VAL  QG1      3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 689, 690, 691,
 &end
#
#   86 HIS   HA     97 VAL  HN       4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 919,1083, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
#   86 HIS   HA     88 LYS  HN       4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 941, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
#   86 HIS   HA     96 GLU  HA       4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 919,1070, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
#   35 PHE   HD     36 VAL  HA       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 142, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1= 128, 136,
 &end
#
#   36 VAL   HA     37 ARG  HG2      5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 163, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#   70 VAL   HA     71 GLU  QG       5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 706, 707,
 &end
#
#   70 VAL   HA     71 GLU  HB2      5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 703, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#   76 GLU   HA     79 ALA  HN       4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 810, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   76 GLU   HA     80 LYS  HN       4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 820, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#   76 GLU   HA     76 GLU  HG2      3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 781, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#   76 GLU   HA     79 ALA  QB       3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 776,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 814, 815, 816,
 &end
#
#   36 VAL   HA     96 GLU  HN       4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 142,1068, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   33 ARG   HN     99 TYR  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  77,1117, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 VAL   HA     37 ARG  HN       3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 156, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#   36 VAL   HA     36 VAL  QG2      3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 150, 151, 152,
 &end
#
#   36 VAL   HA     36 VAL  QG1      3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 146, 147, 148,
 &end
#
#   55 PHE   HA     55 PHE  HD       4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 449, 457,
 &end
#
#   55 PHE   HA     80 LYS  QB       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr2= 824, 825,
 &end
#
#   55 PHE   HA     80 LYS  QG       5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 827, 828,
 &end
#
#   55 PHE   HA     81 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 846, 847, 848,
 &end
#
#   73 GLU   HA     73 GLU  HB3      2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 739, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
#   83 GLU   HA     83 GLU  HG3      3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 879, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,  &end
#
#   83 GLU   HA     83 GLU  QB       2.83
 &rst
  ixpk= 0, nxpk= 0, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,
 igr2= 875, 876,
 &end
#
#   50 GLU   HA     50 GLU  HG3      3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 374, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#   50 GLU   HA     50 GLU  HB2      2.94
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 370, r1= 1.30, r2= 1.80, r3= 2.94, r4= 3.44,  &end
#
#   50 GLU   HA     54 PRO  HD3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   82 ILE   HB     83 GLU  HA       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 856, 873, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   90 PHE   HA     90 PHE  HD       3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr2= 982, 990,
 &end
#
#   90 PHE   HA     91 ALA  QB       5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 998, 999,1000,
 &end
#
#   90 PHE   HA     95 LEU  QD2      4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2=1062,1063,1064,
 &end
#
#   90 PHE   HA     95 LEU  QD1      5.05
 &rst
  ixpk= 0, nxpk= 0, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr2=1058,1059,1060,
 &end
#
#   43 VAL   QG2    48 LEU  HA       4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 335, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 269, 270, 271,
 &end
#
#   80 LYS   HA     82 ILE  QD1      5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 822,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 865, 866, 867,
 &end
#
#   80 LYS   HA     83 GLU  HN       4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 871, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
#   80 LYS   HA     83 GLU  QB       3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 822,  -1, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,
 igr2= 875, 876,
 &end
#
#   80 LYS   HA     80 LYS  QG       3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 822,  -1, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,
 igr2= 827, 828,
 &end
#
#   80 LYS   HA     84 GLU  HN       4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 886, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   48 LEU   HA     52 PHE  HD       4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 408, 416,
 &end
#
#   48 LEU   HA     48 LEU  HG       3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 340, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   48 LEU   HA     51 ILE  QD1      3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2= 394, 395, 396,
 &end
#
#   35 PHE   HD    100 SER  HA       5.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 128, 136,
 &end
#
#   35 PHE   HB2   100 SER  HA       4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 124,1138, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
#   98 VAL   QG1   100 SER  HA       4.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1105,1106,1107,
 &end
#
#   84 GLU   HA     86 HIS  HN       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 917, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
#   84 GLU   HA     84 GLU  HG2      3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 893, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
#   59 LYS   HA     59 LYS  QB       2.87
 &rst
  ixpk= 0, nxpk= 0, iat= 501,  -1, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,
 igr2= 503, 504,
 &end
#
#   41 LEU   HA     43 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 265, 266, 267,
 &end
#
#   41 LEU   HA     43 VAL  HN       4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 259, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   60 GLU   HA     60 GLU  HG3      3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 529, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#   59 LYS   QB     60 GLU  HA       5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 523, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1= 503, 504,
 &end
#
#   60 GLU   HA     61 VAL  QG1      5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr2= 542, 543, 544,
 &end
#
#   49 ASN   HA     49 ASN  HND1     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 361, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 ASN   HA     51 ILE  HN       4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 381, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#   68 ALA   HN     69 PHE  HA       5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 665, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#   69 PHE   HA     69 PHE  HD       3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 671, 679,
 &end
#
#   35 PHE   HD     69 PHE  HA       5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 128, 136,
 &end
#
#   62 LYS   HB2    69 PHE  HA       5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 665, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   36 VAL   QG1    69 PHE  HA       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 146, 147, 148,
 &end
#
#   34 LEU   HN     69 PHE  HA       5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 101, 665, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   69 PHE   HA     70 VAL  HN       3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 665, 683, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#   69 PHE   HA     69 PHE  HE       5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2= 673, 677,
 &end
#
#   68 ALA   QB     69 PHE  HA       5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 657, 658, 659,
 &end
#
#   60 GLU   HA     61 VAL  HN       2.90
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 536, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
#   60 GLU   HA     60 GLU  HG2      2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 528, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
#   89 SER   HA     95 LEU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 965,1049, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   89 SER   HA     95 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 965,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1062,1063,1064,
 &end
#
#   88 LYS   HA     88 LYS  HG3      2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 943, 949, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,  &end
#
#   33 ARG   HA     72 PHE  HN       4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  79, 714, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,  &end
#
#   33 ARG   HA     71 GLU  HA       3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  79, 701, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
#   33 ARG   HA     34 LEU  QD2      5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr2= 114, 115, 116,
 &end
#
#   39 PHE   HA     43 VAL  QG1      4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr2= 265, 266, 267,
 &end
#
#   39 PHE   HA     39 PHE  HD       3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 202, 210,
 &end
#
#   58 MET   HA     59 LYS  HN       3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 499, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   58 MET   HA     70 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 689, 690, 691,
 &end
#
#   58 MET   HA     60 GLU  HN       4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 521, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,  &end
#
#   58 MET   HA     72 PHE  HD       4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2= 722, 730,
 &end
#
#   31 ASN   HB2    75 ALA  HA       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  53, 766, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#   67 PHE   HA     68 ALA  HN       3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 653, r1= 1.30, r2= 1.80, r3= 3.46, r4= 3.96,  &end
#
#   39 PHE   HE     67 PHE  HA       4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,
 igr1= 204, 208,
 &end
#
#   37 ARG   HB3    67 PHE  HA       4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 161, 635, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   67 PHE   HA     68 ALA  QB       5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2= 657, 658, 659,
 &end
#
#   72 PHE   HD     78 ALA  HA       4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 802, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 722, 730,
 &end
#
#   31 ASN   HB3    75 ALA  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  54, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   75 ALA   HA     76 GLU  HG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 766, 781, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 THR   QG2    75 ALA  HA       3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=  69,  70,  71,
 &end
#
#   79 ALA   HA     83 GLU  HN       4.56
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 871, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#   78 ALA   HN     79 ALA  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 800, 812, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 ALA   HA     82 ILE  QD1      4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 812,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 865, 866, 867,
 &end
#
#   79 ALA   HA     82 ILE  HG12     4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 862, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#   52 PHE   HD     81 ALA  HA       5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 5.83, r4= 6.33,
 igr1= 408, 416,
 &end
#
#   55 PHE   HD     81 ALA  HA       4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 449, 457,
 &end
#
#   80 LYS   QG     81 ALA  HA       3.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,
 igr1= 827, 828,
 &end
#
#   34 LEU   QD1    81 ALA  HA       4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 110, 111, 112,
 &end
#
#   96 GLU   HA     97 VAL  HN       3.13
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1083, r1= 1.30, r2= 1.80, r3= 3.13, r4= 3.63,  &end
#
#   96 GLU   HA     97 VAL  QG2      4.61
 &rst
  ixpk= 0, nxpk= 0, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2=1093,1094,1095,
 &end
#
#   96 GLU   HA     98 VAL  QG2      5.80
 &rst
  ixpk= 0, nxpk= 0, iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr2=1109,1110,1111,
 &end
#
#   94 PRO   HA     95 LEU  HA       5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1045,1051, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,  &end
#
#   95 LEU   HA     96 GLU  HN       3.18
 &rst
  ixpk= 0, nxpk= 0, iat=1051,1068, r1= 1.30, r2= 1.80, r3= 3.18, r4= 3.68,  &end
#
#   91 ALA   QB     92 ASN  HA       5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 998, 999,1000,
 &end
#
#   92 ASN   HA     93 GLN  HG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1006,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   79 ALA   HA     82 ILE  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 812,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 858, 859, 860,
 &end
#
#   81 ALA   HA     84 GLU  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 844, 890, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87 GLY   HN     96 GLU  HA       4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 934,1070, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
#   71 GLU   HA     72 PHE  HB2      4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 718, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#   71 GLU   HA     71 GLU  QG       4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr2= 706, 707,
 &end
#
#   33 ARG   HB2    71 GLU  HA       4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  81, 701, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#   34 LEU   HN     71 GLU  HA       4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 101, 701, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   60 GLU   HN     71 GLU  HA       5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 701, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#   70 VAL   HA     71 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 701, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 ARG   QD     71 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 701, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  87,  88,
 &end
#
#   29 LEU   HA     29 LEU  HG       3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  26, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   29 LEU   HA     29 LEU  QD1      3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,
 igr2=  28,  29,  30,
 &end
#
#   71 GLU   HA     72 PHE  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 719, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 GLU   HA     72 PHE  HD       4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr2= 722, 730,
 &end
#
#   44 GLN   HA     63 ILE  QD1      4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 587, 588, 589,
 &end
#
#   64 LEU   HA     64 LEU  QD1      3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr2= 602, 603, 604,
 &end
#
#   37 ARG   HA     39 PHE  HD       4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 202, 210,
 &end
#
#   37 ARG   HA     39 PHE  HE       5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 204, 208,
 &end
#
#   37 ARG   HA     67 PHE  HA       3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 635, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,  &end
#
#   34 LEU   HA    100 SER  HN       3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 103,1136, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   34 LEU   HA     35 PHE  HB3      4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 103, 125, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#   34 LEU   HA     34 LEU  QD2      4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 103,  -1, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,
 igr2= 114, 115, 116,
 &end
#
#   34 LEU   HA     34 LEU  QD1      3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 103,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2= 110, 111, 112,
 &end
#
#   91 ALA   HA     92 ASN  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 996,1009, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   91 ALA   HA     92 ASN  HA       4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 996,1006, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,  &end
#
#   93 GLN   HA     93 GLN  HG2      3.79
 &rst
  ixpk= 0, nxpk= 0, iat=1020,1025, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   93 GLN   HA     94 PRO  HG2      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=1020,1039, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
#   42 ASP   HA     42 ASP  HB2      3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 251, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#   31 ASN   HA     99 TYR  HD       3.62
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,
 igr2=1123,1132,
 &end
#
#   31 ASN   HA     99 TYR  HE       3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 4.34, r4= 4.84,
 igr2=1125,1130,
 &end
#
#   42 ASP   HA     42 ASP  HB3      3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 252, r1= 1.30, r2= 1.80, r3= 3.01, r4= 3.51,  &end
#
#   54 PRO   HD2    55 PHE  HD       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2= 449, 457,
 &end
#
#   51 ILE   HA     54 PRO  HD2      4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 428, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#   54 PRO   HD3    55 PHE  HN       4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 441, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
#   52 PHE   HA     54 PRO  HD3      4.96
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 429, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,  &end
#
#   53 GLY   QA     54 PRO  HD3      4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 422, 423,
 &end
#
#   52 PHE   HN     54 PRO  HD3      5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 429, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#   54 PRO   HD2    55 PHE  HN       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 441, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   57 PRO   HD3    80 LYS  QE       4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 833, 834,
 &end
#
#   68 ALA   HA     69 PHE  HN       3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 663, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
#   64 LEU   HN     68 ALA  HA       3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 655, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   63 ILE   HA     68 ALA  HA       3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 655, r1= 1.30, r2= 1.80, r3= 3.49, r4= 3.99,  &end
#
#   68 ALA   HA     69 PHE  HB2      4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 667, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
#   62 LYS   HB2    68 ALA  HA       4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 655, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
#   93 GLN   HN     94 PRO  QD       5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1018,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1036,1037,
 &end
#
#   93 GLN   HA     94 PRO  QD       3.32
 &rst
  ixpk= 0, nxpk= 0, iat=1020,  -1, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,
 igr2=1036,1037,
 &end
#
#   93 GLN   HB2    94 PRO  QD       3.18
 &rst
  ixpk= 0, nxpk= 0, iat=1022,  -1, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,
 igr2=1036,1037,
 &end
#
#   37 ARG   HD2    67 PHE  HE       5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 643, 647,
 &end
#
#   53 GLY   QA     56 GLY  HN       5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 461, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 422, 423,
 &end
#
#   53 GLY   QA     55 PHE  HN       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 422, 423,
 &end
#
#   52 PHE   HN     53 GLY  QA       4.70
 &rst
  ixpk= 0, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 422, 423,
 &end
#
#   52 PHE   HA     53 GLY  QA       5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2= 422, 423,
 &end
#
#   52 PHE   HB2    53 GLY  QA       4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 5.46, r4= 5.96,
 igr2= 422, 423,
 &end
#
#   53 GLY   QA     58 MET  QE       4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr1= 422, 423,
 igr2= 493, 494, 495,
 &end
#
#   53 GLY   QA     54 PRO  QG       5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1= 422, 423,
 igr2= 431, 432,
 &end
#
#   53 GLY   QA     58 MET  QG       5.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.59, r4= 7.09,
 igr1= 422, 423,
 igr2= 489, 490,
 &end
#
#   65 ASN   HB3    66 GLY  HA3      5.45
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 629, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,  &end
#
#   66 GLY   HA2    67 PHE  HD       5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2= 641, 649,
 &end
#
#   41 LEU   QD1    66 GLY  HA2      4.74
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 628, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 237, 238, 239,
 &end
#
#   39 PHE   HB2    66 GLY  HA3      4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 629, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,  &end
#
#   86 HIS   HD2    87 GLY  HA3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 930, 937, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87 GLY   HA3    94 PRO  HB3      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 937,1043, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#   87 GLY   HA3    94 PRO  HB2      4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 937,1042, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,  &end
#
#   87 GLY   HA2    94 PRO  HG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 936,1039, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   87 GLY   HA2    94 PRO  HB3      4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 936,1043, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,  &end
#
#   87 GLY   HA3    94 PRO  HG3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 937,1040, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   56 GLY   QA     57 PRO  HD2      3.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 469, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,
 igr1= 463, 464,
 &end
#
#   56 GLY   QA     57 PRO  HG2      4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 463, 464,
 &end
#
#   56 GLY   QA     57 PRO  HG3      4.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 473, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr1= 463, 464,
 &end
#
#   56 GLY   QA     57 PRO  QB       5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 463, 464,
 igr2= 475, 476,
 &end
#
#   34 LEU   HB2    98 VAL  HN       5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 105,1099, r1= 1.30, r2= 1.80, r3= 5.39, r4= 5.89,  &end
#
#   34 LEU   HB3    34 LEU  QD2      4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 106,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 114, 115, 116,
 &end
#
#   34 LEU   HB3    35 PHE  HN       4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 120, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,  &end
#
#   34 LEU   HB3    70 VAL  HN       5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 683, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   34 LEU   HB2    70 VAL  HN       5.30
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 683, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   34 LEU   HB2    34 LEU  QD2      3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 114, 115, 116,
 &end
#
#   37 ARG   HD3    67 PHE  HE       3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 167,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 643, 647,
 &end
#
#   95 LEU   HB3    96 GLU  HN       4.63
 &rst
  ixpk= 0, nxpk= 0, iat=1054,1068, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   88 LYS   HN     95 LEU  HB3      4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 941,1054, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#   95 LEU   HB3    97 VAL  QG2      5.17
 &rst
  ixpk= 0, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=1093,1094,1095,
 &end
#
#   95 LEU   HB3    95 LEU  QD2      3.90
 &rst
  ixpk= 0, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 4.68, r4= 5.18,
 igr2=1062,1063,1064,
 &end
#
#   95 LEU   HB3    95 LEU  QD1      4.23
 &rst
  ixpk= 0, nxpk= 0, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=1058,1059,1060,
 &end
#
#   95 LEU   HB2    95 LEU  QD2      3.96
 &rst
  ixpk= 0, nxpk= 0, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr2=1062,1063,1064,
 &end
#
#   37 ARG   HN     37 ARG  HD3      5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 167, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#   39 PHE   HB3    43 VAL  QG2      4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 269, 270, 271,
 &end
#
#   39 PHE   HN     39 PHE  HB3      4.09
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 199, r1= 1.30, r2= 1.80, r3= 4.09, r4= 4.59,  &end
#
#   39 PHE   HB2    43 VAL  HA       4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 261, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   39 PHE   HB2    43 VAL  QG2      4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 198,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr2= 269, 270, 271,
 &end
#
#   39 PHE   HB2    43 VAL  QG1      4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 198,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 265, 266, 267,
 &end
#
#   29 LEU   HB3    31 ASN  HN       4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  24,  49, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#   29 LEU   HB3    30 SER  HA       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=  24,  40, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 LEU   HB3    99 TYR  HB3      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  24,1120, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#   29 LEU   HB3    99 TYR  HB2      5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  24,1119, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
#   29 LEU   HB3    29 LEU  QD2      3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  24,  -1, r1= 1.30, r2= 1.80, r3= 4.59, r4= 5.09,
 igr2=  32,  33,  34,
 &end
#
#   29 LEU   HB3    29 LEU  QD1      4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  24,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2=  28,  29,  30,
 &end
#
#   29 LEU   HB3    99 TYR  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  24,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1123,1132,
 &end
#
#   29 LEU   HB2    31 ASN  HN       4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  49, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,  &end
#
#   29 LEU   HB2    29 LEU  QD2      3.80
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2=  32,  33,  34,
 &end
#
#   29 LEU   HB2    99 TYR  HB2      4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  23,1119, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,  &end
#
#   34 LEU   HN     69 PHE  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 101, 668, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   85 VAL   QG1    88 LYS  QE       5.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 907, 908, 909,
 igr2= 954, 955,
 &end
#
#   39 PHE   HE     90 PHE  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 204, 208,
 &end
#
#   90 PHE   HB2    91 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 998, 999,1000,
 &end
#
#   62 LYS   HB3    69 PHE  HB2      4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 667, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   62 LYS   HD2    69 PHE  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 667, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 LYS   QE     74 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 512, 513,
 &end
#
#   59 LYS   HD3    59 LYS  QE       2.65
 &rst
  ixpk= 0, nxpk= 0, iat= 510,  -1, r1= 1.30, r2= 1.80, r3= 2.97, r4= 3.47,
 igr2= 512, 513,
 &end
#
#   59 LYS   QE     73 GLU  HB3      2.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 3.04, r4= 3.54,
 igr1= 512, 513,
 &end
#
#   72 PHE   HB2    78 ALA  QB       4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 718,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr2= 804, 805, 806,
 &end
#
#   34 LEU   QD2    72 PHE  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 114, 115, 116,
 &end
#
#   72 PHE   HN     72 PHE  HB2      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 714, 718, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   72 PHE   HB2    77 SER  HB3      4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 794, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#   72 PHE   HB2    78 ALA  HN       5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 800, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
#   52 PHE   HB3    55 PHE  HD       4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 449, 457,
 &end
#
#   52 PHE   HB3    81 ALA  QB       5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2= 846, 847, 848,
 &end
#
#   35 PHE   HB3    69 PHE  HD       4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 671, 679,
 &end
#
#   35 PHE   HB3    69 PHE  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 665, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 PHE   HB3    98 VAL  QG1      4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr2=1105,1106,1107,
 &end
#
#   35 PHE   HN     35 PHE  HB2      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 120, 124, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   51 ILE   HB     52 PHE  HB2      4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 404, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,  &end
#
#   48 LEU   HB3    49 ASN  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 354, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 LEU   HB3    63 ILE  QD1      5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr2= 587, 588, 589,
 &end
#
#   48 LEU   HB3    52 PHE  HD       5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2= 408, 416,
 &end
#
#   48 LEU   HB3    49 ASN  HND2     5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 362, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,  &end
#
#   48 LEU   HB3    70 VAL  QG1      4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 689, 690, 691,
 &end
#
#   40 PRO   HB3    41 LEU  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 232, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 LEU   HB2    52 PHE  HD       4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 408, 416,
 &end
#
#   52 PHE   HB3    53 GLY  HN       4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 420, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
#   52 PHE   HB2    61 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 546, 547, 548,
 &end
#
#   52 PHE   HB2    70 VAL  QG1      4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr2= 689, 690, 691,
 &end
#
#   41 LEU   HB3    41 LEU  QD2      3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 233,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2= 241, 242, 243,
 &end
#
#   41 LEU   HB2    42 ASP  HN       4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 247, r1= 1.30, r2= 1.80, r3= 4.81, r4= 5.31,  &end
#
#   41 LEU   HB2    41 LEU  QD2      3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 241, 242, 243,
 &end
#
#   64 LEU   HB3    64 LEU  QD1      3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 598,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 602, 603, 604,
 &end
#
#   64 LEU   HB3    67 PHE  HN       4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 633, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   63 ILE   HA     64 LEU  HB2      5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 597, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#   64 LEU   HB2    65 ASN  HN       4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 612, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
#   64 LEU   HB2    67 PHE  HN       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 633, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   64 LEU   HB2    67 PHE  HD       5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr2= 641, 649,
 &end
#
#   64 LEU   HB2    64 LEU  QD1      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 597,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr2= 602, 603, 604,
 &end
#
#   63 ILE   QG2    64 LEU  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 597, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 580, 581, 582,
 &end
#
#   42 ASP   HB2    43 VAL  HA       5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 261, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#   51 ILE   HB     52 PHE  HD       4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr2= 408, 416,
 &end
#
#   48 LEU   HA     51 ILE  HB       3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 385, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   51 ILE   HB     51 ILE  QD1      3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr2= 394, 395, 396,
 &end
#
#   51 ILE   HB     52 PHE  HA       5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 402, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#   29 LEU   HA     99 TYR  HB3      5.18
 &rst
  ixpk= 0, nxpk= 0, iat=  21,1120, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,  &end
#
#   99 TYR   HB3   100 SER  HN       4.44
 &rst
  ixpk= 0, nxpk= 0, iat=1120,1136, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#   29 LEU   QD1    99 TYR  HB3      4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr1=  28,  29,  30,
 &end
#
#   29 LEU   HB2    99 TYR  HB3      4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  23,1120, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
#   29 LEU   QD1    99 TYR  HB2      4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1=  28,  29,  30,
 &end
#
#   31 ASN   HB2    99 TYR  HE       4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  53,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1125,1130,
 &end
#
#   31 ASN   HB2    75 ALA  QB       4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  53,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr2= 768, 769, 770,
 &end
#
#   31 ASN   HB3    75 ALA  QB       4.21
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 768, 769, 770,
 &end
#
#   63 ILE   HB     64 LEU  HN       4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 593, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
#   55 PHE   HB2    80 LYS  QD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 830, 831,
 &end
#
#   82 ILE   HB     84 GLU  HN       5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 856, 886, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#   79 ALA   HA     82 ILE  HB       3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 856, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
#   55 PHE   HB3    56 GLY  QA       4.55
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,
 igr2= 463, 464,
 &end
#
#   55 PHE   HB3    80 LYS  QG       5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 827, 828,
 &end
#
#   55 PHE   HN     55 PHE  HB3      3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 446, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
#   55 PHE   HB3    81 ALA  QB       4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 446,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 846, 847, 848,
 &end
#
#   55 PHE   HB2    81 ALA  QB       4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 846, 847, 848,
 &end
#
#   55 PHE   HN     55 PHE  HB2      3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 445, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#   55 PHE   HB2    72 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 730,
 &end
#
#   52 PHE   HA     55 PHE  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 445, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 PHE   HB2    80 LYS  QG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 445,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 827, 828,
 &end
#
#   91 ALA   QB     92 ASN  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 998, 999,1000,
 &end
#
#   49 ASN   HB3    58 MET  QE       5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 357,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2= 493, 494, 495,
 &end
#
#   44 GLN   HN     47 GLU  HG3      4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 326, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#   47 GLU   HN     47 GLU  HG3      3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 326, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   47 GLU   HA     47 GLU  HG3      3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 326, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
#   44 GLN   HN     47 GLU  HG2      4.73
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 325, r1= 1.30, r2= 1.80, r3= 4.73, r4= 5.23,  &end
#
#   47 GLU   HN     47 GLU  HG2      3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 325, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#   47 GLU   HA     47 GLU  HG2      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 325, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   43 VAL   QG2    47 GLU  HG2      4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 269, 270, 271,
 &end
#
#   49 ASN   HN     49 ASN  HB3      3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 357, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
#   49 ASN   HB3    50 GLU  HN       4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 357, 366, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#   46 SER   HA     49 ASN  HB3      3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 357, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,  &end
#
#   46 SER   HA     49 ASN  HB2      3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 356, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
#   46 SER   QB     49 ASN  HB2      4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 356, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 311, 312,
 &end
#
#   49 ASN   HB2    58 MET  QE       5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 356,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr2= 493, 494, 495,
 &end
#
#   64 LEU   HB2    65 ASN  HB2      5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 616, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,  &end
#
#   64 LEU   HB3    65 ASN  HB2      5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 616, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   41 LEU   QD1    65 ASN  HB2      4.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 616, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 237, 238, 239,
 &end
#
#   55 PHE   HD     84 GLU  HG2      5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 449, 457,
 &end
#
#   84 GLU   HG2    85 VAL  QG1      4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 893,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr2= 907, 908, 909,
 &end
#
#   41 LEU   QD1    65 ASN  HB3      4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 237, 238, 239,
 &end
#
#   65 ASN   HB2    66 GLY  HN       4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 626, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#   65 ASN   HB2    67 PHE  HN       4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 633, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#   55 PHE   HD     84 GLU  HG3      4.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 449, 457,
 &end
#
#   55 PHE   HZ     84 GLU  HG3      4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 894, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,  &end
#
#   84 GLU   HA     84 GLU  HG3      3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 888, 894, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
#   80 LYS   QG     84 GLU  HG3      4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr1= 827, 828,
 &end
#
#   84 GLU   HG3    85 VAL  QG1      5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr2= 907, 908, 909,
 &end
#
#   80 LYS   QG     84 GLU  HG2      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 827, 828,
 &end
#
#   74 GLU   HG3    77 SER  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 757, 789, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 GLU   QG     63 ILE  QD1      4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 299, 300,
 igr2= 587, 588, 589,
 &end
#
#   34 LEU   HN     71 GLU  QG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 706, 707,
 &end
#
#   71 GLU   QG     72 PHE  HN       4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 706, 707,
 &end
#
#   33 ARG   HA     71 GLU  QG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 706, 707,
 &end
#
#   59 LYS   QB     73 GLU  HG2      3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 741, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 503, 504,
 &end
#
#   32 THR   QG2    71 GLU  QG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  69,  70,  71,
 igr2= 706, 707,
 &end
#
#   98 VAL   HB     99 TYR  HN       3.31
 &rst
  ixpk= 0, nxpk= 0, iat=1103,1115, r1= 1.30, r2= 1.80, r3= 3.31, r4= 3.81,  &end
#
#   82 ILE   QG2    83 GLU  HG3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 879, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 858, 859, 860,
 &end
#
#   50 GLU   HN     50 GLU  HG2      4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 373, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
#   50 GLU   HG2    51 ILE  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 373, 381, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   50 GLU   HA     50 GLU  HG2      3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 373, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#   73 GLU   HG3    74 GLU  HN       4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 742, 749, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
#   45 GLU   QG     61 VAL  QG2      5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 299, 300,
 igr2= 546, 547, 548,
 &end
#
#   96 GLU   HG2    97 VAL  HN       5.16
 &rst
  ixpk= 0, nxpk= 0, iat=1075,1083, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#   96 GLU   HN     96 GLU  HG2      4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1068,1075, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#   73 GLU   HA     73 GLU  HG3      3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 742, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   45 GLU   QG     48 LEU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 333, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 299, 300,
 &end
#
#   60 GLU   HN     60 GLU  HG3      5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 529, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
#   59 LYS   QE     71 GLU  QG       4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 512, 513,
 igr2= 706, 707,
 &end
#
#   73 GLU   HA     73 GLU  HG2      3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 741, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
#   60 GLU   HN     60 GLU  HG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 528, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   83 GLU   HG2    84 GLU  HN       5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 878, 886, r1= 1.30, r2= 1.80, r3= 5.11, r4= 5.61,  &end
#
#   83 GLU   HA     83 GLU  HG2      3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 878, r1= 1.30, r2= 1.80, r3= 3.81, r4= 4.31,  &end
#
#   62 LYS   HB3    69 PHE  HD       4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,
 igr2= 671, 679,
 &end
#
#   62 LYS   HB2    69 PHE  HB2      4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 667, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
#   62 LYS   HB2    69 PHE  HN       4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 663, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   62 LYS   HB2    69 PHE  HD       4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 556,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 671, 679,
 &end
#
#   62 LYS   HB2    64 LEU  QD1      4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 556,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2= 602, 603, 604,
 &end
#
#   62 LYS   HB2    62 LYS  HE3      4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 566, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,  &end
#
#   68 ALA   QB     70 VAL  HB       5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 657, 658, 659,
 &end
#
#   36 VAL   HB     39 PHE  HE       3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 204, 208,
 &end
#
#   61 VAL   HA     62 LYS  HB2      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 556, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#   58 MET   HB2    70 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 689, 690, 691,
 &end
#
#   34 LEU   HN     70 VAL  HB       4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 101, 687, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   61 VAL   HA     70 VAL  HB       5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 687, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,  &end
#
#   70 VAL   HB     71 GLU  HN       4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 699, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#   70 VAL   HN     70 VAL  HB       3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 683, 687, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#   69 PHE   HA     70 VAL  HB       4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 665, 687, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#   34 LEU   HB2    70 VAL  HB       3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 687, r1= 1.30, r2= 1.80, r3= 3.89, r4= 4.39,  &end
#
#   34 LEU   QD2    70 VAL  HB       3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 114, 115, 116,
 &end
#
#   34 LEU   QD1    70 VAL  HB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 110, 111, 112,
 &end
#
#   52 PHE   HD     70 VAL  HB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 408, 416,
 &end
#
#   58 MET   HB2    59 LYS  HA       5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 501, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#   59 LYS   QB     73 GLU  HA       4.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 736, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,
 igr1= 503, 504,
 &end
#
#   58 MET   HA     59 LYS  QB       4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr2= 503, 504,
 &end
#
#   59 LYS   QB     59 LYS  HD3      3.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 510, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,
 igr1= 503, 504,
 &end
#
#   45 GLU   HA     61 VAL  HB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 540, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 VAL   HB     63 ILE  QD1      5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2= 587, 588, 589,
 &end
#
#   59 LYS   QB     59 LYS  QE       4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 503, 504,
 igr2= 512, 513,
 &end
#
#   59 LYS   QB     73 GLU  HB3      4.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 739, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,
 igr1= 503, 504,
 &end
#
#   43 VAL   QG1    44 GLN  QG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 265, 266, 267,
 igr2= 282, 283,
 &end
#
#   44 GLN   HN     44 GLN  QG       3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2= 282, 283,
 &end
#
#   44 GLN   QG     47 GLU  HN       5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 282, 283,
 &end
#
#   44 GLN   HA     44 GLN  QG       3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 282, 283,
 &end
#
#   43 VAL   HA     44 GLN  QG       4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 261,  -1, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,
 igr2= 282, 283,
 &end
#
#   38 PRO   HB3    39 PHE  HN       4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 188, 194, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
#   38 PRO   HB2    39 PHE  HN       4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 194, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
#   43 VAL   QG2    44 GLN  QG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 269, 270, 271,
 igr2= 282, 283,
 &end
#
#   93 GLN   HN     93 GLN  HG3      4.49
 &rst
  ixpk= 0, nxpk= 0, iat=1018,1026, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   91 ALA   QB     93 GLN  HG3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1026, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 998, 999,1000,
 &end
#
#   86 HIS   HA     97 VAL  HB       4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 919,1087, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   86 HIS   HB2    97 VAL  HB       3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 921,1087, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
#   93 GLN   HA     93 GLN  HG3      4.15
 &rst
  ixpk= 0, nxpk= 0, iat=1020,1026, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,  &end
#
#   93 GLN   HG2    94 PRO  QD       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2=1036,1037,
 &end
#
#   96 GLU   HA     97 VAL  HB       5.00
 &rst
  ixpk= 0, nxpk= 0, iat=1070,1087, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 PRO   HB3    42 ASP  HN       4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 247, r1= 1.30, r2= 1.80, r3= 4.46, r4= 4.96,  &end
#
#   40 PRO   HB3    41 LEU  QD1      5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 222,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2= 237, 238, 239,
 &end
#
#   88 LYS   HB3    90 PHE  HD       5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 946,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr2= 982, 990,
 &end
#
#   85 VAL   HA     88 LYS  HB3      4.21
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 946, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,  &end
#
#   88 LYS   HB2    88 LYS  QE       4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr2= 954, 955,
 &end
#
#   88 LYS   HB2    95 LEU  QD2      4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2=1062,1063,1064,
 &end
#
#   34 LEU   HN     71 GLU  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 101, 703, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 PRO   QB     58 MET  HN       4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 482, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 475, 476,
 &end
#
#   39 PHE   HN     43 VAL  HB       4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 194, 263, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#   39 PHE   HD     43 VAL  HB       5.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 263, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 202, 210,
 &end
#
#   85 VAL   HB     86 HIS  HN       4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 905, 917, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#   51 ILE   QG2    85 VAL  HB       5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 905, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,
 igr1= 387, 388, 389,
 &end
#
#   80 LYS   HN     80 LYS  QB       2.97
 &rst
  ixpk= 0, nxpk= 0, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr2= 824, 825,
 &end
#
#   80 LYS   HA     80 LYS  QB       2.98
 &rst
  ixpk= 0, nxpk= 0, iat= 822,  -1, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,
 igr2= 824, 825,
 &end
#
#   80 LYS   QB     80 LYS  QE       4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 824, 825,
 igr2= 833, 834,
 &end
#
#   60 GLU   HN     71 GLU  HB2      4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 703, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#   58 MET   QG     61 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 489, 490,
 igr2= 546, 547, 548,
 &end
#
#   58 MET   HN     58 MET  QG       4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 482,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2= 489, 490,
 &end
#
#   58 MET   QG     72 PHE  HD       4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 489, 490,
 igr2= 722, 730,
 &end
#
#   58 MET   HA     58 MET  QG       4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 489, 490,
 &end
#
#   58 MET   QG     70 VAL  QG1      5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 489, 490,
 igr2= 689, 690, 691,
 &end
#
#   33 ARG   HB2    34 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 114, 115, 116,
 &end
#
#   33 ARG   HB2   100 SER  HA       4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  81,1138, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   33 ARG   HB2    99 TYR  HD       5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  81,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr2=1123,1132,
 &end
#
#   86 HIS   HN     86 HIS  HB3      3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 917, 922, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#   86 HIS   HB2    96 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 921,1070, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   58 MET   QG     59 LYS  HN       4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 489, 490,
 &end
#
#   81 ALA   QB     84 GLU  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 846, 847, 848,
 &end
#
#   84 GLU   HB3    85 VAL  QG1      4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 891,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr2= 907, 908, 909,
 &end
#
#   84 GLU   HB2    84 GLU  HG2      2.75
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 893, r1= 1.30, r2= 1.80, r3= 2.75, r4= 3.25,  &end
#
#   55 PHE   HZ     84 GLU  HB2      3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 890, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
#   84 GLU   HB2    85 VAL  QG1      4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 907, 908, 909,
 &end
#
#   83 GLU   HA     86 HIS  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 873, 922, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   86 HIS   HB2    97 VAL  HN       4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 921,1083, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#   82 ILE   HN     86 HIS  HB2      5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 921, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#   84 GLU   HN     84 GLU  HB3      3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 886, 891, r1= 1.30, r2= 1.80, r3= 3.78, r4= 4.28,  &end
#
#   55 PHE   HD     84 GLU  HB3      4.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,
 igr1= 449, 457,
 &end
#
#   55 PHE   HZ     84 GLU  HB3      3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 891, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,  &end
#
#   84 GLU   HB2    85 VAL  HN       3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 890, 901, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,  &end
#
#   94 PRO   HB2    95 LEU  HN       4.43
 &rst
  ixpk= 0, nxpk= 0, iat=1042,1049, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,  &end
#
#   87 GLY   HA2    94 PRO  HB2      4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 936,1042, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,  &end
#
#   87 GLY   HN     94 PRO  HB2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 934,1042, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
#   37 ARG   HB2    67 PHE  HD       5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2= 641, 649,
 &end
#
#   37 ARG   HB2    67 PHE  HA       4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 635, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   37 ARG   HN     96 GLU  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 156,1072, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   73 GLU   HN     73 GLU  HB3      4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 734, 739, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
#   82 ILE   HA     83 GLU  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 875, 876,
 &end
#
#   50 GLU   HN     50 GLU  HB3      3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 371, r1= 1.30, r2= 1.80, r3= 3.56, r4= 4.06,  &end
#
#   50 GLU   HB3    51 ILE  HN       4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 381, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
#   50 GLU   HB3    51 ILE  HG12     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 391, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   49 ASN   HN     50 GLU  HB2      4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 370, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
#   50 GLU   HN     50 GLU  HB2      3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 370, r1= 1.30, r2= 1.80, r3= 3.47, r4= 3.97,  &end
#
#   50 GLU   HB3    51 ILE  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 371,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 394, 395, 396,
 &end
#
#   43 VAL   QG2    47 GLU  HB2      4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 322, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 269, 270, 271,
 &end
#
#   47 GLU   HB2    48 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 346, 347, 348,
 &end
#
#   82 ILE   HN     82 ILE  HG13     3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 852, 863, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
#   82 ILE   HG13   83 GLU  HN       4.93
 &rst
  ixpk= 0, nxpk= 0, iat= 863, 871, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,  &end
#
#   79 ALA   HA     82 ILE  HG13     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 863, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 PHE   HE     48 LEU  HG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 204, 208,
 &end
#
#   44 GLN   HN     48 LEU  HG       5.23
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 340, r1= 1.30, r2= 1.80, r3= 5.23, r4= 5.73,  &end
#
#   48 LEU   HG     52 PHE  HD       5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 408, 416,
 &end
#
#   48 LEU   HN     48 LEU  HG       3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 340, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
#   47 GLU   HB3    48 LEU  HG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 LEU   HG     63 ILE  QD1      4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 340,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 587, 588, 589,
 &end
#
#   47 GLU   HB2    48 LEU  QD1      4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 342, 343, 344,
 &end
#
#   45 GLU   HB3    63 ILE  QD1      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 587, 588, 589,
 &end
#
#   44 GLN   HN     47 GLU  HB2      4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 322, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
#   47 GLU   HB2    48 LEU  HG       4.74
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 340, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,  &end
#
#   45 GLU   HB2    61 VAL  QG1      5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 6.29, r4= 6.79,
 igr2= 542, 543, 544,
 &end
#
#   45 GLU   HB2    63 ILE  QD1      4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr2= 587, 588, 589,
 &end
#
#   59 LYS   HN     59 LYS  HD3      5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 510, r1= 1.30, r2= 1.80, r3= 5.43, r4= 5.93,  &end
#
#   59 LYS   HD3    72 PHE  HA       4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 510, 716, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#   33 ARG   QG     69 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=  84,  85,
 igr2= 671, 679,
 &end
#
#   33 ARG   QG    100 SER  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  84,  85,
 &end
#
#   33 ARG   QG     72 PHE  HN       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1=  84,  85,
 &end
#
#   59 LYS   HD2    60 GLU  HN       5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 521, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#   59 LYS   HA     59 LYS  HD2      5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 509, r1= 1.30, r2= 1.80, r3= 5.29, r4= 5.79,  &end
#
#   59 LYS   HD2    73 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 509, 736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   82 ILE   HG13   97 VAL  HB       5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 863,1087, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#   82 ILE   HG12   83 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 862, 871, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   82 ILE   HG12   97 VAL  HB       5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 862,1087, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
#   55 PHE   HD     80 LYS  QD       5.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.70, r4= 7.20,
 igr1= 449, 457,
 igr2= 830, 831,
 &end
#
#   77 SER   HA     80 LYS  QD       3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 791,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 830, 831,
 &end
#
#   87 GLY   HN     88 LYS  QD       4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 934,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 951, 952,
 &end
#
#   33 ARG   QG     34 LEU  HN       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 101, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1=  84,  85,
 &end
#
#   33 ARG   HN     33 ARG  QG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  84,  85,
 &end
#
#   33 ARG   QG     71 GLU  HA       5.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 701, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1=  84,  85,
 &end
#
#   33 ARG   QG    100 SER  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=  84,  85,
 &end
#
#   80 LYS   QG     80 LYS  QD       2.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.38, r4= 3.88,
 igr1= 827, 828,
 igr2= 830, 831,
 &end
#
#   45 GLU   HA     63 ILE  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 584, 585,
 &end
#
#   63 ILE   QG1    64 LEU  HN       5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 584, 585,
 &end
#
#   63 ILE   QG1    68 ALA  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 584, 585,
 &end
#
#   57 PRO   HG3    58 MET  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 482, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   57 PRO   HG2    73 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 734, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 PHE   HA     54 PRO  QG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 431, 432,
 &end
#
#   64 LEU   HN     64 LEU  HG       4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 600, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
#   64 LEU   HG     65 ASN  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 612, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 LEU   HG     69 PHE  HZ       5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 600, 675, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
#   64 LEU   HA     64 LEU  HG       3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 600, r1= 1.30, r2= 1.80, r3= 3.80, r4= 4.30,  &end
#
#   63 ILE   HN     64 LEU  HG       5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 600, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#   63 ILE   HA     64 LEU  HG       5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 600, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   41 LEU   HA     41 LEU  HG       3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 235, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
#   29 LEU   HB2    29 LEU  HG       2.93
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  26, r1= 1.30, r2= 1.80, r3= 2.93, r4= 3.43,  &end
#
#   95 LEU   HA     95 LEU  HG       4.27
 &rst
  ixpk= 0, nxpk= 0, iat=1051,1056, r1= 1.30, r2= 1.80, r3= 4.27, r4= 4.77,  &end
#
#   90 PHE   HB3    95 LEU  HG       4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 979,1056, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#   90 PHE   HB2    95 LEU  HG       4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 978,1056, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,  &end
#
#   34 LEU   HG     35 PHE  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 120, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 LEU   HG     70 VAL  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 683, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 LEU   HG     31 ASN  HN       4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  49, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,  &end
#
#   90 PHE   HD     95 LEU  HG       5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 982, 990,
 &end
#
#   95 LEU   HG     96 GLU  HN       5.10
 &rst
  ixpk= 0, nxpk= 0, iat=1056,1068, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   90 PHE   HN     95 LEU  HG       5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 974,1056, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   95 LEU   HN     95 LEU  HG       4.01
 &rst
  ixpk= 0, nxpk= 0, iat=1049,1056, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
#   34 LEU   HN     34 LEU  QD2      4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 114, 115, 116,
 &end
#
#   34 LEU   QD2    35 PHE  HN       5.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 120, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 114, 115, 116,
 &end
#
#   34 LEU   QD2    70 VAL  HN       5.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 683, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 114, 115, 116,
 &end
#
#   34 LEU   QD2    55 PHE  HD       4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.73, r4= 6.23,
 igr1= 114, 115, 116,
 igr2= 449, 457,
 &end
#
#   34 LEU   QD2    72 PHE  HD       4.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 114, 115, 116,
 igr2= 722, 730,
 &end
#
#   85 VAL   HA     88 LYS  HG2      4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 903, 948, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
#   64 LEU   HN     64 LEU  QD1      4.37
 &rst
  ixpk= 0, nxpk= 0, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr2= 602, 603, 604,
 &end
#
#   64 LEU   QD1    69 PHE  HE       4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 602, 603, 604,
 igr2= 673, 677,
 &end
#
#   64 LEU   QD1    67 PHE  HD       4.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 602, 603, 604,
 igr2= 641, 649,
 &end
#
#   64 LEU   QD1    67 PHE  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 638, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 602, 603, 604,
 &end
#
#   62 LYS   HE3    64 LEU  QD1      4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr2= 602, 603, 604,
 &end
#
#   29 LEU   QD2    99 TYR  HD       4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1=  32,  33,  34,
 igr2=1123,1132,
 &end
#
#   29 LEU   QD2    99 TYR  HB3      4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=  32,  33,  34,
 &end
#
#   29 LEU   QD2    99 TYR  HB2      3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1=  32,  33,  34,
 &end
#
#   90 PHE   HN     95 LEU  QD2      5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 974,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2=1062,1063,1064,
 &end
#
#   85 VAL   HA     95 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1062,1063,1064,
 &end
#
#   90 PHE   HB3    95 LEU  QD2      4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2=1062,1063,1064,
 &end
#
#   90 PHE   HB2    95 LEU  QD2      3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2=1062,1063,1064,
 &end
#
#   88 LYS   HB3    95 LEU  QD2      4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 946,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1062,1063,1064,
 &end
#
#   36 VAL   QG2    95 LEU  QD2      4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1= 150, 151, 152,
 igr2=1062,1063,1064,
 &end
#
#   55 PHE   HD     80 LYS  QG       5.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.31, r4= 6.81,
 igr1= 449, 457,
 igr2= 827, 828,
 &end
#
#   88 LYS   HG3    88 LYS  QE       4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 949,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 954, 955,
 &end
#
#   95 LEU   QD2    96 GLU  HN       5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1=1062,1063,1064,
 &end
#
#   95 LEU   HN     95 LEU  QD2      4.44
 &rst
  ixpk= 0, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,
 igr2=1062,1063,1064,
 &end
#
#   88 LYS   HN     95 LEU  QD2      5.17
 &rst
  ixpk= 0, nxpk= 0, iat= 941,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr2=1062,1063,1064,
 &end
#
#   90 PHE   HD     95 LEU  QD2      4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.50, r4= 7.00,
 igr1= 982, 990,
 igr2=1062,1063,1064,
 &end
#
#   95 LEU   HA     95 LEU  QD2      4.35
 &rst
  ixpk= 0, nxpk= 0, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr2=1062,1063,1064,
 &end
#
#   38 PRO   QG     95 LEU  QD2      3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 184, 185,
 igr2=1062,1063,1064,
 &end
#
#   48 LEU   QD2    69 PHE  HN       5.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 346, 347, 348,
 &end
#
#   44 GLN   HN     48 LEU  QD2      4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 275,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 346, 347, 348,
 &end
#
#   48 LEU   QD2    52 PHE  HD       5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1= 346, 347, 348,
 igr2= 408, 416,
 &end
#
#   48 LEU   HN     48 LEU  QD2      4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 346, 347, 348,
 &end
#
#   39 PHE   HE     48 LEU  QD2      4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 204, 208,
 igr2= 346, 347, 348,
 &end
#
#   48 LEU   HA     48 LEU  QD2      4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 346, 347, 348,
 &end
#
#   47 GLU   HB3    48 LEU  QD2      4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 346, 347, 348,
 &end
#
#   48 LEU   HB3    48 LEU  QD2      4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr2= 346, 347, 348,
 &end
#
#   48 LEU   HB2    48 LEU  QD2      4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr2= 346, 347, 348,
 &end
#
#   48 LEU   QD2    68 ALA  QB       3.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1= 346, 347, 348,
 igr2= 657, 658, 659,
 &end
#
#   43 VAL   QG2    48 LEU  QD2      3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.25, r4= 5.75,
 igr1= 269, 270, 271,
 igr2= 346, 347, 348,
 &end
#
#   48 LEU   QD2    63 ILE  QD1      3.44
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 346, 347, 348,
 igr2= 587, 588, 589,
 &end
#
#   37 ARG   HG3    38 PRO  QD       5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 164,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 181, 182,
 &end
#
#   36 VAL   HA     37 ARG  HG3      5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 164, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   62 LYS   HN     62 LYS  HG3      5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 560, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#   62 LYS   HG3    69 PHE  HD       5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 560,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr2= 671, 679,
 &end
#
#   59 LYS   HN     59 LYS  HG3      4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 507, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,  &end
#
#   59 LYS   HG3    60 GLU  HN       5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 521, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,  &end
#
#   59 LYS   HA     59 LYS  HG3      4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 507, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,  &end
#
#   35 PHE   HD     37 ARG  HG2      5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 163, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 128, 136,
 &end
#
#   59 LYS   HG2    59 LYS  QE       3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 512, 513,
 &end
#
#   59 LYS   HG2    73 GLU  HB3      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 739, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#   59 LYS   HN     59 LYS  HG2      4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 506, r1= 1.30, r2= 1.80, r3= 4.87, r4= 5.37,  &end
#
#   59 LYS   HG2    60 GLU  HN       5.03
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 521, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
#   59 LYS   HA     59 LYS  HG2      4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 506, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,  &end
#
#   68 ALA   QB     69 PHE  HN       3.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 657, 658, 659,
 &end
#
#   64 LEU   HN     68 ALA  QB       4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 593,  -1, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,
 igr2= 657, 658, 659,
 &end
#
#   39 PHE   HD     68 ALA  QB       4.30
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 202, 210,
 igr2= 657, 658, 659,
 &end
#
#   39 PHE   HE     68 ALA  QB       4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 204, 208,
 igr2= 657, 658, 659,
 &end
#
#   48 LEU   QD1    68 ALA  QB       4.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr1= 342, 343, 344,
 igr2= 657, 658, 659,
 &end
#
#   35 PHE   HD     37 ARG  HG3      4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 164, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr1= 128, 136,
 &end
#
#   37 ARG   HG3    38 PRO  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 190, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 ARG   HG2    38 PRO  QD       5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 181, 182,
 &end
#
#   35 PHE   HN     97 VAL  QG1      5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 120,  -1, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr2=1089,1090,1091,
 &end
#
#   82 ILE   HN     97 VAL  QG1      4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2=1089,1090,1091,
 &end
#
#   86 HIS   HN     97 VAL  QG1      4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 917,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr2=1089,1090,1091,
 &end
#
#   34 LEU   HA     97 VAL  QG1      4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 103,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1089,1090,1091,
 &end
#
#   82 ILE   HA     97 VAL  QG1      3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 4.37, r4= 4.87,
 igr2=1089,1090,1091,
 &end
#
#   82 ILE   HG13   97 VAL  QG1      4.34
 &rst
  ixpk= 0, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr2=1089,1090,1091,
 &end
#
#   82 ILE   HG12   97 VAL  QG1      3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 862,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2=1089,1090,1091,
 &end
#
#   34 LEU   QD1    82 ILE  HA       5.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 110, 111, 112,
 &end
#
#   34 LEU   QD1    72 PHE  HB2      5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 110, 111, 112,
 &end
#
#   52 PHE   HZ     97 VAL  QG1      4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 5.61, r4= 6.11,
 igr2=1089,1090,1091,
 &end
#
#   34 LEU   QD1    55 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 110, 111, 112,
 igr2= 449, 457,
 &end
#
#   34 LEU   HN     34 LEU  QD1      4.87
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2= 110, 111, 112,
 &end
#
#   34 LEU   QD1    35 PHE  HN       4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 120, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 110, 111, 112,
 &end
#
#   34 LEU   QD1   100 SER  HN       4.56
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1= 110, 111, 112,
 &end
#
#   34 LEU   QD1    98 VAL  HN       4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 5.57, r4= 6.07,
 igr1= 110, 111, 112,
 &end
#
#   34 LEU   QD1    82 ILE  HN       4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 852, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1= 110, 111, 112,
 &end
#
#   34 LEU   QD1    72 PHE  HD       3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 110, 111, 112,
 igr2= 722, 730,
 &end
#
#   34 LEU   QD1    78 ALA  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 110, 111, 112,
 &end
#
#   38 PRO   QG     95 LEU  HA       5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1= 184, 185,
 &end
#
#   38 PRO   QG     93 GLN  HG3      4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1026, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,
 igr1= 184, 185,
 &end
#
#   85 VAL   HN     85 VAL  QG1      3.56
 &rst
  ixpk= 0, nxpk= 0, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,
 igr2= 907, 908, 909,
 &end
#
#   85 VAL   QG1    86 HIS  HN       4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 907, 908, 909,
 &end
#
#   52 PHE   HA     85 VAL  QG1      5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 907, 908, 909,
 &end
#
#   85 VAL   HA     85 VAL  QG1      3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr2= 907, 908, 909,
 &end
#
#   38 PRO   QG     39 PHE  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 194, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 184, 185,
 &end
#
#   38 PRO   QG     95 LEU  QD1      5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.13, r4= 7.63,
 igr1= 184, 185,
 igr2=1058,1059,1060,
 &end
#
#   36 VAL   QG2    96 GLU  HN       5.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 150, 151, 152,
 &end
#
#   35 PHE   HN     36 VAL  QG2      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 120,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2= 150, 151, 152,
 &end
#
#   36 VAL   HN     36 VAL  QG2      4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 5.55, r4= 6.05,
 igr2= 150, 151, 152,
 &end
#
#   36 VAL   QG2    37 ARG  HN       3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr1= 150, 151, 152,
 &end
#
#   36 VAL   QG2    98 VAL  HN       5.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 150, 151, 152,
 &end
#
#   36 VAL   QG2    97 VAL  HA       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 150, 151, 152,
 &end
#
#   36 VAL   QG2    95 LEU  HA       4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1051, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr1= 150, 151, 152,
 &end
#
#   36 VAL   QG2    70 VAL  HB       4.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1= 150, 151, 152,
 &end
#
#   36 VAL   QG2    95 LEU  QD1      3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,
 igr1= 150, 151, 152,
 igr2=1058,1059,1060,
 &end
#
#   36 VAL   QG2    70 VAL  QG1      4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 150, 151, 152,
 igr2= 689, 690, 691,
 &end
#
#   37 ARG   HN     95 LEU  QD1      5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2=1058,1059,1060,
 &end
#
#   39 PHE   HE     95 LEU  QD1      4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 204, 208,
 igr2=1058,1059,1060,
 &end
#
#   95 LEU   QD1    96 GLU  HN       4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1068, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1=1058,1059,1060,
 &end
#
#   95 LEU   HN     95 LEU  QD1      4.39
 &rst
  ixpk= 0, nxpk= 0, iat=1049,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2=1058,1059,1060,
 &end
#
#   90 PHE   HD     95 LEU  QD1      4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 982, 990,
 igr2=1058,1059,1060,
 &end
#
#   39 PHE   HD     95 LEU  QD1      4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr1= 202, 210,
 igr2=1058,1059,1060,
 &end
#
#   95 LEU   HA     95 LEU  QD1      3.40
 &rst
  ixpk= 0, nxpk= 0, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr2=1058,1059,1060,
 &end
#
#   38 PRO   QD     95 LEU  QD1      3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr1= 181, 182,
 igr2=1058,1059,1060,
 &end
#
#   90 PHE   HB3    95 LEU  QD1      3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2=1058,1059,1060,
 &end
#
#   90 PHE   HB2    95 LEU  QD1      4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2=1058,1059,1060,
 &end
#
#   91 ALA   QB     95 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 998, 999,1000,
 igr2=1058,1059,1060,
 &end
#
#   95 LEU   HB2    95 LEU  QD1      3.75
 &rst
  ixpk= 0, nxpk= 0, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr2=1058,1059,1060,
 &end
#
#   41 LEU   QD1    66 GLY  HN       4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 626, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 237, 238, 239,
 &end
#
#   41 LEU   QD1    65 ASN  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 612, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 237, 238, 239,
 &end
#
#   32 THR   QG2    75 ALA  HN       4.89
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,
 igr1=  69,  70,  71,
 &end
#
#   32 THR   QG2    72 PHE  HN       4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=  69,  70,  71,
 &end
#
#   32 THR   HN     32 THR  QG2      4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2=  69,  70,  71,
 &end
#
#   32 THR   QG2    72 PHE  HD       5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.92, r4= 7.42,
 igr1=  69,  70,  71,
 igr2= 722, 730,
 &end
#
#   31 ASN   HB3    32 THR  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  69,  70,  71,
 &end
#
#   32 THR   QG2    72 PHE  HB2      4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 718, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1=  69,  70,  71,
 &end
#
#   32 THR   QG2    78 ALA  QB       4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1=  69,  70,  71,
 igr2= 804, 805, 806,
 &end
#
#   32 THR   QG2    75 ALA  QB       3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1=  69,  70,  71,
 igr2= 768, 769, 770,
 &end
#
#   41 LEU   HA     41 LEU  QD1      3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr2= 237, 238, 239,
 &end
#
#   43 VAL   QG2    44 GLN  HN       3.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 275, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
 igr1= 269, 270, 271,
 &end
#
#   39 PHE   HD     43 VAL  QG2      4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 202, 210,
 igr2= 269, 270, 271,
 &end
#
#   43 VAL   QG2    47 GLU  HB3      4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr1= 269, 270, 271,
 &end
#
#   61 VAL   HA     61 VAL  QG2      3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,
 igr2= 546, 547, 548,
 &end
#
#   61 VAL   QG2    70 VAL  QG2      3.52
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 546, 547, 548,
 igr2= 693, 694, 695,
 &end
#
#   61 VAL   QG2    70 VAL  QG1      3.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr1= 546, 547, 548,
 igr2= 689, 690, 691,
 &end
#
#   61 VAL   HN     61 VAL  QG2      3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 546, 547, 548,
 &end
#
#   61 VAL   QG1    62 LYS  HN       3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 552, r1= 1.30, r2= 1.80, r3= 4.70, r4= 5.20,
 igr1= 542, 543, 544,
 &end
#
#   61 VAL   QG1    63 ILE  HN       4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1= 542, 543, 544,
 &end
#
#   61 VAL   HN     61 VAL  QG1      4.59
 &rst
  ixpk= 0, nxpk= 0, iat= 536,  -1, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr2= 542, 543, 544,
 &end
#
#   48 LEU   HN     48 LEU  QD1      4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 342, 343, 344,
 &end
#
#   61 VAL   HA     61 VAL  QG1      3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 4.31, r4= 4.81,
 igr2= 542, 543, 544,
 &end
#
#   61 VAL   QG1    70 VAL  HA       4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 542, 543, 544,
 &end
#
#   45 GLU   QG     61 VAL  QG1      3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 299, 300,
 igr2= 542, 543, 544,
 &end
#
#   48 LEU   HB3    48 LEU  QD1      3.97
 &rst
  ixpk= 0, nxpk= 0, iat= 338,  -1, r1= 1.30, r2= 1.80, r3= 4.77, r4= 5.27,
 igr2= 342, 343, 344,
 &end
#
#   48 LEU   HB2    48 LEU  QD1      3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 4.74, r4= 5.24,
 igr2= 342, 343, 344,
 &end
#
#   97 VAL   HN     98 VAL  QG2      4.66
 &rst
  ixpk= 0, nxpk= 0, iat=1083,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2=1109,1110,1111,
 &end
#
#   98 VAL   QG2    99 TYR  HN       3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1109,1110,1111,
 &end
#
#   97 VAL   HB     98 VAL  QG2      4.50
 &rst
  ixpk= 0, nxpk= 0, iat=1087,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1109,1110,1111,
 &end
#
#   96 GLU   HG2    98 VAL  QG2      4.93
 &rst
  ixpk= 0, nxpk= 0, iat=1075,  -1, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr2=1109,1110,1111,
 &end
#
#   82 ILE   HG13   98 VAL  QG2      3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1109,1110,1111,
 &end
#
#   82 ILE   QG2    98 VAL  QG2      3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.02, r4= 5.52,
 igr1= 858, 859, 860,
 igr2=1109,1110,1111,
 &end
#
#   82 ILE   QD1    98 VAL  QG2      3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,
 igr1= 865, 866, 867,
 igr2=1109,1110,1111,
 &end
#
#   82 ILE   HN     97 VAL  QG2      5.46
 &rst
  ixpk= 0, nxpk= 0, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 6.56, r4= 7.06,
 igr2=1093,1094,1095,
 &end
#
#   85 VAL   HN     85 VAL  QG2      4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 901,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr2= 911, 912, 913,
 &end
#
#   34 LEU   HA     97 VAL  QG2      4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 103,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2=1093,1094,1095,
 &end
#
#   95 LEU   HA     97 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1093,1094,1095,
 &end
#
#   86 HIS   HA     97 VAL  QG2      3.66
 &rst
  ixpk= 0, nxpk= 0, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr2=1093,1094,1095,
 &end
#
#   34 LEU   HB2    97 VAL  QG2      3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 4.49, r4= 4.99,
 igr2=1093,1094,1095,
 &end
#
#   97 VAL   HN     97 VAL  QG2      4.12
 &rst
  ixpk= 0, nxpk= 0, iat=1083,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr2=1093,1094,1095,
 &end
#
#   96 GLU   HN     97 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1068,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1093,1094,1095,
 &end
#
#   87 GLY   HN     97 VAL  QG2      4.65
 &rst
  ixpk= 0, nxpk= 0, iat= 934,  -1, r1= 1.30, r2= 1.80, r3= 5.58, r4= 6.08,
 igr2=1093,1094,1095,
 &end
#
#   97 VAL   QG2    98 VAL  HN       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1099, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1093,1094,1095,
 &end
#
#   85 VAL   QG2    86 HIS  HN       4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 917, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr1= 911, 912, 913,
 &end
#
#   55 PHE   HZ     85 VAL  QG2      4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 911, 912, 913,
 &end
#
#   86 HIS   HB2    97 VAL  QG2      4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=1093,1094,1095,
 &end
#
#   95 LEU   QD1    97 VAL  QG2      4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1058,1059,1060,
 igr2=1093,1094,1095,
 &end
#
#   51 ILE   QG2    85 VAL  QG2      5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.82, r4= 8.32,
 igr1= 387, 388, 389,
 igr2= 911, 912, 913,
 &end
#
#   34 LEU   HN     70 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 689, 690, 691,
 &end
#
#   52 PHE   HN     70 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 689, 690, 691,
 &end
#
#   61 VAL   HA     70 VAL  QG1      4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 538,  -1, r1= 1.30, r2= 1.80, r3= 5.38, r4= 5.88,
 igr2= 689, 690, 691,
 &end
#
#   70 VAL   QG1    71 GLU  HN       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 699, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 689, 690, 691,
 &end
#
#   70 VAL   HN     70 VAL  QG1      4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 683,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 689, 690, 691,
 &end
#
#   52 PHE   HD     70 VAL  QG1      4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 408, 416,
 igr2= 689, 690, 691,
 &end
#
#   48 LEU   QD2    70 VAL  QG1      3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 346, 347, 348,
 igr2= 689, 690, 691,
 &end
#
#   70 VAL   QG1    71 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 701, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 689, 690, 691,
 &end
#
#   52 PHE   HB3    70 VAL  QG1      4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2= 689, 690, 691,
 &end
#
#   39 PHE   HN     43 VAL  QG1      4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 194,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 265, 266, 267,
 &end
#
#   39 PHE   HD     43 VAL  QG1      4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1= 202, 210,
 igr2= 265, 266, 267,
 &end
#
#   43 VAL   QG1    66 GLY  HA3      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 265, 266, 267,
 &end
#
#   39 PHE   HB3    43 VAL  QG1      5.04
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr2= 265, 266, 267,
 &end
#
#   42 ASP   HB2    43 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 251,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 265, 266, 267,
 &end
#
#   43 VAL   QG1    47 GLU  HB3      5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 323, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr1= 265, 266, 267,
 &end
#
#   43 VAL   QG1    48 LEU  QD2      4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 265, 266, 267,
 igr2= 346, 347, 348,
 &end
#
#   34 LEU   HN     70 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 693, 694, 695,
 &end
#
#   52 PHE   HD     70 VAL  QG2      4.57
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1= 408, 416,
 igr2= 693, 694, 695,
 &end
#
#   52 PHE   HZ     70 VAL  QG2      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr2= 693, 694, 695,
 &end
#
#   34 LEU   HA     70 VAL  QG2      5.28
 &rst
  ixpk= 0, nxpk= 0, iat= 103,  -1, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr2= 693, 694, 695,
 &end
#
#   52 PHE   HB3    70 VAL  QG2      5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr2= 693, 694, 695,
 &end
#
#   61 VAL   HB     70 VAL  QG2      4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr2= 693, 694, 695,
 &end
#
#   35 PHE   HN     98 VAL  QG1      4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 120,  -1, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr2=1105,1106,1107,
 &end
#
#   98 VAL   QG1    99 TYR  HN       3.40
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1115, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=1105,1106,1107,
 &end
#
#   34 LEU   HA     98 VAL  QG1      4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 103,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr2=1105,1106,1107,
 &end
#
#   35 PHE   HB2    98 VAL  QG1      3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 124,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr2=1105,1106,1107,
 &end
#
#   75 ALA   QB     77 SER  HN       5.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 768, 769, 770,
 &end
#
#   81 ALA   QB     85 VAL  HN       5.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 901, r1= 1.30, r2= 1.80, r3= 6.28, r4= 6.78,
 igr1= 846, 847, 848,
 &end
#
#   81 ALA   HN     81 ALA  QB       3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 842,  -1, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr2= 846, 847, 848,
 &end
#
#   52 PHE   HD     81 ALA  QB       3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr1= 408, 416,
 igr2= 846, 847, 848,
 &end
#
#   55 PHE   HD     81 ALA  QB       4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 449, 457,
 igr2= 846, 847, 848,
 &end
#
#   52 PHE   HA     81 ALA  QB       5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,
 igr2= 846, 847, 848,
 &end
#
#   82 ILE   QG2    86 HIS  HB2      5.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr1= 858, 859, 860,
 &end
#
#   81 ALA   QB     84 GLU  HB2      4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 846, 847, 848,
 &end
#
#   34 LEU   QD2    81 ALA  QB       3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 114, 115, 116,
 igr2= 846, 847, 848,
 &end
#
#   34 LEU   QD1    81 ALA  QB       5.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1= 110, 111, 112,
 igr2= 846, 847, 848,
 &end
#
#   75 ALA   QB     76 GLU  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 774, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 768, 769, 770,
 &end
#
#   75 ALA   QB     79 ALA  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 810, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 768, 769, 770,
 &end
#
#   75 ALA   QB     78 ALA  HN       4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 800, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 768, 769, 770,
 &end
#
#   75 ALA   QB     76 GLU  HG2      5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 781, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 768, 769, 770,
 &end
#
#   77 SER   HB2    78 ALA  QB       5.29
 &rst
  ixpk= 0, nxpk= 0, iat= 793,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr2= 804, 805, 806,
 &end
#
#   34 LEU   HN     78 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 804, 805, 806,
 &end
#
#   72 PHE   HN     78 ALA  QB       4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr2= 804, 805, 806,
 &end
#
#   78 ALA   QB     80 LYS  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 804, 805, 806,
 &end
#
#   72 PHE   HD     78 ALA  QB       3.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr1= 722, 730,
 igr2= 804, 805, 806,
 &end
#
#   78 ALA   HN     78 ALA  QB       3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 800,  -1, r1= 1.30, r2= 1.80, r3= 4.25, r4= 4.75,
 igr2= 804, 805, 806,
 &end
#
#   78 ALA   QB     99 TYR  HE       3.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1= 804, 805, 806,
 igr2=1125,1130,
 &end
#
#   78 ALA   QB     79 ALA  HA       4.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 812, r1= 1.30, r2= 1.80, r3= 5.51, r4= 6.01,
 igr1= 804, 805, 806,
 &end
#
#   34 LEU   QD1    78 ALA  QB       4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 110, 111, 112,
 igr2= 804, 805, 806,
 &end
#
#   79 ALA   HN     79 ALA  QB       3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 810,  -1, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,
 igr2= 814, 815, 816,
 &end
#
#   79 ALA   QB     80 LYS  HN       3.49
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,
 igr1= 814, 815, 816,
 &end
#
#   79 ALA   QB     83 GLU  HN       5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 871, r1= 1.30, r2= 1.80, r3= 6.34, r4= 6.84,
 igr1= 814, 815, 816,
 &end
#
#   78 ALA   HN     79 ALA  QB       4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 800,  -1, r1= 1.30, r2= 1.80, r3= 5.76, r4= 6.26,
 igr2= 814, 815, 816,
 &end
#
#   79 ALA   QB     99 TYR  HE       5.36
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.23, r4= 7.73,
 igr1= 814, 815, 816,
 igr2=1125,1130,
 &end
#
#   79 ALA   QB     80 LYS  QE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 814, 815, 816,
 igr2= 833, 834,
 &end
#
#   63 ILE   HN     63 ILE  QG2      4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 580, 581, 582,
 &end
#
#   63 ILE   QG2    64 LEU  HN       3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 593, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 580, 581, 582,
 &end
#
#   63 ILE   QG2    68 ALA  HA       4.70
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 5.64, r4= 6.14,
 igr1= 580, 581, 582,
 &end
#
#   63 ILE   QG2    63 ILE  QD1      3.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1= 580, 581, 582,
 igr2= 587, 588, 589,
 &end
#
#   63 ILE   HA     63 ILE  QG2      3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,
 igr2= 580, 581, 582,
 &end
#
#   82 ILE   QD1    98 VAL  HB       4.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1103, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 865, 866, 867,
 &end
#
#   82 ILE   QD1    83 GLU  HG2      4.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 878, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 865, 866, 867,
 &end
#
#   82 ILE   HB     82 ILE  QD1      3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 856,  -1, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,
 igr2= 865, 866, 867,
 &end
#
#   51 ILE   QG2    52 PHE  HD       4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr1= 387, 388, 389,
 igr2= 408, 416,
 &end
#
#   51 ILE   QG2    55 PHE  HD       4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,
 igr1= 387, 388, 389,
 igr2= 449, 457,
 &end
#
#   51 ILE   HN     51 ILE  QG2      3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 387, 388, 389,
 &end
#
#   48 LEU   HA     51 ILE  QG2      4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr2= 387, 388, 389,
 &end
#
#   51 ILE   QG2    52 PHE  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 387, 388, 389,
 &end
#
#   51 ILE   QG2    51 ILE  HG13     3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr1= 387, 388, 389,
 &end
#
#   51 ILE   QG2    85 VAL  QG1      3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 387, 388, 389,
 igr2= 907, 908, 909,
 &end
#
#   58 MET   HN     58 MET  QE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 482,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 493, 494, 495,
 &end
#
#   58 MET   QE     59 LYS  HN       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 493, 494, 495,
 &end
#
#   52 PHE   HN     58 MET  QE       4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2= 493, 494, 495,
 &end
#
#   49 ASN   HND1   58 MET  QE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 361,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 493, 494, 495,
 &end
#
#   52 PHE   HA     58 MET  QE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 493, 494, 495,
 &end
#
#   52 PHE   HB3    58 MET  QE       4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 493, 494, 495,
 &end
#
#   48 LEU   QD1    58 MET  QE       4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.68, r4= 7.18,
 igr1= 342, 343, 344,
 igr2= 493, 494, 495,
 &end
#
#   82 ILE   HN     82 ILE  QD1      4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 852,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 865, 866, 867,
 &end
#
#   82 ILE   QD1    83 GLU  HN       4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 871, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 865, 866, 867,
 &end
#
#   49 ASN   HN     58 MET  QE       5.14
 &rst
  ixpk= 0, nxpk= 0, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 493, 494, 495,
 &end
#
#   53 GLY   HN     58 MET  QE       4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr2= 493, 494, 495,
 &end
#
#   50 GLU   HN     58 MET  QE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 493, 494, 495,
 &end
#
#   52 PHE   HD     58 MET  QE       4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,
 igr1= 408, 416,
 igr2= 493, 494, 495,
 &end
#
#   55 PHE   HD     58 MET  QE       4.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.65, r4= 7.15,
 igr1= 449, 457,
 igr2= 493, 494, 495,
 &end
#
#   51 ILE   HN     58 MET  QE       5.10
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 493, 494, 495,
 &end
#
#   58 MET   HA     58 MET  QE       4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 493, 494, 495,
 &end
#
#   49 ASN   HA     58 MET  QE       3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 493, 494, 495,
 &end
#
#   48 LEU   HA     58 MET  QE       5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 493, 494, 495,
 &end
#
#   52 PHE   HB2    58 MET  QE       3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 493, 494, 495,
 &end
#
#   58 MET   QE     61 VAL  QG2      3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr1= 493, 494, 495,
 igr2= 546, 547, 548,
 &end
#
#   58 MET   QE     70 VAL  QG1      3.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.41, r4= 5.91,
 igr1= 493, 494, 495,
 igr2= 689, 690, 691,
 &end
#
#   38 PRO   QD     91 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 181, 182,
 igr2= 998, 999,1000,
 &end
#
#   90 PHE   HN     91 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 974,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 998, 999,1000,
 &end
#
#   90 PHE   HD     91 ALA  QB       3.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr1= 982, 990,
 igr2= 998, 999,1000,
 &end
#
#   91 ALA   QB     93 GLN  HG2      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 998, 999,1000,
 &end
#
#   91 ALA   QB     95 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 998, 999,1000,
 igr2=1062,1063,1064,
 &end
#
#   91 ALA   QB     93 GLN  HN       5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1018, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 998, 999,1000,
 &end
#
#   39 PHE   HA     91 ALA  QB       4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr2= 998, 999,1000,
 &end
#
#   91 ALA   QB     92 ASN  HB3      4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1009, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1= 998, 999,1000,
 &end
#
#   90 PHE   HB3    91 ALA  QB       5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 979,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr2= 998, 999,1000,
 &end
#
#   38 PRO   HB3    91 ALA  QB       4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 998, 999,1000,
 &end
#
#   63 ILE   HN     63 ILE  QD1      4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,
 igr2= 587, 588, 589,
 &end
#
#   49 ASN   HN     63 ILE  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 352,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 587, 588, 589,
 &end
#
#   48 LEU   HN     63 ILE  QD1      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 333,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2= 587, 588, 589,
 &end
#
#   63 ILE   HA     63 ILE  QD1      4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr2= 587, 588, 589,
 &end
#
#   63 ILE   HB     63 ILE  QD1      3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 578,  -1, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,
 igr2= 587, 588, 589,
 &end
#
#   61 VAL   QG1    63 ILE  QD1      3.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,
 igr1= 542, 543, 544,
 igr2= 587, 588, 589,
 &end
#
#   51 ILE   QD1    90 PHE  HD       3.90
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr1= 394, 395, 396,
 igr2= 982, 990,
 &end
#
#   51 ILE   HN     51 ILE  QD1      3.89
 &rst
  ixpk= 0, nxpk= 0, iat= 381,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 394, 395, 396,
 &end
#
#   39 PHE   HD     51 ILE  QD1      4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1= 202, 210,
 igr2= 394, 395, 396,
 &end
#
#   39 PHE   HE     51 ILE  QD1      4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 204, 208,
 igr2= 394, 395, 396,
 &end
#
#   51 ILE   QD1    90 PHE  HB2      5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr1= 394, 395, 396,
 &end
#
#   47 GLU   HB3    51 ILE  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 323,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 394, 395, 396,
 &end
#
#   51 ILE   QD1    95 LEU  QD1      4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 394, 395, 396,
 igr2=1058,1059,1060,
 &end
#
#   51 ILE   QG2    51 ILE  QD1      3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.98, r4= 5.48,
 igr1= 387, 388, 389,
 igr2= 394, 395, 396,
 &end
#
#   51 ILE   QD1    52 PHE  HN       5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 394, 395, 396,
 &end
#
#   47 GLU   HA     51 ILE  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 394, 395, 396,
 &end
#
#   86 HIS   HE1    96 GLU  HB3      5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 927,1073, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,  &end
#
#   86 HIS   HE1    96 GLU  HA       4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 927,1070, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,  &end
#
#   86 HIS   HA     86 HIS  HE1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 927, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   86 HIS   HE1    96 GLU  HG3      4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 927,1076, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
#   86 HIS   HE1    96 GLU  HG2      4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 927,1075, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
#   82 ILE   QG2    86 HIS  HE1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 858, 859, 860,
 &end
#
#   86 HIS   HE1    98 VAL  QG2      5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2=1109,1110,1111,
 &end
#
#   55 PHE   HE     84 GLU  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 891, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 451, 455,
 &end
#
#   52 PHE   HB3    55 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 451, 455,
 &end
#
#   54 PRO   QG     55 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 431, 432,
 igr2= 451, 455,
 &end
#
#   55 PHE   HE     85 VAL  QG1      5.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1= 451, 455,
 igr2= 907, 908, 909,
 &end
#
#   68 ALA   HA     69 PHE  HE       5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 673, 677,
 &end
#
#   52 PHE   HE     55 PHE  HD       4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 410, 414,
 igr2= 449, 457,
 &end
#
#   90 PHE   HD     91 ALA  HA       4.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 996, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 982, 990,
 &end
#
#   38 PRO   HB3    90 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 982, 990,
 &end
#
#   51 ILE   QG2    90 PHE  HD       5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr1= 387, 388, 389,
 igr2= 982, 990,
 &end
#
#   54 PRO   QG     55 PHE  HD       5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1= 431, 432,
 igr2= 449, 457,
 &end
#
#   55 PHE   HD     56 GLY  QA       5.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 449, 457,
 igr2= 463, 464,
 &end
#
#   90 PHE   HA     90 PHE  HZ       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 976, 986, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 PHE   HA     69 PHE  HZ       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 675, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 PHE   HD    100 SER  HA       5.45
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 671, 679,
 &end
#
#   64 LEU   QD2    69 PHE  HD       4.91
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.62, r4= 7.12,
 igr1= 606, 607, 608,
 igr2= 671, 679,
 &end
#
#   68 ALA   HA     69 PHE  HD       5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,
 igr2= 671, 679,
 &end
#
#   52 PHE   HA     55 PHE  HZ       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 402, 453, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 PHE   HZ     81 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 846, 847, 848,
 &end
#
#   55 PHE   HZ     85 VAL  QG1      5.39
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 6.47, r4= 6.97,
 igr2= 907, 908, 909,
 &end
#
#   52 PHE   HE     58 MET  QE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 410, 414,
 igr2= 493, 494, 495,
 &end
#
#   51 ILE   HB     52 PHE  HE       4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 410, 414,
 &end
#
#   29 LEU   QD1    99 TYR  HD       4.55
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1=  28,  29,  30,
 igr2=1123,1132,
 &end
#
#   59 LYS   HA     72 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 501,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 730,
 &end
#
#   51 ILE   QD1    52 PHE  HE       5.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 394, 395, 396,
 igr2= 410, 414,
 &end
#
#   36 VAL   HB     52 PHE  HZ       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 LEU   HB3    52 PHE  HZ       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 LEU   HB2    52 PHE  HZ       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   52 PHE   HZ     97 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1093,1094,1095,
 &end
#
#   36 VAL   QG1    52 PHE  HZ       5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr1= 146, 147, 148,
 &end
#
#   86 HIS   HA     86 HIS  HD2      4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 919, 930, r1= 1.30, r2= 1.80, r3= 4.45, r4= 4.95,  &end
#
#   65 ASN   HND1   67 PHE  HD       4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 5.35, r4= 5.85,
 igr2= 641, 649,
 &end
#
#   64 LEU   HB2    65 ASN  HND1     4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 621, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,  &end
#
#   43 VAL   HA     44 GLN  HNE1     5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 261, 287, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   51 ILE   HB     90 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 385,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 984, 988,
 &end
#
#   67 PHE   HA     67 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 641, 649,
 &end
#
#   37 ARG   HA     67 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 641, 649,
 &end
#
#   30 SER   HA     31 ASN  HND1     5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  58, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
#   37 ARG   HD2    67 PHE  HD       4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 166,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr2= 641, 649,
 &end
#
#   38 PRO   HB3    92 ASN  HND1     5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 188,1013, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#   37 ARG   HB3    67 PHE  HD       4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 161,  -1, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr2= 641, 649,
 &end
#
#   64 LEU   HB3    67 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 598,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 641, 649,
 &end
#
#   70 VAL   QG1    72 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 689, 690, 691,
 igr2= 724, 728,
 &end
#
#   66 GLY   HA2    67 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 643, 647,
 &end
#
#   37 ARG   HB2    67 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 643, 647,
 &end
#
#   67 PHE   HA     67 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 635,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 643, 647,
 &end
#
#   39 PHE   HD     90 PHE  HD       5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr1= 202, 210,
 igr2= 982, 990,
 &end
#
#   39 PHE   HD     66 GLY  HA3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 202, 210,
 &end
#
#   39 PHE   HD     91 ALA  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 996, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 202, 210,
 &end
#
#   31 ASN   HB3    99 TYR  HE       5.29
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr2=1125,1130,
 &end
#
#   82 ILE   HG13   99 TYR  HE       5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 863,  -1, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr2=1125,1130,
 &end
#
#   98 VAL   QG2    99 TYR  HE       5.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1=1109,1110,1111,
 igr2=1125,1130,
 &end
#
#   82 ILE   QD1    99 TYR  HE       4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 865, 866, 867,
 igr2=1125,1130,
 &end
#
#   39 PHE   HE     90 PHE  HD       5.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 204, 208,
 igr2= 982, 990,
 &end
#
#   39 PHE   HE     51 ILE  QG2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.18, r4= 7.68,
 igr1= 204, 208,
 igr2= 387, 388, 389,
 &end
#
#   68 ALA   HA     69 PHE  HA       5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 665, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   61 VAL   HA     69 PHE  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 665, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 PHE   HA    100 SER  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 665,1140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   33 ARG   HB3    71 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  82, 701, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 LYS   QE     71 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 701, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 512, 513,
 &end
#
#   35 PHE   HA     35 PHE  HD       5.07
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr2= 128, 136,
 &end
#
#   39 PHE   HD     67 PHE  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 202, 210,
 &end
#
#   35 PHE   HA     69 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 122,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 671, 679,
 &end
#
#   99 TYR   HA     99 TYR  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1125,1130,
 &end
#
#   99 TYR   HA     99 TYR  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1123,1132,
 &end
#
#   36 VAL   HA     52 PHE  HZ       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 412, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 VAL   HA     39 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 204, 208,
 &end
#
#   36 VAL   HA     95 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 142,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1058,1059,1060,
 &end
#
#   62 LYS   HB3    68 ALA  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 655, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 PHE   HA     39 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 204, 208,
 &end
#
#   39 PHE   HA     40 PRO  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 222, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   39 PHE   HA     90 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 196,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 982, 990,
 &end
#
#   52 PHE   HA     55 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 451, 455,
 &end
#
#   51 ILE   HA     52 PHE  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 402, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   38 PRO   HA     39 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 202, 210,
 &end
#
#   39 PHE   HD     40 PRO  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 224, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 202, 210,
 &end
#
#   31 ASN   HA     31 ASN  HND2     4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  59, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,  &end
#
#   31 ASN   HA     75 ALA  QB       5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2= 768, 769, 770,
 &end
#
#   29 LEU   HA     29 LEU  QD2      4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2=  32,  33,  34,
 &end
#
#   64 LEU   HA     69 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 673, 677,
 &end
#
#   58 MET   HA     70 VAL  QG2      5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 6.40, r4= 6.90,
 igr2= 693, 694, 695,
 &end
#
#   35 PHE   HB3   100 SER  HA       2.83
 &rst
  ixpk= 0, nxpk= 0, iat= 125,1138, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
#   57 PRO   QB     58 MET  HA       5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 475, 476,
 &end
#
#   58 MET   HA     72 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 724, 728,
 &end
#
#   58 MET   HA     59 LYS  HA       4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 501, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
#   90 PHE   HA     90 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 984, 988,
 &end
#
#   37 ARG   HA     67 PHE  HB3      5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 638, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#   37 ARG   HA     37 ARG  HD3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 167, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 PHE   HE     84 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 451, 455,
 &end
#
#   83 GLU   QB     84 GLU  HA       4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 888, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 875, 876,
 &end
#
#   52 PHE   HE     70 VAL  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 410, 414,
 &end
#
#   41 LEU   QD1    66 GLY  HA3      3.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 629, r1= 1.30, r2= 1.80, r3= 4.43, r4= 4.93,
 igr1= 237, 238, 239,
 &end
#
#   34 LEU   QD2    70 VAL  HA       3.68
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 4.42, r4= 4.92,
 igr1= 114, 115, 116,
 &end
#
#   62 LYS   HG3    70 VAL  HA       4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 685, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
#   55 PHE   HA     55 PHE  HE       4.81
 &rst
  ixpk= 0, nxpk= 0, iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 451, 455,
 &end
#
#   30 SER   HA     32 THR  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  69,  70,  71,
 &end
#
#   29 LEU   QD1    30 SER  HA       4.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  28,  29,  30,
 &end
#
#   29 LEU   HA     30 SER  HA       4.84
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  40, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
#   88 LYS   HA     88 LYS  QD       3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 943,  -1, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,
 igr2= 951, 952,
 &end
#
#   30 SER   HA     33 ARG  QD       4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2=  87,  88,
 &end
#
#   88 LYS   HA     88 LYS  HG2      4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 943, 948, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   65 ASN   HB2    66 GLY  HA2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 616, 628, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 THR   HB     75 ALA  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  67, 766, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 PRO   HA     55 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 437,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 449, 457,
 &end
#
#   86 HIS   HA     95 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1058,1059,1060,
 &end
#
#   86 HIS   HA     95 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1062,1063,1064,
 &end
#
#   92 ASN   HA     93 GLN  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1006,1020, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   76 GLU   HA     76 GLU  HG3      4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 776, 782, r1= 1.30, r2= 1.80, r3= 4.06, r4= 4.56,  &end
#
#   77 SER   HA     80 LYS  QG       3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 791,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr2= 827, 828,
 &end
#
#   92 ASN   HA     92 ASN  HND1     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1006,1013, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 LEU   HA     52 PHE  HE       4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 410, 414,
 &end
#
#   79 ALA   HA     99 TYR  HE       5.49
 &rst
  ixpk= 0, nxpk= 0, iat= 812,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=1125,1130,
 &end
#
#   77 SER   HA     80 LYS  QE       4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 791,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr2= 833, 834,
 &end
#
#   80 LYS   HA     84 GLU  HG2      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 893, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#   85 VAL   HA     88 LYS  QE       5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 903,  -1, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,
 igr2= 954, 955,
 &end
#
#   63 ILE   HA     64 LEU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 595, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 ILE   HA     69 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 673, 677,
 &end
#
#   63 ILE   HA     69 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 671, 679,
 &end
#
#   30 SER   HB2    31 ASN  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  51, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 LEU   HA     30 SER  HB2      5.30
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  42, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,  &end
#
#   30 SER   HB2    33 ARG  QG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=  84,  85,
 &end
#
#   29 LEU   HB3    30 SER  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  24,  42, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 LEU   QD2    30 SER  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  42, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  32,  33,  34,
 &end
#
#   33 ARG   QD    100 SER  HB2      5.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 5.72, r4= 6.22,
 igr1=  87,  88,
 &end
#
#   55 PHE   HE     81 ALA  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 844, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 451, 455,
 &end
#
#   52 PHE   HB3    52 PHE  HZ       5.80
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 412, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#   57 PRO   HD2    72 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 469,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 724, 728,
 &end
#
#   38 PRO   QD     95 LEU  HG       5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr1= 181, 182,
 &end
#
#   38 PRO   QD     95 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 181, 182,
 igr2=1062,1063,1064,
 &end
#
#   82 ILE   HA     82 ILE  QD1      4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 854,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr2= 865, 866, 867,
 &end
#
#   88 LYS   HA     88 LYS  QE       4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 943,  -1, r1= 1.30, r2= 1.80, r3= 5.26, r4= 5.76,
 igr2= 954, 955,
 &end
#
#   52 PHE   HB3    55 PHE  HB2      5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 445, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
#   39 PHE   HB3    43 VAL  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 261, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   32 THR   QG2    33 ARG  QD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  69,  70,  71,
 igr2=  87,  88,
 &end
#
#   90 PHE   HB3    94 PRO  HA       4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 979,1045, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,  &end
#
#   59 LYS   QE     72 PHE  HB3      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 512, 513,
 &end
#
#   59 LYS   HG3    59 LYS  QE       3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 4.15, r4= 4.65,
 igr2= 512, 513,
 &end
#
#   59 LYS   HA     59 LYS  QE       4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 501,  -1, r1= 1.30, r2= 1.80, r3= 5.42, r4= 5.92,
 igr2= 512, 513,
 &end
#
#   59 LYS   QE     72 PHE  HD       5.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.82, r4= 7.32,
 igr1= 512, 513,
 igr2= 722, 730,
 &end
#
#   39 PHE   HD     90 PHE  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 202, 210,
 &end
#
#   46 SER   QB     49 ASN  HB3      5.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 357, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1= 311, 312,
 &end
#
#   67 PHE   HB2    68 ALA  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 637, 655, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 PHE   HB2    97 VAL  HA       5.24
 &rst
  ixpk= 0, nxpk= 0, iat= 124,1085, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,  &end
#
#   41 LEU   QD2    65 ASN  HB3      5.21
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 617, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,
 igr1= 241, 242, 243,
 &end
#
#   48 LEU   HA     52 PHE  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 404, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   29 LEU   HG     99 TYR  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  26,1119, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 PHE   HD     58 MET  QG       5.24
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 449, 457,
 igr2= 489, 490,
 &end
#
#   49 ASN   HA     58 MET  QG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 354,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 489, 490,
 &end
#
#   55 PHE   HE     84 GLU  HG3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 451, 455,
 &end
#
#   55 PHE   HB2    84 GLU  HG3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 894, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   44 GLN   QG     46 SER  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 282, 283,
 igr2= 311, 312,
 &end
#
#   55 PHE   HE     84 GLU  HG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 893, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 451, 455,
 &end
#
#   55 PHE   HZ     84 GLU  HG2      5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 893, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,  &end
#
#   93 GLN   HG3    94 PRO  QD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1026,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1036,1037,
 &end
#
#   57 PRO   QB     72 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 475, 476,
 igr2= 724, 728,
 &end
#
#   92 ASN   HND1   93 GLN  HG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=1013,1025, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   43 VAL   QG1    47 GLU  HG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 265, 266, 267,
 &end
#
#   34 LEU   HA     97 VAL  HB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 103,1087, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   96 GLU   HG2    97 VAL  HA       5.37
 &rst
  ixpk= 0, nxpk= 0, iat=1075,1085, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
#   38 PRO   HB3    39 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 202, 210,
 &end
#
#   76 GLU   HB3    80 LYS  QE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 779,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 833, 834,
 &end
#
#   38 PRO   HB3    39 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 204, 208,
 &end
#
#   38 PRO   HB3    93 GLN  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 188,1020, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   54 PRO   QB     55 PHE  HA       4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,
 igr1= 434, 435,
 &end
#
#   54 PRO   QB     55 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 434, 435,
 igr2= 449, 457,
 &end
#
#   39 PHE   HB2    43 VAL  HB       3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 263, r1= 1.30, r2= 1.80, r3= 3.34, r4= 3.84,  &end
#
#   43 VAL   HB     48 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 263,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 346, 347, 348,
 &end
#
#   38 PRO   HB2    95 LEU  QD1      5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr2=1058,1059,1060,
 &end
#
#   86 HIS   HE1    96 GLU  HB2      5.36
 &rst
  ixpk= 0, nxpk= 0, iat= 927,1072, r1= 1.30, r2= 1.80, r3= 5.36, r4= 5.86,  &end
#
#   55 PHE   HD     84 GLU  HB2      5.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr1= 449, 457,
 &end
#
#   55 PHE   HE     84 GLU  HB2      5.20
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 890, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr1= 451, 455,
 &end
#
#   93 GLN   HB3    94 PRO  QD       4.31
 &rst
  ixpk= 0, nxpk= 0, iat=1023,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2=1036,1037,
 &end
#
#   59 LYS   QE     71 GLU  HB3      4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 704, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 512, 513,
 &end
#
#   62 LYS   HB3    69 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 673, 677,
 &end
#
#   36 VAL   HB     39 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 202, 210,
 &end
#
#   61 VAL   HB     70 VAL  QG1      5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 540,  -1, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr2= 689, 690, 691,
 &end
#
#   88 LYS   HB2    88 LYS  QD       3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2= 951, 952,
 &end
#
#   58 MET   HB2    58 MET  QE       4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 493, 494, 495,
 &end
#
#   61 VAL   HA     71 GLU  HB2      5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 703, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,  &end
#
#   59 LYS   QE     71 GLU  HB2      4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 703, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1= 512, 513,
 &end
#
#   34 LEU   HG     81 ALA  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 844, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 ARG   HB3    37 ARG  HD2      3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 161, 166, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
#   37 ARG   HB3    39 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 161,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 202, 210,
 &end
#
#   63 ILE   HB     68 ALA  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 655, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   37 ARG   HB2    37 ARG  HD2      3.37
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 166, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,  &end
#
#   55 PHE   HE     80 LYS  QG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1= 451, 455,
 igr2= 827, 828,
 &end
#
#   41 LEU   HB2    41 LEU  QD1      4.03
 &rst
  ixpk= 0, nxpk= 0, iat= 232,  -1, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr2= 237, 238, 239,
 &end
#
#   33 ARG   QG     34 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  84,  85,
 igr2= 110, 111, 112,
 &end
#
#   29 LEU   HB3    99 TYR  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  24,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2=1125,1130,
 &end
#
#   64 LEU   HG     69 PHE  HD       5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 5.89, r4= 6.39,
 igr2= 671, 679,
 &end
#
#   29 LEU   HB2    29 LEU  QD1      4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 4.89, r4= 5.39,
 igr2=  28,  29,  30,
 &end
#
#   64 LEU   HG     67 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 600,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 641, 649,
 &end
#
#   76 GLU   HG2    79 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 781,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 814, 815, 816,
 &end
#
#   79 ALA   QB     83 GLU  QB       5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.09, r4= 7.59,
 igr1= 814, 815, 816,
 igr2= 875, 876,
 &end
#
#   51 ILE   HB     54 PRO  HD3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 429, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   48 LEU   HB2    63 ILE  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 587, 588, 589,
 &end
#
#   59 LYS   QB     72 PHE  HD       4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 503, 504,
 igr2= 722, 730,
 &end
#
#   32 THR   HB     75 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  67,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 768, 769, 770,
 &end
#
#   59 LYS   QB     72 PHE  HA       4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 716, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 503, 504,
 &end
#
#   62 LYS   HG3    69 PHE  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 665, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 LYS   HG3    69 PHE  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 667, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 LYS   HG3    73 GLU  HG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 741, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 LYS   HG3    72 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr2= 722, 730,
 &end
#
#   59 LYS   HG3    73 GLU  HB3      5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 739, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,  &end
#
#   39 PHE   HD     91 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 202, 210,
 igr2= 998, 999,1000,
 &end
#
#   44 GLN   HA     48 LEU  HG       5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 340, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
#   39 PHE   HB3    91 ALA  QB       5.42
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 6.51, r4= 7.01,
 igr2= 998, 999,1000,
 &end
#
#   91 ALA   QB     92 ASN  HND2     5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1014, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 998, 999,1000,
 &end
#
#   39 PHE   HE     91 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 204, 208,
 igr2= 998, 999,1000,
 &end
#
#   52 PHE   HZ     70 VAL  HB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 687, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   47 GLU   HA     48 LEU  HG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 340, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   59 LYS   HG2    73 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 736, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   55 PHE   HE     81 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 451, 455,
 igr2= 846, 847, 848,
 &end
#
#   52 PHE   HE     81 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 410, 414,
 igr2= 846, 847, 848,
 &end
#
#   52 PHE   HZ     81 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 846, 847, 848,
 &end
#
#   51 ILE   QG2    81 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 387, 388, 389,
 igr2= 846, 847, 848,
 &end
#
#   80 LYS   HA     81 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 822,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 846, 847, 848,
 &end
#
#   34 LEU   HB2   100 SER  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 105,1140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 LEU   HB2    81 ALA  QB       4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr2= 846, 847, 848,
 &end
#
#   34 LEU   HB2    36 VAL  QG2      4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 105,  -1, r1= 1.30, r2= 1.80, r3= 5.63, r4= 6.13,
 igr2= 150, 151, 152,
 &end
#
#   34 LEU   HB2    70 VAL  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 VAL   QG2    52 PHE  HZ       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 150, 151, 152,
 &end
#
#   36 VAL   QG2    39 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 150, 151, 152,
 igr2= 204, 208,
 &end
#
#   86 HIS   HE1    98 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1105,1106,1107,
 &end
#
#   52 PHE   HD     97 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 408, 416,
 igr2=1093,1094,1095,
 &end
#
#   35 PHE   HD     98 VAL  QG1      4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 128, 136,
 igr2=1105,1106,1107,
 &end
#
#   63 ILE   QD1    68 ALA  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 587, 588, 589,
 igr2= 657, 658, 659,
 &end
#
#   32 THR   QG2    99 TYR  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=  69,  70,  71,
 igr2=1125,1130,
 &end
#
#   64 LEU   QD2    69 PHE  HE       4.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.43, r4= 6.93,
 igr1= 606, 607, 608,
 igr2= 673, 677,
 &end
#
#   31 ASN   HND2   32 THR  QG2      4.87
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,
 igr2=  69,  70,  71,
 &end
#
#   64 LEU   QD2    69 PHE  HZ       4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 675, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 606, 607, 608,
 &end
#
#   64 LEU   HA     64 LEU  QD2      4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 595,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 606, 607, 608,
 &end
#
#   32 THR   QG2    71 GLU  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 701, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  69,  70,  71,
 &end
#
#   30 SER   HB3    32 THR  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=  69,  70,  71,
 &end
#
#   64 LEU   QD1    69 PHE  HD       4.86
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 602, 603, 604,
 igr2= 671, 679,
 &end
#
#   51 ILE   HG12   90 PHE  HE       4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 984, 988,
 &end
#
#   64 LEU   QD1    68 ALA  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 602, 603, 604,
 &end
#
#   86 HIS   HD2    98 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 930,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1109,1110,1111,
 &end
#
#   58 MET   HB2    61 VAL  QG2      3.80
 &rst
  ixpk= 0, nxpk= 0, iat= 486,  -1, r1= 1.30, r2= 1.80, r3= 4.56, r4= 5.06,
 igr2= 546, 547, 548,
 &end
#
#   86 HIS   HA     97 VAL  QG1      5.44
 &rst
  ixpk= 0, nxpk= 0, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr2=1089,1090,1091,
 &end
#
#   90 PHE   HB3    95 LEU  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 979,1053, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   45 GLU   HA     61 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 546, 547, 548,
 &end
#
#   38 PRO   QD     95 LEU  HB2      5.46
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 6.13, r4= 6.63,
 igr1= 181, 182,
 &end
#
#   36 VAL   QG1    39 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 146, 147, 148,
 igr2= 204, 208,
 &end
#
#   34 LEU   QD2    52 PHE  HB3      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 405, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 114, 115, 116,
 &end
#
#   33 ARG   QG     34 LEU  QD2      4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=  84,  85,
 igr2= 114, 115, 116,
 &end
#
#   55 PHE   HD     85 VAL  QG1      4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 449, 457,
 igr2= 907, 908, 909,
 &end
#
#   84 GLU   HA     85 VAL  QG1      4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr2= 907, 908, 909,
 &end
#
#   85 VAL   QG1    86 HIS  HA       4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,
 igr1= 907, 908, 909,
 &end
#
#   34 LEU   QD2   100 SER  HB2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1140, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 114, 115, 116,
 &end
#
#   79 ALA   QB     82 ILE  QD1      4.10
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.91, r4= 6.41,
 igr1= 814, 815, 816,
 igr2= 865, 866, 867,
 &end
#
#   34 LEU   QD2    52 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 114, 115, 116,
 igr2= 408, 416,
 &end
#
#   82 ILE   QD1    83 GLU  QB       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 865, 866, 867,
 igr2= 875, 876,
 &end
#
#   34 LEU   QD2    52 PHE  HZ       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 114, 115, 116,
 &end
#
#   29 LEU   QD1    99 TYR  HA       5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1117, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=  28,  29,  30,
 &end
#
#   29 LEU   QD1   100 SER  HA       4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  28,  29,  30,
 &end
#
#   48 LEU   QD2    63 ILE  QG2      5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.25, r4= 7.75,
 igr1= 346, 347, 348,
 igr2= 580, 581, 582,
 &end
#
#   45 GLU   HA     63 ILE  QG2      5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2= 580, 581, 582,
 &end
#
#   48 LEU   QD1    52 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 342, 343, 344,
 igr2= 408, 416,
 &end
#
#   61 VAL   QG1    68 ALA  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 542, 543, 544,
 &end
#
#   48 LEU   HA     48 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 335,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 342, 343, 344,
 &end
#
#   45 GLU   HA     48 LEU  QD1      5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr2= 342, 343, 344,
 &end
#
#   88 LYS   HA     95 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 943,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2=1062,1063,1064,
 &end
#
#   88 LYS   QE     95 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 954, 955,
 igr2=1062,1063,1064,
 &end
#
#   51 ILE   QD1    52 PHE  HD       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 394, 395, 396,
 igr2= 408, 416,
 &end
#
#   51 ILE   QD1    52 PHE  HZ       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 412, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 394, 395, 396,
 &end
#
#   48 LEU   HB2    51 ILE  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 394, 395, 396,
 &end
#
#   63 ILE   QD1    68 ALA  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 587, 588, 589,
 &end
#
#   43 VAL   QG1    48 LEU  HG       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 340, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 265, 266, 267,
 &end
#
#   39 PHE   HE     43 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 204, 208,
 igr2= 265, 266, 267,
 &end
#
#   34 LEU   QD1    99 TYR  HE       5.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,
 igr1= 110, 111, 112,
 igr2=1125,1130,
 &end
#
#   32 THR   HA     34 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  65,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 110, 111, 112,
 &end
#
#   64 LEU   HB2    69 PHE  HZ       5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 675, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90 PHE   HE     95 LEU  QD1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 984, 988,
 igr2=1058,1059,1060,
 &end
#
#   48 LEU   QD2    52 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 346, 347, 348,
 igr2= 410, 414,
 &end
#
#   44 GLN   HA     48 LEU  QD2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 277,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 346, 347, 348,
 &end
#
#   48 LEU   QD2    63 ILE  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 576, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 346, 347, 348,
 &end
#
#   60 GLU   HA     70 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 693, 694, 695,
 &end
#
#   52 PHE   HE     70 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 410, 414,
 igr2= 693, 694, 695,
 &end
#
#   69 PHE   HA     70 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 693, 694, 695,
 &end
#
#   48 LEU   QD2    68 ALA  HA       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1= 346, 347, 348,
 &end
#
#   52 PHE   HA     70 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 402,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 693, 694, 695,
 &end
#
#   58 MET   QE     70 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 493, 494, 495,
 igr2= 693, 694, 695,
 &end
#
#   36 VAL   QG2    70 VAL  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1= 150, 151, 152,
 igr2= 693, 694, 695,
 &end
#
#   63 ILE   QD1    70 VAL  QG1      4.77
 (#63 ILE   HA     70 VAL  QG1      5.50)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.88, r4= 7.38,
 igr1= 587, 588, 589,
 igr2= 689, 690, 691,
 &end
#
#   52 PHE   HZ     70 VAL  QG1      5.43
 &rst
  ixpk= 0, nxpk= 0, iat= 412,  -1, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr2= 689, 690, 691,
 &end
#
#   68 ALA   HA     70 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 689, 690, 691,
 &end
#
#   50 GLU   HB3    51 ILE  QG2      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 371,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 387, 388, 389,
 &end
#
#   48 LEU   HB2    70 VAL  QG1      5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 6.08, r4= 6.58,
 igr2= 689, 690, 691,
 &end
#
#   68 ALA   QB     70 VAL  QG1      5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12,
 igr1= 657, 658, 659,
 igr2= 689, 690, 691,
 &end
#
#   61 VAL   QG1    70 VAL  QG1      4.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.97, r4= 7.47,
 igr1= 542, 543, 544,
 igr2= 689, 690, 691,
 &end
#
#   51 ILE   QG2    52 PHE  HE       5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 387, 388, 389,
 igr2= 410, 414,
 &end
#
#   69 PHE   HA     70 VAL  QG1      5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 689, 690, 691,
 &end
#
# Npl3_1RRM manual NOEs for b-sheet and a-helices, upper and lower limits
#
#   60 GLU  HN     71 GLU  O        2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 712, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   60 GLU   N      71 GLU  O        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 520, 712, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   60 GLU   O      71 GLU HN       2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 699, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   60 GLU   O      71 GLU  N        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 698, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 LYS  HN     69 PHE  O        2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 681, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   62 LYS   N      69 PHE  O        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 681, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 LYS   O      69 PHE HN       2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 663, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   62 LYS   O      69 PHE  N        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 662, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   64 LEU  HN     67 PHE  O        2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 651, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   64 LEU   N      67 PHE  O        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 651, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   64 LEU   O      67 PHE HN       2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 633, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   64 LEU   O      67 PHE  N        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 632, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   68 ALA  HN     36 VAL  O        2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 154, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   68 ALA   N      36 VAL  O        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 154, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   68 ALA   O      36 VAL HN       2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 661, 140, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   68 ALA   O      36 VAL  N        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 661, 139, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   70 VAL  HN     34 LEU  O        2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 683, 118, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   70 VAL   N      34 LEU  O        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 118, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   70 VAL   O      34 LEU HN       2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 101, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   70 VAL   O      34 LEU  N        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 100, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   35 PHE  HN     96 GLU  O        2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 120,1081, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   35 PHE   N      96 GLU  O        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 119,1081, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   35 PHE   O      96 GLU HN       2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 138,1068, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   35 PHE   O      96 GLU  N        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 138,1067, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   33 ARG  HN     98 VAL  O        2.00
 &rst
  ixpk= 0, nxpk= 0, iat=  77,1113, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   33 ARG   N      98 VAL  O        3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  76,1113, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   33 ARG   O      98 VAL HN       2.00
 &rst
  ixpk= 0, nxpk= 0, iat=  99,1099, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   33 ARG   O      98 VAL  N        3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  99,1098, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   90 PHE  HN     93 GLN  O        2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 974,1033, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   90 PHE   N      93 GLN  O        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 973,1033, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   90 PHE   O      93 GLN HN       2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 992,1018, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   90 PHE   O      93 GLN  N        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 992,1017, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   44 GLN   O      48 LEU HN       2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 333, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   44 GLN   O      48 LEU  N        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 332, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   45 GLU   O      49 ASN HN       2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 352, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   45 GLU   O      49 ASN  N        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 351, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   46 SER   O      50 GLU HN       2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 366, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   46 SER   O      50 GLU  N        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 365, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   47 GLU   O      51 ILE HN       2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 381, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   47 GLU   O      51 ILE  N        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 380, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 LEU   O      52 PHE HN       2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 400, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   48 LEU   O      52 PHE  N        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 399, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   75 ALA   O      79 ALA HN       2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 810, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   75 ALA   O      79 ALA  N        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 809, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   76 GLU   O      80 LYS HN       2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 820, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   76 GLU   O      80 LYS  N        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 819, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   77 SER   O      81 ALA HN       2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 842, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   77 SER   O      81 ALA  N        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 841, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   78 ALA   O      82 ILE HN       2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 852, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   78 ALA   O      82 ILE  N        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 851, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   79 ALA   O      83 GLU HN       2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 871, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   79 ALA   O      83 GLU  N        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 870, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   80 LYS   O      84 GLU HN       2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 886, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   80 LYS   O      84 GLU  N        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 885, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   60 GLU  HN     71 GLU  O        1.80
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 712, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   60 GLU   N      71 GLU  O        2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 520, 712, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   60 GLU   O      71 GLU HN       1.80
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 699, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   60 GLU   O      71 GLU  N        2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 698, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   62 LYS  HN     69 PHE  O        1.80
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 681, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   62 LYS   N      69 PHE  O        2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 681, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   62 LYS   O      69 PHE HN       1.80
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 663, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   62 LYS   O      69 PHE  N        2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 662, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   64 LEU  HN     67 PHE  O        1.80
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 651, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   64 LEU   N      67 PHE  O        2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 651, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   64 LEU   O      67 PHE HN       1.80
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 633, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   64 LEU   O      67 PHE  N        2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 610, 632, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   68 ALA  HN     36 VAL  O        1.80
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 154, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   68 ALA   N      36 VAL  O        2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 154, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   68 ALA   O      36 VAL HN       1.80
 &rst
  ixpk= 0, nxpk= 0, iat= 661, 140, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   68 ALA   O      36 VAL  N        2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 661, 139, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   70 VAL  HN     34 LEU  O        1.80
 &rst
  ixpk= 0, nxpk= 0, iat= 683, 118, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   70 VAL   N      34 LEU  O        2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 118, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   70 VAL   O      34 LEU HN       1.80
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 101, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   70 VAL   O      34 LEU  N        2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 100, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   35 PHE  HN     96 GLU  O        1.80
 &rst
  ixpk= 0, nxpk= 0, iat= 120,1081, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   35 PHE   N      96 GLU  O        2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 119,1081, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   35 PHE   O      96 GLU HN       1.80
 &rst
  ixpk= 0, nxpk= 0, iat= 138,1068, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   35 PHE   O      96 GLU  N        2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 138,1067, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   33 ARG  HN     98 VAL  O        1.80
 &rst
  ixpk= 0, nxpk= 0, iat=  77,1113, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   33 ARG   N      98 VAL  O        2.70
 &rst
  ixpk= 0, nxpk= 0, iat=  76,1113, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   33 ARG   O      98 VAL HN       1.80
 &rst
  ixpk= 0, nxpk= 0, iat=  99,1099, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   33 ARG   O      98 VAL  N        2.70
 &rst
  ixpk= 0, nxpk= 0, iat=  99,1098, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   90 PHE  HN     93 GLN  O        2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 974,1033, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   90 PHE   N      93 GLN  O        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 973,1033, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   90 PHE   O      93 GLN HN       2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 992,1018, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   90 PHE   O      93 GLN  N        3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 992,1017, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   44 GLN   O      48 LEU HN       1.80
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 333, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   44 GLN   O      48 LEU  N        2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 332, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   45 GLU   O      49 ASN HN       1.80
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 352, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   45 GLU   O      49 ASN  N        2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 351, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   46 SER   O      50 GLU HN       1.80
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 366, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   46 SER   O      50 GLU  N        2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 365, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   47 GLU   O      51 ILE HN       1.80
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 381, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   47 GLU   O      51 ILE  N        2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 380, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   48 LEU   O      52 PHE HN       1.80
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 400, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   48 LEU   O      52 PHE  N        2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 399, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   75 ALA   O      79 ALA HN       1.80
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 810, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   75 ALA   O      79 ALA  N        2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 809, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   76 GLU   O      80 LYS HN       1.80
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 820, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   76 GLU   O      80 LYS  N        2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 819, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   77 SER   O      81 ALA HN       1.80
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 842, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   77 SER   O      81 ALA  N        2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 798, 841, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   78 ALA   O      82 ILE HN       1.80
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 852, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   78 ALA   O      82 ILE  N        2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 808, 851, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   79 ALA   O      83 GLU HN       1.80
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 871, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   79 ALA   O      83 GLU  N        2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 818, 870, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   80 LYS   O      84 GLU HN       1.80
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 886, r1= 1.30, r2= 1.80, r3= 1.80, r4= 2.30,  &end
#
#   80 LYS   O      84 GLU  N        2.70
 &rst
  ixpk= 0, nxpk= 0, iat= 840, 885, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
#   64 LEU  HN     67 PHE HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 633, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   64 LEU  HN     68 ALA  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 593, 655, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 ILE   HA     68 ALA  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 655, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   63 ILE   HA     69 PHE HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 LYS  HN     69 PHE HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 663, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   62 LYS  HN     70 VAL  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 VAL   HA     70 VAL  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 685, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   61 VAL   HA     71 GLU HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 GLU  HN     71 GLU HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 699, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   60 GLU  HN     72 PHE  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 716, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   67 PHE   HA     37 ARG  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 ALA  HN     37 ARG  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 158, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   68 ALA  HN     36 VAL HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 653, 140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 PHE   HA     36 VAL HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 665, 140, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   69 PHE   HA     35 PHE  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 665, 122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 VAL  HN     35 PHE  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 683, 122, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   70 VAL  HN     34 LEU HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 683, 101, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 GLU   HA     34 LEU HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 701, 101, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   71 GLU   HA     33 ARG  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 701,  79, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   72 PHE  HN     33 ARG  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 714,  79, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   36 VAL   HA     96 GLU HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 142,1068, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 PHE  HN     96 GLU HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 120,1068, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   35 PHE  HN     97 VAL  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 120,1085, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 LEU   HA     97 VAL  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 103,1085, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   34 LEU   HA     98 VAL HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 103,1099, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   93 GLN  HN     90 PHE HN        5.5
 &rst
  ixpk= 0, nxpk= 0, iat=1018, 974, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   90 PHE  HN     94 PRO  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 974,1045, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   89 SER   HA     94 PRO  HA        5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 965,1045, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# Chirality for Npl3_1RRM
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10.,  &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=1,16,6,7, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=20,25,23,24, &end
#
#  chirality for residue 29 atoms:  CB CD1 CD2 HG
 &rst iat=22,27,31,26, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=18,35,21,22, &end
#
#  chirality for residue 30 atoms:  CA OG HB2 HB3
 &rst iat=39,44,42,43, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=37,46,40,41, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=50,55,53,54, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=48,60,51,52, &end
#
#  chirality for residue 32 atoms:  CA CG2 OG1 HB
 &rst iat=64,68,72,67, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=62,74,65,66, &end
#
#  chirality for residue 33 atoms:  CA CG HB2 HB3
 &rst iat=78,83,81,82, &end
#
#  chirality for residue 33 atoms:  CB CD HG2 HG3
 &rst iat=80,86,84,85, &end
#
#  chirality for residue 33 atoms:  CG NE HD2 HD3
 &rst iat=83,89,87,88, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=76,98,79,80, &end
#
#  chirality for residue 34 atoms:  CA CG HB2 HB3
 &rst iat=102,107,105,106, &end
#
#  chirality for residue 34 atoms:  CB CD1 CD2 HG
 &rst iat=104,109,113,108, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=100,117,103,104, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=121,126,124,125, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=119,137,122,123, &end
#
#  chirality for residue 36 atoms:  CA CG1 CG2 HB
 &rst iat=141,145,149,144, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=139,153,142,143, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=157,162,160,161, &end
#
#  chirality for residue 37 atoms:  CB CD HG2 HG3
 &rst iat=159,165,163,164, &end
#
#  chirality for residue 37 atoms:  CG NE HD2 HD3
 &rst iat=162,168,166,167, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=155,177,158,159, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=189,183,187,188, &end
#
#  chirality for residue 38 atoms:  CB CD HG2 HG3
 &rst iat=186,180,184,185, &end
#
#  chirality for residue 38 atoms:  CG N HD2 HD3
 &rst iat=183,179,181,182, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=179,191,190,186, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=195,200,198,199, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=193,211,196,197, &end
#
#  chirality for residue 40 atoms:  CA CG HB2 HB3
 &rst iat=223,217,221,222, &end
#
#  chirality for residue 40 atoms:  CB CD HG2 HG3
 &rst iat=220,214,218,219, &end
#
#  chirality for residue 40 atoms:  CG N HD2 HD3
 &rst iat=217,213,215,216, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=213,225,224,220, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=229,234,232,233, &end
#
#  chirality for residue 41 atoms:  CB CD1 CD2 HG
 &rst iat=231,236,240,235, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=227,244,230,231, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=248,253,251,252, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=246,256,249,250, &end
#
#  chirality for residue 43 atoms:  CA CG1 CG2 HB
 &rst iat=260,264,268,263, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=258,272,261,262, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=276,281,279,280, &end
#
#  chirality for residue 44 atoms:  CB CD HG2 HG3
 &rst iat=278,284,282,283, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=274,289,277,278, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=293,298,296,297, &end
#
#  chirality for residue 45 atoms:  CB CD HG2 HG3
 &rst iat=295,301,299,300, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=291,304,294,295, &end
#
#  chirality for residue 46 atoms:  CA OG HB2 HB3
 &rst iat=308,313,311,312, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=306,315,309,310, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=319,324,322,323, &end
#
#  chirality for residue 47 atoms:  CB CD HG2 HG3
 &rst iat=321,327,325,326, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=317,330,320,321, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=334,339,337,338, &end
#
#  chirality for residue 48 atoms:  CB CD1 CD2 HG
 &rst iat=336,341,345,340, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=332,349,335,336, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=353,358,356,357, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=351,363,354,355, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=367,372,370,371, &end
#
#  chirality for residue 50 atoms:  CB CD HG2 HG3
 &rst iat=369,375,373,374, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=365,378,368,369, &end
#
#  chirality for residue 51 atoms:  CA CG2 CG1 HB
 &rst iat=382,386,390,385, &end
#
#  chirality for residue 51 atoms:  CB CD1 HG12 HG13
 &rst iat=384,393,391,392, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=380,397,383,384, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=401,406,404,405, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=399,417,402,403, &end
#
#  chirality for residue 53 atoms:  N C HA2 HA3
 &rst iat=419,424,422,423, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=436,430,434,435, &end
#
#  chirality for residue 54 atoms:  CB CD HG2 HG3
 &rst iat=433,427,431,432, &end
#
#  chirality for residue 54 atoms:  CG N HD2 HD3
 &rst iat=430,426,428,429, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=426,438,437,433, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=442,447,445,446, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=440,458,443,444, &end
#
#  chirality for residue 56 atoms:  N C HA2 HA3
 &rst iat=460,465,463,464, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=477,471,475,476, &end
#
#  chirality for residue 57 atoms:  CB CD HG2 HG3
 &rst iat=474,468,472,473, &end
#
#  chirality for residue 57 atoms:  CG N HD2 HD3
 &rst iat=471,467,469,470, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=467,479,478,474, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=483,488,486,487, &end
#
#  chirality for residue 58 atoms:  CB SD HG2 HG3
 &rst iat=485,491,489,490, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=481,496,484,485, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=500,505,503,504, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=502,508,506,507, &end
#
#  chirality for residue 59 atoms:  CD NZ HE2 HE3
 &rst iat=508,514,512,513, &end
#
#  chirality for residue 59 atoms:  CG CE HD2 HD3
 &rst iat=505,511,509,510, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=498,518,501,502, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=522,527,525,526, &end
#
#  chirality for residue 60 atoms:  CB CD HG2 HG3
 &rst iat=524,530,528,529, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=520,533,523,524, &end
#
#  chirality for residue 61 atoms:  CA CG1 CG2 HB
 &rst iat=537,541,545,540, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=535,549,538,539, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=553,558,556,557, &end
#
#  chirality for residue 62 atoms:  CB CD HG2 HG3
 &rst iat=555,561,559,560, &end
#
#  chirality for residue 62 atoms:  CD NZ HE2 HE3
 &rst iat=561,567,565,566, &end
#
#  chirality for residue 62 atoms:  CG CE HD2 HD3
 &rst iat=558,564,562,563, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=551,571,554,555, &end
#
#  chirality for residue 63 atoms:  CA CG2 CG1 HB
 &rst iat=575,579,583,578, &end
#
#  chirality for residue 63 atoms:  CB CD1 HG12 HG13
 &rst iat=577,586,584,585, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=573,590,576,577, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=594,599,597,598, &end
#
#  chirality for residue 64 atoms:  CB CD1 CD2 HG
 &rst iat=596,601,605,600, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=592,609,595,596, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=613,618,616,617, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=611,623,614,615, &end
#
#  chirality for residue 66 atoms:  N C HA2 HA3
 &rst iat=625,630,628,629, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=634,639,637,638, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=632,650,635,636, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=652,660,655,656, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=664,669,667,668, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=662,680,665,666, &end
#
#  chirality for residue 70 atoms:  CA CG1 CG2 HB
 &rst iat=684,688,692,687, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=682,696,685,686, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=700,705,703,704, &end
#
#  chirality for residue 71 atoms:  CB CD HG2 HG3
 &rst iat=702,708,706,707, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=698,711,701,702, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=715,720,718,719, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=713,731,716,717, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=735,740,738,739, &end
#
#  chirality for residue 73 atoms:  CB CD HG2 HG3
 &rst iat=737,743,741,742, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=733,746,736,737, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=750,755,753,754, &end
#
#  chirality for residue 74 atoms:  CB CD HG2 HG3
 &rst iat=752,758,756,757, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=748,761,751,752, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=763,771,766,767, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=775,780,778,779, &end
#
#  chirality for residue 76 atoms:  CB CD HG2 HG3
 &rst iat=777,783,781,782, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=773,786,776,777, &end
#
#  chirality for residue 77 atoms:  CA OG HB2 HB3
 &rst iat=790,795,793,794, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=788,797,791,792, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=799,807,802,803, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=809,817,812,813, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=821,826,824,825, &end
#
#  chirality for residue 80 atoms:  CB CD HG2 HG3
 &rst iat=823,829,827,828, &end
#
#  chirality for residue 80 atoms:  CD NZ HE2 HE3
 &rst iat=829,835,833,834, &end
#
#  chirality for residue 80 atoms:  CG CE HD2 HD3
 &rst iat=826,832,830,831, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=819,839,822,823, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=841,849,844,845, &end
#
#  chirality for residue 82 atoms:  CA CG2 CG1 HB
 &rst iat=853,857,861,856, &end
#
#  chirality for residue 82 atoms:  CB CD1 HG12 HG13
 &rst iat=855,864,862,863, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=851,868,854,855, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=872,877,875,876, &end
#
#  chirality for residue 83 atoms:  CB CD HG2 HG3
 &rst iat=874,880,878,879, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=870,883,873,874, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=887,892,890,891, &end
#
#  chirality for residue 84 atoms:  CB CD HG2 HG3
 &rst iat=889,895,893,894, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=885,898,888,889, &end
#
#  chirality for residue 85 atoms:  CA CG1 CG2 HB
 &rst iat=902,906,910,905, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=900,914,903,904, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=918,923,921,922, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=916,931,919,920, &end
#
#  chirality for residue 87 atoms:  N C HA2 HA3
 &rst iat=933,938,936,937, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=942,947,945,946, &end
#
#  chirality for residue 88 atoms:  CB CD HG2 HG3
 &rst iat=944,950,948,949, &end
#
#  chirality for residue 88 atoms:  CD NZ HE2 HE3
 &rst iat=950,956,954,955, &end
#
#  chirality for residue 88 atoms:  CG CE HD2 HD3
 &rst iat=947,953,951,952, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=940,960,943,944, &end
#
#  chirality for residue 89 atoms:  CA OG HB2 HB3
 &rst iat=964,969,967,968, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=962,971,965,966, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=975,980,978,979, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=973,991,976,977, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=993,1001,996,997, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1005,1010,1008,1009, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1003,1015,1006,1007, &end
#
#  chirality for residue 93 atoms:  CA CG HB2 HB3
 &rst iat=1019,1024,1022,1023, &end
#
#  chirality for residue 93 atoms:  CB CD HG2 HG3
 &rst iat=1021,1027,1025,1026, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1017,1032,1020,1021, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1044,1038,1042,1043, &end
#
#  chirality for residue 94 atoms:  CB CD HG2 HG3
 &rst iat=1041,1035,1039,1040, &end
#
#  chirality for residue 94 atoms:  CG N HD2 HD3
 &rst iat=1038,1034,1036,1037, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1034,1046,1045,1041, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1050,1055,1053,1054, &end
#
#  chirality for residue 95 atoms:  CB CD1 CD2 HG
 &rst iat=1052,1057,1061,1056, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1048,1065,1051,1052, &end
#
#  chirality for residue 96 atoms:  CA CG HB2 HB3
 &rst iat=1069,1074,1072,1073, &end
#
#  chirality for residue 96 atoms:  CB CD HG2 HG3
 &rst iat=1071,1077,1075,1076, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1067,1080,1070,1071, &end
#
#  chirality for residue 97 atoms:  CA CG1 CG2 HB
 &rst iat=1084,1088,1092,1087, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1082,1096,1085,1086, &end
#
#  chirality for residue 98 atoms:  CA CG1 CG2 HB
 &rst iat=1100,1104,1108,1103, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1098,1112,1101,1102, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1116,1121,1119,1120, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1114,1133,1117,1118, &end
#
#  chirality for residue 100 atoms:  CA OG HB2 HB3
 &rst iat=1137,1142,1140,1141, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1135,1144,1138,1139, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=1148,1153,1151,1152, &end
#
#  chirality for residue 101 atoms:  CB CD HG2 HG3
 &rst iat=1150,1156,1154,1155, &end
#
#  chirality for residue 101 atoms:  CD NZ HE2 HE3
 &rst iat=1156,1162,1160,1161, &end
#
#  chirality for residue 101 atoms:  CG CE HD2 HD3
 &rst iat=1153,1159,1157,1158, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1146,1166,1149,1150, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1170,1175,1173,1174, &end
#
#  chirality for residue 102 atoms:  CB CD1 CD2 HG
 &rst iat=1172,1177,1181,1176, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1168,1185,1171,1172, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1197,1191,1195,1196, &end
#
#  chirality for residue 103 atoms:  CB CD HG2 HG3
 &rst iat=1194,1188,1192,1193, &end
#
#  chirality for residue 103 atoms:  CG N HD2 HD3
 &rst iat=1191,1187,1189,1190, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1187,1199,1198,1194, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1201,1209,1204,1205, &end
#
#  trans-omega constraint for residue 29
 &rst iat=20,18,16,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 30
 &rst iat=39,37,35,20, &end
#
#  trans-omega constraint for residue 31
 &rst iat=50,48,46,39, &end
#
#  trans-omega constraint for residue 32
 &rst iat=64,62,60,50, &end
#
#  trans-omega constraint for residue 33
 &rst iat=78,76,74,64, &end
#
#  trans-omega constraint for residue 34
 &rst iat=102,100,98,78, &end
#
#  trans-omega constraint for residue 35
 &rst iat=121,119,117,102, &end
#
#  trans-omega constraint for residue 36
 &rst iat=141,139,137,121, &end
#
#  trans-omega constraint for residue 37
 &rst iat=157,155,153,141, &end
#
#  trans-omega constraint for residue 38
 &rst iat=189,179,177,157, &end
#
#  trans-omega constraint for residue 39
 &rst iat=195,193,191,189, &end
#
#  trans-omega constraint for residue 40
 &rst iat=223,213,211,195, &end
#
#  trans-omega constraint for residue 41
 &rst iat=229,227,225,223, &end
#
#  trans-omega constraint for residue 42
 &rst iat=248,246,244,229, &end
#
#  trans-omega constraint for residue 43
 &rst iat=260,258,256,248, &end
#
#  trans-omega constraint for residue 44
 &rst iat=276,274,272,260, &end
#
#  trans-omega constraint for residue 45
 &rst iat=293,291,289,276, &end
#
#  trans-omega constraint for residue 46
 &rst iat=308,306,304,293, &end
#
#  trans-omega constraint for residue 47
 &rst iat=319,317,315,308, &end
#
#  trans-omega constraint for residue 48
 &rst iat=334,332,330,319, &end
#
#  trans-omega constraint for residue 49
 &rst iat=353,351,349,334, &end
#
#  trans-omega constraint for residue 50
 &rst iat=367,365,363,353, &end
#
#  trans-omega constraint for residue 51
 &rst iat=382,380,378,367, &end
#
#  trans-omega constraint for residue 52
 &rst iat=401,399,397,382, &end
#
#  trans-omega constraint for residue 53
 &rst iat=421,419,417,401, &end
#
#  trans-omega constraint for residue 54
 &rst iat=436,426,424,421, &end
#
#  trans-omega constraint for residue 55
 &rst iat=442,440,438,436, &end
#
#  trans-omega constraint for residue 56
 &rst iat=462,460,458,442, &end
#
#  trans-omega constraint for residue 57
 &rst iat=477,467,465,462, &end
#
#  trans-omega constraint for residue 58
 &rst iat=483,481,479,477, &end
#
#  trans-omega constraint for residue 59
 &rst iat=500,498,496,483, &end
#
#  trans-omega constraint for residue 60
 &rst iat=522,520,518,500, &end
#
#  trans-omega constraint for residue 61
 &rst iat=537,535,533,522, &end
#
#  trans-omega constraint for residue 62
 &rst iat=553,551,549,537, &end
#
#  trans-omega constraint for residue 63
 &rst iat=575,573,571,553, &end
#
#  trans-omega constraint for residue 64
 &rst iat=594,592,590,575, &end
#
#  trans-omega constraint for residue 65
 &rst iat=613,611,609,594, &end
#
#  trans-omega constraint for residue 66
 &rst iat=627,625,623,613, &end
#
#  trans-omega constraint for residue 67
 &rst iat=634,632,630,627, &end
#
#  trans-omega constraint for residue 68
 &rst iat=654,652,650,634, &end
#
#  trans-omega constraint for residue 69
 &rst iat=664,662,660,654, &end
#
#  trans-omega constraint for residue 70
 &rst iat=684,682,680,664, &end
#
#  trans-omega constraint for residue 71
 &rst iat=700,698,696,684, &end
#
#  trans-omega constraint for residue 72
 &rst iat=715,713,711,700, &end
#
#  trans-omega constraint for residue 73
 &rst iat=735,733,731,715, &end
#
#  trans-omega constraint for residue 74
 &rst iat=750,748,746,735, &end
#
#  trans-omega constraint for residue 75
 &rst iat=765,763,761,750, &end
#
#  trans-omega constraint for residue 76
 &rst iat=775,773,771,765, &end
#
#  trans-omega constraint for residue 77
 &rst iat=790,788,786,775, &end
#
#  trans-omega constraint for residue 78
 &rst iat=801,799,797,790, &end
#
#  trans-omega constraint for residue 79
 &rst iat=811,809,807,801, &end
#
#  trans-omega constraint for residue 80
 &rst iat=821,819,817,811, &end
#
#  trans-omega constraint for residue 81
 &rst iat=843,841,839,821, &end
#
#  trans-omega constraint for residue 82
 &rst iat=853,851,849,843, &end
#
#  trans-omega constraint for residue 83
 &rst iat=872,870,868,853, &end
#
#  trans-omega constraint for residue 84
 &rst iat=887,885,883,872, &end
#
#  trans-omega constraint for residue 85
 &rst iat=902,900,898,887, &end
#
#  trans-omega constraint for residue 86
 &rst iat=918,916,914,902, &end
#
#  trans-omega constraint for residue 87
 &rst iat=935,933,931,918, &end
#
#  trans-omega constraint for residue 88
 &rst iat=942,940,938,935, &end
#
#  trans-omega constraint for residue 89
 &rst iat=964,962,960,942, &end
#
#  trans-omega constraint for residue 90
 &rst iat=975,973,971,964, &end
#
#  trans-omega constraint for residue 91
 &rst iat=995,993,991,975, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1005,1003,1001,995, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1019,1017,1015,1005, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1044,1034,1032,1019, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1050,1048,1046,1044, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1069,1067,1065,1050, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1084,1082,1080,1069, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1100,1098,1096,1084, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1116,1114,1112,1100, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1137,1135,1133,1116, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1148,1146,1144,1137, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1170,1168,1166,1148, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1197,1187,1185,1170, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1203,1201,1199,1197, &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    GLU  28           H        GLU  28   4.992  14.869  11.948
    2    HA   GLU  28           HA       GLU  28   3.942  14.114   9.300
    3    HB2  GLU  28           2HB      GLU  28   6.733  15.111  10.008
    4    HB3  GLU  28           3HB      GLU  28   6.191  14.550   8.426
    5    HG2  GLU  28           2HG      GLU  28   5.363  17.085   9.863
    6    HG3  GLU  28           3HG      GLU  28   6.257  16.922   8.354
    7    H    LEU  29           H        LEU  29   4.633  12.352   8.362
    8    HA   LEU  29           HA       LEU  29   6.633  10.471   9.431
    9    HG   LEU  29           HG       LEU  29   4.139   7.658  10.151
   10    HB2  LEU  29           2HB      LEU  29   4.066  10.072  10.223
   11    HB3  LEU  29           3HB      LEU  29   3.897   9.456   8.623
   12   HD11  LEU  29          1HD1      LEU  29   6.915   7.795   8.915
   13   HD12  LEU  29          2HD1      LEU  29   6.074   6.362   9.533
   14   HD13  LEU  29          3HD1      LEU  29   5.448   7.145   8.119
   15   HD21  LEU  29          3HD2      LEU  29   5.927   7.359  11.724
   16   HD22  LEU  29          1HD2      LEU  29   6.709   8.870  11.191
   17   HD23  LEU  29          2HD2      LEU  29   5.119   8.907  11.995
   18    H    SER  30           H        SER  30   5.984   8.544   7.340
   19    HA   SER  30           HA       SER  30   6.712   9.782   4.859
   20    HG   SER  30           HG       SER  30   7.284   6.293   5.450
   21    HB2  SER  30           2HB      SER  30   5.271   7.169   5.432
   22    HB3  SER  30           3HB      SER  30   6.043   7.604   3.886
   23    H    ASN  31           H        ASN  31   3.735   9.746   6.508
   24    HA   ASN  31           HA       ASN  31   1.627  10.344   6.226
   25    HB2  ASN  31           2HB      ASN  31   2.533  12.160   4.039
   26    HB3  ASN  31           3HB      ASN  31   1.183  12.381   5.116
   27   HD21  ASN  31          1HD2      ASN  31   3.678  13.954   4.423
   28   HD22  ASN  31          2HD2      ASN  31   4.065  14.581   6.007
   29    H    THR  32           H        THR  32   2.881   8.902   3.323
   30    HA   THR  32           HA       THR  32   0.126   8.725   2.195
   31    HB   THR  32           HB       THR  32   0.922   9.473   0.082
   32    HG1  THR  32           1HG      THR  32   2.982   9.791  -0.371
   33   HG21  THR  32          1HG2      THR  32   1.578  11.731   0.411
   34   HG22  THR  32          2HG2      THR  32   0.534  11.332   1.778
   35   HG23  THR  32          3HG2      THR  32   2.307  11.392   1.992
   36    H    ARG  33           H        ARG  33   1.627   6.358   3.369
   37    HA   ARG  33           HA       ARG  33   2.185   4.873   0.829
   38    HE   ARG  33           HE       ARG  33   6.610   6.091  -0.541
   39    HB2  ARG  33           2HB      ARG  33   4.068   5.201   3.134
   40    HB3  ARG  33           3HB      ARG  33   4.086   3.780   2.038
   41    HG2  ARG  33           2HG      ARG  33   4.612   4.881   0.225
   42    HG3  ARG  33           3HG      ARG  33   4.361   6.509   0.977
   43    HD2  ARG  33           2HD      ARG  33   6.388   6.434   2.092
   44    HD3  ARG  33           3HD      ARG  33   6.468   4.655   2.055
   45   HH11  ARG  33          2HH2      ARG  33   8.646   4.439   1.799
   46   HH12  ARG  33          1HH2      ARG  33   9.693   3.865   0.499
   47   HH21  ARG  33          2HH1      ARG  33   7.992   5.556  -1.925
   48   HH22  ARG  33          1HH1      ARG  33   9.489   4.698  -1.506
   49    H    LEU  34           H        LEU  34   1.436   3.052   0.652
   50    HA   LEU  34           HA       LEU  34   0.198   1.797   2.986
   51    HG   LEU  34           HG       LEU  34  -2.467   2.674   0.482
   52    HB2  LEU  34           2HB      LEU  34  -0.384   1.146   0.172
   53    HB3  LEU  34           3HB      LEU  34  -1.426   0.910   1.526
   54   HD11  LEU  34          1HD1      LEU  34  -2.411   4.622   1.737
   55   HD12  LEU  34          2HD1      LEU  34  -1.855   3.398   2.863
   56   HD13  LEU  34          3HD1      LEU  34  -0.709   4.518   2.102
   57   HD21  LEU  34          3HD2      LEU  34  -1.458   3.506  -1.301
   58   HD22  LEU  34          1HD2      LEU  34  -0.728   4.729  -0.243
   59   HD23  LEU  34          2HD2      LEU  34   0.133   3.256  -0.647
   60    H    PHE  35           H        PHE  35   1.042   0.149   3.921
   61    HA   PHE  35           HA       PHE  35   3.219  -1.354   2.615
   62    HD1  PHE  35           HD1      PHE  35   4.443  -3.175   3.553
   63    HD2  PHE  35           HD2      PHE  35   4.669  -0.623   7.039
   64    HE1  PHE  35           HE1      PHE  35   6.243  -4.582   4.476
   65    HE2  PHE  35           HE2      PHE  35   6.472  -2.059   7.960
   66    HZ   PHE  35           HZ       PHE  35   7.271  -4.035   6.669
   67    HB2  PHE  35           2HB      PHE  35   4.014  -0.074   4.163
   68    HB3  PHE  35           3HB      PHE  35   2.954  -0.134   5.367
   69    H    VAL  36           H        VAL  36   2.307  -2.802   1.657
   70    HA   VAL  36           HA       VAL  36   0.039  -4.379   2.799
   71    HB   VAL  36           HB       VAL  36   0.688  -3.012   0.191
   72   HG11  VAL  36          1HG1      VAL  36  -1.463  -4.989   0.539
   73   HG12  VAL  36          2HG1      VAL  36  -1.613  -3.561  -0.530
   74   HG13  VAL  36          3HG1      VAL  36  -0.291  -4.662  -0.799
   75   HG21  VAL  36          3HG2      VAL  36  -1.804  -2.937   1.989
   76   HG22  VAL  36          1HG2      VAL  36  -0.473  -1.791   2.234
   77   HG23  VAL  36          2HG2      VAL  36  -1.383  -1.737   0.749
   78    H    ARG  37           H        ARG  37   1.130  -6.010   3.513
   79    HA   ARG  37           HA       ARG  37   2.871  -7.638   1.703
   80    HE   ARG  37           HE       ARG  37   3.534  -7.587   7.982
   81    HB2  ARG  37           2HB      ARG  37   4.333  -7.970   3.668
   82    HB3  ARG  37           3HB      ARG  37   4.193  -6.280   3.193
   83    HG2  ARG  37           2HG      ARG  37   2.862  -5.707   5.059
   84    HG3  ARG  37           3HG      ARG  37   2.354  -7.371   5.339
   85    HD2  ARG  37           2HD      ARG  37   4.698  -7.935   6.028
   86    HD3  ARG  37           3HD      ARG  37   5.110  -6.223   5.921
   87   HH11  ARG  37          1HH2      ARG  37   4.221  -4.340   6.716
   88   HH12  ARG  37          2HH2      ARG  37   3.516  -3.634   8.162
   89   HH21  ARG  37          2HH1      ARG  37   2.687  -6.427   9.752
   90   HH22  ARG  37          1HH1      ARG  37   2.759  -4.664   9.671
   91    HA   PRO  38           HA       PRO  38   0.242 -10.582   4.386
   92    HB2  PRO  38           2HB      PRO  38  -2.196 -10.981   3.213
   93    HB3  PRO  38           3HB      PRO  38  -1.923  -9.631   4.359
   94    HG2  PRO  38           2HG      PRO  38  -1.813  -9.492   1.359
   95    HG3  PRO  38           3HG      PRO  38  -2.745  -8.487   2.480
   96    HD2  PRO  38           2HD      PRO  38  -0.323  -7.655   1.601
   97    HD3  PRO  38           3HD      PRO  38  -0.770  -7.416   3.314
   98    H    PHE  39           H        PHE  39   0.158 -10.156   0.930
   99    HA   PHE  39           HA       PHE  39  -0.463 -12.804   0.156
  100    HD1  PHE  39           HD1      PHE  39   1.198  -8.837  -0.718
  101    HD2  PHE  39           HD2      PHE  39  -2.728 -10.564  -1.402
  102    HE1  PHE  39           HE1      PHE  39   0.223  -6.643  -0.796
  103    HE2  PHE  39           HE2      PHE  39  -3.688  -8.283  -1.441
  104    HZ   PHE  39           HZ       PHE  39  -2.236  -6.314  -1.199
  105    HB2  PHE  39           2HB      PHE  39   0.876 -11.106  -1.837
  106    HB3  PHE  39           3HB      PHE  39  -0.685 -11.883  -1.903
  107    HA   PRO  40           HA       PRO  40   3.782 -14.140  -0.685
  108    HB2  PRO  40           2HB      PRO  40   2.859 -16.131  -2.673
  109    HB3  PRO  40           3HB      PRO  40   3.505 -16.423  -1.043
  110    HG2  PRO  40           2HG      PRO  40   0.849 -16.850  -1.774
  111    HG3  PRO  40           3HG      PRO  40   1.392 -16.480  -0.111
  112    HD2  PRO  40           2HD      PRO  40   0.273 -14.574  -2.180
  113    HD3  PRO  40           3HD      PRO  40  -0.112 -14.735  -0.435
  114    H    LEU  41           H        LEU  41   4.632 -15.066  -3.278
  115    HA   LEU  41           HA       LEU  41   5.241 -12.701  -4.670
  116    HG   LEU  41           HG       LEU  41   7.618 -15.521  -5.529
  117    HB2  LEU  41           2HB      LEU  41   5.123 -15.542  -5.778
  118    HB3  LEU  41           3HB      LEU  41   5.988 -14.192  -6.469
  119   HD11  LEU  41          1HD1      LEU  41   8.677 -14.165  -3.820
  120   HD12  LEU  41          2HD1      LEU  41   7.895 -13.117  -5.018
  121   HD13  LEU  41          3HD1      LEU  41   7.129 -13.387  -3.430
  122   HD21  LEU  41          3HD2      LEU  41   7.730 -16.477  -3.378
  123   HD22  LEU  41          1HD2      LEU  41   6.323 -15.596  -2.787
  124   HD23  LEU  41          2HD2      LEU  41   6.128 -16.878  -4.015
  125    H    ASP  42           H        ASP  42   2.229 -14.300  -4.738
  126    HA   ASP  42           HA       ASP  42   1.308 -13.961  -7.369
  127    HB2  ASP  42           2HB      ASP  42  -0.224 -13.906  -4.751
  128    HB3  ASP  42           3HB      ASP  42  -0.938 -14.130  -6.343
  129    H    VAL  43           H        VAL  43   1.470 -11.467  -4.793
  130    HA   VAL  43           HA       VAL  43  -0.426  -9.694  -6.098
  131    HB   VAL  43           HB       VAL  43  -0.017  -9.510  -3.729
  132   HG11  VAL  43          1HG1      VAL  43   2.752  -8.414  -4.399
  133   HG12  VAL  43          2HG1      VAL  43   1.982  -8.367  -2.819
  134   HG13  VAL  43          3HG1      VAL  43   2.387  -9.929  -3.535
  135   HG21  VAL  43          3HG2      VAL  43   0.019  -7.087  -3.566
  136   HG22  VAL  43          1HG2      VAL  43   0.757  -6.933  -5.164
  137   HG23  VAL  43          2HG2      VAL  43  -0.896  -7.567  -4.994
  138    H    GLN  44           H        GLN  44  -0.168  -8.044  -7.473
  139    HA   GLN  44           HA       GLN  44   2.481  -7.062  -8.237
  140    HB2  GLN  44           2HB      GLN  44   0.660  -7.505 -10.553
  141    HB3  GLN  44           3HB      GLN  44   2.402  -7.433 -10.514
  142    HG2  GLN  44           2HG      GLN  44   0.669  -9.822  -9.767
  143    HG3  GLN  44           3HG      GLN  44   1.476  -9.580 -11.298
  144   HE21  GLN  44          1HE2      GLN  44   1.672 -11.547  -8.897
  145   HE22  GLN  44          2HE2      GLN  44   3.392 -11.677  -8.616
  146    H    GLU  45           H        GLU  45   2.060  -5.136  -9.899
  147    HA   GLU  45           HA       GLU  45   0.342  -3.238  -8.673
  148    HB2  GLU  45           2HB      GLU  45   0.846  -1.787 -10.452
  149    HB3  GLU  45           3HB      GLU  45   2.313  -2.663 -10.060
  150    HG2  GLU  45           2HG      GLU  45   0.424  -3.295 -12.357
  151    HG3  GLU  45           3HG      GLU  45   1.870  -2.301 -12.498
  152    H    SER  46           H        SER  46  -0.576  -5.720 -11.019
  153    HA   SER  46           HA       SER  46  -3.066  -4.485 -11.793
  154    HG   SER  46           HG       SER  46  -1.743  -7.954 -11.271
  155    HB2  SER  46           2HB      SER  46  -3.585  -7.043 -12.284
  156    HB3  SER  46           3HB      SER  46  -2.511  -6.081 -13.296
  157    H    GLU  47           H        GLU  47  -2.114  -6.392  -8.933
  158    HA   GLU  47           HA       GLU  47  -4.863  -7.145  -8.178
  159    HB2  GLU  47           2HB      GLU  47  -1.987  -7.615  -7.259
  160    HB3  GLU  47           3HB      GLU  47  -3.316  -7.912  -6.185
  161    HG2  GLU  47           2HG      GLU  47  -2.621  -9.958  -7.317
  162    HG3  GLU  47           3HG      GLU  47  -4.291  -9.528  -7.698
  163    H    LEU  48           H        LEU  48  -2.148  -4.997  -7.392
  164    HA   LEU  48           HA       LEU  48  -3.488  -3.575  -5.257
  165    HG   LEU  48           HG       LEU  48  -0.862  -4.915  -5.608
  166    HB2  LEU  48           2HB      LEU  48  -1.240  -2.779  -7.138
  167    HB3  LEU  48           3HB      LEU  48  -1.677  -1.978  -5.697
  168   HD11  LEU  48          1HD1      LEU  48   1.370  -4.321  -5.194
  169   HD12  LEU  48          2HD1      LEU  48   0.882  -3.548  -6.704
  170   HD13  LEU  48          3HD1      LEU  48   1.010  -2.580  -5.216
  171   HD21  LEU  48          3HD2      LEU  48  -0.063  -4.297  -3.401
  172   HD22  LEU  48          1HD2      LEU  48  -0.704  -2.632  -3.634
  173   HD23  LEU  48          2HD2      LEU  48  -1.810  -4.061  -3.564
  174    H    ASN  49           H        ASN  49  -3.311  -3.194  -8.858
  175    HA   ASN  49           HA       ASN  49  -4.976  -0.837  -8.947
  176    HB2  ASN  49           2HB      ASN  49  -4.192  -2.897 -10.943
  177    HB3  ASN  49           3HB      ASN  49  -5.726  -2.117 -11.245
  178   HD21  ASN  49          2HD2      ASN  49  -2.279  -1.487 -10.768
  179   HD22  ASN  49          1HD2      ASN  49  -2.297   0.049 -11.639
  180    H    GLU  50           H        GLU  50  -5.979  -4.282  -8.797
  181    HA   GLU  50           HA       GLU  50  -8.803  -3.790  -8.826
  182    HB2  GLU  50           2HB      GLU  50  -7.003  -5.948  -7.803
  183    HB3  GLU  50           3HB      GLU  50  -8.682  -5.971  -7.286
  184    HG2  GLU  50           2HG      GLU  50  -7.779  -5.832 -10.210
  185    HG3  GLU  50           3HG      GLU  50  -8.037  -7.346  -9.353
  186    H    ILE  51           H        ILE  51  -6.538  -3.826  -6.047
  187    HA   ILE  51           HA       ILE  51  -8.672  -3.368  -4.094
  188    HB   ILE  51           HB       ILE  51  -5.679  -3.458  -4.050
  189   HG12  ILE  51          2HG1      ILE  51  -7.635  -5.405  -2.773
  190   HG13  ILE  51          3HG1      ILE  51  -7.010  -5.591  -4.411
  191   HG21  ILE  51          1HG2      ILE  51  -5.790  -3.490  -1.526
  192   HG22  ILE  51          2HG2      ILE  51  -6.301  -1.945  -2.188
  193   HG23  ILE  51          3HG2      ILE  51  -7.525  -3.111  -1.647
  194   HD11  ILE  51          3HD1      ILE  51  -4.656  -5.563  -3.459
  195   HD12  ILE  51          1HD1      ILE  51  -5.393  -5.691  -1.844
  196   HD13  ILE  51          2HD1      ILE  51  -5.648  -6.966  -3.044
  197    H    PHE  52           H        PHE  52  -6.182  -1.290  -5.533
  198    HA   PHE  52           HA       PHE  52  -6.702   0.973  -3.740
  199    HD1  PHE  52           HD2      PHE  52  -4.479  -1.748  -4.207
  200    HD2  PHE  52           HD1      PHE  52  -3.680   2.252  -2.858
  201    HE1  PHE  52           HE2      PHE  52  -3.019  -2.660  -2.458
  202    HE2  PHE  52           HE1      PHE  52  -2.119   1.329  -1.193
  203    HZ   PHE  52           HZ       PHE  52  -1.642  -1.109  -1.136
  204    HB2  PHE  52           2HB      PHE  52  -4.609   0.442  -5.778
  205    HB3  PHE  52           3HB      PHE  52  -4.757   1.947  -4.912
  206    H    GLY  53           H        GLY  53  -7.133   0.068  -7.152
  207    HA2  GLY  53           2HA      GLY  53  -7.569   2.461  -8.484
  208    HA3  GLY  53           3HA      GLY  53  -8.448   0.961  -8.778
  209    HA   PRO  54           HA       PRO  54 -12.158   2.606  -6.750
  210    HB2  PRO  54           2HB      PRO  54 -11.655   1.579  -3.971
  211    HB3  PRO  54           3HB      PRO  54 -13.113   1.404  -4.995
  212    HG2  PRO  54           2HG      PRO  54 -11.426  -0.687  -4.671
  213    HG3  PRO  54           3HG      PRO  54 -12.055  -0.311  -6.315
  214    HD2  PRO  54           2HD      PRO  54  -9.457   0.602  -5.058
  215    HD3  PRO  54           3HD      PRO  54  -9.635  -0.295  -6.588
  216    H    PHE  55           H        PHE  55  -9.189   3.292  -4.914
  217    HA   PHE  55           HA       PHE  55 -10.254   5.464  -3.300
  218    HD1  PHE  55           HD2      PHE  55  -9.942   3.266  -2.290
  219    HD2  PHE  55           HD1      PHE  55  -5.728   3.918  -2.913
  220    HE1  PHE  55           HE2      PHE  55  -9.457   1.200  -1.040
  221    HE2  PHE  55           HE1      PHE  55  -5.264   2.021  -1.306
  222    HZ   PHE  55           HZ       PHE  55  -7.124   0.635  -0.493
  223    HB2  PHE  55           2HB      PHE  55  -7.354   5.127  -4.132
  224    HB3  PHE  55           3HB      PHE  55  -7.991   5.887  -2.708
  225    H    GLY  56           H        GLY  56  -8.610   5.127  -6.372
  226    HA2  GLY  56           2HA      GLY  56  -9.033   6.745  -8.147
  227    HA3  GLY  56           3HA      GLY  56  -8.829   8.034  -6.950
  228    HA   PRO  57           HA       PRO  57  -4.449   8.015  -7.901
  229    HB2  PRO  57           2HB      PRO  57  -3.913   8.420  -4.979
  230    HB3  PRO  57           3HB      PRO  57  -3.345   9.380  -6.373
  231    HG2  PRO  57           2HG      PRO  57  -5.336  10.332  -4.822
  232    HG3  PRO  57           3HG      PRO  57  -5.479  10.443  -6.603
  233    HD2  PRO  57           2HD      PRO  57  -6.644   8.289  -4.796
  234    HD3  PRO  57           3HD      PRO  57  -7.488   9.302  -5.985
  235    H    MET  58           H        MET  58  -2.450   7.017  -7.460
  236    HA   MET  58           HA       MET  58  -1.558   5.102  -5.667
  237    HB2  MET  58           2HB      MET  58  -1.580   3.064  -7.003
  238    HB3  MET  58           3HB      MET  58  -3.063   3.445  -6.128
  239    HG2  MET  58           2HG      MET  58  -4.064   4.296  -8.257
  240    HG3  MET  58           3HG      MET  58  -2.622   3.727  -9.114
  241    HE1  MET  58           3HE      MET  58  -2.753   1.121  -6.596
  242    HE2  MET  58           1HE      MET  58  -3.133  -0.172  -7.742
  243    HE3  MET  58           2HE      MET  58  -1.855   0.996  -8.133
  244    H    LYS  59           H        LYS  59  -0.234   6.833  -6.099
  245    HA   LYS  59           HA       LYS  59   0.874   7.503  -8.612
  246    HB2  LYS  59           2HB      LYS  59   0.238   8.864  -6.558
  247    HB3  LYS  59           3HB      LYS  59   1.627   8.164  -5.732
  248    HG2  LYS  59           2HG      LYS  59   1.924   9.792  -8.248
  249    HG3  LYS  59           3HG      LYS  59   1.679  10.502  -6.664
  250    HD2  LYS  59           2HD      LYS  59   4.077   8.969  -7.617
  251    HD3  LYS  59           3HD      LYS  59   3.856  10.595  -6.967
  252    HE2  LYS  59           2HE      LYS  59   3.609   9.875  -4.760
  253    HE3  LYS  59           3HE      LYS  59   3.634   8.159  -5.230
  254    HZ1  LYS  59           3HZ      LYS  59   5.914  10.020  -5.664
  255    HZ2  LYS  59           1HZ      LYS  59   5.807   8.979  -4.410
  256    HZ3  LYS  59           2HZ      LYS  59   5.944   8.400  -5.927
  257    H    GLU  60           H        GLU  60   1.979   5.483  -5.920
  258    HA   GLU  60           HA       GLU  60   3.968   4.326  -7.718
  259    HB2  GLU  60           2HB      GLU  60   4.915   6.165  -5.808
  260    HB3  GLU  60           3HB      GLU  60   5.166   4.592  -5.039
  261    HG2  GLU  60           2HG      GLU  60   6.535   3.833  -6.871
  262    HG3  GLU  60           3HG      GLU  60   6.113   5.243  -7.850
  263    H    VAL  61           H        VAL  61   4.700   2.330  -7.220
  264    HA   VAL  61           HA       VAL  61   3.010   0.719  -5.435
  265    HB   VAL  61           HB       VAL  61   2.956   0.224  -8.480
  266   HG11  VAL  61          1HG1      VAL  61   2.291  -1.549  -6.847
  267   HG12  VAL  61          2HG1      VAL  61   0.925  -0.528  -6.345
  268   HG13  VAL  61          3HG1      VAL  61   1.028  -1.127  -8.018
  269   HG21  VAL  61          3HG2      VAL  61   1.879   2.398  -8.375
  270   HG22  VAL  61          1HG2      VAL  61   0.711   1.132  -8.724
  271   HG23  VAL  61          2HG2      VAL  61   0.786   1.828  -7.094
  272    H    LYS  62           H        LYS  62   5.234   0.631  -4.656
  273    HA   LYS  62           HA       LYS  62   7.293  -0.658  -6.270
  274    HB2  LYS  62           2HB      LYS  62   7.219  -0.310  -3.254
  275    HB3  LYS  62           3HB      LYS  62   8.633  -0.532  -4.273
  276    HG2  LYS  62           2HG      LYS  62   8.055   1.728  -5.365
  277    HG3  LYS  62           3HG      LYS  62   6.787   1.907  -4.160
  278    HD2  LYS  62           2HD      LYS  62   8.424   3.045  -3.062
  279    HD3  LYS  62           3HD      LYS  62   8.754   1.433  -2.435
  280    HE2  LYS  62           2HE      LYS  62  10.884   1.890  -3.130
  281    HE3  LYS  62           3HE      LYS  62  10.266   1.322  -4.686
  282    HZ1  LYS  62           3HZ      LYS  62   9.677   3.833  -5.027
  283    HZ2  LYS  62           1HZ      LYS  62  10.679   4.086  -3.743
  284    HZ3  LYS  62           2HZ      LYS  62  11.268   3.411  -5.107
  285    H    ILE  63           H        ILE  63   7.306  -2.775  -6.700
  286    HA   ILE  63           HA       ILE  63   5.815  -4.687  -4.944
  287    HB   ILE  63           HB       ILE  63   6.650  -5.241  -7.788
  288   HG12  ILE  63          2HG1      ILE  63   5.186  -3.348  -8.032
  289   HG13  ILE  63          3HG1      ILE  63   4.494  -4.815  -8.672
  290   HG21  ILE  63          1HG2      ILE  63   6.145  -7.234  -6.494
  291   HG22  ILE  63          2HG2      ILE  63   4.606  -6.549  -5.946
  292   HG23  ILE  63          3HG2      ILE  63   4.849  -6.971  -7.660
  293   HD11  ILE  63          3HD1      ILE  63   3.669  -3.514  -6.029
  294   HD12  ILE  63          1HD1      ILE  63   2.803  -3.518  -7.581
  295   HD13  ILE  63          2HD1      ILE  63   2.994  -5.021  -6.695
  296    H    LEU  64           H        LEU  64   6.936  -6.055  -3.814
  297    HA   LEU  64           HA       LEU  64   9.588  -7.125  -4.645
  298    HG   LEU  64           HG       LEU  64  10.763  -4.998  -3.666
  299    HB2  LEU  64           2HB      LEU  64   8.639  -6.229  -1.900
  300    HB3  LEU  64           3HB      LEU  64  10.179  -6.981  -2.259
  301   HD11  LEU  64          1HD1      LEU  64   8.100  -3.986  -2.920
  302   HD12  LEU  64          2HD1      LEU  64   9.425  -2.848  -2.614
  303   HD13  LEU  64          3HD1      LEU  64   9.200  -3.499  -4.222
  304   HD21  LEU  64          3HD2      LEU  64  10.215  -4.673  -0.750
  305   HD22  LEU  64          1HD2      LEU  64  11.665  -5.336  -1.518
  306   HD23  LEU  64          2HD2      LEU  64  11.288  -3.611  -1.716
  307    H    ASN  65           H        ASN  65  10.034  -8.962  -2.973
  308    HA   ASN  65           HA       ASN  65   8.740 -11.225  -3.837
  309    HB2  ASN  65           2HB      ASN  65  10.325 -10.897  -1.310
  310    HB3  ASN  65           3HB      ASN  65  10.237 -12.374  -2.275
  311   HD21  ASN  65          1HD2      ASN  65  12.218  -9.720  -1.680
  312   HD22  ASN  65          2HD2      ASN  65  13.153  -9.802  -3.164
  313    H    GLY  66           H        GLY  66   6.462 -10.086  -2.878
  314    HA2  GLY  66           2HA      GLY  66   4.643 -11.242  -1.759
  315    HA3  GLY  66           3HA      GLY  66   5.665 -11.540  -0.366
  316    H    PHE  67           H        PHE  67   6.281  -8.450  -1.762
  317    HA   PHE  67           HA       PHE  67   4.482  -7.115   0.221
  318    HD1  PHE  67           HD2      PHE  67   8.363  -8.488  -0.413
  319    HD2  PHE  67           HD1      PHE  67   6.404  -7.063   3.133
  320    HE1  PHE  67           HE2      PHE  67   9.478 -10.269   0.906
  321    HE2  PHE  67           HE1      PHE  67   7.513  -8.844   4.462
  322    HZ   PHE  67           HZ       PHE  67   9.043 -10.457   3.346
  323    HB2  PHE  67           2HB      PHE  67   7.294  -6.181  -0.228
  324    HB3  PHE  67           3HB      PHE  67   6.218  -5.819   1.092
  325    H    ALA  68           H        ALA  68   3.660  -5.231  -0.307
  326    HA   ALA  68           HA       ALA  68   4.392  -3.795  -2.852
  327    HB1  ALA  68           1HB      ALA  68   2.071  -3.233  -3.048
  328    HB2  ALA  68           2HB      ALA  68   2.301  -5.001  -3.112
  329    HB3  ALA  68           3HB      ALA  68   1.676  -4.230  -1.634
  330    H    PHE  69           H        PHE  69   4.873  -1.751  -2.516
  331    HA   PHE  69           HA       PHE  69   3.950  -0.425  -0.041
  332    HD1  PHE  69           HD2      PHE  69   6.998  -2.228  -1.682
  333    HD2  PHE  69           HD1      PHE  69   6.845  -0.392   2.200
  334    HE1  PHE  69           HE2      PHE  69   8.160  -4.170  -0.731
  335    HE2  PHE  69           HE1      PHE  69   8.187  -2.297   3.127
  336    HZ   PHE  69           HZ       PHE  69   8.925  -4.170   1.567
  337    HB2  PHE  69           2HB      PHE  69   6.627   0.331  -1.246
  338    HB3  PHE  69           3HB      PHE  69   5.970   0.767   0.307
  339    H    VAL  70           H        VAL  70   2.272   0.288  -1.037
  340    HA   VAL  70           HA       VAL  70   2.468   1.739  -3.590
  341    HB   VAL  70           HB       VAL  70  -0.025   1.409  -1.932
  342   HG11  VAL  70          1HG1      VAL  70  -1.115   1.229  -4.110
  343   HG12  VAL  70          2HG1      VAL  70  -0.244   2.796  -4.032
  344   HG13  VAL  70          3HG1      VAL  70   0.438   1.379  -4.920
  345   HG21  VAL  70          3HG2      VAL  70  -0.440  -0.565  -3.439
  346   HG22  VAL  70          1HG2      VAL  70   1.274  -0.424  -3.943
  347   HG23  VAL  70          2HG2      VAL  70   0.823  -0.837  -2.227
  348    H    GLU  71           H        GLU  71   1.614   3.941  -3.742
  349    HA   GLU  71           HA       GLU  71   2.131   5.633  -1.334
  350    HB2  GLU  71           2HB      GLU  71   4.288   4.893  -2.623
  351    HB3  GLU  71           3HB      GLU  71   3.673   5.913  -3.921
  352    HG2  GLU  71           2HG      GLU  71   3.636   7.891  -2.562
  353    HG3  GLU  71           3HG      GLU  71   4.064   6.980  -1.122
  354    H    PHE  72           H        PHE  72   1.418   7.708  -1.590
  355    HA   PHE  72           HA       PHE  72   0.323   8.610  -4.221
  356    HD1  PHE  72           HD1      PHE  72  -1.880   7.047  -4.441
  357    HD2  PHE  72           HD2      PHE  72  -1.854   7.726  -0.199
  358    HE1  PHE  72           HE1      PHE  72  -3.151   4.933  -4.088
  359    HE2  PHE  72           HE2      PHE  72  -3.274   5.711   0.103
  360    HZ   PHE  72           HZ       PHE  72  -3.877   4.305  -1.802
  361    HB2  PHE  72           2HB      PHE  72  -0.894   9.300  -1.541
  362    HB3  PHE  72           3HB      PHE  72  -1.585   9.485  -3.145
  363    H    GLU  73           H        GLU  73   0.143  10.953  -4.422
  364    HA   GLU  73           HA       GLU  73   2.589  12.192  -3.306
  365    HB2  GLU  73           2HB      GLU  73   2.293  13.919  -4.985
  366    HB3  GLU  73           3HB      GLU  73   2.443  12.289  -5.626
  367    HG2  GLU  73           2HG      GLU  73  -0.029  12.209  -5.991
  368    HG3  GLU  73           3HG      GLU  73  -0.179  13.831  -5.316
  369    H    GLU  74           H        GLU  74  -0.515  11.949  -2.225
  370    HA   GLU  74           HA       GLU  74  -0.267  14.283  -0.467
  371    HB2  GLU  74           2HB      GLU  74  -2.729  14.861  -0.918
  372    HB3  GLU  74           3HB      GLU  74  -1.510  15.413  -2.041
  373    HG2  GLU  74           2HG      GLU  74  -3.543  14.639  -3.184
  374    HG3  GLU  74           3HG      GLU  74  -2.102  13.781  -3.693
  375    H    ALA  75           H        ALA  75  -2.162  14.242   1.203
  376    HA   ALA  75           HA       ALA  75  -1.964  11.532   2.353
  377    HB1  ALA  75           1HB      ALA  75  -0.964  13.456   3.529
  378    HB2  ALA  75           2HB      ALA  75  -2.574  14.209   3.653
  379    HB3  ALA  75           3HB      ALA  75  -2.233  12.674   4.487
  380    H    GLU  76           H        GLU  76  -4.350  12.942   0.589
  381    HA   GLU  76           HA       GLU  76  -6.628  12.149   2.324
  382    HB2  GLU  76           2HB      GLU  76  -6.213  13.741  -0.180
  383    HB3  GLU  76           3HB      GLU  76  -7.691  12.784  -0.131
  384    HG2  GLU  76           2HG      GLU  76  -6.747  14.537   2.155
  385    HG3  GLU  76           3HG      GLU  76  -7.789  15.167   0.854
  386    H    SER  77           H        SER  77  -5.039  11.083  -0.708
  387    HA   SER  77           HA       SER  77  -6.734   8.762  -1.058
  388    HG   SER  77           HG       SER  77  -4.441   7.036  -2.512
  389    HB2  SER  77           2HB      SER  77  -5.182   9.660  -2.778
  390    HB3  SER  77           3HB      SER  77  -3.835   8.998  -1.861
  391    H    ALA  78           H        ALA  78  -3.830   9.420   0.914
  392    HA   ALA  78           HA       ALA  78  -3.535   6.733   1.895
  393    HB1  ALA  78           1HB      ALA  78  -1.869   8.619   1.901
  394    HB2  ALA  78           2HB      ALA  78  -2.695   9.253   3.343
  395    HB3  ALA  78           3HB      ALA  78  -1.953   7.625   3.370
  396    H    ALA  79           H        ALA  79  -5.190   9.587   3.410
  397    HA   ALA  79           HA       ALA  79  -6.218   8.290   5.675
  398    HB1  ALA  79           1HB      ALA  79  -7.477  10.506   4.006
  399    HB2  ALA  79           2HB      ALA  79  -7.889  10.092   5.681
  400    HB3  ALA  79           3HB      ALA  79  -6.274  10.714   5.304
  401    H    LYS  80           H        LYS  80  -7.808   8.526   2.427
  402    HA   LYS  80           HA       LYS  80  -9.940   6.780   3.352
  403    HB2  LYS  80           2HB      LYS  80 -10.786   6.748   1.127
  404    HB3  LYS  80           3HB      LYS  80 -10.281   8.389   1.525
  405    HG2  LYS  80           2HG      LYS  80  -8.118   7.851   0.242
  406    HG3  LYS  80           3HG      LYS  80  -8.877   6.346  -0.251
  407    HD2  LYS  80           2HD      LYS  80  -9.372   7.706  -2.060
  408    HD3  LYS  80           3HD      LYS  80 -10.825   7.950  -1.111
  409    HE2  LYS  80           2HE      LYS  80  -8.439   9.830  -1.460
  410    HE3  LYS  80           3HE      LYS  80 -10.057  10.036  -2.100
  411    HZ1  LYS  80           3HZ      LYS  80 -10.839  10.246   0.250
  412    HZ2  LYS  80           1HZ      LYS  80  -9.266  10.205   0.749
  413    HZ3  LYS  80           2HZ      LYS  80  -9.802  11.430  -0.147
  414    H    ALA  81           H        ALA  81  -6.939   6.104   1.547
  415    HA   ALA  81           HA       ALA  81  -7.441   3.430   0.921
  416    HB1  ALA  81           1HB      ALA  81  -4.810   4.661   1.777
  417    HB2  ALA  81           2HB      ALA  81  -5.014   3.075   1.012
  418    HB3  ALA  81           3HB      ALA  81  -5.476   4.529   0.131
  419    H    ILE  82           H        ILE  82  -6.082   4.859   3.951
  420    HA   ILE  82           HA       ILE  82  -5.892   2.587   5.560
  421    HB   ILE  82           HB       ILE  82  -6.581   5.428   6.328
  422   HG12  ILE  82          2HG1      ILE  82  -3.951   4.201   7.056
  423   HG13  ILE  82          3HG1      ILE  82  -4.153   4.621   5.372
  424   HG21  ILE  82          1HG2      ILE  82  -5.906   4.882   8.646
  425   HG22  ILE  82          2HG2      ILE  82  -7.348   4.003   8.171
  426   HG23  ILE  82          3HG2      ILE  82  -5.775   3.174   8.208
  427   HD11  ILE  82          3HD1      ILE  82  -4.530   6.499   7.743
  428   HD12  ILE  82          1HD1      ILE  82  -3.167   6.491   6.592
  429   HD13  ILE  82          2HD1      ILE  82  -4.805   6.912   6.050
  430    H    GLU  83           H        GLU  83  -8.680   4.888   5.484
  431    HA   GLU  83           HA       GLU  83 -10.311   3.210   7.114
  432    HB2  GLU  83           2HB      GLU  83 -11.027   5.444   5.211
  433    HB3  GLU  83           3HB      GLU  83 -12.179   4.683   6.314
  434    HG2  GLU  83           2HG      GLU  83  -9.601   6.082   7.195
  435    HG3  GLU  83           3HG      GLU  83 -11.201   6.803   7.192
  436    H    GLU  84           H        GLU  84  -9.695   2.919   3.698
  437    HA   GLU  84           HA       GLU  84 -12.053   1.291   3.042
  438    HB2  GLU  84           2HB      GLU  84  -9.463   1.963   1.601
  439    HB3  GLU  84           3HB      GLU  84 -10.592   0.804   0.954
  440    HG2  GLU  84           2HG      GLU  84 -11.309   3.695   1.513
  441    HG3  GLU  84           3HG      GLU  84 -10.700   3.113  -0.020
  442    H    VAL  85           H        VAL  85  -8.596   0.630   3.792
  443    HA   VAL  85           HA       VAL  85  -9.206  -2.282   4.005
  444    HB   VAL  85           HB       VAL  85  -8.953  -1.850   1.702
  445   HG11  VAL  85          1HG1      VAL  85  -6.297  -0.579   2.323
  446   HG12  VAL  85          2HG1      VAL  85  -6.745  -1.163   0.705
  447   HG13  VAL  85          3HG1      VAL  85  -7.698   0.106   1.490
  448   HG21  VAL  85          3HG2      VAL  85  -6.421  -3.273   2.473
  449   HG22  VAL  85          1HG2      VAL  85  -8.045  -4.002   2.582
  450   HG23  VAL  85          2HG2      VAL  85  -7.401  -3.480   1.019
  451    H    HIS  86           H        HIS  86  -7.409   0.211   5.445
  452    HA   HIS  86           HA       HIS  86  -5.157  -1.352   6.374
  453    HD1  HIS  86           HD1      HIS  86  -2.959   1.194   7.609
  454    HD2  HIS  86           HD2      HIS  86  -5.739  -0.610  10.191
  455    HE1  HIS  86           HE1      HIS  86  -1.682   0.622   9.761
  456    HB2  HIS  86           2HB      HIS  86  -5.330   1.084   6.666
  457    HB3  HIS  86           3HB      HIS  86  -6.602   0.866   7.867
  458    H    GLY  87           H        GLY  87  -5.392  -3.324   7.326
  459    HA2  GLY  87           2HA      GLY  87  -5.424  -4.436   9.423
  460    HA3  GLY  87           3HA      GLY  87  -6.658  -3.340  10.032
  461    H    LYS  88           H        LYS  88  -7.533  -4.125   6.973
  462    HA   LYS  88           HA       LYS  88  -9.592  -6.141   7.582
  463    HB2  LYS  88           2HB      LYS  88  -8.565  -4.596   5.164
  464    HB3  LYS  88           3HB      LYS  88  -9.663  -5.880   4.993
  465    HG2  LYS  88           2HG      LYS  88 -10.888  -3.816   4.925
  466    HG3  LYS  88           3HG      LYS  88 -11.363  -4.669   6.400
  467    HD2  LYS  88           2HD      LYS  88 -10.183  -3.151   7.808
  468    HD3  LYS  88           3HD      LYS  88  -9.172  -2.584   6.476
  469    HE2  LYS  88           2HE      LYS  88 -11.238  -1.622   5.393
  470    HE3  LYS  88           3HE      LYS  88 -12.115  -1.984   6.886
  471    HZ1  LYS  88           3HZ      LYS  88 -10.560  -0.520   8.069
  472    HZ2  LYS  88           1HZ      LYS  88  -9.726  -0.204   6.706
  473    HZ3  LYS  88           2HZ      LYS  88 -11.269   0.307   6.838
  474    H    SER  89           H        SER  89  -9.397  -8.271   6.871
  475    HA   SER  89           HA       SER  89  -6.638  -9.266   6.604
  476    HG   SER  89           HG       SER  89  -9.853 -11.012   6.296
  477    HB2  SER  89           2HB      SER  89  -7.716 -11.504   6.913
  478    HB3  SER  89           3HB      SER  89  -7.886 -10.353   8.241
  479    H    PHE  90           H        PHE  90  -5.839  -8.955   4.482
  480    HA   PHE  90           HA       PHE  90  -7.509 -10.061   2.246
  481    HD1  PHE  90           HD1      PHE  90  -4.557 -10.425   0.120
  482    HD2  PHE  90           HD2      PHE  90  -7.780  -7.570   0.252
  483    HE1  PHE  90           HE1      PHE  90  -5.144 -10.973  -2.233
  484    HE2  PHE  90           HE2      PHE  90  -8.323  -8.069  -2.115
  485    HZ   PHE  90           HZ       PHE  90  -7.053  -9.822  -3.325
  486    HB2  PHE  90           2HB      PHE  90  -6.434  -7.860   2.073
  487    HB3  PHE  90           3HB      PHE  90  -4.870  -8.598   2.112
  488    H    ALA  91           H        ALA  91  -6.976 -11.842   1.144
  489    HA   ALA  91           HA       ALA  91  -6.282 -13.905   0.656
  490    HB1  ALA  91           1HB      ALA  91  -3.846 -14.244   0.410
  491    HB2  ALA  91           2HB      ALA  91  -4.391 -12.704  -0.253
  492    HB3  ALA  91           3HB      ALA  91  -3.545 -12.738   1.308
  493    H    ASN  92           H        ASN  92  -4.341 -13.149   3.556
  494    HA   ASN  92           HA       ASN  92  -5.381 -15.432   5.068
  495    HB2  ASN  92           2HB      ASN  92  -2.989 -16.334   5.371
  496    HB3  ASN  92           3HB      ASN  92  -3.779 -16.654   3.839
  497   HD21  ASN  92          1HD2      ASN  92  -1.157 -14.786   5.368
  498   HD22  ASN  92          2HD2      ASN  92  -0.473 -14.274   3.815
  499    H    GLN  93           H        GLN  93  -4.139 -12.221   5.036
  500    HA   GLN  93           HA       GLN  93  -4.204 -12.027   7.919
  501    HB2  GLN  93           2HB      GLN  93  -1.883 -11.466   8.306
  502    HB3  GLN  93           3HB      GLN  93  -2.017 -13.096   7.705
  503    HG2  GLN  93           2HG      GLN  93  -1.373 -12.188   5.419
  504    HG3  GLN  93           3HG      GLN  93  -1.041 -10.646   6.218
  505   HE21  GLN  93          2HE2      GLN  93   0.820 -12.707   4.823
  506   HE22  GLN  93          1HE2      GLN  93   2.030 -13.010   6.057
  507    HA   PRO  94           HA       PRO  94  -5.020  -7.953   6.810
  508    HB2  PRO  94           2HB      PRO  94  -4.366  -6.387   9.010
  509    HB3  PRO  94           3HB      PRO  94  -5.728  -7.550   8.986
  510    HG2  PRO  94           2HG      PRO  94  -2.886  -8.023   9.968
  511    HG3  PRO  94           3HG      PRO  94  -4.425  -8.344  10.838
  512    HD2  PRO  94           2HD      PRO  94  -3.112 -10.285   9.517
  513    HD3  PRO  94           3HD      PRO  94  -4.895 -10.188   9.398
  514    H    LEU  95           H        LEU  95  -4.555  -5.939   6.265
  515    HA   LEU  95           HA       LEU  95  -1.913  -5.371   5.174
  516    HG   LEU  95           HG       LEU  95  -4.331  -4.195   2.683
  517    HB2  LEU  95           2HB      LEU  95  -4.643  -3.997   5.261
  518    HB3  LEU  95           3HB      LEU  95  -3.273  -3.303   4.469
  519   HD11  LEU  95          1HD1      LEU  95  -2.096  -5.242   2.756
  520   HD12  LEU  95          2HD1      LEU  95  -2.845  -6.645   3.545
  521   HD13  LEU  95          3HD1      LEU  95  -3.308  -6.211   1.882
  522   HD21  LEU  95          3HD2      LEU  95  -5.724  -5.922   2.500
  523   HD22  LEU  95          1HD2      LEU  95  -5.197  -6.703   4.024
  524   HD23  LEU  95          2HD2      LEU  95  -6.151  -5.191   4.040
  525    H    GLU  96           H        GLU  96  -0.760  -3.370   5.429
  526    HA   GLU  96           HA       GLU  96  -1.397  -1.714   7.813
  527    HB2  GLU  96           2HB      GLU  96   0.552  -3.373   8.078
  528    HB3  GLU  96           3HB      GLU  96   1.454  -2.326   6.973
  529    HG2  GLU  96           2HG      GLU  96   0.819  -0.398   8.555
  530    HG3  GLU  96           3HG      GLU  96   0.270  -1.626   9.691
  531    H    VAL  97           H        VAL  97  -2.506  -1.084   5.689
  532    HA   VAL  97           HA       VAL  97  -1.284   0.580   3.677
  533    HB   VAL  97           HB       VAL  97  -4.052   0.342   4.895
  534   HG11  VAL  97          1HG1      VAL  97  -4.050   2.498   3.759
  535   HG12  VAL  97          2HG1      VAL  97  -3.397   1.740   2.288
  536   HG13  VAL  97          3HG1      VAL  97  -4.996   1.310   2.844
  537   HG21  VAL  97          3HG2      VAL  97  -2.785  -1.543   3.400
  538   HG22  VAL  97          1HG2      VAL  97  -4.524  -1.302   3.310
  539   HG23  VAL  97          2HG2      VAL  97  -3.444  -0.600   2.073
  540    H    VAL  98           H        VAL  98  -0.045   2.530   4.570
  541    HA   VAL  98           HA       VAL  98  -1.566   4.202   6.441
  542    HB   VAL  98           HB       VAL  98  -0.613   1.900   7.416
  543   HG11  VAL  98          1HG1      VAL  98   1.360   1.691   8.423
  544   HG12  VAL  98          2HG1      VAL  98   1.765   2.181   6.777
  545   HG13  VAL  98          3HG1      VAL  98   1.882   3.322   8.165
  546   HG21  VAL  98          3HG2      VAL  98  -0.741   4.470   8.871
  547   HG22  VAL  98          1HG2      VAL  98  -2.028   3.294   8.440
  548   HG23  VAL  98          2HG2      VAL  98  -0.740   2.821   9.570
  549    H    TYR  99           H        TYR  99   1.169   4.763   7.615
  550    HA   TYR  99           HA       TYR  99   2.355   6.532   5.518
  551    HD1  TYR  99           HD1      TYR  99   0.441   7.743   5.773
  552    HD2  TYR  99           HD2      TYR  99   1.767   8.552   9.807
  553    HE1  TYR  99           HE1      TYR  99  -1.410   9.340   6.059
  554    HE2  TYR  99           HE2      TYR  99  -0.138  10.126  10.102
  555    HH   TYR  99           HH       TYR  99  -2.503  10.780   7.496
  556    HB2  TYR  99           2HB      TYR  99   2.695   6.684   8.549
  557    HB3  TYR  99           3HB      TYR  99   3.304   7.785   7.330
  558    H    SER 100           H        SER 100   2.985   4.160   4.818
  559    HA   SER 100           HA       SER 100   4.314   2.424   6.200
  560    HG   SER 100           HG       SER 100   5.896   0.902   3.476
  561    HB2  SER 100           2HB      SER 100   3.831   1.938   3.936
  562    HB3  SER 100           3HB      SER 100   5.117   2.986   3.444
  563    H    LYS 101           H        LYS 101   6.250   1.795   6.964
  564    HA   LYS 101           HA       LYS 101   7.896   3.819   8.134
  565    HB2  LYS 101           2HB      LYS 101   7.971   0.770   8.174
  566    HB3  LYS 101           3HB      LYS 101   8.961   1.789   9.225
  567    HG2  LYS 101           2HG      LYS 101   7.042   2.744  10.316
  568    HG3  LYS 101           3HG      LYS 101   5.922   1.978   9.174
  569    HD2  LYS 101           2HD      LYS 101   6.489  -0.244   9.991
  570    HD3  LYS 101           3HD      LYS 101   7.758   0.418  11.032
  571    HE2  LYS 101           2HE      LYS 101   5.773  -0.132  12.333
  572    HE3  LYS 101           3HE      LYS 101   6.113   1.599  12.393
  573    HZ1  LYS 101           3HZ      LYS 101   4.329   1.967  10.820
  574    HZ2  LYS 101           1HZ      LYS 101   4.073   0.362  10.601
  575    HZ3  LYS 101           2HZ      LYS 101   3.735   1.065  12.038
  576    H    LEU 102           H        LEU 102   8.262   3.347   5.118
  577    HA   LEU 102           HA       LEU 102  11.249   3.106   5.065
  578    HG   LEU 102           HG       LEU 102  11.520   0.802   4.282
  579    HB2  LEU 102           2HB      LEU 102   9.158   2.275   3.018
  580    HB3  LEU 102           3HB      LEU 102  10.841   2.573   2.611
  581   HD11  LEU 102          1HD1      LEU 102   8.532   0.176   4.214
  582   HD12  LEU 102          2HD1      LEU 102   9.787  -0.967   4.743
  583   HD13  LEU 102          3HD1      LEU 102   9.525   0.512   5.651
  584   HD21  LEU 102          3HD2      LEU 102  11.479   0.436   1.853
  585   HD22  LEU 102          1HD2      LEU 102  10.978  -1.030   2.711
  586   HD23  LEU 102          2HD2      LEU 102   9.759   0.003   1.931
  587    HA   PRO 103           HA       PRO 103  10.706   7.366   3.578
  588    HB2  PRO 103           2HB      PRO 103  13.273   8.208   3.596
  589    HB3  PRO 103           3HB      PRO 103  12.434   7.769   5.109
  590    HG2  PRO 103           2HG      PRO 103  14.287   6.024   3.446
  591    HG3  PRO 103           3HG      PRO 103  14.375   6.358   5.206
  592    HD2  PRO 103           2HD      PRO 103  13.134   4.133   4.175
  593    HD3  PRO 103           3HD      PRO 103  12.564   4.943   5.667
  594    H    ALA 104           H        ALA 104  12.047   4.816   1.774
  595    HA   ALA 104           HA       ALA 104  12.282   6.409  -0.729
  596    HB1  ALA 104           1HB      ALA 104  14.540   5.999   0.183
  597    HB2  ALA 104           2HB      ALA 104  14.194   4.256   0.279
  598    HB3  ALA 104           3HB      ALA 104  14.276   5.062  -1.293
  Start of MODEL    2
    1    H    GLU  28           H        GLU  28   6.341  14.374  11.245
    2    HA   GLU  28           HA       GLU  28   5.054  14.618   9.248
    3    HB2  GLU  28           2HB      GLU  28   7.529  16.085   8.234
    4    HB3  GLU  28           3HB      GLU  28   6.309  15.400   7.174
    5    HG2  GLU  28           2HG      GLU  28   5.731  17.630   7.304
    6    HG3  GLU  28           3HG      GLU  28   4.555  16.799   8.305
    7    H    LEU  29           H        LEU  29   5.522  13.377   7.142
    8    HA   LEU  29           HA       LEU  29   7.512  11.186   7.382
    9    HG   LEU  29           HG       LEU  29   5.032   8.564   8.388
   10    HB2  LEU  29           2HB      LEU  29   4.925  10.943   8.434
   11    HB3  LEU  29           3HB      LEU  29   4.700  10.375   6.824
   12   HD11  LEU  29          1HD1      LEU  29   6.679   7.200   7.379
   13   HD12  LEU  29          2HD1      LEU  29   6.096   8.251   6.120
   14   HD13  LEU  29          3HD1      LEU  29   7.662   8.597   6.867
   15   HD21  LEU  29          3HD2      LEU  29   7.778   9.673   9.000
   16   HD22  LEU  29          1HD2      LEU  29   6.350   9.783  10.060
   17   HD23  LEU  29          2HD2      LEU  29   7.033   8.194   9.646
   18    H    SER  30           H        SER  30   6.854   9.657   5.333
   19    HA   SER  30           HA       SER  30   7.148  11.118   2.911
   20    HG   SER  30           HG       SER  30   7.602   7.541   4.039
   21    HB2  SER  30           2HB      SER  30   5.991   8.365   3.034
   22    HB3  SER  30           3HB      SER  30   7.176   9.012   1.896
   23    H    ASN  31           H        ASN  31   4.400  10.876   4.747
   24    HA   ASN  31           HA       ASN  31   2.210  11.086   4.613
   25    HB2  ASN  31           2HB      ASN  31   2.825  13.111   2.515
   26    HB3  ASN  31           3HB      ASN  31   1.497  13.125   3.649
   27   HD21  ASN  31          2HD2      ASN  31   3.862  15.007   3.147
   28   HD22  ASN  31          1HD2      ASN  31   4.542  15.214   4.751
   29    H    THR  32           H        THR  32   3.250   9.624   1.694
   30    HA   THR  32           HA       THR  32   0.421   9.390   0.758
   31    HB   THR  32           HB       THR  32   1.032   9.973  -1.434
   32    HG1  THR  32           1HG      THR  32   2.993  10.134  -2.143
   33   HG21  THR  32          1HG2      THR  32   0.818  11.933   0.172
   34   HG22  THR  32          2HG2      THR  32   2.595  12.006   0.169
   35   HG23  THR  32          3HG2      THR  32   1.695  12.225  -1.339
   36    H    ARG  33           H        ARG  33   1.973   7.046   1.981
   37    HA   ARG  33           HA       ARG  33   2.325   5.415  -0.504
   38    HE   ARG  33           HE       ARG  33   6.274   7.542  -2.031
   39    HB2  ARG  33           2HB      ARG  33   4.415   5.737   1.625
   40    HB3  ARG  33           3HB      ARG  33   4.348   4.413   0.465
   41    HG2  ARG  33           2HG      ARG  33   5.939   5.658  -0.407
   42    HG3  ARG  33           3HG      ARG  33   4.517   6.022  -1.381
   43    HD2  ARG  33           2HD      ARG  33   4.314   8.184  -0.045
   44    HD3  ARG  33           3HD      ARG  33   5.832   7.742   0.744
   45   HH11  ARG  33          2HH1      ARG  33   5.553  10.308   0.050
   46   HH12  ARG  33          1HH1      ARG  33   6.387  11.388  -1.014
   47   HH21  ARG  33          1HH2      ARG  33   6.925   9.060  -3.459
   48   HH22  ARG  33          2HH2      ARG  33   7.149  10.706  -2.931
   49    H    LEU  34           H        LEU  34   1.624   3.516  -0.482
   50    HA   LEU  34           HA       LEU  34   0.562   2.443   2.044
   51    HG   LEU  34           HG       LEU  34  -2.322   3.110  -0.242
   52    HB2  LEU  34           2HB      LEU  34  -0.288   1.581  -0.624
   53    HB3  LEU  34           3HB      LEU  34  -1.164   1.470   0.850
   54   HD11  LEU  34          1HD1      LEU  34  -1.566   3.991   2.017
   55   HD12  LEU  34          2HD1      LEU  34  -0.470   5.058   1.142
   56   HD13  LEU  34          3HD1      LEU  34  -2.194   5.156   0.869
   57   HD21  LEU  34          3HD2      LEU  34  -0.355   5.064  -1.155
   58   HD22  LEU  34          1HD2      LEU  34  -0.066   3.470  -1.847
   59   HD23  LEU  34          2HD2      LEU  34  -1.635   4.205  -2.033
   60    H    PHE  35           H        PHE  35   1.535   0.848   3.001
   61    HA   PHE  35           HA       PHE  35   3.500  -0.753   1.491
   62    HD1  PHE  35           HD2      PHE  35   4.916  -2.378   2.059
   63    HD2  PHE  35           HD1      PHE  35   5.507  -0.142   5.706
   64    HE1  PHE  35           HE2      PHE  35   6.667  -3.959   2.739
   65    HE2  PHE  35           HE1      PHE  35   7.277  -1.755   6.379
   66    HZ   PHE  35           HZ       PHE  35   7.852  -3.662   4.894
   67    HB2  PHE  35           2HB      PHE  35   4.535   0.651   2.885
   68    HB3  PHE  35           3HB      PHE  35   3.647   0.508   4.234
   69    H    VAL  36           H        VAL  36   2.674  -2.438   0.917
   70    HA   VAL  36           HA       VAL  36   0.504  -3.805   2.453
   71    HB   VAL  36           HB       VAL  36   0.881  -2.770  -0.356
   72   HG11  VAL  36          1HG1      VAL  36  -1.304  -4.584   0.447
   73   HG12  VAL  36          2HG1      VAL  36  -1.431  -3.350  -0.838
   74   HG13  VAL  36          3HG1      VAL  36  -0.212  -4.571  -0.998
   75   HG21  VAL  36          3HG2      VAL  36  -1.235  -1.504   0.258
   76   HG22  VAL  36          1HG2      VAL  36  -1.348  -2.461   1.746
   77   HG23  VAL  36          2HG2      VAL  36  -0.071  -1.241   1.519
   78    H    ARG  37           H        ARG  37   1.741  -5.286   3.301
   79    HA   ARG  37           HA       ARG  37   3.358  -7.103   1.562
   80    HE   ARG  37           HE       ARG  37   4.291  -4.494   6.949
   81    HB2  ARG  37           2HB      ARG  37   5.012  -7.110   3.417
   82    HB3  ARG  37           3HB      ARG  37   4.798  -5.564   2.633
   83    HG2  ARG  37           2HG      ARG  37   3.845  -4.575   4.502
   84    HG3  ARG  37           3HG      ARG  37   3.207  -6.096   5.146
   85    HD2  ARG  37           2HD      ARG  37   5.366  -6.825   5.884
   86    HD3  ARG  37           3HD      ARG  37   6.185  -5.545   4.985
   87   HH11  ARG  37          1HH2      ARG  37   7.617  -5.650   6.698
   88   HH12  ARG  37          2HH2      ARG  37   8.090  -4.663   8.067
   89   HH21  ARG  37          2HH1      ARG  37   5.094  -3.296   8.713
   90   HH22  ARG  37          1HH1      ARG  37   6.781  -3.604   9.175
   91    HA   PRO  38           HA       PRO  38   1.241  -9.961   4.722
   92    HB2  PRO  38           2HB      PRO  38  -1.326 -10.435   4.000
   93    HB3  PRO  38           3HB      PRO  38  -0.902  -8.981   4.949
   94    HG2  PRO  38           2HG      PRO  38  -1.260  -9.117   1.957
   95    HG3  PRO  38           3HG      PRO  38  -2.047  -8.040   3.135
   96    HD2  PRO  38           2HD      PRO  38   0.194  -7.247   1.837
   97    HD3  PRO  38           3HD      PRO  38  -0.036  -6.846   3.562
   98    H    PHE  39           H        PHE  39   0.810  -9.744   1.245
   99    HA   PHE  39           HA       PHE  39  -0.041 -12.446   0.828
  100    HD1  PHE  39           HD2      PHE  39   1.406  -8.624  -0.524
  101    HD2  PHE  39           HD1      PHE  39  -2.459 -10.539  -0.824
  102    HE1  PHE  39           HE2      PHE  39   0.312  -6.466  -0.514
  103    HE2  PHE  39           HE1      PHE  39  -3.550  -8.300  -0.877
  104    HZ   PHE  39           HZ       PHE  39  -2.184  -6.260  -0.762
  105    HB2  PHE  39           2HB      PHE  39   1.084 -10.942  -1.478
  106    HB3  PHE  39           3HB      PHE  39  -0.438 -11.779  -1.319
  107    HA   PRO  40           HA       PRO  40   3.845 -14.200  -0.399
  108    HB2  PRO  40           2HB      PRO  40   2.194 -15.803  -2.391
  109    HB3  PRO  40           3HB      PRO  40   3.392 -16.396  -1.206
  110    HG2  PRO  40           2HG      PRO  40   0.720 -16.689  -0.784
  111    HG3  PRO  40           3HG      PRO  40   1.832 -16.274   0.557
  112    HD2  PRO  40           2HD      PRO  40   0.039 -14.427  -1.022
  113    HD3  PRO  40           3HD      PRO  40   0.362 -14.489   0.726
  114    H    LEU  41           H        LEU  41   4.658 -15.116  -2.846
  115    HA   LEU  41           HA       LEU  41   5.011 -12.785  -4.537
  116    HG   LEU  41           HG       LEU  41   7.401 -13.049  -4.505
  117    HB2  LEU  41           2HB      LEU  41   5.886 -15.697  -4.674
  118    HB3  LEU  41           3HB      LEU  41   6.162 -14.574  -5.997
  119   HD11  LEU  41          1HD1      LEU  41   7.281 -15.364  -2.521
  120   HD12  LEU  41          2HD1      LEU  41   8.419 -14.005  -2.431
  121   HD13  LEU  41          3HD1      LEU  41   6.694 -13.706  -2.250
  122   HD21  LEU  41          3HD2      LEU  41   9.434 -14.433  -4.528
  123   HD22  LEU  41          1HD2      LEU  41   8.431 -15.892  -4.743
  124   HD23  LEU  41          2HD2      LEU  41   8.483 -14.643  -6.007
  125    H    ASP  42           H        ASP  42   2.361 -13.228  -4.276
  126    HA   ASP  42           HA       ASP  42   1.418 -13.843  -7.034
  127    HB2  ASP  42           2HB      ASP  42  -0.583 -14.783  -6.123
  128    HB3  ASP  42           3HB      ASP  42   0.846 -15.684  -5.612
  129    H    VAL  43           H        VAL  43   1.759 -11.345  -4.954
  130    HA   VAL  43           HA       VAL  43  -0.651  -9.888  -5.939
  131    HB   VAL  43           HB       VAL  43  -0.211  -9.599  -3.577
  132   HG11  VAL  43          1HG1      VAL  43   2.188  -9.979  -3.511
  133   HG12  VAL  43          2HG1      VAL  43   2.498  -8.471  -4.403
  134   HG13  VAL  43          3HG1      VAL  43   1.812  -8.403  -2.781
  135   HG21  VAL  43          3HG2      VAL  43   0.431  -7.008  -5.058
  136   HG22  VAL  43          1HG2      VAL  43  -1.192  -7.703  -4.875
  137   HG23  VAL  43          2HG2      VAL  43  -0.284  -7.191  -3.450
  138    H    GLN  44           H        GLN  44  -0.522  -8.245  -7.368
  139    HA   GLN  44           HA       GLN  44   2.045  -7.237  -8.375
  140    HB2  GLN  44           2HB      GLN  44   0.021  -8.499 -10.287
  141    HB3  GLN  44           3HB      GLN  44   1.477  -7.641 -10.702
  142    HG2  GLN  44           2HG      GLN  44   1.977  -9.854 -11.068
  143    HG3  GLN  44           3HG      GLN  44   2.844  -9.387  -9.594
  144   HE21  GLN  44          2HE2      GLN  44  -0.663 -10.270  -9.473
  145   HE22  GLN  44          1HE2      GLN  44  -0.325 -11.735  -8.573
  146    H    GLU  45           H        GLU  45   1.475  -5.528 -10.161
  147    HA   GLU  45           HA       GLU  45  -0.139  -3.507  -9.066
  148    HB2  GLU  45           2HB      GLU  45   0.248  -2.283 -11.009
  149    HB3  GLU  45           3HB      GLU  45   1.685  -3.277 -10.816
  150    HG2  GLU  45           2HG      GLU  45  -0.640  -3.731 -12.724
  151    HG3  GLU  45           3HG      GLU  45   0.962  -3.149 -13.160
  152    H    SER  46           H        SER  46  -1.232  -6.141 -11.163
  153    HA   SER  46           HA       SER  46  -3.812  -5.027 -11.768
  154    HG   SER  46           HG       SER  46  -1.792  -6.584 -13.248
  155    HB2  SER  46           2HB      SER  46  -2.809  -7.898 -11.674
  156    HB3  SER  46           3HB      SER  46  -4.380  -7.397 -12.322
  157    H    GLU  47           H        GLU  47  -2.598  -6.773  -8.883
  158    HA   GLU  47           HA       GLU  47  -5.280  -7.483  -7.876
  159    HB2  GLU  47           2HB      GLU  47  -2.351  -7.882  -7.105
  160    HB3  GLU  47           3HB      GLU  47  -3.620  -8.136  -5.954
  161    HG2  GLU  47           2HG      GLU  47  -2.991 -10.232  -6.993
  162    HG3  GLU  47           3HG      GLU  47  -4.670  -9.828  -7.366
  163    H    LEU  48           H        LEU  48  -2.545  -5.257  -7.414
  164    HA   LEU  48           HA       LEU  48  -3.725  -3.703  -5.287
  165    HG   LEU  48           HG       LEU  48  -1.012  -4.925  -5.830
  166    HB2  LEU  48           2HB      LEU  48  -1.711  -3.012  -7.454
  167    HB3  LEU  48           3HB      LEU  48  -2.050  -2.069  -6.083
  168   HD11  LEU  48          1HD1      LEU  48   0.608  -2.378  -5.633
  169   HD12  LEU  48          2HD1      LEU  48   1.162  -4.063  -5.595
  170   HD13  LEU  48          3HD1      LEU  48   0.504  -3.374  -7.091
  171   HD21  LEU  48          3HD2      LEU  48  -0.212  -4.145  -3.689
  172   HD22  LEU  48          1HD2      LEU  48  -0.952  -2.532  -3.982
  173   HD23  LEU  48          2HD2      LEU  48  -1.973  -4.009  -3.783
  174    H    ASN  49           H        ASN  49  -3.895  -3.603  -8.886
  175    HA   ASN  49           HA       ASN  49  -5.616  -1.273  -8.971
  176    HB2  ASN  49           2HB      ASN  49  -4.945  -3.420 -10.924
  177    HB3  ASN  49           3HB      ASN  49  -6.503  -2.653 -11.145
  178   HD21  ASN  49          2HD2      ASN  49  -3.031  -1.972 -10.886
  179   HD22  ASN  49          1HD2      ASN  49  -3.118  -0.484 -11.839
  180    H    GLU  50           H        GLU  50  -6.532  -4.736  -8.588
  181    HA   GLU  50           HA       GLU  50  -9.354  -4.256  -8.383
  182    HB2  GLU  50           2HB      GLU  50  -7.449  -6.365  -7.438
  183    HB3  GLU  50           3HB      GLU  50  -9.080  -6.377  -6.779
  184    HG2  GLU  50           2HG      GLU  50  -8.425  -6.368  -9.766
  185    HG3  GLU  50           3HG      GLU  50  -8.664  -7.832  -8.821
  186    H    ILE  51           H        ILE  51  -6.837  -4.082  -5.858
  187    HA   ILE  51           HA       ILE  51  -8.778  -3.603  -3.713
  188    HB   ILE  51           HB       ILE  51  -5.788  -3.679  -3.946
  189   HG12  ILE  51          2HG1      ILE  51  -7.631  -5.641  -2.515
  190   HG13  ILE  51          3HG1      ILE  51  -7.133  -5.838  -4.187
  191   HG21  ILE  51          1HG2      ILE  51  -7.410  -3.399  -1.377
  192   HG22  ILE  51          2HG2      ILE  51  -5.664  -3.729  -1.437
  193   HG23  ILE  51          3HG2      ILE  51  -6.273  -2.195  -2.031
  194   HD11  ILE  51          3HD1      ILE  51  -5.684  -7.209  -2.898
  195   HD12  ILE  51          1HD1      ILE  51  -4.715  -5.821  -3.423
  196   HD13  ILE  51          2HD1      ILE  51  -5.318  -5.916  -1.751
  197    H    PHE  52           H        PHE  52  -6.521  -1.561  -5.522
  198    HA   PHE  52           HA       PHE  52  -6.961   0.811  -3.849
  199    HD1  PHE  52           HD2      PHE  52  -4.672  -1.835  -4.183
  200    HD2  PHE  52           HD1      PHE  52  -3.928   2.313  -3.275
  201    HE1  PHE  52           HE2      PHE  52  -2.965  -2.512  -2.548
  202    HE2  PHE  52           HE1      PHE  52  -2.094   1.624  -1.816
  203    HZ   PHE  52           HZ       PHE  52  -1.479  -0.784  -1.601
  204    HB2  PHE  52           2HB      PHE  52  -4.942   0.211  -5.938
  205    HB3  PHE  52           3HB      PHE  52  -5.134   1.769  -5.185
  206    H    GLY  53           H        GLY  53  -7.728  -0.412  -7.072
  207    HA2  GLY  53           2HA      GLY  53  -8.275   1.883  -8.558
  208    HA3  GLY  53           3HA      GLY  53  -9.166   0.362  -8.656
  209    HA   PRO  54           HA       PRO  54 -12.609   2.241  -6.303
  210    HB2  PRO  54           2HB      PRO  54 -11.774   1.483  -3.517
  211    HB3  PRO  54           3HB      PRO  54 -13.339   1.213  -4.342
  212    HG2  PRO  54           2HG      PRO  54 -11.610  -0.842  -3.988
  213    HG3  PRO  54           3HG      PRO  54 -12.447  -0.653  -5.565
  214    HD2  PRO  54           2HD      PRO  54  -9.713   0.369  -4.766
  215    HD3  PRO  54           3HD      PRO  54 -10.080  -0.694  -6.148
  216    H    PHE  55           H        PHE  55  -9.420   2.906  -4.869
  217    HA   PHE  55           HA       PHE  55 -10.210   5.335  -3.459
  218    HD1  PHE  55           HD1      PHE  55 -10.166   3.390  -2.169
  219    HD2  PHE  55           HD2      PHE  55  -5.940   3.223  -2.972
  220    HE1  PHE  55           HE1      PHE  55 -10.017   1.279  -0.903
  221    HE2  PHE  55           HE2      PHE  55  -5.748   1.252  -1.406
  222    HZ   PHE  55           HZ       PHE  55  -7.829   0.253  -0.458
  223    HB2  PHE  55           2HB      PHE  55  -7.388   4.548  -4.279
  224    HB3  PHE  55           3HB      PHE  55  -7.875   5.579  -2.983
  225    H    GLY  56           H        GLY  56  -8.332   4.522  -6.344
  226    HA2  GLY  56           2HA      GLY  56  -9.047   5.508  -8.382
  227    HA3  GLY  56           3HA      GLY  56  -9.186   7.071  -7.575
  228    HA   PRO  57           HA       PRO  57  -5.360   8.220  -9.066
  229    HB2  PRO  57           2HB      PRO  57  -4.298   9.981  -7.306
  230    HB3  PRO  57           3HB      PRO  57  -5.967  10.145  -7.912
  231    HG2  PRO  57           2HG      PRO  57  -5.063   8.811  -5.334
  232    HG3  PRO  57           3HG      PRO  57  -6.272  10.130  -5.522
  233    HD2  PRO  57           2HD      PRO  57  -6.978   7.490  -5.401
  234    HD3  PRO  57           3HD      PRO  57  -7.867   8.665  -6.419
  235    H    MET  58           H        MET  58  -4.851   5.585  -7.433
  236    HA   MET  58           HA       MET  58  -2.262   5.178  -6.422
  237    HB2  MET  58           2HB      MET  58  -2.319   3.029  -7.536
  238    HB3  MET  58           3HB      MET  58  -3.683   3.408  -6.479
  239    HG2  MET  58           2HG      MET  58  -5.063   3.966  -8.465
  240    HG3  MET  58           3HG      MET  58  -3.730   3.462  -9.509
  241    HE1  MET  58           3HE      MET  58  -3.658  -0.410  -8.094
  242    HE2  MET  58           1HE      MET  58  -2.592   0.861  -8.734
  243    HE3  MET  58           2HE      MET  58  -3.141   0.910  -7.029
  244    H    LYS  59           H        LYS  59  -0.786   6.637  -7.061
  245    HA   LYS  59           HA       LYS  59  -0.206   7.275  -9.808
  246    HB2  LYS  59           2HB      LYS  59  -0.531   8.720  -7.738
  247    HB3  LYS  59           3HB      LYS  59   0.971   8.063  -7.114
  248    HG2  LYS  59           2HG      LYS  59   0.861   9.607  -9.700
  249    HG3  LYS  59           3HG      LYS  59   0.817  10.378  -8.128
  250    HD2  LYS  59           2HD      LYS  59   3.097   8.820  -9.313
  251    HD3  LYS  59           3HD      LYS  59   2.945  10.490  -8.759
  252    HE2  LYS  59           2HE      LYS  59   2.916   9.851  -6.448
  253    HE3  LYS  59           3HE      LYS  59   3.014   8.135  -6.892
  254    HZ1  LYS  59           3HZ      LYS  59   5.220   8.970  -6.353
  255    HZ2  LYS  59           1HZ      LYS  59   5.177   8.630  -7.951
  256    HZ3  LYS  59           2HZ      LYS  59   5.096  10.182  -7.456
  257    H    GLU  60           H        GLU  60   1.343   5.428  -7.197
  258    HA   GLU  60           HA       GLU  60   3.143   4.240  -9.157
  259    HB2  GLU  60           2HB      GLU  60   4.159   6.271  -7.338
  260    HB3  GLU  60           3HB      GLU  60   4.889   4.716  -6.949
  261    HG2  GLU  60           2HG      GLU  60   4.789   5.803  -9.798
  262    HG3  GLU  60           3HG      GLU  60   6.027   6.251  -8.648
  263    H    VAL  61           H        VAL  61   4.276   2.508  -8.553
  264    HA   VAL  61           HA       VAL  61   3.004   0.762  -6.515
  265    HB   VAL  61           HB       VAL  61   2.831   0.070  -9.503
  266   HG11  VAL  61          1HG1      VAL  61   1.182  -0.886  -7.160
  267   HG12  VAL  61          2HG1      VAL  61   1.249  -1.583  -8.790
  268   HG13  VAL  61          3HG1      VAL  61   2.662  -1.694  -7.726
  269   HG21  VAL  61          3HG2      VAL  61   1.361   2.008  -9.402
  270   HG22  VAL  61          1HG2      VAL  61   0.416   0.530  -9.537
  271   HG23  VAL  61          2HG2      VAL  61   0.538   1.348  -7.976
  272    H    LYS  62           H        LYS  62   4.676  -0.175  -5.675
  273    HA   LYS  62           HA       LYS  62   6.940  -1.116  -7.409
  274    HB2  LYS  62           2HB      LYS  62   6.893  -0.297  -4.495
  275    HB3  LYS  62           3HB      LYS  62   8.321  -0.661  -5.425
  276    HG2  LYS  62           2HG      LYS  62   6.568   1.630  -6.402
  277    HG3  LYS  62           3HG      LYS  62   7.392   1.842  -4.897
  278    HD2  LYS  62           2HD      LYS  62   8.705   2.747  -6.760
  279    HD3  LYS  62           3HD      LYS  62   9.565   1.422  -5.986
  280    HE2  LYS  62           2HE      LYS  62   9.870   1.253  -8.356
  281    HE3  LYS  62           3HE      LYS  62   8.878  -0.107  -7.833
  282    HZ1  LYS  62           3HZ      LYS  62   8.088   1.049  -9.895
  283    HZ2  LYS  62           1HZ      LYS  62   6.932   1.018  -8.749
  284    HZ3  LYS  62           2HZ      LYS  62   7.766   2.396  -9.021
  285    H    ILE  63           H        ILE  63   6.891  -3.213  -7.653
  286    HA   ILE  63           HA       ILE  63   5.524  -4.957  -5.634
  287    HB   ILE  63           HB       ILE  63   6.086  -5.678  -8.519
  288   HG12  ILE  63          2HG1      ILE  63   4.626  -3.756  -8.690
  289   HG13  ILE  63          3HG1      ILE  63   3.850  -5.240  -9.196
  290   HG21  ILE  63          1HG2      ILE  63   5.695  -7.582  -7.046
  291   HG22  ILE  63          2HG2      ILE  63   4.205  -6.853  -6.432
  292   HG23  ILE  63          3HG2      ILE  63   4.319  -7.383  -8.122
  293   HD11  ILE  63          3HD1      ILE  63   3.321  -3.751  -6.584
  294   HD12  ILE  63          1HD1      ILE  63   2.287  -3.891  -8.015
  295   HD13  ILE  63          2HD1      ILE  63   2.578  -5.307  -7.018
  296    H    LEU  64           H        LEU  64   6.760  -6.254  -4.501
  297    HA   LEU  64           HA       LEU  64   9.336  -7.374  -5.537
  298    HG   LEU  64           HG       LEU  64  10.593  -5.021  -4.764
  299    HB2  LEU  64           2HB      LEU  64   8.839  -6.417  -2.713
  300    HB3  LEU  64           3HB      LEU  64  10.316  -7.015  -3.397
  301   HD11  LEU  64          1HD1      LEU  64   8.860  -3.730  -5.272
  302   HD12  LEU  64          2HD1      LEU  64   7.938  -4.152  -3.810
  303   HD13  LEU  64          3HD1      LEU  64   9.224  -2.927  -3.764
  304   HD21  LEU  64          3HD2      LEU  64  11.149  -3.543  -2.878
  305   HD22  LEU  64          1HD2      LEU  64  10.220  -4.638  -1.820
  306   HD23  LEU  64          2HD2      LEU  64  11.662  -5.227  -2.657
  307    H    ASN  65           H        ASN  65  10.042  -9.140  -4.003
  308    HA   ASN  65           HA       ASN  65   8.474 -11.366  -3.671
  309    HB2  ASN  65           2HB      ASN  65   9.957 -11.606  -1.477
  310    HB3  ASN  65           3HB      ASN  65  10.615 -11.828  -3.096
  311   HD21  ASN  65          2HD2      ASN  65   9.936  -9.053  -0.888
  312   HD22  ASN  65          1HD2      ASN  65  11.523  -8.301  -1.109
  313    H    GLY  66           H        GLY  66   6.349 -11.224  -2.987
  314    HA2  GLY  66           2HA      GLY  66   4.678 -11.345  -1.382
  315    HA3  GLY  66           3HA      GLY  66   5.917 -11.170  -0.149
  316    H    PHE  67           H        PHE  67   6.368  -8.507  -2.050
  317    HA   PHE  67           HA       PHE  67   4.630  -6.844  -0.245
  318    HD1  PHE  67           HD1      PHE  67   5.677  -7.990   1.522
  319    HD2  PHE  67           HD2      PHE  67   9.356  -6.261   0.102
  320    HE1  PHE  67           HE1      PHE  67   6.888  -9.114   3.337
  321    HE2  PHE  67           HE2      PHE  67  10.589  -7.417   1.917
  322    HZ   PHE  67           HZ       PHE  67   9.365  -8.845   3.552
  323    HB2  PHE  67           2HB      PHE  67   7.369  -6.112  -1.217
  324    HB3  PHE  67           3HB      PHE  67   6.412  -5.309  -0.001
  325    H    ALA  68           H        ALA  68   3.851  -4.991  -0.858
  326    HA   ALA  68           HA       ALA  68   4.198  -3.808  -3.612
  327    HB1  ALA  68           1HB      ALA  68   1.864  -3.248  -3.498
  328    HB2  ALA  68           2HB      ALA  68   2.143  -5.010  -3.608
  329    HB3  ALA  68           3HB      ALA  68   1.672  -4.269  -2.064
  330    H    PHE  69           H        PHE  69   4.767  -1.773  -3.465
  331    HA   PHE  69           HA       PHE  69   4.009  -0.229  -1.069
  332    HD1  PHE  69           HD2      PHE  69   6.915  -2.223  -2.696
  333    HD2  PHE  69           HD1      PHE  69   7.137  -0.001   0.988
  334    HE1  PHE  69           HE2      PHE  69   8.180  -4.048  -1.668
  335    HE2  PHE  69           HE1      PHE  69   8.604  -1.764   1.935
  336    HZ   PHE  69           HZ       PHE  69   9.185  -3.803   0.522
  337    HB2  PHE  69           2HB      PHE  69   6.611   0.412  -2.461
  338    HB3  PHE  69           3HB      PHE  69   6.031   0.963  -0.915
  339    H    VAL  70           H        VAL  70   2.308   0.603  -1.916
  340    HA   VAL  70           HA       VAL  70   2.335   1.808  -4.615
  341    HB   VAL  70           HB       VAL  70  -0.055   1.554  -2.758
  342   HG11  VAL  70          1HG1      VAL  70  -0.449   2.821  -4.934
  343   HG12  VAL  70          2HG1      VAL  70   0.113   1.316  -5.765
  344   HG13  VAL  70          3HG1      VAL  70  -1.347   1.278  -4.778
  345   HG21  VAL  70          3HG2      VAL  70  -0.604  -0.461  -4.104
  346   HG22  VAL  70          1HG2      VAL  70   1.057  -0.343  -4.788
  347   HG23  VAL  70          2HG2      VAL  70   0.778  -0.673  -3.006
  348    H    GLU  71           H        GLU  71   1.329   3.966  -4.834
  349    HA   GLU  71           HA       GLU  71   2.047   5.864  -2.626
  350    HB2  GLU  71           2HB      GLU  71   4.103   5.024  -3.881
  351    HB3  GLU  71           3HB      GLU  71   3.389   5.667  -5.345
  352    HG2  GLU  71           2HG      GLU  71   3.527   7.914  -4.631
  353    HG3  GLU  71           3HG      GLU  71   3.817   7.463  -2.960
  354    H    PHE  72           H        PHE  72   1.366   7.907  -2.997
  355    HA   PHE  72           HA       PHE  72  -0.102   8.623  -5.493
  356    HD1  PHE  72           HD1      PHE  72  -2.562   7.436  -5.421
  357    HD2  PHE  72           HD2      PHE  72  -1.675   7.855  -1.241
  358    HE1  PHE  72           HE1      PHE  72  -4.178   5.611  -4.893
  359    HE2  PHE  72           HE2      PHE  72  -3.314   6.063  -0.734
  360    HZ   PHE  72           HZ       PHE  72  -4.561   4.949  -2.546
  361    HB2  PHE  72           2HB      PHE  72  -0.907   9.479  -2.714
  362    HB3  PHE  72           3HB      PHE  72  -1.760   9.695  -4.217
  363    H    GLU  73           H        GLU  73  -0.324  11.004  -5.713
  364    HA   GLU  73           HA       GLU  73   2.280  12.267  -5.048
  365    HB2  GLU  73           2HB      GLU  73   1.782  13.901  -6.767
  366    HB3  GLU  73           3HB      GLU  73   1.817  12.241  -7.334
  367    HG2  GLU  73           2HG      GLU  73  -0.684  12.196  -7.333
  368    HG3  GLU  73           3HG      GLU  73  -0.705  13.860  -6.751
  369    H    GLU  74           H        GLU  74  -0.783  12.267  -3.664
  370    HA   GLU  74           HA       GLU  74  -0.020  14.511  -1.944
  371    HB2  GLU  74           2HB      GLU  74  -2.392  15.427  -1.969
  372    HB3  GLU  74           3HB      GLU  74  -1.337  15.838  -3.304
  373    HG2  GLU  74           2HG      GLU  74  -3.698  15.345  -3.952
  374    HG3  GLU  74           3HG      GLU  74  -2.478  14.447  -4.839
  375    H    ALA  75           H        ALA  75  -1.952  14.605  -0.111
  376    HA   ALA  75           HA       ALA  75  -1.746  11.859   1.006
  377    HB1  ALA  75           1HB      ALA  75  -0.393  13.655   2.015
  378    HB2  ALA  75           2HB      ALA  75  -1.880  14.554   2.403
  379    HB3  ALA  75           3HB      ALA  75  -1.563  12.975   3.156
  380    H    GLU  76           H        GLU  76  -4.297  13.545  -0.328
  381    HA   GLU  76           HA       GLU  76  -6.352  12.910   1.728
  382    HB2  GLU  76           2HB      GLU  76  -6.685  13.630  -1.201
  383    HB3  GLU  76           3HB      GLU  76  -7.941  13.619   0.023
  384    HG2  GLU  76           2HG      GLU  76  -5.602  15.557  -0.169
  385    HG3  GLU  76           3HG      GLU  76  -7.304  15.912  -0.429
  386    H    SER  77           H        SER  77  -5.059  11.697  -1.305
  387    HA   SER  77           HA       SER  77  -6.652   9.364  -1.749
  388    HG   SER  77           HG       SER  77  -3.379  11.019  -2.950
  389    HB2  SER  77           2HB      SER  77  -4.595   8.719  -3.034
  390    HB3  SER  77           3HB      SER  77  -5.192  10.339  -3.394
  391    H    ALA  78           H        ALA  78  -3.544   9.834  -0.085
  392    HA   ALA  78           HA       ALA  78  -3.341   7.230   1.051
  393    HB1  ALA  78           1HB      ALA  78  -1.514   8.826   0.890
  394    HB2  ALA  78           2HB      ALA  78  -2.237   9.822   2.177
  395    HB3  ALA  78           3HB      ALA  78  -1.676   8.164   2.521
  396    H    ALA  79           H        ALA  79  -4.800  10.200   2.551
  397    HA   ALA  79           HA       ALA  79  -5.681   9.033   4.933
  398    HB1  ALA  79           1HB      ALA  79  -5.761  11.435   4.446
  399    HB2  ALA  79           2HB      ALA  79  -7.089  11.166   3.293
  400    HB3  ALA  79           3HB      ALA  79  -7.323  10.825   5.018
  401    H    LYS  80           H        LYS  80  -7.534   9.060   1.779
  402    HA   LYS  80           HA       LYS  80  -9.556   7.428   2.989
  403    HB2  LYS  80           2HB      LYS  80 -10.576   7.232   0.860
  404    HB3  LYS  80           3HB      LYS  80  -9.940   8.882   0.956
  405    HG2  LYS  80           2HG      LYS  80  -8.080   8.272  -0.493
  406    HG3  LYS  80           3HG      LYS  80  -8.572   6.567  -0.487
  407    HD2  LYS  80           2HD      LYS  80  -9.362   7.203  -2.475
  408    HD3  LYS  80           3HD      LYS  80 -10.806   7.435  -1.488
  409    HE2  LYS  80           2HE      LYS  80 -10.323   9.888  -1.456
  410    HE3  LYS  80           3HE      LYS  80  -8.842   9.596  -2.388
  411    HZ1  LYS  80           3HZ      LYS  80 -10.251   8.671  -4.184
  412    HZ2  LYS  80           1HZ      LYS  80 -11.599   9.058  -3.348
  413    HZ3  LYS  80           2HZ      LYS  80 -10.613  10.242  -3.879
  414    H    ALA  81           H        ALA  81  -6.697   6.560   1.088
  415    HA   ALA  81           HA       ALA  81  -7.228   3.807   0.768
  416    HB1  ALA  81           1HB      ALA  81  -5.416   4.965  -0.332
  417    HB2  ALA  81           2HB      ALA  81  -4.548   5.143   1.210
  418    HB3  ALA  81           3HB      ALA  81  -4.835   3.531   0.513
  419    H    ILE  82           H        ILE  82  -5.552   5.520   3.471
  420    HA   ILE  82           HA       ILE  82  -5.168   3.413   5.240
  421    HB   ILE  82           HB       ILE  82  -5.847   6.301   5.813
  422   HG12  ILE  82          2HG1      ILE  82  -3.126   5.158   6.372
  423   HG13  ILE  82          3HG1      ILE  82  -3.515   5.449   4.690
  424   HG21  ILE  82          1HG2      ILE  82  -6.394   5.041   7.856
  425   HG22  ILE  82          2HG2      ILE  82  -4.805   4.244   7.807
  426   HG23  ILE  82          3HG2      ILE  82  -4.935   5.983   8.103
  427   HD11  ILE  82          3HD1      ILE  82  -3.652   7.499   6.941
  428   HD12  ILE  82          1HD1      ILE  82  -2.461   7.433   5.614
  429   HD13  ILE  82          2HD1      ILE  82  -4.173   7.774   5.282
  430    H    GLU  83           H        GLU  83  -8.007   5.645   5.220
  431    HA   GLU  83           HA       GLU  83  -9.436   4.121   7.168
  432    HB2  GLU  83           2HB      GLU  83 -10.381   6.137   5.119
  433    HB3  GLU  83           3HB      GLU  83 -11.403   5.476   6.404
  434    HG2  GLU  83           2HG      GLU  83  -8.799   7.018   6.866
  435    HG3  GLU  83           3HG      GLU  83 -10.420   7.686   6.965
  436    H    GLU  84           H        GLU  84  -9.116   3.517   3.751
  437    HA   GLU  84           HA       GLU  84 -11.478   1.780   3.494
  438    HB2  GLU  84           2HB      GLU  84  -9.092   2.407   1.719
  439    HB3  GLU  84           3HB      GLU  84 -10.282   1.196   1.289
  440    HG2  GLU  84           2HG      GLU  84 -11.183   4.009   1.881
  441    HG3  GLU  84           3HG      GLU  84 -10.449   3.624   0.336
  442    H    VAL  85           H        VAL  85  -7.945   1.290   3.918
  443    HA   VAL  85           HA       VAL  85  -8.414  -1.621   4.369
  444    HB   VAL  85           HB       VAL  85  -8.341  -1.292   2.005
  445   HG11  VAL  85          1HG1      VAL  85  -5.674   0.005   2.442
  446   HG12  VAL  85          2HG1      VAL  85  -6.154  -0.671   0.880
  447   HG13  VAL  85          3HG1      VAL  85  -7.087   0.641   1.618
  448   HG21  VAL  85          3HG2      VAL  85  -6.820  -2.967   1.343
  449   HG22  VAL  85          1HG2      VAL  85  -5.770  -2.681   2.733
  450   HG23  VAL  85          2HG2      VAL  85  -7.387  -3.393   2.967
  451    H    HIS  86           H        HIS  86  -6.584   1.048   5.471
  452    HA   HIS  86           HA       HIS  86  -4.233  -0.412   6.330
  453    HD1  HIS  86           HD1      HIS  86  -1.972   2.201   7.032
  454    HD2  HIS  86           HD2      HIS  86  -4.405   0.669  10.086
  455    HE1  HIS  86           HE1      HIS  86  -0.423   1.775   9.029
  456    HB2  HIS  86           2HB      HIS  86  -4.432   2.046   6.406
  457    HB3  HIS  86           3HB      HIS  86  -5.564   1.919   7.749
  458    H    GLY  87           H        GLY  87  -4.292  -2.242   7.539
  459    HA2  GLY  87           2HA      GLY  87  -4.179  -3.127   9.734
  460    HA3  GLY  87           3HA      GLY  87  -5.428  -2.014  10.281
  461    H    LYS  88           H        LYS  88  -6.468  -3.112   7.409
  462    HA   LYS  88           HA       LYS  88  -8.416  -5.113   8.321
  463    HB2  LYS  88           2HB      LYS  88  -7.564  -3.793   5.709
  464    HB3  LYS  88           3HB      LYS  88  -8.620  -5.115   5.717
  465    HG2  LYS  88           2HG      LYS  88  -9.918  -3.088   5.537
  466    HG3  LYS  88           3HG      LYS  88 -10.291  -3.827   7.098
  467    HD2  LYS  88           2HD      LYS  88  -9.057  -2.177   8.306
  468    HD3  LYS  88           3HD      LYS  88  -8.158  -1.694   6.867
  469    HE2  LYS  88           2HE      LYS  88 -10.331  -0.873   5.873
  470    HE3  LYS  88           3HE      LYS  88 -11.068  -1.111   7.461
  471    HZ1  LYS  88           3HZ      LYS  88 -10.272   1.178   7.152
  472    HZ2  LYS  88           1HZ      LYS  88  -9.439   0.467   8.373
  473    HZ3  LYS  88           2HZ      LYS  88  -8.737   0.675   6.923
  474    H    SER  89           H        SER  89  -8.219  -7.286   7.830
  475    HA   SER  89           HA       SER  89  -5.454  -8.258   7.477
  476    HG   SER  89           HG       SER  89  -8.599 -10.070   7.649
  477    HB2  SER  89           2HB      SER  89  -6.395 -10.418   8.259
  478    HB3  SER  89           3HB      SER  89  -6.564  -9.073   9.391
  479    H    PHE  90           H        PHE  90  -4.837  -8.325   5.306
  480    HA   PHE  90           HA       PHE  90  -6.672  -9.778   3.413
  481    HD1  PHE  90           HD1      PHE  90  -4.048 -10.471   1.118
  482    HD2  PHE  90           HD2      PHE  90  -7.053  -7.375   1.078
  483    HE1  PHE  90           HE1      PHE  90  -4.865 -11.285  -1.080
  484    HE2  PHE  90           HE2      PHE  90  -7.795  -8.128  -1.157
  485    HZ   PHE  90           HZ       PHE  90  -6.759 -10.135  -2.191
  486    HB2  PHE  90           2HB      PHE  90  -5.709  -7.588   2.880
  487    HB3  PHE  90           3HB      PHE  90  -4.121  -8.265   2.849
  488    H    ALA  91           H        ALA  91  -6.147 -11.688   2.518
  489    HA   ALA  91           HA       ALA  91  -5.464 -13.804   2.357
  490    HB1  ALA  91           1HB      ALA  91  -3.616 -12.804   1.161
  491    HB2  ALA  91           2HB      ALA  91  -2.699 -12.574   2.672
  492    HB3  ALA  91           3HB      ALA  91  -3.045 -14.211   2.080
  493    H    ASN  92           H        ASN  92  -3.329 -12.623   4.966
  494    HA   ASN  92           HA       ASN  92  -4.526 -14.414   6.951
  495    HB2  ASN  92           2HB      ASN  92  -2.451 -15.634   7.454
  496    HB3  ASN  92           3HB      ASN  92  -2.950 -15.927   5.798
  497   HD21  ASN  92          2HD2      ASN  92  -0.553 -14.202   7.824
  498   HD22  ASN  92          1HD2      ASN  92   0.563 -13.940   6.495
  499    H    GLN  93           H        GLN  93  -3.127 -11.407   6.255
  500    HA   GLN  93           HA       GLN  93  -2.775 -10.693   9.060
  501    HB2  GLN  93           2HB      GLN  93  -0.389 -10.190   8.962
  502    HB3  GLN  93           3HB      GLN  93  -0.691 -11.889   8.697
  503    HG2  GLN  93           2HG      GLN  93  -0.501 -11.324   6.162
  504    HG3  GLN  93           3HG      GLN  93   0.216  -9.800   6.721
  505   HE21  GLN  93          2HE2      GLN  93   1.375 -12.282   5.213
  506   HE22  GLN  93          1HE2      GLN  93   2.747 -12.714   6.225
  507    HA   PRO  94           HA       PRO  94  -3.851  -6.934   7.426
  508    HB2  PRO  94           2HB      PRO  94  -3.041  -5.023   9.269
  509    HB3  PRO  94           3HB      PRO  94  -4.291  -6.256   9.622
  510    HG2  PRO  94           2HG      PRO  94  -1.309  -6.396  10.213
  511    HG3  PRO  94           3HG      PRO  94  -2.673  -6.680  11.350
  512    HD2  PRO  94           2HD      PRO  94  -1.393  -8.705  10.120
  513    HD3  PRO  94           3HD      PRO  94  -3.176  -8.747  10.294
  514    H    LEU  95           H        LEU  95  -3.586  -4.995   6.543
  515    HA   LEU  95           HA       LEU  95  -1.091  -4.459   5.117
  516    HG   LEU  95           HG       LEU  95  -3.749  -3.813   2.702
  517    HB2  LEU  95           2HB      LEU  95  -3.878  -3.232   5.260
  518    HB3  LEU  95           3HB      LEU  95  -2.623  -2.602   4.248
  519   HD11  LEU  95          1HD1      LEU  95  -1.483  -4.770   2.751
  520   HD12  LEU  95          2HD1      LEU  95  -2.095  -6.035   3.833
  521   HD13  LEU  95          3HD1      LEU  95  -2.712  -5.913   2.166
  522   HD21  LEU  95          3HD2      LEU  95  -5.097  -5.565   2.898
  523   HD22  LEU  95          1HD2      LEU  95  -4.429  -6.092   4.474
  524   HD23  LEU  95          2HD2      LEU  95  -5.427  -4.612   4.337
  525    H    GLU  96           H        GLU  96   0.015  -2.510   5.057
  526    HA   GLU  96           HA       GLU  96  -0.264  -0.627   7.346
  527    HB2  GLU  96           2HB      GLU  96   1.562  -2.276   7.574
  528    HB3  GLU  96           3HB      GLU  96   2.323  -1.673   6.105
  529    HG2  GLU  96           2HG      GLU  96   2.664   0.514   7.139
  530    HG3  GLU  96           3HG      GLU  96   1.829  -0.010   8.608
  531    H    VAL  97           H        VAL  97  -1.698  -0.201   5.314
  532    HA   VAL  97           HA       VAL  97  -0.763   1.278   3.022
  533    HB   VAL  97           HB       VAL  97  -3.362   1.105   4.563
  534   HG11  VAL  97          1HG1      VAL  97  -4.564   1.909   2.578
  535   HG12  VAL  97          2HG1      VAL  97  -3.521   3.167   3.252
  536   HG13  VAL  97          3HG1      VAL  97  -3.059   2.277   1.775
  537   HG21  VAL  97          3HG2      VAL  97  -2.140  -0.841   3.034
  538   HG22  VAL  97          1HG2      VAL  97  -3.877  -0.739   3.251
  539   HG23  VAL  97          2HG2      VAL  97  -3.097  -0.064   1.785
  540    H    VAL  98           H        VAL  98   0.520   3.280   3.597
  541    HA   VAL  98           HA       VAL  98  -0.828   5.104   5.466
  542    HB   VAL  98           HB       VAL  98   0.247   2.935   6.538
  543   HG11  VAL  98          1HG1      VAL  98   2.306   2.778   7.335
  544   HG12  VAL  98          2HG1      VAL  98   2.524   3.068   5.616
  545   HG13  VAL  98          3HG1      VAL  98   2.831   4.361   6.836
  546   HG21  VAL  98          3HG2      VAL  98  -1.022   4.424   7.581
  547   HG22  VAL  98          1HG2      VAL  98   0.398   4.061   8.596
  548   HG23  VAL  98          2HG2      VAL  98   0.304   5.632   7.735
  549    H    TYR  99           H        TYR  99   2.156   5.689   6.113
  550    HA   TYR  99           HA       TYR  99   2.820   7.444   3.790
  551    HD1  TYR  99           HD2      TYR  99   1.030   8.607   4.287
  552    HD2  TYR  99           HD1      TYR  99   2.773   9.312   8.175
  553    HE1  TYR  99           HE2      TYR  99  -0.821  10.124   4.825
  554    HE2  TYR  99           HE1      TYR  99   0.856  10.788   8.746
  555    HH   TYR  99           HH       TYR  99  -1.794  11.471   6.435
  556    HB2  TYR  99           2HB      TYR  99   3.686   7.579   6.707
  557    HB3  TYR  99           3HB      TYR  99   4.043   8.742   5.443
  558    H    SER 100           H        SER 100   3.271   4.551   4.033
  559    HA   SER 100           HA       SER 100   4.853   3.044   4.816
  560    HG   SER 100           HG       SER 100   7.175   2.610   2.722
  561    HB2  SER 100           2HB      SER 100   4.288   2.676   2.545
  562    HB3  SER 100           3HB      SER 100   5.436   3.814   2.041
  563    H    LYS 101           H        LYS 101   5.995   3.560   6.514
  564    HA   LYS 101           HA       LYS 101   8.617   4.798   6.509
  565    HB2  LYS 101           2HB      LYS 101   8.746   3.997   8.774
  566    HB3  LYS 101           3HB      LYS 101   7.131   4.598   8.495
  567    HG2  LYS 101           2HG      LYS 101   6.276   2.665   9.237
  568    HG3  LYS 101           3HG      LYS 101   6.981   1.822   7.863
  569    HD2  LYS 101           2HD      LYS 101   9.128   1.573   9.207
  570    HD3  LYS 101           3HD      LYS 101   8.301   2.330  10.572
  571    HE2  LYS 101           2HE      LYS 101   8.330  -0.068  10.842
  572    HE3  LYS 101           3HE      LYS 101   6.661   0.473  10.623
  573    HZ1  LYS 101           3HZ      LYS 101   6.561  -0.482   8.560
  574    HZ2  LYS 101           1HZ      LYS 101   8.201  -0.419   8.283
  575    HZ3  LYS 101           2HZ      LYS 101   7.610  -1.546   9.291
  576    H    LEU 102           H        LEU 102  10.363   3.111   7.638
  577    HA   LEU 102           HA       LEU 102  11.600   1.770   5.576
  578    HG   LEU 102           HG       LEU 102  12.369   3.498   8.107
  579    HB2  LEU 102           2HB      LEU 102  11.752   1.127   8.543
  580    HB3  LEU 102           3HB      LEU 102  12.924   0.599   7.343
  581   HD11  LEU 102          1HD1      LEU 102  14.602   3.397   9.117
  582   HD12  LEU 102          2HD1      LEU 102  13.526   2.196   9.849
  583   HD13  LEU 102          3HD1      LEU 102  14.749   1.682   8.672
  584   HD21  LEU 102          3HD2      LEU 102  14.426   3.980   6.780
  585   HD22  LEU 102          1HD2      LEU 102  14.429   2.297   6.203
  586   HD23  LEU 102          2HD2      LEU 102  13.100   3.400   5.771
  587    HA   PRO 103           HA       PRO 103   9.667  -2.142   4.747
  588    HB2  PRO 103           2HB      PRO 103  12.476  -3.242   4.684
  589    HB3  PRO 103           3HB      PRO 103  11.137  -3.493   3.513
  590    HG2  PRO 103           2HG      PRO 103  13.099  -1.716   2.968
  591    HG3  PRO 103           3HG      PRO 103  11.387  -1.289   2.638
  592    HD2  PRO 103           2HD      PRO 103  13.113  -0.477   4.987
  593    HD3  PRO 103           3HD      PRO 103  11.976   0.497   4.007
  594    H    ALA 104           H        ALA 104  11.551  -1.840   7.613
  595    HA   ALA 104           HA       ALA 104  10.669  -4.468   8.711
  596    HB1  ALA 104           1HB      ALA 104  13.018  -3.906   9.050
  597    HB2  ALA 104           2HB      ALA 104  12.578  -2.355   9.799
  598    HB3  ALA 104           3HB      ALA 104  12.158  -3.882  10.604
  Start of MODEL    3
    1    H    GLU  28           H        GLU  28   3.618  15.780  11.199
    2    HA   GLU  28           HA       GLU  28   3.871  14.229   9.410
    3    HB2  GLU  28           2HB      GLU  28   6.645  15.118  10.301
    4    HB3  GLU  28           3HB      GLU  28   6.114  14.723   8.676
    5    HG2  GLU  28           2HG      GLU  28   5.486  17.178  10.320
    6    HG3  GLU  28           3HG      GLU  28   6.246  17.071   8.736
    7    H    LEU  29           H        LEU  29   4.677  12.386   8.531
    8    HA   LEU  29           HA       LEU  29   6.448  10.548  10.056
    9    HG   LEU  29           HG       LEU  29   3.818   7.700  10.077
   10    HB2  LEU  29           2HB      LEU  29   3.948  10.185  10.670
   11    HB3  LEU  29           3HB      LEU  29   3.689   9.719   9.027
   12   HD11  LEU  29          1HD1      LEU  29   5.821   6.498   9.567
   13   HD12  LEU  29          2HD1      LEU  29   5.558   7.665   8.270
   14   HD13  LEU  29          3HD1      LEU  29   6.792   7.981   9.520
   15   HD21  LEU  29          3HD2      LEU  29   5.334   7.100  11.886
   16   HD22  LEU  29          1HD2      LEU  29   6.092   8.714  11.808
   17   HD23  LEU  29          2HD2      LEU  29   4.380   8.537  12.276
   18    H    SER  30           H        SER  30   4.308  10.824   7.324
   19    HA   SER  30           HA       SER  30   6.072  10.929   5.180
   20    HG   SER  30           HG       SER  30   7.284   8.887   6.202
   21    HB2  SER  30           2HB      SER  30   5.057   8.104   5.755
   22    HB3  SER  30           3HB      SER  30   5.396   8.645   4.108
   23    H    ASN  31           H        ASN  31   2.990  10.038   6.519
   24    HA   ASN  31           HA       ASN  31   0.908  10.704   6.236
   25    HB2  ASN  31           2HB      ASN  31   1.743  12.875   4.384
   26    HB3  ASN  31           3HB      ASN  31   0.482  12.883   5.585
   27   HD21  ASN  31          2HD2      ASN  31   2.264  14.954   5.256
   28   HD22  ASN  31          1HD2      ASN  31   3.294  15.084   6.663
   29    H    THR  32           H        THR  32   2.334   9.229   3.670
   30    HA   THR  32           HA       THR  32  -0.053   9.359   1.865
   31    HB   THR  32           HB       THR  32   1.487   9.847  -0.004
   32    HG1  THR  32           1HG      THR  32   3.403  10.504   1.966
   33   HG21  THR  32          1HG2      THR  32   1.762  12.017   2.082
   34   HG22  THR  32          2HG2      THR  32   1.870  12.165   0.322
   35   HG23  THR  32          3HG2      THR  32   0.321  11.743   1.076
   36    H    ARG  33           H        ARG  33   1.096   6.838   3.408
   37    HA   ARG  33           HA       ARG  33   2.079   5.379   0.970
   38    HE   ARG  33           HE       ARG  33   6.623   6.594   0.027
   39    HB2  ARG  33           2HB      ARG  33   3.684   5.973   3.448
   40    HB3  ARG  33           3HB      ARG  33   3.895   4.455   2.627
   41    HG2  ARG  33           2HG      ARG  33   4.582   5.213   0.679
   42    HG3  ARG  33           3HG      ARG  33   4.157   6.933   1.060
   43    HD2  ARG  33           2HD      ARG  33   5.926   7.018   2.710
   44    HD3  ARG  33           3HD      ARG  33   6.180   5.261   2.554
   45   HH11  ARG  33          2HH2      ARG  33   8.228   5.884   3.055
   46   HH12  ARG  33          1HH2      ARG  33   9.783   5.653   2.240
   47   HH21  ARG  33          2HH1      ARG  33   8.488   6.335  -0.864
   48   HH22  ARG  33          1HH1      ARG  33   9.911   5.785   0.068
   49    H    LEU  34           H        LEU  34   1.595   3.373   0.755
   50    HA   LEU  34           HA       LEU  34  -0.046   2.196   2.950
   51    HG   LEU  34           HG       LEU  34  -2.404   3.147   0.215
   52    HB2  LEU  34           2HB      LEU  34  -0.343   1.593   0.068
   53    HB3  LEU  34           3HB      LEU  34  -1.498   1.356   1.335
   54   HD11  LEU  34          1HD1      LEU  34  -1.879   3.783   2.698
   55   HD12  LEU  34          2HD1      LEU  34  -0.908   5.060   1.955
   56   HD13  LEU  34          3HD1      LEU  34  -2.610   4.912   1.590
   57   HD21  LEU  34          3HD2      LEU  34   0.275   3.669  -0.706
   58   HD22  LEU  34          1HD2      LEU  34  -1.258   4.070  -1.431
   59   HD23  LEU  34          2HD2      LEU  34  -0.518   5.182  -0.271
   60    H    PHE  35           H        PHE  35   0.497   0.336   3.952
   61    HA   PHE  35           HA       PHE  35   2.806  -1.159   2.868
   62    HD1  PHE  35           HD1      PHE  35   4.082  -2.940   3.752
   63    HD2  PHE  35           HD2      PHE  35   3.130  -1.250   7.608
   64    HE1  PHE  35           HE1      PHE  35   5.376  -4.730   4.853
   65    HE2  PHE  35           HE2      PHE  35   4.447  -3.038   8.705
   66    HZ   PHE  35           HZ       PHE  35   5.574  -4.787   7.334
   67    HB2  PHE  35           2HB      PHE  35   3.561  -0.108   4.691
   68    HB3  PHE  35           3HB      PHE  35   2.248  -0.181   5.673
   69    H    VAL  36           H        VAL  36   2.069  -2.616   1.786
   70    HA   VAL  36           HA       VAL  36  -0.407  -4.138   2.490
   71    HB   VAL  36           HB       VAL  36   0.663  -2.616   0.109
   72   HG11  VAL  36          1HG1      VAL  36  -1.648  -4.439  -0.070
   73   HG12  VAL  36          2HG1      VAL  36  -1.347  -3.015  -1.109
   74   HG13  VAL  36          3HG1      VAL  36  -0.162  -4.275  -1.109
   75   HG21  VAL  36          3HG2      VAL  36  -1.565  -1.440   0.366
   76   HG22  VAL  36          1HG2      VAL  36  -2.055  -2.641   1.575
   77   HG23  VAL  36          2HG2      VAL  36  -0.775  -1.452   1.919
   78    H    ARG  37           H        ARG  37   0.465  -5.877   3.251
   79    HA   ARG  37           HA       ARG  37   2.583  -7.389   1.771
   80    HE   ARG  37           HE       ARG  37   1.116  -8.083   7.554
   81    HB2  ARG  37           2HB      ARG  37   3.639  -7.728   3.990
   82    HB3  ARG  37           3HB      ARG  37   3.510  -6.038   3.539
   83    HG2  ARG  37           2HG      ARG  37   2.198  -5.521   5.307
   84    HG3  ARG  37           3HG      ARG  37   1.121  -6.878   5.017
   85    HD2  ARG  37           2HD      ARG  37   2.870  -8.377   6.105
   86    HD3  ARG  37           3HD      ARG  37   3.661  -6.898   6.670
   87   HH11  ARG  37          2HH1      ARG  37   2.962  -5.053   7.649
   88   HH12  ARG  37          1HH1      ARG  37   1.879  -4.418   8.889
   89   HH21  ARG  37          1HH2      ARG  37  -0.205  -7.004   9.078
   90   HH22  ARG  37          2HH2      ARG  37   0.277  -5.385   9.592
   91    HA   PRO  38           HA       PRO  38  -0.251 -10.733   3.930
   92    HB2  PRO  38           2HB      PRO  38  -2.202 -10.358   1.643
   93    HB3  PRO  38           3HB      PRO  38  -2.499 -10.997   3.269
   94    HG2  PRO  38           2HG      PRO  38  -3.176  -8.486   2.587
   95    HG3  PRO  38           3HG      PRO  38  -2.452  -8.773   4.187
   96    HD2  PRO  38           2HD      PRO  38  -1.142  -7.693   1.704
   97    HD3  PRO  38           3HD      PRO  38  -0.941  -7.219   3.423
   98    H    PHE  39           H        PHE  39  -0.014  -9.899   0.540
   99    HA   PHE  39           HA       PHE  39  -0.311 -12.459  -0.558
  100    HD1  PHE  39           HD2      PHE  39   1.224  -8.339  -0.962
  101    HD2  PHE  39           HD1      PHE  39  -2.528 -10.301  -1.905
  102    HE1  PHE  39           HE2      PHE  39   0.046  -6.245  -0.755
  103    HE2  PHE  39           HE1      PHE  39  -3.687  -8.119  -1.726
  104    HZ   PHE  39           HZ       PHE  39  -2.432  -6.088  -1.177
  105    HB2  PHE  39           2HB      PHE  39   1.185 -10.481  -2.157
  106    HB3  PHE  39           3HB      PHE  39  -0.297 -11.337  -2.538
  107    HA   PRO  40           HA       PRO  40   4.026 -13.597  -1.129
  108    HB2  PRO  40           2HB      PRO  40   3.848 -15.492  -3.135
  109    HB3  PRO  40           3HB      PRO  40   3.160 -15.789  -1.516
  110    HG2  PRO  40           2HG      PRO  40   1.717 -14.756  -3.973
  111    HG3  PRO  40           3HG      PRO  40   1.237 -16.116  -2.916
  112    HD2  PRO  40           2HD      PRO  40   0.244 -13.572  -2.650
  113    HD3  PRO  40           3HD      PRO  40   0.495 -14.648  -1.242
  114    H    LEU  41           H        LEU  41   5.424 -14.026  -3.430
  115    HA   LEU  41           HA       LEU  41   5.950 -11.494  -4.541
  116    HG   LEU  41           HG       LEU  41   8.328 -12.100  -4.425
  117    HB2  LEU  41           2HB      LEU  41   6.544 -14.326  -5.505
  118    HB3  LEU  41           3HB      LEU  41   7.061 -12.905  -6.393
  119   HD11  LEU  41          1HD1      LEU  41   8.981 -13.788  -2.689
  120   HD12  LEU  41          2HD1      LEU  41   7.287 -13.329  -2.568
  121   HD13  LEU  41          3HD1      LEU  41   7.730 -14.882  -3.316
  122   HD21  LEU  41          3HD2      LEU  41   9.085 -14.860  -5.467
  123   HD22  LEU  41          1HD2      LEU  41   9.408 -13.310  -6.280
  124   HD23  LEU  41          2HD2      LEU  41  10.193 -13.676  -4.734
  125    H    ASP  42           H        ASP  42   3.409 -13.651  -5.430
  126    HA   ASP  42           HA       ASP  42   2.933 -12.978  -8.117
  127    HB2  ASP  42           2HB      ASP  42   0.999 -13.846  -5.950
  128    HB3  ASP  42           3HB      ASP  42   0.660 -13.852  -7.675
  129    H    VAL  43           H        VAL  43   2.247 -10.943  -5.294
  130    HA   VAL  43           HA       VAL  43   0.253  -9.291  -6.638
  131    HB   VAL  43           HB       VAL  43   0.473  -9.301  -4.208
  132   HG11  VAL  43          1HG1      VAL  43   2.968  -9.300  -3.990
  133   HG12  VAL  43          2HG1      VAL  43   2.984  -7.606  -4.523
  134   HG13  VAL  43          3HG1      VAL  43   2.176  -8.062  -3.019
  135   HG21  VAL  43          3HG2      VAL  43   0.860  -6.536  -5.438
  136   HG22  VAL  43          1HG2      VAL  43  -0.664  -7.437  -5.310
  137   HG23  VAL  43          2HG2      VAL  43   0.160  -6.895  -3.856
  138    H    GLN  44           H        GLN  44   0.495  -7.509  -7.909
  139    HA   GLN  44           HA       GLN  44   3.168  -6.390  -8.461
  140    HB2  GLN  44           2HB      GLN  44   1.425  -6.879 -10.852
  141    HB3  GLN  44           3HB      GLN  44   3.141  -6.574 -10.771
  142    HG2  GLN  44           2HG      GLN  44   1.726  -9.190 -10.175
  143    HG3  GLN  44           3HG      GLN  44   2.630  -8.795 -11.623
  144   HE21  GLN  44          2HE2      GLN  44   2.879 -10.767  -9.245
  145   HE22  GLN  44          1HE2      GLN  44   4.544 -10.617  -8.732
  146    H    GLU  45           H        GLU  45   2.730  -4.422 -10.130
  147    HA   GLU  45           HA       GLU  45   0.947  -2.619  -8.842
  148    HB2  GLU  45           2HB      GLU  45   1.496  -1.053 -10.477
  149    HB3  GLU  45           3HB      GLU  45   2.959  -1.972 -10.177
  150    HG2  GLU  45           2HG      GLU  45   1.054  -2.364 -12.517
  151    HG3  GLU  45           3HG      GLU  45   2.538  -1.417 -12.572
  152    H    SER  46           H        SER  46   0.183  -5.007 -11.328
  153    HA   SER  46           HA       SER  46  -2.330  -3.867 -12.147
  154    HG   SER  46           HG       SER  46  -0.835  -7.262 -11.611
  155    HB2  SER  46           2HB      SER  46  -2.727  -6.465 -12.622
  156    HB3  SER  46           3HB      SER  46  -1.712  -5.441 -13.635
  157    H    GLU  47           H        GLU  47  -1.385  -5.723  -9.254
  158    HA   GLU  47           HA       GLU  47  -4.124  -6.599  -8.604
  159    HB2  GLU  47           2HB      GLU  47  -1.276  -6.991  -7.570
  160    HB3  GLU  47           3HB      GLU  47  -2.657  -7.407  -6.612
  161    HG2  GLU  47           2HG      GLU  47  -1.805  -9.364  -7.788
  162    HG3  GLU  47           3HG      GLU  47  -3.463  -8.985  -8.254
  163    H    LEU  48           H        LEU  48  -1.480  -4.399  -7.656
  164    HA   LEU  48           HA       LEU  48  -2.945  -3.050  -5.572
  165    HG   LEU  48           HG       LEU  48   0.078  -4.019  -6.092
  166    HB2  LEU  48           2HB      LEU  48  -0.781  -2.023  -7.432
  167    HB3  LEU  48           3HB      LEU  48  -1.305  -1.311  -5.985
  168   HD11  LEU  48          1HD1      LEU  48   1.450  -2.115  -6.856
  169   HD12  LEU  48          2HD1      LEU  48   1.049  -1.214  -5.411
  170   HD13  LEU  48          3HD1      LEU  48   2.012  -2.704  -5.267
  171   HD21  LEU  48          3HD2      LEU  48   0.489  -3.729  -3.754
  172   HD22  LEU  48          1HD2      LEU  48  -0.364  -2.155  -3.756
  173   HD23  LEU  48          2HD2      LEU  48  -1.258  -3.696  -4.026
  174    H    ASN  49           H        ASN  49  -2.710  -2.646  -9.179
  175    HA   ASN  49           HA       ASN  49  -4.455  -0.351  -9.253
  176    HB2  ASN  49           2HB      ASN  49  -3.564  -2.336 -11.285
  177    HB3  ASN  49           3HB      ASN  49  -5.106  -1.574 -11.605
  178   HD21  ASN  49          2HD2      ASN  49  -1.683  -0.884 -11.008
  179   HD22  ASN  49          1HD2      ASN  49  -1.714   0.678 -11.830
  180    H    GLU  50           H        GLU  50  -5.374  -3.864  -9.214
  181    HA   GLU  50           HA       GLU  50  -8.127  -3.498  -9.318
  182    HB2  GLU  50           2HB      GLU  50  -6.383  -5.598  -9.166
  183    HB3  GLU  50           3HB      GLU  50  -6.971  -5.588  -7.495
  184    HG2  GLU  50           2HG      GLU  50  -9.297  -5.419  -8.477
  185    HG3  GLU  50           3HG      GLU  50  -8.583  -5.750 -10.060
  186    H    ILE  51           H        ILE  51  -6.000  -3.398  -6.433
  187    HA   ILE  51           HA       ILE  51  -8.207  -2.977  -4.551
  188    HB   ILE  51           HB       ILE  51  -5.217  -2.959  -4.450
  189   HG12  ILE  51          2HG1      ILE  51  -7.161  -4.889  -3.128
  190   HG13  ILE  51          3HG1      ILE  51  -6.471  -5.136  -4.727
  191   HG21  ILE  51          1HG2      ILE  51  -7.085  -2.504  -2.076
  192   HG22  ILE  51          2HG2      ILE  51  -5.352  -2.870  -1.909
  193   HG23  ILE  51          3HG2      ILE  51  -5.859  -1.368  -2.658
  194   HD11  ILE  51          3HD1      ILE  51  -4.164  -5.055  -3.714
  195   HD12  ILE  51          1HD1      ILE  51  -4.933  -5.069  -2.106
  196   HD13  ILE  51          2HD1      ILE  51  -5.164  -6.428  -3.215
  197    H    PHE  52           H        PHE  52  -5.648  -0.874  -5.840
  198    HA   PHE  52           HA       PHE  52  -6.261   1.397  -4.151
  199    HD1  PHE  52           HD2      PHE  52  -3.920  -1.254  -4.585
  200    HD2  PHE  52           HD1      PHE  52  -3.514   2.780  -3.159
  201    HE1  PHE  52           HE2      PHE  52  -2.471  -2.073  -2.802
  202    HE2  PHE  52           HE1      PHE  52  -1.910   1.962  -1.484
  203    HZ   PHE  52           HZ       PHE  52  -1.279  -0.428  -1.380
  204    HB2  PHE  52           2HB      PHE  52  -4.167   0.880  -6.160
  205    HB3  PHE  52           3HB      PHE  52  -4.360   2.408  -5.329
  206    H    GLY  53           H        GLY  53  -6.676   0.442  -7.541
  207    HA2  GLY  53           2HA      GLY  53  -7.034   2.770  -8.977
  208    HA3  GLY  53           3HA      GLY  53  -7.954   1.287  -9.225
  209    HA   PRO  54           HA       PRO  54 -11.668   3.136  -7.445
  210    HB2  PRO  54           2HB      PRO  54 -11.297   2.299  -4.587
  211    HB3  PRO  54           3HB      PRO  54 -12.722   2.086  -5.651
  212    HG2  PRO  54           2HG      PRO  54 -11.108  -0.016  -5.107
  213    HG3  PRO  54           3HG      PRO  54 -11.661   0.251  -6.799
  214    HD2  PRO  54           2HD      PRO  54  -9.094   1.197  -5.502
  215    HD3  PRO  54           3HD      PRO  54  -9.224   0.188  -6.962
  216    H    PHE  55           H        PHE  55  -8.748   3.854  -5.540
  217    HA   PHE  55           HA       PHE  55  -9.868   6.118  -4.105
  218    HD1  PHE  55           HD1      PHE  55  -9.768   4.047  -3.003
  219    HD2  PHE  55           HD2      PHE  55  -5.473   4.330  -3.249
  220    HE1  PHE  55           HE1      PHE  55  -9.575   1.850  -1.908
  221    HE2  PHE  55           HE2      PHE  55  -5.311   2.279  -1.777
  222    HZ   PHE  55           HZ       PHE  55  -7.369   1.006  -1.245
  223    HB2  PHE  55           2HB      PHE  55  -6.904   5.658  -4.623
  224    HB3  PHE  55           3HB      PHE  55  -7.660   6.487  -3.299
  225    H    GLY  56           H        GLY  56  -8.020   5.619  -7.027
  226    HA2  GLY  56           2HA      GLY  56  -8.136   7.155  -8.872
  227    HA3  GLY  56           3HA      GLY  56  -8.147   8.500  -7.715
  228    HA   PRO  57           HA       PRO  57  -3.660   8.631  -7.909
  229    HB2  PRO  57           2HB      PRO  57  -3.635   8.850  -4.913
  230    HB3  PRO  57           3HB      PRO  57  -2.839   9.891  -6.129
  231    HG2  PRO  57           2HG      PRO  57  -5.096  10.735  -4.891
  232    HG3  PRO  57           3HG      PRO  57  -4.888  10.995  -6.645
  233    HD2  PRO  57           2HD      PRO  57  -6.423   8.779  -5.259
  234    HD3  PRO  57           3HD      PRO  57  -6.945   9.845  -6.603
  235    H    MET  58           H        MET  58  -1.830   7.515  -7.443
  236    HA   MET  58           HA       MET  58  -1.059   5.537  -5.664
  237    HB2  MET  58           2HB      MET  58  -1.099   3.531  -7.025
  238    HB3  MET  58           3HB      MET  58  -2.626   3.947  -6.248
  239    HG2  MET  58           2HG      MET  58  -3.441   4.890  -8.417
  240    HG3  MET  58           3HG      MET  58  -1.963   4.298  -9.186
  241    HE1  MET  58           3HE      MET  58  -1.320   1.533  -8.338
  242    HE2  MET  58           1HE      MET  58  -2.275   1.604  -6.826
  243    HE3  MET  58           2HE      MET  58  -2.633   0.371  -8.052
  244    H    LYS  59           H        LYS  59   0.198   7.311  -6.080
  245    HA   LYS  59           HA       LYS  59   1.494   7.923  -8.552
  246    HB2  LYS  59           2HB      LYS  59   0.919   9.702  -7.289
  247    HB3  LYS  59           3HB      LYS  59   1.330   8.922  -5.785
  248    HG2  LYS  59           2HG      LYS  59   3.462   9.949  -7.659
  249    HG3  LYS  59           3HG      LYS  59   2.654  10.878  -6.404
  250    HD2  LYS  59           2HD      LYS  59   3.398   8.514  -5.053
  251    HD3  LYS  59           3HD      LYS  59   4.755   8.843  -6.112
  252    HE2  LYS  59           2HE      LYS  59   3.752  11.266  -4.840
  253    HE3  LYS  59           3HE      LYS  59   4.051   9.993  -3.639
  254    HZ1  LYS  59           3HZ      LYS  59   6.296   9.817  -4.331
  255    HZ2  LYS  59           1HZ      LYS  59   6.111  10.870  -5.596
  256    HZ3  LYS  59           2HZ      LYS  59   6.032  11.401  -4.048
  257    H    GLU  60           H        GLU  60   2.487   5.944  -5.798
  258    HA   GLU  60           HA       GLU  60   4.587   4.879  -7.497
  259    HB2  GLU  60           2HB      GLU  60   5.339   6.771  -5.422
  260    HB3  GLU  60           3HB      GLU  60   5.981   5.184  -5.032
  261    HG2  GLU  60           2HG      GLU  60   6.334   6.420  -7.789
  262    HG3  GLU  60           3HG      GLU  60   7.350   6.854  -6.435
  263    H    VAL  61           H        VAL  61   5.650   3.124  -6.745
  264    HA   VAL  61           HA       VAL  61   4.049   1.212  -5.111
  265    HB   VAL  61           HB       VAL  61   4.361   1.240  -8.168
  266   HG11  VAL  61          1HG1      VAL  61   3.188  -0.999  -8.077
  267   HG12  VAL  61          2HG1      VAL  61   4.871  -0.987  -7.575
  268   HG13  VAL  61          3HG1      VAL  61   3.580  -1.006  -6.334
  269   HG21  VAL  61          3HG2      VAL  61   2.019   1.000  -8.405
  270   HG22  VAL  61          1HG2      VAL  61   1.777   0.753  -6.684
  271   HG23  VAL  61          2HG2      VAL  61   2.247   2.354  -7.316
  272    H    LYS  62           H        LYS  62   5.596   0.354  -3.975
  273    HA   LYS  62           HA       LYS  62   8.204  -0.440  -5.246
  274    HB2  LYS  62           2HB      LYS  62   7.520   0.230  -2.364
  275    HB3  LYS  62           3HB      LYS  62   9.124  -0.045  -2.992
  276    HG2  LYS  62           2HG      LYS  62   7.507   2.257  -4.165
  277    HG3  LYS  62           3HG      LYS  62   8.025   2.388  -2.522
  278    HD2  LYS  62           2HD      LYS  62   9.611   3.446  -4.097
  279    HD3  LYS  62           3HD      LYS  62  10.369   2.151  -3.181
  280    HE2  LYS  62           2HE      LYS  62  11.163   2.032  -5.430
  281    HE3  LYS  62           3HE      LYS  62  10.146   0.623  -5.147
  282    HZ1  LYS  62           3HZ      LYS  62   9.739   1.748  -7.309
  283    HZ2  LYS  62           1HZ      LYS  62   8.375   1.716  -6.427
  284    HZ3  LYS  62           2HZ      LYS  62   9.234   3.099  -6.542
  285    H    ILE  63           H        ILE  63   8.174  -2.591  -5.607
  286    HA   ILE  63           HA       ILE  63   6.511  -4.307  -3.810
  287    HB   ILE  63           HB       ILE  63   6.683  -4.592  -6.815
  288   HG12  ILE  63          2HG1      ILE  63   4.471  -3.625  -4.935
  289   HG13  ILE  63          3HG1      ILE  63   5.326  -2.682  -6.151
  290   HG21  ILE  63          1HG2      ILE  63   6.476  -6.787  -5.630
  291   HG22  ILE  63          2HG2      ILE  63   5.082  -6.156  -4.725
  292   HG23  ILE  63          3HG2      ILE  63   5.002  -6.379  -6.485
  293   HD11  ILE  63          3HD1      ILE  63   3.221  -4.806  -6.587
  294   HD12  ILE  63          1HD1      ILE  63   3.249  -3.147  -7.143
  295   HD13  ILE  63          2HD1      ILE  63   4.333  -4.302  -7.904
  296    H    LEU  64           H        LEU  64   7.389  -5.846  -2.918
  297    HA   LEU  64           HA       LEU  64  10.087  -6.941  -3.587
  298    HG   LEU  64           HG       LEU  64  11.308  -4.913  -2.171
  299    HB2  LEU  64           2HB      LEU  64   8.861  -6.158  -0.912
  300    HB3  LEU  64           3HB      LEU  64  10.418  -6.927  -1.116
  301   HD11  LEU  64          1HD1      LEU  64   9.959  -2.720  -1.615
  302   HD12  LEU  64          2HD1      LEU  64   9.798  -3.543  -3.152
  303   HD13  LEU  64          3HD1      LEU  64   8.561  -3.782  -1.900
  304   HD21  LEU  64          3HD2      LEU  64  11.730  -5.270   0.075
  305   HD22  LEU  64          1HD2      LEU  64  11.301  -3.559  -0.084
  306   HD23  LEU  64          2HD2      LEU  64  10.121  -4.732   0.557
  307    H    ASN  65           H        ASN  65  10.324  -8.809  -1.871
  308    HA   ASN  65           HA       ASN  65   9.220 -11.126  -2.745
  309    HB2  ASN  65           2HB      ASN  65  10.317 -10.538  -0.024
  310    HB3  ASN  65           3HB      ASN  65  10.394 -12.115  -0.815
  311   HD21  ASN  65          1HD2      ASN  65  12.380  -9.604  -0.072
  312   HD22  ASN  65          2HD2      ASN  65  13.489  -9.741  -1.422
  313    H    GLY  66           H        GLY  66   6.792  -9.822  -2.156
  314    HA2  GLY  66           2HA      GLY  66   4.797 -10.949  -1.355
  315    HA3  GLY  66           3HA      GLY  66   5.572 -11.249   0.187
  316    H    PHE  67           H        PHE  67   6.368  -8.169  -1.197
  317    HA   PHE  67           HA       PHE  67   4.395  -6.816   0.620
  318    HD1  PHE  67           HD1      PHE  67   8.283  -8.312   0.527
  319    HD2  PHE  67           HD2      PHE  67   5.773  -6.808   3.681
  320    HE1  PHE  67           HE1      PHE  67   9.061 -10.141   2.018
  321    HE2  PHE  67           HE2      PHE  67   6.555  -8.631   5.180
  322    HZ   PHE  67           HZ       PHE  67   8.192 -10.307   4.344
  323    HB2  PHE  67           2HB      PHE  67   7.274  -5.965   0.502
  324    HB3  PHE  67           3HB      PHE  67   6.048  -5.536   1.658
  325    H    ALA  68           H        ALA  68   3.723  -4.841   0.078
  326    HA   ALA  68           HA       ALA  68   4.787  -3.365  -2.296
  327    HB1  ALA  68           1HB      ALA  68   2.768  -4.534  -2.954
  328    HB2  ALA  68           2HB      ALA  68   1.909  -3.817  -1.574
  329    HB3  ALA  68           3HB      ALA  68   2.536  -2.773  -2.864
  330    H    PHE  69           H        PHE  69   5.307  -1.404  -1.832
  331    HA   PHE  69           HA       PHE  69   3.949  -0.012   0.378
  332    HD1  PHE  69           HD2      PHE  69   7.397  -1.627  -0.805
  333    HD2  PHE  69           HD1      PHE  69   6.340  -0.092   3.053
  334    HE1  PHE  69           HE2      PHE  69   8.379  -3.622   0.231
  335    HE2  PHE  69           HE1      PHE  69   7.511  -2.047   4.128
  336    HZ   PHE  69           HZ       PHE  69   8.583  -3.819   2.626
  337    HB2  PHE  69           2HB      PHE  69   6.758   0.802  -0.367
  338    HB3  PHE  69           3HB      PHE  69   5.851   1.180   1.075
  339    H    VAL  70           H        VAL  70   2.464   0.885  -0.713
  340    HA   VAL  70           HA       VAL  70   3.039   2.206  -3.307
  341    HB   VAL  70           HB       VAL  70   0.308   1.895  -2.022
  342   HG11  VAL  70          1HG1      VAL  70  -0.496   1.650  -4.310
  343   HG12  VAL  70          2HG1      VAL  70   0.392   3.207  -4.206
  344   HG13  VAL  70          3HG1      VAL  70   1.149   1.736  -4.925
  345   HG21  VAL  70          3HG2      VAL  70   1.218  -0.352  -2.150
  346   HG22  VAL  70          1HG2      VAL  70   0.100  -0.112  -3.499
  347   HG23  VAL  70          2HG2      VAL  70   1.873   0.040  -3.812
  348    H    GLU  71           H        GLU  71   2.203   4.416  -3.660
  349    HA   GLU  71           HA       GLU  71   2.505   6.137  -1.207
  350    HB2  GLU  71           2HB      GLU  71   4.714   5.390  -2.315
  351    HB3  GLU  71           3HB      GLU  71   4.168   6.261  -3.726
  352    HG2  GLU  71           2HG      GLU  71   4.208   8.371  -2.504
  353    HG3  GLU  71           3HG      GLU  71   4.614   7.525  -1.009
  354    H    PHE  72           H        PHE  72   1.729   8.158  -1.447
  355    HA   PHE  72           HA       PHE  72   0.461   8.919  -4.038
  356    HD1  PHE  72           HD2      PHE  72  -1.373   7.466  -4.337
  357    HD2  PHE  72           HD1      PHE  72  -1.831   8.080  -0.104
  358    HE1  PHE  72           HE2      PHE  72  -2.755   5.402  -4.167
  359    HE2  PHE  72           HE1      PHE  72  -3.354   6.121  -0.001
  360    HZ   PHE  72           HZ       PHE  72  -3.778   4.771  -2.004
  361    HB2  PHE  72           2HB      PHE  72  -0.506   9.547  -1.250
  362    HB3  PHE  72           3HB      PHE  72  -1.313   9.936  -2.754
  363    H    GLU  73           H        GLU  73   0.080  11.118  -4.471
  364    HA   GLU  73           HA       GLU  73   2.011  13.072  -3.306
  365    HB2  GLU  73           2HB      GLU  73   1.522  14.438  -5.275
  366    HB3  GLU  73           3HB      GLU  73   2.148  12.862  -5.698
  367    HG2  GLU  73           2HG      GLU  73  -0.276  12.111  -6.103
  368    HG3  GLU  73           3HG      GLU  73  -0.744  13.792  -5.871
  369    H    GLU  74           H        GLU  74  -0.760  11.953  -2.376
  370    HA   GLU  74           HA       GLU  74  -2.133  14.491  -1.645
  371    HB2  GLU  74           2HB      GLU  74  -3.067  13.559  -3.786
  372    HB3  GLU  74           3HB      GLU  74  -3.410  12.042  -2.958
  373    HG2  GLU  74           2HG      GLU  74  -4.882  13.359  -1.359
  374    HG3  GLU  74           3HG      GLU  74  -4.630  14.772  -2.375
  375    H    ALA  75           H        ALA  75  -1.941  14.364   0.577
  376    HA   ALA  75           HA       ALA  75  -1.924  11.965   2.119
  377    HB1  ALA  75           1HB      ALA  75  -2.296  13.466   4.026
  378    HB2  ALA  75           2HB      ALA  75  -1.085  14.144   2.928
  379    HB3  ALA  75           3HB      ALA  75  -2.748  14.786   2.925
  380    H    GLU  76           H        GLU  76  -4.635  13.812   0.823
  381    HA   GLU  76           HA       GLU  76  -6.683  12.453   2.351
  382    HB2  GLU  76           2HB      GLU  76  -7.004  13.778  -0.351
  383    HB3  GLU  76           3HB      GLU  76  -8.256  13.423   0.825
  384    HG2  GLU  76           2HG      GLU  76  -6.025  15.474   1.010
  385    HG3  GLU  76           3HG      GLU  76  -7.755  15.780   0.918
  386    H    SER  77           H        SER  77  -4.767  11.464  -0.421
  387    HA   SER  77           HA       SER  77  -6.565   9.270  -1.172
  388    HG   SER  77           HG       SER  77  -4.246   7.517  -2.509
  389    HB2  SER  77           2HB      SER  77  -4.916  10.149  -2.772
  390    HB3  SER  77           3HB      SER  77  -3.622   9.453  -1.797
  391    H    ALA  78           H        ALA  78  -3.675   9.698   0.935
  392    HA   ALA  78           HA       ALA  78  -3.689   6.968   1.863
  393    HB1  ALA  78           1HB      ALA  78  -1.774   8.260   2.173
  394    HB2  ALA  78           2HB      ALA  78  -2.639   9.521   3.092
  395    HB3  ALA  78           3HB      ALA  78  -2.408   7.889   3.782
  396    H    ALA  79           H        ALA  79  -5.347   9.892   3.195
  397    HA   ALA  79           HA       ALA  79  -6.713   8.675   5.309
  398    HB1  ALA  79           1HB      ALA  79  -8.316  10.499   5.073
  399    HB2  ALA  79           2HB      ALA  79  -6.676  11.110   4.775
  400    HB3  ALA  79           3HB      ALA  79  -7.786  10.803   3.415
  401    H    LYS  80           H        LYS  80  -7.992   8.961   1.914
  402    HA   LYS  80           HA       LYS  80 -10.206   7.250   2.613
  403    HB2  LYS  80           2HB      LYS  80 -10.902   7.320   0.367
  404    HB3  LYS  80           3HB      LYS  80 -10.228   8.918   0.744
  405    HG2  LYS  80           2HG      LYS  80  -8.133   8.220  -0.389
  406    HG3  LYS  80           3HG      LYS  80  -8.873   6.688  -0.851
  407    HD2  LYS  80           2HD      LYS  80  -9.969   7.633  -2.575
  408    HD3  LYS  80           3HD      LYS  80 -10.630   8.930  -1.602
  409    HE2  LYS  80           2HE      LYS  80  -7.782   8.956  -2.666
  410    HE3  LYS  80           3HE      LYS  80  -9.150   9.573  -3.595
  411    HZ1  LYS  80           3HZ      LYS  80  -8.434  10.593  -0.897
  412    HZ2  LYS  80           1HZ      LYS  80  -7.989  11.317  -2.312
  413    HZ3  LYS  80           2HZ      LYS  80  -9.576  11.203  -1.912
  414    H    ALA  81           H        ALA  81  -7.077   6.511   1.141
  415    HA   ALA  81           HA       ALA  81  -7.547   3.831   0.407
  416    HB1  ALA  81           1HB      ALA  81  -4.989   5.022   1.487
  417    HB2  ALA  81           2HB      ALA  81  -5.162   3.498   0.588
  418    HB3  ALA  81           3HB      ALA  81  -5.549   5.017  -0.202
  419    H    ILE  82           H        ILE  82  -6.478   5.249   3.569
  420    HA   ILE  82           HA       ILE  82  -6.418   2.923   5.125
  421    HB   ILE  82           HB       ILE  82  -7.182   5.733   5.933
  422   HG12  ILE  82          2HG1      ILE  82  -4.594   4.497   6.793
  423   HG13  ILE  82          3HG1      ILE  82  -4.682   4.984   5.126
  424   HG21  ILE  82          1HG2      ILE  82  -6.470   3.426   7.787
  425   HG22  ILE  82          2HG2      ILE  82  -6.696   5.112   8.269
  426   HG23  ILE  82          3HG2      ILE  82  -8.063   4.204   7.651
  427   HD11  ILE  82          3HD1      ILE  82  -5.458   7.240   5.906
  428   HD12  ILE  82          1HD1      ILE  82  -5.172   6.736   7.575
  429   HD13  ILE  82          2HD1      ILE  82  -3.810   6.828   6.421
  430    H    GLU  83           H        GLU  83  -9.168   5.236   4.816
  431    HA   GLU  83           HA       GLU  83 -10.986   3.559   6.238
  432    HB2  GLU  83           2HB      GLU  83 -11.481   5.786   4.255
  433    HB3  GLU  83           3HB      GLU  83 -12.737   5.042   5.254
  434    HG2  GLU  83           2HG      GLU  83 -10.265   6.501   6.314
  435    HG3  GLU  83           3HG      GLU  83 -11.890   7.156   6.211
  436    H    GLU  84           H        GLU  84  -9.975   3.311   2.917
  437    HA   GLU  84           HA       GLU  84 -12.269   1.739   1.960
  438    HB2  GLU  84           2HB      GLU  84  -9.553   2.495   0.815
  439    HB3  GLU  84           3HB      GLU  84 -10.615   1.369  -0.000
  440    HG2  GLU  84           2HG      GLU  84 -11.582   4.141   0.691
  441    HG3  GLU  84           3HG      GLU  84 -10.608   3.852  -0.735
  442    H    VAL  85           H        VAL  85  -8.909   1.059   2.990
  443    HA   VAL  85           HA       VAL  85  -9.487  -1.869   2.946
  444    HB   VAL  85           HB       VAL  85  -8.881  -1.288   0.725
  445   HG11  VAL  85          1HG1      VAL  85  -6.445   0.027   1.903
  446   HG12  VAL  85          2HG1      VAL  85  -6.516  -0.492   0.201
  447   HG13  VAL  85          3HG1      VAL  85  -7.667   0.699   0.830
  448   HG21  VAL  85          3HG2      VAL  85  -8.074  -3.460   1.630
  449   HG22  VAL  85          1HG2      VAL  85  -7.140  -2.836   0.268
  450   HG23  VAL  85          2HG2      VAL  85  -6.488  -2.691   1.902
  451    H    HIS  86           H        HIS  86  -7.758   0.633   4.646
  452    HA   HIS  86           HA       HIS  86  -5.810  -1.141   5.878
  453    HD1  HIS  86           HD1      HIS  86  -3.578   1.504   7.323
  454    HD2  HIS  86           HD2      HIS  86  -6.565  -0.491   9.489
  455    HE1  HIS  86           HE1      HIS  86  -2.514   0.832   9.560
  456    HB2  HIS  86           2HB      HIS  86  -5.787   1.345   6.088
  457    HB3  HIS  86           3HB      HIS  86  -7.162   1.251   7.179
  458    H    GLY  87           H        GLY  87  -6.391  -2.999   6.841
  459    HA2  GLY  87           2HA      GLY  87  -6.977  -3.928   9.017
  460    HA3  GLY  87           3HA      GLY  87  -8.358  -2.837   9.116
  461    H    LYS  88           H        LYS  88  -8.101  -3.955   5.963
  462    HA   LYS  88           HA       LYS  88 -10.385  -5.834   6.244
  463    HB2  LYS  88           2HB      LYS  88  -9.083  -4.207   4.030
  464    HB3  LYS  88           3HB      LYS  88 -10.181  -5.442   3.686
  465    HG2  LYS  88           2HG      LYS  88 -11.347  -3.347   3.637
  466    HG3  LYS  88           3HG      LYS  88 -11.987  -4.276   4.996
  467    HD2  LYS  88           2HD      LYS  88 -10.978  -2.872   6.610
  468    HD3  LYS  88           3HD      LYS  88  -9.753  -2.304   5.475
  469    HE2  LYS  88           2HE      LYS  88 -11.566  -1.174   4.167
  470    HE3  LYS  88           3HE      LYS  88 -12.679  -1.537   5.491
  471    HZ1  LYS  88           3HZ      LYS  88 -10.194   0.103   5.744
  472    HZ2  LYS  88           1HZ      LYS  88 -11.721   0.687   5.712
  473    HZ3  LYS  88           2HZ      LYS  88 -11.204  -0.242   6.967
  474    H    SER  89           H        SER  89 -10.153  -7.890   5.695
  475    HA   SER  89           HA       SER  89  -7.457  -8.993   5.737
  476    HG   SER  89           HG       SER  89 -10.572 -10.601   4.837
  477    HB2  SER  89           2HB      SER  89  -8.625 -11.177   5.948
  478    HB3  SER  89           3HB      SER  89  -9.057  -9.977   7.172
  479    H    PHE  90           H        PHE  90  -6.334  -8.725   3.763
  480    HA   PHE  90           HA       PHE  90  -7.552 -10.119   1.388
  481    HD1  PHE  90           HD2      PHE  90  -4.613 -10.511  -0.394
  482    HD2  PHE  90           HD1      PHE  90  -7.543  -7.351  -0.632
  483    HE1  PHE  90           HE2      PHE  90  -4.950 -10.998  -2.812
  484    HE2  PHE  90           HE1      PHE  90  -7.795  -7.770  -3.062
  485    HZ   PHE  90           HZ       PHE  90  -6.567  -9.651  -4.122
  486    HB2  PHE  90           2HB      PHE  90  -6.584  -7.818   1.331
  487    HB3  PHE  90           3HB      PHE  90  -5.015  -8.494   1.539
  488    H    ALA  91           H        ALA  91  -6.642 -11.943   0.541
  489    HA   ALA  91           HA       ALA  91  -5.747 -13.981   0.446
  490    HB1  ALA  91           1HB      ALA  91  -3.834 -12.678  -0.296
  491    HB2  ALA  91           2HB      ALA  91  -3.239 -12.536   1.369
  492    HB3  ALA  91           3HB      ALA  91  -3.297 -14.119   0.574
  493    H    ASN  92           H        ASN  92  -4.338 -12.785   3.515
  494    HA   ASN  92           HA       ASN  92  -5.456 -15.035   5.037
  495    HB2  ASN  92           2HB      ASN  92  -3.302 -15.867   5.804
  496    HB3  ASN  92           3HB      ASN  92  -3.340 -15.936   4.047
  497   HD21  ASN  92          1HD2      ASN  92  -1.662 -14.805   2.927
  498   HD22  ASN  92          2HD2      ASN  92  -0.547 -13.730   3.703
  499    H    GLN  93           H        GLN  93  -4.524 -11.727   4.928
  500    HA   GLN  93           HA       GLN  93  -4.914 -11.309   7.795
  501    HB2  GLN  93           2HB      GLN  93  -2.719 -10.467   8.303
  502    HB3  GLN  93           3HB      GLN  93  -2.514 -12.073   7.638
  503    HG2  GLN  93           2HG      GLN  93  -2.061 -10.960   5.403
  504    HG3  GLN  93           3HG      GLN  93  -2.050  -9.407   6.244
  505   HE21  GLN  93          1HE2      GLN  93  -0.443 -12.568   6.031
  506   HE22  GLN  93          2HE2      GLN  93   1.155 -11.953   6.385
  507    HA   PRO  94           HA       PRO  94  -6.006  -7.432   6.135
  508    HB2  PRO  94           2HB      PRO  94  -5.758  -5.628   8.221
  509    HB3  PRO  94           3HB      PRO  94  -7.010  -6.917   8.196
  510    HG2  PRO  94           2HG      PRO  94  -4.269  -7.021   9.511
  511    HG3  PRO  94           3HG      PRO  94  -5.861  -7.402  10.250
  512    HD2  PRO  94           2HD      PRO  94  -4.258  -9.328   9.257
  513    HD3  PRO  94           3HD      PRO  94  -6.029  -9.405   8.991
  514    H    LEU  95           H        LEU  95  -5.441  -5.593   5.229
  515    HA   LEU  95           HA       LEU  95  -2.661  -4.996   4.683
  516    HG   LEU  95           HG       LEU  95  -4.637  -4.064   1.696
  517    HB2  LEU  95           2HB      LEU  95  -5.302  -3.581   4.140
  518    HB3  LEU  95           3HB      LEU  95  -3.780  -3.031   3.547
  519   HD11  LEU  95          1HD1      LEU  95  -3.514  -6.167   1.259
  520   HD12  LEU  95          2HD1      LEU  95  -2.433  -5.031   2.093
  521   HD13  LEU  95          3HD1      LEU  95  -3.210  -6.345   2.997
  522   HD21  LEU  95          3HD2      LEU  95  -5.662  -6.454   3.090
  523   HD22  LEU  95          1HD2      LEU  95  -6.610  -4.948   2.911
  524   HD23  LEU  95          2HD2      LEU  95  -6.015  -5.770   1.469
  525    H    GLU  96           H        GLU  96  -1.530  -3.089   5.128
  526    HA   GLU  96           HA       GLU  96  -2.380  -1.518   7.497
  527    HB2  GLU  96           2HB      GLU  96  -0.700  -3.376   7.857
  528    HB3  GLU  96           3HB      GLU  96   0.467  -2.435   6.926
  529    HG2  GLU  96           2HG      GLU  96   0.268  -0.571   8.496
  530    HG3  GLU  96           3HG      GLU  96  -1.013  -1.405   9.385
  531    H    VAL  97           H        VAL  97  -3.171  -0.647   5.333
  532    HA   VAL  97           HA       VAL  97  -1.568   0.973   3.578
  533    HB   VAL  97           HB       VAL  97  -4.477   0.796   4.409
  534   HG11  VAL  97          1HG1      VAL  97  -5.161   1.881   2.329
  535   HG12  VAL  97          2HG1      VAL  97  -4.287   2.998   3.400
  536   HG13  VAL  97          3HG1      VAL  97  -3.500   2.281   1.968
  537   HG21  VAL  97          3HG2      VAL  97  -3.649  -0.065   1.647
  538   HG22  VAL  97          1HG2      VAL  97  -2.996  -1.030   2.958
  539   HG23  VAL  97          2HG2      VAL  97  -4.735  -0.855   2.819
  540    H    VAL  98           H        VAL  98  -0.506   2.981   4.485
  541    HA   VAL  98           HA       VAL  98  -2.122   4.569   6.344
  542    HB   VAL  98           HB       VAL  98  -1.204   2.264   7.301
  543   HG11  VAL  98          1HG1      VAL  98   0.644   2.032   8.495
  544   HG12  VAL  98          2HG1      VAL  98   1.186   2.514   6.901
  545   HG13  VAL  98          3HG1      VAL  98   1.211   3.673   8.278
  546   HG21  VAL  98          3HG2      VAL  98  -1.505   4.777   8.819
  547   HG22  VAL  98          1HG2      VAL  98  -2.725   3.583   8.251
  548   HG23  VAL  98          2HG2      VAL  98  -1.522   3.108   9.470
  549    H    TYR  99           H        TYR  99   0.657   5.087   7.609
  550    HA   TYR  99           HA       TYR  99   1.753   7.046   5.635
  551    HD1  TYR  99           HD1      TYR  99  -0.203   8.110   5.856
  552    HD2  TYR  99           HD2      TYR  99   1.160   9.173   9.810
  553    HE1  TYR  99           HE1      TYR  99  -2.075   9.662   6.056
  554    HE2  TYR  99           HE2      TYR  99  -0.743  10.768  10.007
  555    HH   TYR  99           HH       TYR  99  -3.148  11.212   7.386
  556    HB2  TYR  99           2HB      TYR  99   1.967   7.070   8.680
  557    HB3  TYR  99           3HB      TYR  99   2.703   8.211   7.576
  558    H    SER 100           H        SER 100   2.280   4.567   5.061
  559    HA   SER 100           HA       SER 100   3.976   2.971   6.450
  560    HG   SER 100           HG       SER 100   1.880   2.818   4.456
  561    HB2  SER 100           2HB      SER 100   3.911   2.790   3.498
  562    HB3  SER 100           3HB      SER 100   4.486   1.679   4.707
  563    H    LYS 101           H        LYS 101   6.253   2.411   6.407
  564    HA   LYS 101           HA       LYS 101   8.122   4.151   4.956
  565    HB2  LYS 101           2HB      LYS 101   7.658   5.384   7.053
  566    HB3  LYS 101           3HB      LYS 101   8.125   3.975   8.000
  567    HG2  LYS 101           2HG      LYS 101   9.876   5.645   8.024
  568    HG3  LYS 101           3HG      LYS 101  10.447   4.189   7.218
  569    HD2  LYS 101           2HD      LYS 101  10.055   5.319   4.995
  570    HD3  LYS 101           3HD      LYS 101   9.579   6.793   5.858
  571    HE2  LYS 101           2HE      LYS 101  11.782   7.036   6.813
  572    HE3  LYS 101           3HE      LYS 101  12.224   5.384   6.371
  573    HZ1  LYS 101           3HZ      LYS 101  11.836   7.623   4.470
  574    HZ2  LYS 101           1HZ      LYS 101  13.240   6.858   4.819
  575    HZ3  LYS 101           2HZ      LYS 101  12.056   6.072   4.002
  576    H    LEU 102           H        LEU 102  10.136   3.399   4.755
  577    HA   LEU 102           HA       LEU 102  11.123   0.860   5.747
  578    HG   LEU 102           HG       LEU 102  11.762   1.713   2.144
  579    HB2  LEU 102           2HB      LEU 102  11.264  -0.273   3.689
  580    HB3  LEU 102           3HB      LEU 102   9.625   0.276   3.783
  581   HD11  LEU 102          1HD1      LEU 102  10.802   0.565   0.196
  582   HD12  LEU 102          2HD1      LEU 102  11.479  -0.594   1.347
  583   HD13  LEU 102          3HD1      LEU 102   9.721  -0.358   1.264
  584   HD21  LEU 102          3HD2      LEU 102   9.822   3.148   2.567
  585   HD22  LEU 102          1HD2      LEU 102   9.796   2.604   0.895
  586   HD23  LEU 102          2HD2      LEU 102   8.713   1.841   2.078
  587    HA   PRO 103           HA       PRO 103  15.103   2.807   5.250
  588    HB2  PRO 103           2HB      PRO 103  15.802   1.338   2.703
  589    HB3  PRO 103           3HB      PRO 103  16.831   1.655   4.140
  590    HG2  PRO 103           2HG      PRO 103  15.656  -0.757   3.845
  591    HG3  PRO 103           3HG      PRO 103  15.610   0.056   5.445
  592    HD2  PRO 103           2HD      PRO 103  13.457  -0.071   3.336
  593    HD3  PRO 103           3HD      PRO 103  13.304  -0.285   5.106
  594    H    ALA 104           H        ALA 104  13.251   2.861   2.265
  595    HA   ALA 104           HA       ALA 104  14.077   5.673   1.745
  596    HB1  ALA 104           1HB      ALA 104  13.758   3.492  -0.353
  597    HB2  ALA 104           2HB      ALA 104  14.067   5.213  -0.666
  598    HB3  ALA 104           3HB      ALA 104  15.291   4.233   0.155
  Start of MODEL    4
    1    H    GLU  28           H        GLU  28   7.077  15.144   9.378
    2    HA   GLU  28           HA       GLU  28   6.870  14.186  11.552
    3    HB2  GLU  28           2HB      GLU  28   4.884  13.396  12.483
    4    HB3  GLU  28           3HB      GLU  28   4.674  15.088  12.106
    5    HG2  GLU  28           2HG      GLU  28   3.437  12.722  10.630
    6    HG3  GLU  28           3HG      GLU  28   2.635  13.812  11.746
    7    H    LEU  29           H        LEU  29   4.962  12.973   8.728
    8    HA   LEU  29           HA       LEU  29   6.747  10.588   8.642
    9    HG   LEU  29           HG       LEU  29   4.106   8.082   9.385
   10    HB2  LEU  29           2HB      LEU  29   4.088  10.570   9.688
   11    HB3  LEU  29           3HB      LEU  29   3.926   9.979   8.075
   12   HD11  LEU  29          1HD1      LEU  29   7.042   8.333   8.618
   13   HD12  LEU  29          2HD1      LEU  29   6.080   6.858   8.866
   14   HD13  LEU  29          3HD1      LEU  29   5.746   7.868   7.496
   15   HD21  LEU  29          3HD2      LEU  29   6.478   9.271  10.838
   16   HD22  LEU  29          1HD2      LEU  29   4.803   9.170  11.443
   17   HD23  LEU  29          2HD2      LEU  29   5.718   7.686  11.138
   18    H    SER  30           H        SER  30   5.906   9.233   6.608
   19    HA   SER  30           HA       SER  30   6.320  10.701   4.236
   20    HG   SER  30           HG       SER  30   7.073   7.121   4.640
   21    HB2  SER  30           2HB      SER  30   5.025   7.960   4.615
   22    HB3  SER  30           3HB      SER  30   5.850   8.533   3.141
   23    H    ASN  31           H        ASN  31   3.367  10.275   5.923
   24    HA   ASN  31           HA       ASN  31   1.202  10.670   5.577
   25    HB2  ASN  31           2HB      ASN  31   2.325  12.758   3.751
   26    HB3  ASN  31           3HB      ASN  31   0.630  12.655   4.164
   27   HD21  ASN  31          2HD2      ASN  31   3.861  13.149   5.627
   28   HD22  ASN  31          1HD2      ASN  31   3.207  13.948   7.033
   29    H    THR  32           H        THR  32   2.657   9.249   2.804
   30    HA   THR  32           HA       THR  32  -0.043   8.885   1.569
   31    HB   THR  32           HB       THR  32   0.760   9.511  -0.528
   32    HG1  THR  32           1HG      THR  32   2.844   9.972  -0.960
   33   HG21  THR  32          1HG2      THR  32   1.401  11.798  -0.342
   34   HG22  THR  32          2HG2      THR  32   0.305  11.460   0.997
   35   HG23  THR  32          3HG2      THR  32   2.067  11.559   1.273
   36    H    ARG  33           H        ARG  33   1.549   6.626   2.950
   37    HA   ARG  33           HA       ARG  33   2.224   5.081   0.473
   38    HE   ARG  33           HE       ARG  33   6.623   6.954  -0.562
   39    HB2  ARG  33           2HB      ARG  33   4.002   5.611   2.802
   40    HB3  ARG  33           3HB      ARG  33   4.117   4.108   1.834
   41    HG2  ARG  33           2HG      ARG  33   4.711   5.104  -0.049
   42    HG3  ARG  33           3HG      ARG  33   4.334   6.758   0.554
   43    HD2  ARG  33           2HD      ARG  33   6.234   6.726   1.998
   44    HD3  ARG  33           3HD      ARG  33   6.532   4.997   1.693
   45   HH11  ARG  33          1HH1      ARG  33   8.795   4.830   1.311
   46   HH12  ARG  33          2HH1      ARG  33   9.706   4.553  -0.166
   47   HH21  ARG  33          1HH2      ARG  33   7.938   6.650  -2.089
   48   HH22  ARG  33          2HH2      ARG  33   9.341   5.545  -1.906
   49    H    LEU  34           H        LEU  34   1.463   3.235   0.310
   50    HA   LEU  34           HA       LEU  34   0.199   2.020   2.676
   51    HG   LEU  34           HG       LEU  34  -2.480   2.807   0.216
   52    HB2  LEU  34           2HB      LEU  34  -0.355   1.322  -0.109
   53    HB3  LEU  34           3HB      LEU  34  -1.390   1.072   1.246
   54   HD11  LEU  34          1HD1      LEU  34  -0.745   4.636   1.860
   55   HD12  LEU  34          2HD1      LEU  34  -2.443   4.755   1.446
   56   HD13  LEU  34          3HD1      LEU  34  -1.918   3.514   2.567
   57   HD21  LEU  34          3HD2      LEU  34  -1.516   3.697  -1.578
   58   HD22  LEU  34          1HD2      LEU  34  -0.802   4.914  -0.511
   59   HD23  LEU  34          2HD2      LEU  34   0.102   3.473  -0.956
   60    H    PHE  35           H        PHE  35   1.140   0.477   3.688
   61    HA   PHE  35           HA       PHE  35   3.284  -1.079   2.404
   62    HD1  PHE  35           HD2      PHE  35   4.297  -3.059   3.537
   63    HD2  PHE  35           HD1      PHE  35   5.016  -0.119   6.627
   64    HE1  PHE  35           HE2      PHE  35   6.023  -4.508   4.519
   65    HE2  PHE  35           HE1      PHE  35   6.760  -1.599   7.600
   66    HZ   PHE  35           HZ       PHE  35   7.272  -3.788   6.542
   67    HB2  PHE  35           2HB      PHE  35   4.130   0.214   3.864
   68    HB3  PHE  35           3HB      PHE  35   3.098   0.232   5.109
   69    H    VAL  36           H        VAL  36   2.394  -2.532   1.517
   70    HA   VAL  36           HA       VAL  36   0.138  -4.110   2.664
   71    HB   VAL  36           HB       VAL  36   0.900  -2.764   0.079
   72   HG11  VAL  36          1HG1      VAL  36  -1.087  -3.274  -0.984
   73   HG12  VAL  36          2HG1      VAL  36   0.003  -4.641  -0.864
   74   HG13  VAL  36          3HG1      VAL  36  -1.443  -4.538   0.221
   75   HG21  VAL  36          3HG2      VAL  36  -0.443  -1.623   2.070
   76   HG22  VAL  36          1HG2      VAL  36  -1.191  -1.521   0.501
   77   HG23  VAL  36          2HG2      VAL  36  -1.747  -2.750   1.654
   78    H    ARG  37           H        ARG  37   0.995  -5.833   3.378
   79    HA   ARG  37           HA       ARG  37   3.031  -7.396   1.847
   80    HE   ARG  37           HE       ARG  37   3.040  -6.956   8.225
   81    HB2  ARG  37           2HB      ARG  37   4.246  -7.627   3.943
   82    HB3  ARG  37           3HB      ARG  37   4.078  -5.943   3.479
   83    HG2  ARG  37           2HG      ARG  37   2.584  -5.438   5.203
   84    HG3  ARG  37           3HG      ARG  37   2.096  -7.119   5.440
   85    HD2  ARG  37           2HD      ARG  37   4.244  -7.696   6.393
   86    HD3  ARG  37           3HD      ARG  37   4.882  -6.088   6.099
   87   HH11  ARG  37          1HH2      ARG  37   4.268  -4.022   6.643
   88   HH12  ARG  37          2HH2      ARG  37   3.709  -3.059   8.003
   89   HH21  ARG  37          2HH1      ARG  37   2.416  -5.494   9.860
   90   HH22  ARG  37          1HH1      ARG  37   2.794  -3.788   9.603
   91    HA   PRO  38           HA       PRO  38   0.370 -10.490   4.694
   92    HB2  PRO  38           2HB      PRO  38  -1.905  -9.798   2.773
   93    HB3  PRO  38           3HB      PRO  38  -2.018 -10.649   4.334
   94    HG2  PRO  38           2HG      PRO  38  -2.499  -8.067   4.363
   95    HG3  PRO  38           3HG      PRO  38  -1.275  -8.656   5.523
   96    HD2  PRO  38           2HD      PRO  38  -0.763  -7.400   2.805
   97    HD3  PRO  38           3HD      PRO  38  -0.011  -7.028   4.400
   98    H    PHE  39           H        PHE  39   0.294  -9.921   1.235
   99    HA   PHE  39           HA       PHE  39  -0.375 -12.554   0.416
  100    HD1  PHE  39           HD1      PHE  39   1.272  -8.611  -0.288
  101    HD2  PHE  39           HD2      PHE  39  -2.481 -10.501  -1.322
  102    HE1  PHE  39           HE1      PHE  39   0.113  -6.518   0.055
  103    HE2  PHE  39           HE2      PHE  39  -3.617  -8.288  -1.153
  104    HZ   PHE  39           HZ       PHE  39  -2.356  -6.307  -0.468
  105    HB2  PHE  39           2HB      PHE  39   1.135 -10.810  -1.475
  106    HB3  PHE  39           3HB      PHE  39  -0.379 -11.655  -1.704
  107    HA   PRO  40           HA       PRO  40   3.792 -14.077  -0.339
  108    HB2  PRO  40           2HB      PRO  40   3.328 -16.103  -2.172
  109    HB3  PRO  40           3HB      PRO  40   2.769 -16.230  -0.480
  110    HG2  PRO  40           2HG      PRO  40   1.179 -15.282  -2.887
  111    HG3  PRO  40           3HG      PRO  40   0.714 -16.526  -1.681
  112    HD2  PRO  40           2HD      PRO  40  -0.101 -13.919  -1.518
  113    HD3  PRO  40           3HD      PRO  40   0.241 -14.895  -0.057
  114    H    LEU  41           H        LEU  41   5.019 -14.750  -2.636
  115    HA   LEU  41           HA       LEU  41   5.540 -12.333  -3.979
  116    HG   LEU  41           HG       LEU  41   8.024 -12.881  -4.073
  117    HB2  LEU  41           2HB      LEU  41   6.166 -15.239  -4.578
  118    HB3  LEU  41           3HB      LEU  41   6.635 -13.954  -5.681
  119   HD11  LEU  41          1HD1      LEU  41   7.295 -15.100  -2.121
  120   HD12  LEU  41          2HD1      LEU  41   8.624 -13.940  -1.916
  121   HD13  LEU  41          3HD1      LEU  41   6.962 -13.358  -1.932
  122   HD21  LEU  41          3HD2      LEU  41   8.958 -14.682  -5.465
  123   HD22  LEU  41          1HD2      LEU  41   9.773 -14.594  -3.898
  124   HD23  LEU  41          2HD2      LEU  41   8.572 -15.869  -4.203
  125    H    ASP  42           H        ASP  42   2.880 -14.376  -4.542
  126    HA   ASP  42           HA       ASP  42   2.371 -13.923  -7.319
  127    HB2  ASP  42           2HB      ASP  42   0.500 -14.623  -5.030
  128    HB3  ASP  42           3HB      ASP  42   0.102 -14.741  -6.739
  129    H    VAL  43           H        VAL  43   2.129 -11.583  -4.787
  130    HA   VAL  43           HA       VAL  43  -0.008 -10.024  -6.113
  131    HB   VAL  43           HB       VAL  43   0.305 -10.028  -3.643
  132   HG11  VAL  43          1HG1      VAL  43   2.668  -8.166  -4.144
  133   HG12  VAL  43          2HG1      VAL  43   1.976  -8.627  -2.581
  134   HG13  VAL  43          3HG1      VAL  43   2.802  -9.841  -3.561
  135   HG21  VAL  43          3HG2      VAL  43   0.409  -7.258  -4.928
  136   HG22  VAL  43          1HG2      VAL  43  -1.025  -8.286  -4.739
  137   HG23  VAL  43          2HG2      VAL  43  -0.197  -7.666  -3.313
  138    H    GLN  44           H        GLN  44   0.269  -8.035  -7.156
  139    HA   GLN  44           HA       GLN  44   2.667  -6.617  -7.294
  140    HB2  GLN  44           2HB      GLN  44   3.269  -6.710  -9.682
  141    HB3  GLN  44           3HB      GLN  44   3.672  -8.138  -8.807
  142    HG2  GLN  44           2HG      GLN  44   1.094  -8.080 -10.396
  143    HG3  GLN  44           3HG      GLN  44   2.637  -8.258 -11.213
  144   HE21  GLN  44          1HE2      GLN  44   0.208  -9.973  -9.557
  145   HE22  GLN  44          2HE2      GLN  44   1.096 -11.457  -9.261
  146    H    GLU  45           H        GLU  45   2.332  -5.077  -9.595
  147    HA   GLU  45           HA       GLU  45   0.422  -3.254  -8.691
  148    HB2  GLU  45           2HB      GLU  45   0.855  -1.975 -10.682
  149    HB3  GLU  45           3HB      GLU  45   2.351  -2.619 -10.008
  150    HG2  GLU  45           2HG      GLU  45   2.373  -4.409 -11.689
  151    HG3  GLU  45           3HG      GLU  45   0.855  -3.806 -12.370
  152    H    SER  46           H        SER  46  -0.320  -5.989 -10.726
  153    HA   SER  46           HA       SER  46  -2.854  -4.972 -11.746
  154    HG   SER  46           HG       SER  46  -3.401  -8.501 -11.496
  155    HB2  SER  46           2HB      SER  46  -1.908  -6.693 -12.984
  156    HB3  SER  46           3HB      SER  46  -1.482  -7.653 -11.563
  157    H    GLU  47           H        GLU  47  -1.837  -6.544  -8.706
  158    HA   GLU  47           HA       GLU  47  -4.559  -7.362  -7.912
  159    HB2  GLU  47           2HB      GLU  47  -1.677  -7.691  -6.954
  160    HB3  GLU  47           3HB      GLU  47  -3.001  -8.059  -5.915
  161    HG2  GLU  47           2HG      GLU  47  -2.237 -10.079  -7.005
  162    HG3  GLU  47           3HG      GLU  47  -3.883  -9.711  -7.534
  163    H    LEU  48           H        LEU  48  -1.904  -5.134  -7.147
  164    HA   LEU  48           HA       LEU  48  -3.277  -3.559  -5.165
  165    HG   LEU  48           HG       LEU  48  -0.521  -4.801  -5.528
  166    HB2  LEU  48           2HB      LEU  48  -1.116  -2.871  -7.192
  167    HB3  LEU  48           3HB      LEU  48  -1.536  -1.931  -5.822
  168   HD11  LEU  48          1HD1      LEU  48   1.100  -2.258  -5.308
  169   HD12  LEU  48          2HD1      LEU  48   1.648  -3.936  -5.127
  170   HD13  LEU  48          3HD1      LEU  48   1.101  -3.354  -6.708
  171   HD21  LEU  48          3HD2      LEU  48  -1.526  -3.945  -3.510
  172   HD22  LEU  48          1HD2      LEU  48   0.237  -3.957  -3.356
  173   HD23  LEU  48          2HD2      LEU  48  -0.599  -2.404  -3.683
  174    H    ASN  49           H        ASN  49  -3.125  -3.492  -8.774
  175    HA   ASN  49           HA       ASN  49  -4.849  -1.206  -9.101
  176    HB2  ASN  49           2HB      ASN  49  -3.978  -3.381 -10.888
  177    HB3  ASN  49           3HB      ASN  49  -5.601  -2.863 -11.222
  178   HD21  ASN  49          2HD2      ASN  49  -2.258  -1.815 -11.030
  179   HD22  ASN  49          1HD2      ASN  49  -2.481  -0.384 -12.041
  180    H    GLU  50           H        GLU  50  -5.827  -4.634  -8.709
  181    HA   GLU  50           HA       GLU  50  -8.648  -4.164  -8.733
  182    HB2  GLU  50           2HB      GLU  50  -6.804  -6.254  -7.641
  183    HB3  GLU  50           3HB      GLU  50  -8.478  -6.283  -7.097
  184    HG2  GLU  50           2HG      GLU  50  -7.604  -6.279 -10.036
  185    HG3  GLU  50           3HG      GLU  50  -7.913  -7.740  -9.102
  186    H    ILE  51           H        ILE  51  -6.361  -4.028  -5.989
  187    HA   ILE  51           HA       ILE  51  -8.478  -3.596  -4.024
  188    HB   ILE  51           HB       ILE  51  -5.483  -3.567  -4.020
  189   HG12  ILE  51          2HG1      ILE  51  -7.358  -5.557  -2.680
  190   HG13  ILE  51          3HG1      ILE  51  -6.744  -5.759  -4.309
  191   HG21  ILE  51          1HG2      ILE  51  -5.549  -3.554  -1.499
  192   HG22  ILE  51          2HG2      ILE  51  -6.147  -2.048  -2.176
  193   HG23  ILE  51          3HG2      ILE  51  -7.302  -3.264  -1.585
  194   HD11  ILE  51          3HD1      ILE  51  -5.334  -7.064  -2.923
  195   HD12  ILE  51          1HD1      ILE  51  -4.384  -5.646  -3.387
  196   HD13  ILE  51          2HD1      ILE  51  -5.100  -5.752  -1.759
  197    H    PHE  52           H        PHE  52  -6.116  -1.465  -5.622
  198    HA   PHE  52           HA       PHE  52  -6.776   0.826  -3.911
  199    HD1  PHE  52           HD2      PHE  52  -4.417  -1.766  -4.252
  200    HD2  PHE  52           HD1      PHE  52  -3.876   2.307  -2.998
  201    HE1  PHE  52           HE2      PHE  52  -2.844  -2.535  -2.540
  202    HE2  PHE  52           HE1      PHE  52  -2.128   1.542  -1.451
  203    HZ   PHE  52           HZ       PHE  52  -1.487  -0.852  -1.346
  204    HB2  PHE  52           2HB      PHE  52  -4.610   0.347  -5.876
  205    HB3  PHE  52           3HB      PHE  52  -4.878   1.881  -5.078
  206    H    GLY  53           H        GLY  53  -7.415  -0.288  -7.158
  207    HA2  GLY  53           2HA      GLY  53  -7.994   1.972  -8.670
  208    HA3  GLY  53           3HA      GLY  53  -8.894   0.455  -8.709
  209    HA   PRO  54           HA       PRO  54 -12.330   2.386  -6.499
  210    HB2  PRO  54           2HB      PRO  54 -11.605   1.699  -3.665
  211    HB3  PRO  54           3HB      PRO  54 -13.129   1.388  -4.551
  212    HG2  PRO  54           2HG      PRO  54 -11.384  -0.629  -4.063
  213    HG3  PRO  54           3HG      PRO  54 -12.163  -0.500  -5.678
  214    HD2  PRO  54           2HD      PRO  54  -9.479   0.593  -4.808
  215    HD3  PRO  54           3HD      PRO  54  -9.774  -0.519  -6.162
  216    H    PHE  55           H        PHE  55  -9.188   3.166  -5.018
  217    HA   PHE  55           HA       PHE  55 -10.199   5.494  -3.567
  218    HD1  PHE  55           HD2      PHE  55 -10.194   3.424  -2.337
  219    HD2  PHE  55           HD1      PHE  55  -5.931   3.517  -2.812
  220    HE1  PHE  55           HE2      PHE  55 -10.048   1.189  -1.274
  221    HE2  PHE  55           HE1      PHE  55  -5.758   1.382  -1.445
  222    HZ   PHE  55           HZ       PHE  55  -7.847   0.203  -0.786
  223    HB2  PHE  55           2HB      PHE  55  -7.293   4.849  -4.079
  224    HB3  PHE  55           3HB      PHE  55  -7.985   5.751  -2.770
  225    H    GLY  56           H        GLY  56  -8.015   4.844  -6.275
  226    HA2  GLY  56           2HA      GLY  56  -8.469   6.032  -8.303
  227    HA3  GLY  56           3HA      GLY  56  -8.572   7.534  -7.382
  228    HA   PRO  57           HA       PRO  57  -4.584   8.514  -8.531
  229    HB2  PRO  57           2HB      PRO  57  -3.622  10.198  -6.629
  230    HB3  PRO  57           3HB      PRO  57  -5.195  10.460  -7.428
  231    HG2  PRO  57           2HG      PRO  57  -4.691   9.042  -4.788
  232    HG3  PRO  57           3HG      PRO  57  -5.774  10.443  -5.090
  233    HD2  PRO  57           2HD      PRO  57  -6.707   7.883  -5.114
  234    HD3  PRO  57           3HD      PRO  57  -7.330   9.116  -6.254
  235    H    MET  58           H        MET  58  -4.300   5.788  -7.388
  236    HA   MET  58           HA       MET  58  -1.835   5.276  -6.012
  237    HB2  MET  58           2HB      MET  58  -1.630   3.322  -7.459
  238    HB3  MET  58           3HB      MET  58  -3.078   3.421  -6.455
  239    HG2  MET  58           2HG      MET  58  -4.514   3.622  -8.210
  240    HG3  MET  58           3HG      MET  58  -3.358   4.467  -9.244
  241    HE1  MET  58           3HE      MET  58  -2.893   1.198  -7.228
  242    HE2  MET  58           1HE      MET  58  -4.504   0.914  -7.914
  243    HE3  MET  58           2HE      MET  58  -3.111  -0.073  -8.443
  244    H    LYS  59           H        LYS  59  -0.120   6.400  -6.288
  245    HA   LYS  59           HA       LYS  59   0.670   7.505  -8.916
  246    HB2  LYS  59           2HB      LYS  59   0.221   8.811  -6.746
  247    HB3  LYS  59           3HB      LYS  59   1.703   8.078  -6.098
  248    HG2  LYS  59           2HG      LYS  59   2.894   9.042  -8.152
  249    HG3  LYS  59           3HG      LYS  59   1.324   9.832  -8.494
  250    HD2  LYS  59           2HD      LYS  59   2.897  11.296  -7.436
  251    HD3  LYS  59           3HD      LYS  59   1.503  10.964  -6.416
  252    HE2  LYS  59           2HE      LYS  59   3.440  11.079  -5.019
  253    HE3  LYS  59           3HE      LYS  59   2.936   9.384  -5.072
  254    HZ1  LYS  59           3HZ      LYS  59   5.218  10.593  -6.533
  255    HZ2  LYS  59           1HZ      LYS  59   5.259   9.389  -5.405
  256    HZ3  LYS  59           2HZ      LYS  59   4.648   9.095  -6.879
  257    H    GLU  60           H        GLU  60   2.047   5.728  -6.204
  258    HA   GLU  60           HA       GLU  60   3.984   4.459  -8.039
  259    HB2  GLU  60           2HB      GLU  60   4.866   6.392  -6.142
  260    HB3  GLU  60           3HB      GLU  60   5.356   4.821  -5.507
  261    HG2  GLU  60           2HG      GLU  60   5.895   5.591  -8.402
  262    HG3  GLU  60           3HG      GLU  60   6.875   6.231  -7.108
  263    H    VAL  61           H        VAL  61   4.951   2.581  -7.286
  264    HA   VAL  61           HA       VAL  61   3.187   0.918  -5.614
  265    HB   VAL  61           HB       VAL  61   3.336   0.344  -8.639
  266   HG11  VAL  61          1HG1      VAL  61   1.130  -0.401  -6.693
  267   HG12  VAL  61          2HG1      VAL  61   1.493  -1.107  -8.290
  268   HG13  VAL  61          3HG1      VAL  61   2.590  -1.379  -6.927
  269   HG21  VAL  61          3HG2      VAL  61   2.173   2.474  -8.669
  270   HG22  VAL  61          1HG2      VAL  61   1.075   1.154  -9.042
  271   HG23  VAL  61          2HG2      VAL  61   1.027   1.898  -7.440
  272    H    LYS  62           H        LYS  62   5.393   0.943  -4.731
  273    HA   LYS  62           HA       LYS  62   7.562  -0.338  -6.198
  274    HB2  LYS  62           2HB      LYS  62   7.328   0.181  -3.216
  275    HB3  LYS  62           3HB      LYS  62   8.808  -0.084  -4.146
  276    HG2  LYS  62           2HG      LYS  62   8.137   2.043  -5.450
  277    HG3  LYS  62           3HG      LYS  62   6.928   2.316  -4.196
  278    HD2  LYS  62           2HD      LYS  62   8.656   3.562  -3.324
  279    HD3  LYS  62           3HD      LYS  62   8.982   2.012  -2.547
  280    HE2  LYS  62           2HE      LYS  62  11.088   2.563  -3.390
  281    HE3  LYS  62           3HE      LYS  62  10.451   1.530  -4.678
  282    HZ1  LYS  62           3HZ      LYS  62  10.619   4.485  -4.605
  283    HZ2  LYS  62           1HZ      LYS  62  11.314   3.495  -5.694
  284    HZ3  LYS  62           2HZ      LYS  62   9.683   3.722  -5.743
  285    H    ILE  63           H        ILE  63   7.534  -2.483  -6.624
  286    HA   ILE  63           HA       ILE  63   6.160  -4.335  -4.714
  287    HB   ILE  63           HB       ILE  63   6.919  -5.099  -7.548
  288   HG12  ILE  63          2HG1      ILE  63   5.476  -3.223  -7.962
  289   HG13  ILE  63          3HG1      ILE  63   4.779  -4.745  -8.460
  290   HG21  ILE  63          1HG2      ILE  63   6.423  -6.940  -6.038
  291   HG22  ILE  63          2HG2      ILE  63   4.882  -6.206  -5.569
  292   HG23  ILE  63          3HG2      ILE  63   5.134  -6.803  -7.225
  293   HD11  ILE  63          3HD1      ILE  63   3.310  -4.731  -6.412
  294   HD12  ILE  63          1HD1      ILE  63   3.942  -3.122  -6.019
  295   HD13  ILE  63          2HD1      ILE  63   3.055  -3.410  -7.540
  296    H    LEU  64           H        LEU  64   7.433  -5.610  -3.558
  297    HA   LEU  64           HA       LEU  64  10.142  -6.406  -4.555
  298    HG   LEU  64           HG       LEU  64  11.207  -4.192  -3.752
  299    HB2  LEU  64           2HB      LEU  64   9.370  -5.564  -1.766
  300    HB3  LEU  64           3HB      LEU  64  10.909  -6.217  -2.293
  301   HD11  LEU  64          1HD1      LEU  64   8.628  -3.319  -2.503
  302   HD12  LEU  64          2HD1      LEU  64   9.914  -2.118  -2.835
  303   HD13  LEU  64          3HD1      LEU  64   9.268  -3.044  -4.143
  304   HD21  LEU  64          3HD2      LEU  64  12.298  -4.490  -1.667
  305   HD22  LEU  64          1HD2      LEU  64  11.714  -2.811  -1.704
  306   HD23  LEU  64          2HD2      LEU  64  10.819  -4.078  -0.778
  307    H    ASN  65           H        ASN  65   9.534  -8.494  -5.108
  308    HA   ASN  65           HA       ASN  65   8.878 -10.674  -4.866
  309    HB2  ASN  65           2HB      ASN  65   9.732 -10.502  -1.951
  310    HB3  ASN  65           3HB      ASN  65   9.851 -11.865  -3.052
  311   HD21  ASN  65          2HD2      ASN  65  11.364  -9.049  -1.788
  312   HD22  ASN  65          1HD2      ASN  65  12.811  -9.104  -2.770
  313    H    GLY  66           H        GLY  66   7.990 -10.528  -1.526
  314    HA2  GLY  66           2HA      GLY  66   5.134 -10.955  -2.072
  315    HA3  GLY  66           3HA      GLY  66   5.964 -11.096  -0.536
  316    H    PHE  67           H        PHE  67   7.000  -8.102  -1.469
  317    HA   PHE  67           HA       PHE  67   4.852  -6.839   0.145
  318    HD1  PHE  67           HD2      PHE  67   5.745  -7.134   2.505
  319    HD2  PHE  67           HD1      PHE  67   9.290  -7.652   0.161
  320    HE1  PHE  67           HE2      PHE  67   6.395  -9.032   3.980
  321    HE2  PHE  67           HE1      PHE  67   9.913  -9.623   1.541
  322    HZ   PHE  67           HZ       PHE  67   8.491 -10.304   3.476
  323    HB2  PHE  67           2HB      PHE  67   7.706  -5.917  -0.376
  324    HB3  PHE  67           3HB      PHE  67   6.613  -5.349   0.874
  325    H    ALA  68           H        ALA  68   4.155  -4.825  -0.191
  326    HA   ALA  68           HA       ALA  68   4.658  -3.348  -2.783
  327    HB1  ALA  68           1HB      ALA  68   2.685  -4.691  -3.059
  328    HB2  ALA  68           2HB      ALA  68   2.009  -4.019  -1.557
  329    HB3  ALA  68           3HB      ALA  68   2.320  -2.951  -2.943
  330    H    PHE  69           H        PHE  69   5.227  -1.386  -2.405
  331    HA   PHE  69           HA       PHE  69   3.979   0.034  -0.133
  332    HD1  PHE  69           HD1      PHE  69   5.674  -0.866   1.932
  333    HD2  PHE  69           HD2      PHE  69   8.390  -0.352  -1.370
  334    HE1  PHE  69           HE1      PHE  69   6.959  -2.912   2.628
  335    HE2  PHE  69           HE2      PHE  69   9.658  -2.315  -0.641
  336    HZ   PHE  69           HZ       PHE  69   8.943  -3.660   1.257
  337    HB2  PHE  69           2HB      PHE  69   6.589   1.032  -1.210
  338    HB3  PHE  69           3HB      PHE  69   5.857   1.341   0.356
  339    H    VAL  70           H        VAL  70   2.296   0.503  -1.277
  340    HA   VAL  70           HA       VAL  70   2.498   1.930  -3.846
  341    HB   VAL  70           HB       VAL  70   0.000   1.614  -2.188
  342   HG11  VAL  70          1HG1      VAL  70   0.434   1.570  -5.175
  343   HG12  VAL  70          2HG1      VAL  70  -1.112   1.465  -4.332
  344   HG13  VAL  70          3HG1      VAL  70  -0.202   3.012  -4.292
  345   HG21  VAL  70          3HG2      VAL  70   0.850  -0.630  -2.516
  346   HG22  VAL  70          1HG2      VAL  70  -0.425  -0.335  -3.715
  347   HG23  VAL  70          2HG2      VAL  70   1.286  -0.191  -4.221
  348    H    GLU  71           H        GLU  71   1.673   4.108  -4.080
  349    HA   GLU  71           HA       GLU  71   2.157   5.881  -1.717
  350    HB2  GLU  71           2HB      GLU  71   4.317   5.249  -3.071
  351    HB3  GLU  71           3HB      GLU  71   3.589   6.192  -4.365
  352    HG2  GLU  71           2HG      GLU  71   3.465   8.188  -2.955
  353    HG3  GLU  71           3HG      GLU  71   4.087   7.273  -1.588
  354    H    PHE  72           H        PHE  72   1.243   7.891  -2.012
  355    HA   PHE  72           HA       PHE  72  -0.184   8.509  -4.579
  356    HD1  PHE  72           HD2      PHE  72  -1.948   7.022  -4.683
  357    HD2  PHE  72           HD1      PHE  72  -2.181   7.731  -0.446
  358    HE1  PHE  72           HE2      PHE  72  -3.351   4.946  -4.396
  359    HE2  PHE  72           HE1      PHE  72  -3.584   5.696  -0.179
  360    HZ   PHE  72           HZ       PHE  72  -4.134   4.310  -2.117
  361    HB2  PHE  72           2HB      PHE  72  -1.063   9.243  -1.770
  362    HB3  PHE  72           3HB      PHE  72  -1.928   9.491  -3.270
  363    H    GLU  73           H        GLU  73  -0.543  10.787  -4.993
  364    HA   GLU  73           HA       GLU  73   1.472  12.587  -3.775
  365    HB2  GLU  73           2HB      GLU  73   0.636  14.330  -5.356
  366    HB3  GLU  73           3HB      GLU  73   1.531  12.992  -5.999
  367    HG2  GLU  73           2HG      GLU  73  -0.707  11.921  -6.662
  368    HG3  GLU  73           3HG      GLU  73  -1.500  13.377  -6.063
  369    H    GLU  74           H        GLU  74  -1.524  11.470  -3.070
  370    HA   GLU  74           HA       GLU  74  -2.758  13.943  -1.952
  371    HB2  GLU  74           2HB      GLU  74  -3.829  12.976  -3.992
  372    HB3  GLU  74           3HB      GLU  74  -4.032  11.439  -3.156
  373    HG2  GLU  74           2HG      GLU  74  -5.479  12.574  -1.475
  374    HG3  GLU  74           3HG      GLU  74  -5.297  14.090  -2.343
  375    H    ALA  75           H        ALA  75  -2.138  13.803   0.227
  376    HA   ALA  75           HA       ALA  75  -2.079  11.388   1.760
  377    HB1  ALA  75           1HB      ALA  75  -0.919  13.469   2.427
  378    HB2  ALA  75           2HB      ALA  75  -2.492  14.252   2.714
  379    HB3  ALA  75           3HB      ALA  75  -1.975  12.867   3.702
  380    H    GLU  76           H        GLU  76  -4.806  13.319   0.702
  381    HA   GLU  76           HA       GLU  76  -6.756  12.148   2.506
  382    HB2  GLU  76           2HB      GLU  76  -7.257  13.268  -0.268
  383    HB3  GLU  76           3HB      GLU  76  -8.434  13.011   1.008
  384    HG2  GLU  76           2HG      GLU  76  -6.153  15.033   1.022
  385    HG3  GLU  76           3HG      GLU  76  -7.857  15.377   0.778
  386    H    SER  77           H        SER  77  -5.164  10.941  -0.422
  387    HA   SER  77           HA       SER  77  -7.030   8.674  -0.622
  388    HG   SER  77           HG       SER  77  -5.016   6.885  -2.321
  389    HB2  SER  77           2HB      SER  77  -5.835   9.485  -2.659
  390    HB3  SER  77           3HB      SER  77  -4.320   8.911  -1.976
  391    H    ALA  78           H        ALA  78  -3.942   9.386   0.922
  392    HA   ALA  78           HA       ALA  78  -3.553   6.677   1.824
  393    HB1  ALA  78           1HB      ALA  78  -2.748   9.153   3.346
  394    HB2  ALA  78           2HB      ALA  78  -1.908   7.579   3.202
  395    HB3  ALA  78           3HB      ALA  78  -2.003   8.688   1.809
  396    H    ALA  79           H        ALA  79  -5.200   9.490   3.387
  397    HA   ALA  79           HA       ALA  79  -6.429   8.199   5.551
  398    HB1  ALA  79           1HB      ALA  79  -7.586  10.412   3.829
  399    HB2  ALA  79           2HB      ALA  79  -8.031  10.004   5.500
  400    HB3  ALA  79           3HB      ALA  79  -6.408  10.626   5.147
  401    H    LYS  80           H        LYS  80  -7.864   8.483   2.201
  402    HA   LYS  80           HA       LYS  80 -10.046   6.846   3.023
  403    HB2  LYS  80           2HB      LYS  80 -10.973   7.230   0.983
  404    HB3  LYS  80           3HB      LYS  80  -9.783   8.525   0.970
  405    HG2  LYS  80           2HG      LYS  80  -8.317   6.896  -0.423
  406    HG3  LYS  80           3HG      LYS  80  -9.732   5.870  -0.493
  407    HD2  LYS  80           2HD      LYS  80 -10.209   7.134  -2.377
  408    HD3  LYS  80           3HD      LYS  80 -10.912   8.244  -1.222
  409    HE2  LYS  80           2HE      LYS  80  -8.803   9.531  -1.162
  410    HE3  LYS  80           3HE      LYS  80  -8.046   8.347  -2.248
  411    HZ1  LYS  80           3HZ      LYS  80  -8.738  10.356  -3.379
  412    HZ2  LYS  80           1HZ      LYS  80  -9.497   9.021  -4.004
  413    HZ3  LYS  80           2HZ      LYS  80 -10.315  10.069  -3.030
  414    H    ALA  81           H        ALA  81  -7.035   5.970   1.422
  415    HA   ALA  81           HA       ALA  81  -7.640   3.272   0.831
  416    HB1  ALA  81           1HB      ALA  81  -4.963   4.477   1.585
  417    HB2  ALA  81           2HB      ALA  81  -5.244   2.917   0.779
  418    HB3  ALA  81           3HB      ALA  81  -5.690   4.412  -0.036
  419    H    ILE  82           H        ILE  82  -6.265   4.833   3.809
  420    HA   ILE  82           HA       ILE  82  -6.055   2.573   5.435
  421    HB   ILE  82           HB       ILE  82  -6.739   5.413   6.193
  422   HG12  ILE  82          2HG1      ILE  82  -4.104   4.168   6.928
  423   HG13  ILE  82          3HG1      ILE  82  -4.313   4.622   5.246
  424   HG21  ILE  82          1HG2      ILE  82  -7.505   3.976   8.056
  425   HG22  ILE  82          2HG2      ILE  82  -5.900   3.213   8.122
  426   HG23  ILE  82          3HG2      ILE  82  -6.103   4.920   8.517
  427   HD11  ILE  82          3HD1      ILE  82  -3.346   6.495   6.428
  428   HD12  ILE  82          1HD1      ILE  82  -5.021   6.883   5.992
  429   HD13  ILE  82          2HD1      ILE  82  -4.640   6.455   7.653
  430    H    GLU  83           H        GLU  83  -8.822   4.847   5.291
  431    HA   GLU  83           HA       GLU  83 -10.538   3.302   6.945
  432    HB2  GLU  83           2HB      GLU  83 -11.137   5.368   4.823
  433    HB3  GLU  83           3HB      GLU  83 -12.349   4.713   5.925
  434    HG2  GLU  83           2HG      GLU  83  -9.794   6.107   6.884
  435    HG3  GLU  83           3HG      GLU  83 -11.320   6.924   6.590
  436    H    GLU  84           H        GLU  84  -9.754   2.827   3.580
  437    HA   GLU  84           HA       GLU  84 -12.093   1.129   2.966
  438    HB2  GLU  84           2HB      GLU  84  -9.568   1.907   1.463
  439    HB3  GLU  84           3HB      GLU  84 -10.695   0.719   0.833
  440    HG2  GLU  84           2HG      GLU  84 -11.665   3.482   1.564
  441    HG3  GLU  84           3HG      GLU  84 -10.847   3.199   0.029
  442    H    VAL  85           H        VAL  85  -8.604   0.618   3.634
  443    HA   VAL  85           HA       VAL  85  -9.084  -2.312   3.878
  444    HB   VAL  85           HB       VAL  85  -8.858  -1.793   1.548
  445   HG11  VAL  85          1HG1      VAL  85  -6.185  -0.607   2.244
  446   HG12  VAL  85          2HG1      VAL  85  -6.605  -1.144   0.601
  447   HG13  VAL  85          3HG1      VAL  85  -7.542   0.133   1.398
  448   HG21  VAL  85          3HG2      VAL  85  -8.047  -3.983   2.405
  449   HG22  VAL  85          1HG2      VAL  85  -7.341  -3.463   0.872
  450   HG23  VAL  85          2HG2      VAL  85  -6.400  -3.314   2.354
  451    H    HIS  86           H        HIS  86  -7.357   0.277   5.284
  452    HA   HIS  86           HA       HIS  86  -5.059  -1.267   6.197
  453    HD1  HIS  86           HD1      HIS  86  -2.843   1.393   7.401
  454    HD2  HIS  86           HD2      HIS  86  -5.627  -0.397   9.987
  455    HE1  HIS  86           HE1      HIS  86  -1.600   0.940   9.603
  456    HB2  HIS  86           2HB      HIS  86  -5.173   1.171   6.407
  457    HB3  HIS  86           3HB      HIS  86  -6.460   1.031   7.601
  458    H    GLY  87           H        GLY  87  -5.233  -3.140   7.338
  459    HA2  GLY  87           2HA      GLY  87  -5.325  -4.087   9.522
  460    HA3  GLY  87           3HA      GLY  87  -6.627  -2.992   9.975
  461    H    LYS  88           H        LYS  88  -7.343  -3.993   6.961
  462    HA   LYS  88           HA       LYS  88  -9.353  -6.044   7.616
  463    HB2  LYS  88           2HB      LYS  88  -8.332  -4.565   5.150
  464    HB3  LYS  88           3HB      LYS  88  -9.386  -5.887   5.018
  465    HG2  LYS  88           2HG      LYS  88 -10.679  -3.866   4.864
  466    HG3  LYS  88           3HG      LYS  88 -11.143  -4.677   6.353
  467    HD2  LYS  88           2HD      LYS  88  -9.999  -3.078   7.714
  468    HD3  LYS  88           3HD      LYS  88  -9.025  -2.515   6.356
  469    HE2  LYS  88           2HE      LYS  88 -11.129  -1.653   5.278
  470    HE3  LYS  88           3HE      LYS  88 -11.983  -2.015   6.782
  471    HZ1  LYS  88           3HZ      LYS  88  -9.667  -0.143   6.547
  472    HZ2  LYS  88           1HZ      LYS  88 -11.230   0.302   6.693
  473    HZ3  LYS  88           2HZ      LYS  88 -10.466  -0.475   7.926
  474    H    SER  89           H        SER  89  -9.074  -8.174   7.055
  475    HA   SER  89           HA       SER  89  -6.283  -9.081   6.922
  476    HG   SER  89           HG       SER  89  -9.391 -10.997   6.654
  477    HB2  SER  89           2HB      SER  89  -7.257 -11.321   7.389
  478    HB3  SER  89           3HB      SER  89  -7.541 -10.080   8.624
  479    H    PHE  90           H        PHE  90  -5.537  -8.762   4.777
  480    HA   PHE  90           HA       PHE  90  -7.072 -10.075   2.592
  481    HD1  PHE  90           HD2      PHE  90  -4.180 -10.690   0.578
  482    HD2  PHE  90           HD1      PHE  90  -7.197  -7.611   0.412
  483    HE1  PHE  90           HE2      PHE  90  -4.775 -11.392  -1.721
  484    HE2  PHE  90           HE1      PHE  90  -7.724  -8.260  -1.918
  485    HZ   PHE  90           HZ       PHE  90  -6.559 -10.190  -2.963
  486    HB2  PHE  90           2HB      PHE  90  -6.029  -7.908   2.318
  487    HB3  PHE  90           3HB      PHE  90  -4.432  -8.585   2.436
  488    H    ALA  91           H        ALA  91  -6.509 -11.925   1.604
  489    HA   ALA  91           HA       ALA  91  -5.889 -14.043   1.348
  490    HB1  ALA  91           1HB      ALA  91  -3.135 -13.021   2.103
  491    HB2  ALA  91           2HB      ALA  91  -3.497 -14.569   1.316
  492    HB3  ALA  91           3HB      ALA  91  -3.870 -13.049   0.481
  493    H    ASN  92           H        ASN  92  -4.106 -13.136   4.300
  494    HA   ASN  92           HA       ASN  92  -5.595 -15.000   5.985
  495    HB2  ASN  92           2HB      ASN  92  -3.597 -16.294   6.689
  496    HB3  ASN  92           3HB      ASN  92  -3.969 -16.531   4.993
  497   HD21  ASN  92          2HD2      ASN  92  -1.642 -15.006   7.246
  498   HD22  ASN  92          1HD2      ASN  92  -0.413 -14.810   6.015
  499    H    GLN  93           H        GLN  93  -4.015 -12.015   5.690
  500    HA   GLN  93           HA       GLN  93  -3.948 -11.513   8.569
  501    HB2  GLN  93           2HB      GLN  93  -1.539 -11.122   8.738
  502    HB3  GLN  93           3HB      GLN  93  -1.890 -12.784   8.330
  503    HG2  GLN  93           2HG      GLN  93  -1.426 -12.121   5.883
  504    HG3  GLN  93           3HG      GLN  93  -0.764 -10.618   6.555
  505   HE21  GLN  93          2HE2      GLN  93   0.578 -12.900   5.017
  506   HE22  GLN  93          1HE2      GLN  93   1.826 -13.455   6.131
  507    HA   PRO  94           HA       PRO  94  -4.709  -7.618   7.098
  508    HB2  PRO  94           2HB      PRO  94  -4.116  -5.884   9.159
  509    HB3  PRO  94           3HB      PRO  94  -5.374  -7.159   9.286
  510    HG2  PRO  94           2HG      PRO  94  -2.461  -7.335  10.149
  511    HG3  PRO  94           3HG      PRO  94  -3.927  -7.682  11.135
  512    HD2  PRO  94           2HD      PRO  94  -2.532  -9.620   9.876
  513    HD3  PRO  94           3HD      PRO  94  -4.326  -9.668   9.894
  514    H    LEU  95           H        LEU  95  -4.286  -5.869   6.106
  515    HA   LEU  95           HA       LEU  95  -1.714  -5.141   5.054
  516    HG   LEU  95           HG       LEU  95  -4.360  -4.017   2.691
  517    HB2  LEU  95           2HB      LEU  95  -4.457  -3.815   5.228
  518    HB3  LEU  95           3HB      LEU  95  -3.133  -3.115   4.380
  519   HD11  LEU  95          1HD1      LEU  95  -3.236  -5.697   1.591
  520   HD12  LEU  95          2HD1      LEU  95  -1.995  -4.866   2.553
  521   HD13  LEU  95          3HD1      LEU  95  -2.672  -6.419   3.087
  522   HD21  LEU  95          3HD2      LEU  95  -5.953  -5.178   4.074
  523   HD22  LEU  95          1HD2      LEU  95  -5.538  -5.879   2.520
  524   HD23  LEU  95          2HD2      LEU  95  -4.868  -6.604   4.019
  525    H    GLU  96           H        GLU  96  -0.571  -3.117   5.323
  526    HA   GLU  96           HA       GLU  96  -1.280  -1.400   7.640
  527    HB2  GLU  96           2HB      GLU  96   0.716  -2.948   8.036
  528    HB3  GLU  96           3HB      GLU  96   1.589  -1.975   6.841
  529    HG2  GLU  96           2HG      GLU  96   0.763   0.056   8.336
  530    HG3  GLU  96           3HG      GLU  96   0.498  -1.179   9.553
  531    H    VAL  97           H        VAL  97  -2.377  -0.894   5.482
  532    HA   VAL  97           HA       VAL  97  -1.207   0.769   3.439
  533    HB   VAL  97           HB       VAL  97  -3.945   0.451   4.690
  534   HG11  VAL  97          1HG1      VAL  97  -4.048   2.610   3.560
  535   HG12  VAL  97          2HG1      VAL  97  -3.438   1.863   2.053
  536   HG13  VAL  97          3HG1      VAL  97  -4.999   1.388   2.698
  537   HG21  VAL  97          3HG2      VAL  97  -2.634  -1.388   3.177
  538   HG22  VAL  97          1HG2      VAL  97  -4.375  -1.220   3.127
  539   HG23  VAL  97          2HG2      VAL  97  -3.352  -0.474   1.868
  540    H    VAL  98           H        VAL  98  -0.040   2.772   4.229
  541    HA   VAL  98           HA       VAL  98  -1.551   4.425   6.122
  542    HB   VAL  98           HB       VAL  98  -0.429   2.191   7.088
  543   HG11  VAL  98          1HG1      VAL  98   1.995   3.788   7.710
  544   HG12  VAL  98          2HG1      VAL  98   1.576   2.136   8.045
  545   HG13  VAL  98          3HG1      VAL  98   1.892   2.581   6.380
  546   HG21  VAL  98          3HG2      VAL  98  -0.545   3.134   9.229
  547   HG22  VAL  98          1HG2      VAL  98  -0.673   4.769   8.511
  548   HG23  VAL  98          2HG2      VAL  98  -1.898   3.507   8.137
  549    H    TYR  99           H        TYR  99   1.198   5.173   7.127
  550    HA   TYR  99           HA       TYR  99   2.142   6.965   4.921
  551    HD1  TYR  99           HD2      TYR  99   0.061   7.905   5.290
  552    HD2  TYR  99           HD1      TYR  99   1.818   9.435   8.925
  553    HE1  TYR  99           HE2      TYR  99  -1.794   9.519   5.519
  554    HE2  TYR  99           HE1      TYR  99  -0.012  11.099   9.097
  555    HH   TYR  99           HH       TYR  99  -1.967  11.884   8.208
  556    HB2  TYR  99           2HB      TYR  99   2.486   7.181   7.951
  557    HB3  TYR  99           3HB      TYR  99   3.142   8.270   6.741
  558    H    SER 100           H        SER 100   2.844   4.370   4.557
  559    HA   SER 100           HA       SER 100   4.444   2.892   5.894
  560    HG   SER 100           HG       SER 100   6.021   1.177   3.475
  561    HB2  SER 100           2HB      SER 100   3.887   2.270   3.641
  562    HB3  SER 100           3HB      SER 100   5.252   3.219   3.104
  563    H    LYS 101           H        LYS 101   6.052   3.140   7.230
  564    HA   LYS 101           HA       LYS 101   7.691   5.454   7.357
  565    HB2  LYS 101           2HB      LYS 101   8.428   4.562   9.477
  566    HB3  LYS 101           3HB      LYS 101   6.697   4.403   9.316
  567    HG2  LYS 101           2HG      LYS 101   8.214   1.979   8.444
  568    HG3  LYS 101           3HG      LYS 101   8.454   2.426  10.131
  569    HD2  LYS 101           2HD      LYS 101   6.012   2.397  10.513
  570    HD3  LYS 101           3HD      LYS 101   5.744   1.920   8.821
  571    HE2  LYS 101           2HE      LYS 101   7.064  -0.125   9.157
  572    HE3  LYS 101           3HE      LYS 101   7.450   0.356  10.813
  573    HZ1  LYS 101           3HZ      LYS 101   5.573  -1.236  10.689
  574    HZ2  LYS 101           1HZ      LYS 101   5.108   0.174  11.374
  575    HZ3  LYS 101           2HZ      LYS 101   4.688  -0.162   9.833
  576    H    LEU 102           H        LEU 102   8.474   4.238   4.979
  577    HA   LEU 102           HA       LEU 102  11.364   3.933   5.500
  578    HG   LEU 102           HG       LEU 102   8.610   1.579   4.579
  579    HB2  LEU 102           2HB      LEU 102  11.454   2.177   3.642
  580    HB3  LEU 102           3HB      LEU 102  10.960   1.717   5.259
  581   HD11  LEU 102          1HD1      LEU 102   8.083   1.536   2.098
  582   HD12  LEU 102          2HD1      LEU 102   8.352   3.137   2.776
  583   HD13  LEU 102          3HD1      LEU 102   9.637   2.346   1.814
  584   HD21  LEU 102          3HD2      LEU 102  10.105  -0.376   4.419
  585   HD22  LEU 102          1HD2      LEU 102   8.827  -0.416   3.198
  586   HD23  LEU 102          2HD2      LEU 102  10.477   0.048   2.731
  587    HA   PRO 103           HA       PRO 103  11.669   6.852   2.150
  588    HB2  PRO 103           2HB      PRO 103  14.345   6.914   1.756
  589    HB3  PRO 103           3HB      PRO 103  13.639   7.371   3.331
  590    HG2  PRO 103           2HG      PRO 103  14.774   4.664   2.525
  591    HG3  PRO 103           3HG      PRO 103  15.211   5.660   3.954
  592    HD2  PRO 103           2HD      PRO 103  13.349   3.656   4.077
  593    HD3  PRO 103           3HD      PRO 103  13.199   5.153   5.046
  594    H    ALA 104           H        ALA 104  12.977   7.017  -0.003
  595    HA   ALA 104           HA       ALA 104  13.319   6.506  -2.141
  596    HB1  ALA 104           1HB      ALA 104  13.707   3.622  -1.288
  597    HB2  ALA 104           2HB      ALA 104  14.952   4.891  -1.222
  598    HB3  ALA 104           3HB      ALA 104  14.269   4.383  -2.777
  Start of MODEL    5
    1    H    GLU  28           H        GLU  28   7.527  14.973   7.966
    2    HA   GLU  28           HA       GLU  28   6.683  14.393  10.142
    3    HB2  GLU  28           2HB      GLU  28   4.631  12.749  10.030
    4    HB3  GLU  28           3HB      GLU  28   4.466  14.465  10.294
    5    HG2  GLU  28           2HG      GLU  28   2.752  13.487   8.769
    6    HG3  GLU  28           3HG      GLU  28   3.621  14.870   8.109
    7    H    LEU  29           H        LEU  29   5.828  12.010   7.605
    8    HA   LEU  29           HA       LEU  29   8.000  10.162   8.470
    9    HG   LEU  29           HG       LEU  29   5.128   7.536   8.779
   10    HB2  LEU  29           2HB      LEU  29   5.722   9.922   9.666
   11    HB3  LEU  29           3HB      LEU  29   5.009   9.620   8.127
   12   HD11  LEU  29          1HD1      LEU  29   7.031   6.208   8.049
   13   HD12  LEU  29          2HD1      LEU  29   6.629   7.416   6.845
   14   HD13  LEU  29          3HD1      LEU  29   8.046   7.657   7.913
   15   HD21  LEU  29          3HD2      LEU  29   6.704   6.564  10.378
   16   HD22  LEU  29          1HD2      LEU  29   7.616   8.097  10.414
   17   HD23  LEU  29          2HD2      LEU  29   5.931   8.026  10.999
   18    H    SER  30           H        SER  30   5.241  10.668   6.280
   19    HA   SER  30           HA       SER  30   6.666  10.637   3.810
   20    HG   SER  30           HG       SER  30   7.798   8.573   4.660
   21    HB2  SER  30           2HB      SER  30   5.442   7.982   4.656
   22    HB3  SER  30           3HB      SER  30   5.555   8.436   2.951
   23    H    ASN  31           H        ASN  31   3.734  10.714   5.601
   24    HA   ASN  31           HA       ASN  31   1.595  10.922   5.248
   25    HB2  ASN  31           2HB      ASN  31   0.929  12.996   4.158
   26    HB3  ASN  31           3HB      ASN  31   2.209  13.127   5.323
   27   HD21  ASN  31          2HD2      ASN  31   4.352  13.712   4.606
   28   HD22  ASN  31          1HD2      ASN  31   4.562  14.413   2.993
   29    H    THR  32           H        THR  32   2.891   9.545   2.428
   30    HA   THR  32           HA       THR  32   0.136   9.162   1.341
   31    HB   THR  32           HB       THR  32   0.769   9.710  -0.796
   32    HG1  THR  32           1HG      THR  32   2.781  10.034  -1.480
   33   HG21  THR  32          1HG2      THR  32   0.588  11.742   0.706
   34   HG22  THR  32          2HG2      THR  32   2.374  11.740   0.733
   35   HG23  THR  32          3HG2      THR  32   1.504  11.962  -0.787
   36    H    ARG  33           H        ARG  33   1.765   6.920   2.764
   37    HA   ARG  33           HA       ARG  33   2.388   5.274   0.323
   38    HE   ARG  33           HE       ARG  33   6.926   6.655  -0.889
   39    HB2  ARG  33           2HB      ARG  33   4.193   5.710   2.684
   40    HB3  ARG  33           3HB      ARG  33   4.287   4.305   1.576
   41    HG2  ARG  33           2HG      ARG  33   4.795   5.451  -0.215
   42    HG3  ARG  33           3HG      ARG  33   4.517   7.063   0.555
   43    HD2  ARG  33           2HD      ARG  33   6.540   7.006   1.654
   44    HD3  ARG  33           3HD      ARG  33   6.581   5.234   1.727
   45   HH11  ARG  33          2HH2      ARG  33   8.474   4.463   1.432
   46   HH12  ARG  33          1HH2      ARG  33   9.513   3.868   0.156
   47   HH21  ARG  33          1HH1      ARG  33   8.250   5.874  -2.265
   48   HH22  ARG  33          2HH1      ARG  33   9.473   4.663  -1.814
   49    H    LEU  34           H        LEU  34   1.788   3.351   0.223
   50    HA   LEU  34           HA       LEU  34   0.475   2.224   2.605
   51    HG   LEU  34           HG       LEU  34  -2.211   2.964   0.037
   52    HB2  LEU  34           2HB      LEU  34  -0.138   1.438  -0.174
   53    HB3  LEU  34           3HB      LEU  34  -1.157   1.276   1.204
   54   HD11  LEU  34          1HD1      LEU  34  -2.246   4.883   1.279
   55   HD12  LEU  34          2HD1      LEU  34  -1.554   3.752   2.412
   56   HD13  LEU  34          3HD1      LEU  34  -0.521   4.923   1.565
   57   HD21  LEU  34          3HD2      LEU  34   0.450   3.635  -1.006
   58   HD22  LEU  34          1HD2      LEU  34  -1.105   3.613  -1.786
   59   HD23  LEU  34          2HD2      LEU  34  -0.613   5.007  -0.812
   60    H    PHE  35           H        PHE  35   1.241   0.536   3.550
   61    HA   PHE  35           HA       PHE  35   3.481  -0.949   2.313
   62    HD1  PHE  35           HD1      PHE  35   5.147  -2.388   3.364
   63    HD2  PHE  35           HD2      PHE  35   3.870  -0.556   7.051
   64    HE1  PHE  35           HE1      PHE  35   6.583  -3.953   4.633
   65    HE2  PHE  35           HE2      PHE  35   5.297  -2.138   8.327
   66    HZ   PHE  35           HZ       PHE  35   6.666  -3.832   7.124
   67    HB2  PHE  35           2HB      PHE  35   4.295   0.329   3.922
   68    HB3  PHE  35           3HB      PHE  35   3.069   0.367   4.984
   69    H    VAL  36           H        VAL  36   2.630  -2.500   1.404
   70    HA   VAL  36           HA       VAL  36   0.320  -4.036   2.535
   71    HB   VAL  36           HB       VAL  36   0.962  -2.647  -0.046
   72   HG11  VAL  36          1HG1      VAL  36  -1.380  -4.445   0.113
   73   HG12  VAL  36          2HG1      VAL  36  -0.947  -3.255  -1.130
   74   HG13  VAL  36          3HG1      VAL  36   0.098  -4.647  -0.908
   75   HG21  VAL  36          3HG2      VAL  36  -0.273  -1.413   1.797
   76   HG22  VAL  36          1HG2      VAL  36  -1.324  -1.629   0.427
   77   HG23  VAL  36          2HG2      VAL  36  -1.500  -2.706   1.801
   78    H    ARG  37           H        ARG  37   1.453  -5.595   3.318
   79    HA   ARG  37           HA       ARG  37   3.265  -7.237   1.623
   80    HE   ARG  37           HE       ARG  37   1.799  -7.550   7.214
   81    HB2  ARG  37           2HB      ARG  37   4.735  -7.334   3.640
   82    HB3  ARG  37           3HB      ARG  37   4.492  -5.734   2.990
   83    HG2  ARG  37           2HG      ARG  37   4.415  -5.396   5.257
   84    HG3  ARG  37           3HG      ARG  37   2.708  -5.431   4.852
   85    HD2  ARG  37           2HD      ARG  37   3.056  -8.039   5.393
   86    HD3  ARG  37           3HD      ARG  37   4.408  -7.455   6.328
   87   HH11  ARG  37          1HH1      ARG  37   4.190  -4.972   7.279
   88   HH12  ARG  37          2HH1      ARG  37   3.194  -4.053   8.411
   89   HH21  ARG  37          2HH2      ARG  37   0.483  -5.992   8.308
   90   HH22  ARG  37          1HH2      ARG  37   1.361  -4.615   8.984
   91    HA   PRO  38           HA       PRO  38   0.978 -10.349   4.609
   92    HB2  PRO  38           2HB      PRO  38  -1.533  -9.958   2.970
   93    HB3  PRO  38           3HB      PRO  38  -1.363 -10.508   4.649
   94    HG2  PRO  38           2HG      PRO  38  -2.150  -8.048   4.128
   95    HG3  PRO  38           3HG      PRO  38  -0.931  -8.269   5.397
   96    HD2  PRO  38           2HD      PRO  38  -0.449  -7.392   2.576
   97    HD3  PRO  38           3HD      PRO  38   0.289  -6.833   4.109
   98    H    PHE  39           H        PHE  39   0.878  -9.748   1.178
   99    HA   PHE  39           HA       PHE  39  -0.183 -12.293   0.366
  100    HD1  PHE  39           HD2      PHE  39   1.283  -8.390  -0.161
  101    HD2  PHE  39           HD1      PHE  39  -2.244 -10.457  -1.512
  102    HE1  PHE  39           HE2      PHE  39  -0.108  -6.406   0.345
  103    HE2  PHE  39           HE1      PHE  39  -3.568  -8.353  -1.272
  104    HZ   PHE  39           HZ       PHE  39  -2.511  -6.336  -0.330
  105    HB2  PHE  39           2HB      PHE  39   1.372 -10.503  -1.494
  106    HB3  PHE  39           3HB      PHE  39  -0.073 -11.436  -1.799
  107    HA   PRO  40           HA       PRO  40   3.792 -14.054  -0.675
  108    HB2  PRO  40           2HB      PRO  40   3.128 -16.052  -2.475
  109    HB3  PRO  40           3HB      PRO  40   2.649 -16.153  -0.753
  110    HG2  PRO  40           2HG      PRO  40   0.989 -15.110  -3.078
  111    HG3  PRO  40           3HG      PRO  40   0.515 -16.322  -1.846
  112    HD2  PRO  40           2HD      PRO  40  -0.121 -13.659  -1.671
  113    HD3  PRO  40           3HD      PRO  40   0.208 -14.656  -0.224
  114    H    LEU  41           H        LEU  41   4.966 -14.716  -2.919
  115    HA   LEU  41           HA       LEU  41   5.570 -12.365  -4.324
  116    HG   LEU  41           HG       LEU  41   7.975 -13.056  -4.502
  117    HB2  LEU  41           2HB      LEU  41   5.968 -15.319  -4.896
  118    HB3  LEU  41           3HB      LEU  41   6.452 -14.110  -6.072
  119   HD11  LEU  41          1HD1      LEU  41   8.621 -14.195  -2.388
  120   HD12  LEU  41          2HD1      LEU  41   6.984 -13.549  -2.311
  121   HD13  LEU  41          3HD1      LEU  41   7.238 -15.293  -2.567
  122   HD21  LEU  41          3HD2      LEU  41   9.653 -14.843  -4.448
  123   HD22  LEU  41          1HD2      LEU  41   8.385 -16.062  -4.709
  124   HD23  LEU  41          2HD2      LEU  41   8.759 -14.865  -5.969
  125    H    ASP  42           H        ASP  42   2.908 -14.490  -4.902
  126    HA   ASP  42           HA       ASP  42   2.237 -13.942  -7.570
  127    HB2  ASP  42           2HB      ASP  42   0.357 -14.467  -5.245
  128    HB3  ASP  42           3HB      ASP  42   0.034 -14.748  -6.949
  129    H    VAL  43           H        VAL  43   1.857 -11.686  -4.824
  130    HA   VAL  43           HA       VAL  43  -0.273 -10.156  -6.099
  131    HB   VAL  43           HB       VAL  43   0.174 -10.037  -3.675
  132   HG11  VAL  43          1HG1      VAL  43   1.876  -8.525  -2.797
  133   HG12  VAL  43          2HG1      VAL  43   2.663  -9.772  -3.795
  134   HG13  VAL  43          3HG1      VAL  43   2.429  -8.136  -4.439
  135   HG21  VAL  43          3HG2      VAL  43  -1.258  -8.375  -4.843
  136   HG22  VAL  43          1HG2      VAL  43  -0.433  -7.693  -3.437
  137   HG23  VAL  43          2HG2      VAL  43   0.140  -7.311  -5.065
  138    H    GLN  44           H        GLN  44  -0.169  -8.227  -7.233
  139    HA   GLN  44           HA       GLN  44   2.421  -7.285  -8.339
  140    HB2  GLN  44           2HB      GLN  44   0.146  -8.409 -10.035
  141    HB3  GLN  44           3HB      GLN  44   1.550  -7.603 -10.687
  142    HG2  GLN  44           2HG      GLN  44   2.968  -9.394 -10.373
  143    HG3  GLN  44           3HG      GLN  44   2.004 -10.109  -9.087
  144   HE21  GLN  44          2HE2      GLN  44  -0.227 -10.815  -9.660
  145   HE22  GLN  44          1HE2      GLN  44  -0.388 -11.687 -11.195
  146    H    GLU  45           H        GLU  45   2.006  -5.523  -9.922
  147    HA   GLU  45           HA       GLU  45   0.447  -3.366  -9.049
  148    HB2  GLU  45           2HB      GLU  45   2.292  -3.261 -10.695
  149    HB3  GLU  45           3HB      GLU  45   1.363  -4.235 -11.829
  150    HG2  GLU  45           2HG      GLU  45   1.318  -1.998 -12.592
  151    HG3  GLU  45           3HG      GLU  45  -0.302  -2.393 -12.037
  152    H    SER  46           H        SER  46  -0.647  -6.121 -11.129
  153    HA   SER  46           HA       SER  46  -3.154  -4.927 -11.827
  154    HG   SER  46           HG       SER  46  -2.300  -8.570 -11.115
  155    HB2  SER  46           2HB      SER  46  -3.767  -7.416 -12.242
  156    HB3  SER  46           3HB      SER  46  -2.470  -6.674 -13.190
  157    H    GLU  47           H        GLU  47  -2.174  -6.647  -8.817
  158    HA   GLU  47           HA       GLU  47  -4.948  -7.208  -7.986
  159    HB2  GLU  47           2HB      GLU  47  -2.095  -7.724  -7.022
  160    HB3  GLU  47           3HB      GLU  47  -3.434  -7.917  -5.953
  161    HG2  GLU  47           2HG      GLU  47  -3.144 -10.035  -6.790
  162    HG3  GLU  47           3HG      GLU  47  -4.488  -9.463  -7.784
  163    H    LEU  48           H        LEU  48  -2.140  -5.154  -7.344
  164    HA   LEU  48           HA       LEU  48  -3.313  -3.515  -5.296
  165    HG   LEU  48           HG       LEU  48  -0.790  -4.951  -5.622
  166    HB2  LEU  48           2HB      LEU  48  -1.173  -2.982  -7.388
  167    HB3  LEU  48           3HB      LEU  48  -1.480  -2.004  -6.036
  168   HD11  LEU  48          1HD1      LEU  48   1.210  -2.690  -5.736
  169   HD12  LEU  48          2HD1      LEU  48   1.504  -4.428  -5.473
  170   HD13  LEU  48          3HD1      LEU  48   0.929  -3.857  -7.043
  171   HD21  LEU  48          3HD2      LEU  48  -1.555  -3.767  -3.700
  172   HD22  LEU  48          1HD2      LEU  48   0.177  -4.068  -3.588
  173   HD23  LEU  48          2HD2      LEU  48  -0.395  -2.414  -4.028
  174    H    ASN  49           H        ASN  49  -3.312  -3.434  -8.881
  175    HA   ASN  49           HA       ASN  49  -4.905  -1.020  -9.091
  176    HB2  ASN  49           2HB      ASN  49  -4.275  -3.244 -10.987
  177    HB3  ASN  49           3HB      ASN  49  -5.744  -2.341 -11.302
  178   HD21  ASN  49          2HD2      ASN  49  -2.269  -1.800 -10.602
  179   HD22  ASN  49          1HD2      ASN  49  -2.161  -0.391 -11.640
  180    H    GLU  50           H        GLU  50  -5.995  -4.441  -8.822
  181    HA   GLU  50           HA       GLU  50  -8.801  -3.919  -8.832
  182    HB2  GLU  50           2HB      GLU  50  -7.050  -6.014  -7.577
  183    HB3  GLU  50           3HB      GLU  50  -8.773  -5.984  -7.215
  184    HG2  GLU  50           2HG      GLU  50  -9.261  -6.115  -9.659
  185    HG3  GLU  50           3HG      GLU  50  -7.533  -6.188 -10.003
  186    H    ILE  51           H        ILE  51  -6.501  -3.796  -6.104
  187    HA   ILE  51           HA       ILE  51  -8.605  -3.260  -4.140
  188    HB   ILE  51           HB       ILE  51  -5.612  -3.465  -4.112
  189   HG12  ILE  51          2HG1      ILE  51  -7.650  -5.317  -2.813
  190   HG13  ILE  51          3HG1      ILE  51  -7.026  -5.547  -4.441
  191   HG21  ILE  51          1HG2      ILE  51  -7.442  -3.014  -1.709
  192   HG22  ILE  51          2HG2      ILE  51  -5.725  -3.463  -1.587
  193   HG23  ILE  51          3HG2      ILE  51  -6.170  -1.907  -2.271
  194   HD11  ILE  51          3HD1      ILE  51  -5.726  -6.961  -3.064
  195   HD12  ILE  51          1HD1      ILE  51  -4.675  -5.601  -3.473
  196   HD13  ILE  51          2HD1      ILE  51  -5.428  -5.689  -1.868
  197    H    PHE  52           H        PHE  52  -6.034  -1.297  -5.648
  198    HA   PHE  52           HA       PHE  52  -6.579   1.040  -3.983
  199    HD1  PHE  52           HD2      PHE  52  -4.373  -1.706  -4.258
  200    HD2  PHE  52           HD1      PHE  52  -3.583   2.354  -3.078
  201    HE1  PHE  52           HE2      PHE  52  -2.806  -2.525  -2.560
  202    HE2  PHE  52           HE1      PHE  52  -1.862   1.519  -1.532
  203    HZ   PHE  52           HZ       PHE  52  -1.322  -0.896  -1.436
  204    HB2  PHE  52           2HB      PHE  52  -4.450   0.440  -5.939
  205    HB3  PHE  52           3HB      PHE  52  -4.631   1.969  -5.118
  206    H    GLY  53           H        GLY  53  -7.107  -0.051  -7.295
  207    HA2  GLY  53           2HA      GLY  53  -7.489   2.246  -8.795
  208    HA3  GLY  53           3HA      GLY  53  -8.449   0.773  -8.929
  209    HA   PRO  54           HA       PRO  54 -11.979   2.777  -6.917
  210    HB2  PRO  54           2HB      PRO  54 -11.434   1.980  -4.080
  211    HB3  PRO  54           3HB      PRO  54 -12.929   1.776  -5.037
  212    HG2  PRO  54           2HG      PRO  54 -11.319  -0.344  -4.537
  213    HG3  PRO  54           3HG      PRO  54 -11.998  -0.119  -6.189
  214    HD2  PRO  54           2HD      PRO  54  -9.313   0.795  -5.135
  215    HD3  PRO  54           3HD      PRO  54  -9.590  -0.244  -6.549
  216    H    PHE  55           H        PHE  55  -8.909   3.371  -5.222
  217    HA   PHE  55           HA       PHE  55  -9.833   5.729  -3.789
  218    HD1  PHE  55           HD1      PHE  55  -9.841   3.641  -2.627
  219    HD2  PHE  55           HD2      PHE  55  -5.556   3.689  -3.026
  220    HE1  PHE  55           HE1      PHE  55  -9.723   1.437  -1.513
  221    HE2  PHE  55           HE2      PHE  55  -5.438   1.629  -1.560
  222    HZ   PHE  55           HZ       PHE  55  -7.538   0.465  -0.939
  223    HB2  PHE  55           2HB      PHE  55  -6.946   5.014  -4.378
  224    HB3  PHE  55           3HB      PHE  55  -7.572   5.964  -3.075
  225    H    GLY  56           H        GLY  56  -7.908   4.984  -6.617
  226    HA2  GLY  56           2HA      GLY  56  -8.093   6.183  -8.612
  227    HA3  GLY  56           3HA      GLY  56  -8.327   7.684  -7.715
  228    HA   PRO  57           HA       PRO  57  -4.106   8.636  -8.383
  229    HB2  PRO  57           2HB      PRO  57  -3.914   9.668  -5.542
  230    HB3  PRO  57           3HB      PRO  57  -3.466  10.476  -7.083
  231    HG2  PRO  57           2HG      PRO  57  -5.795  11.097  -5.930
  232    HG3  PRO  57           3HG      PRO  57  -5.799  10.713  -7.677
  233    HD2  PRO  57           2HD      PRO  57  -6.372   8.807  -5.365
  234    HD3  PRO  57           3HD      PRO  57  -7.412   9.209  -6.762
  235    H    MET  58           H        MET  58  -4.078   5.885  -7.663
  236    HA   MET  58           HA       MET  58  -1.770   5.162  -6.007
  237    HB2  MET  58           2HB      MET  58  -1.841   3.085  -7.095
  238    HB3  MET  58           3HB      MET  58  -3.363   3.517  -6.291
  239    HG2  MET  58           2HG      MET  58  -4.330   4.152  -8.476
  240    HG3  MET  58           3HG      MET  58  -2.848   3.637  -9.279
  241    HE1  MET  58           3HE      MET  58  -2.650   1.040  -6.877
  242    HE2  MET  58           1HE      MET  58  -3.001  -0.252  -8.042
  243    HE3  MET  58           2HE      MET  58  -1.878   1.048  -8.489
  244    H    LYS  59           H        LYS  59  -0.644   6.996  -6.748
  245    HA   LYS  59           HA       LYS  59   0.338   7.437  -9.274
  246    HB2  LYS  59           2HB      LYS  59  -0.146   8.897  -7.288
  247    HB3  LYS  59           3HB      LYS  59   1.286   8.241  -6.502
  248    HG2  LYS  59           2HG      LYS  59   1.531   9.700  -9.110
  249    HG3  LYS  59           3HG      LYS  59   1.156  10.545  -7.627
  250    HD2  LYS  59           2HD      LYS  59   3.671   9.028  -8.234
  251    HD3  LYS  59           3HD      LYS  59   3.363  10.730  -7.876
  252    HE2  LYS  59           2HE      LYS  59   2.937  10.309  -5.569
  253    HE3  LYS  59           3HE      LYS  59   3.183   8.557  -5.813
  254    HZ1  LYS  59           3HZ      LYS  59   5.229  10.679  -6.172
  255    HZ2  LYS  59           1HZ      LYS  59   5.267   9.464  -5.070
  256    HZ3  LYS  59           2HZ      LYS  59   5.455   9.137  -6.654
  257    H    GLU  60           H        GLU  60   1.854   5.609  -6.610
  258    HA   GLU  60           HA       GLU  60   3.740   4.459  -8.481
  259    HB2  GLU  60           2HB      GLU  60   4.607   6.595  -6.616
  260    HB3  GLU  60           3HB      GLU  60   5.493   5.093  -6.351
  261    HG2  GLU  60           2HG      GLU  60   6.282   5.022  -8.606
  262    HG3  GLU  60           3HG      GLU  60   5.190   6.300  -9.128
  263    H    VAL  61           H        VAL  61   4.906   2.741  -7.874
  264    HA   VAL  61           HA       VAL  61   3.678   1.094  -5.734
  265    HB   VAL  61           HB       VAL  61   3.396   0.291  -8.667
  266   HG11  VAL  61          1HG1      VAL  61   1.576  -0.424  -6.371
  267   HG12  VAL  61          2HG1      VAL  61   1.820  -1.260  -7.905
  268   HG13  VAL  61          3HG1      VAL  61   3.091  -1.303  -6.661
  269   HG21  VAL  61          3HG2      VAL  61   2.105   2.295  -8.755
  270   HG22  VAL  61          1HG2      VAL  61   0.989   0.950  -8.627
  271   HG23  VAL  61          2HG2      VAL  61   1.298   1.930  -7.214
  272    H    LYS  62           H        LYS  62   5.722   0.809  -4.873
  273    HA   LYS  62           HA       LYS  62   7.747  -0.602  -6.500
  274    HB2  LYS  62           2HB      LYS  62   7.516  -0.689  -3.484
  275    HB3  LYS  62           3HB      LYS  62   8.910  -1.017  -4.511
  276    HG2  LYS  62           2HG      LYS  62   8.786   1.498  -5.157
  277    HG3  LYS  62           3HG      LYS  62   7.707   1.656  -3.769
  278    HD2  LYS  62           2HD      LYS  62  10.659   1.132  -3.869
  279    HD3  LYS  62           3HD      LYS  62   9.731   2.173  -2.794
  280    HE2  LYS  62           2HE      LYS  62   8.864  -0.026  -1.714
  281    HE3  LYS  62           3HE      LYS  62  10.119  -0.848  -2.656
  282    HZ1  LYS  62           3HZ      LYS  62  10.584   1.307  -0.670
  283    HZ2  LYS  62           1HZ      LYS  62  10.908  -0.294  -0.427
  284    HZ3  LYS  62           2HZ      LYS  62  11.750   0.624  -1.507
  285    H    ILE  63           H        ILE  63   7.883  -2.742  -6.633
  286    HA   ILE  63           HA       ILE  63   5.986  -4.536  -5.209
  287    HB   ILE  63           HB       ILE  63   6.821  -4.920  -8.114
  288   HG12  ILE  63          2HG1      ILE  63   5.311  -2.967  -8.079
  289   HG13  ILE  63          3HG1      ILE  63   4.755  -4.333  -9.020
  290   HG21  ILE  63          1HG2      ILE  63   4.992  -6.644  -8.152
  291   HG22  ILE  63          2HG2      ILE  63   6.319  -7.029  -7.059
  292   HG23  ILE  63          3HG2      ILE  63   4.797  -6.406  -6.400
  293   HD11  ILE  63          3HD1      ILE  63   2.910  -3.326  -7.840
  294   HD12  ILE  63          1HD1      ILE  63   3.146  -4.957  -7.239
  295   HD13  ILE  63          2HD1      ILE  63   3.694  -3.578  -6.257
  296    H    LEU  64           H        LEU  64   6.881  -6.095  -4.259
  297    HA   LEU  64           HA       LEU  64   9.686  -7.013  -4.787
  298    HG   LEU  64           HG       LEU  64   9.900  -4.630  -1.748
  299    HB2  LEU  64           2HB      LEU  64   8.502  -6.461  -2.122
  300    HB3  LEU  64           3HB      LEU  64  10.134  -6.873  -2.474
  301   HD11  LEU  64          1HD1      LEU  64  11.335  -3.549  -3.354
  302   HD12  LEU  64          2HD1      LEU  64  11.771  -5.261  -3.161
  303   HD13  LEU  64          3HD1      LEU  64  10.846  -4.731  -4.593
  304   HD21  LEU  64          3HD2      LEU  64   7.723  -3.999  -2.877
  305   HD22  LEU  64          1HD2      LEU  64   9.035  -2.813  -2.638
  306   HD23  LEU  64          2HD2      LEU  64   8.805  -3.501  -4.222
  307    H    ASN  65           H        ASN  65  10.120  -8.968  -3.471
  308    HA   ASN  65           HA       ASN  65   8.491 -11.196  -3.559
  309    HB2  ASN  65           2HB      ASN  65   9.776 -11.716  -1.298
  310    HB3  ASN  65           3HB      ASN  65  10.584 -11.743  -2.860
  311   HD21  ASN  65          2HD2      ASN  65   9.706  -9.308  -0.346
  312   HD22  ASN  65          1HD2      ASN  65  11.303  -8.546  -0.311
  313    H    GLY  66           H        GLY  66   6.295 -10.956  -3.073
  314    HA2  GLY  66           2HA      GLY  66   4.482 -11.213  -1.613
  315    HA3  GLY  66           3HA      GLY  66   5.640 -11.224  -0.281
  316    H    PHE  67           H        PHE  67   6.386  -8.420  -1.819
  317    HA   PHE  67           HA       PHE  67   4.552  -6.855  -0.020
  318    HD1  PHE  67           HD1      PHE  67   5.317  -8.332   1.705
  319    HD2  PHE  67           HD2      PHE  67   9.195  -6.570   1.072
  320    HE1  PHE  67           HE1      PHE  67   6.209  -9.678   3.556
  321    HE2  PHE  67           HE2      PHE  67  10.126  -7.998   2.869
  322    HZ   PHE  67           HZ       PHE  67   8.643  -9.553   4.125
  323    HB2  PHE  67           2HB      PHE  67   7.432  -6.169  -0.473
  324    HB3  PHE  67           3HB      PHE  67   6.366  -5.474   0.656
  325    H    ALA  68           H        ALA  68   3.916  -4.924  -0.559
  326    HA   ALA  68           HA       ALA  68   4.715  -3.587  -3.124
  327    HB1  ALA  68           1HB      ALA  68   2.560  -4.759  -3.389
  328    HB2  ALA  68           2HB      ALA  68   1.930  -3.870  -1.986
  329    HB3  ALA  68           3HB      ALA  68   2.416  -2.985  -3.446
  330    H    PHE  69           H        PHE  69   5.145  -1.545  -2.857
  331    HA   PHE  69           HA       PHE  69   4.246  -0.163  -0.388
  332    HD1  PHE  69           HD1      PHE  69   7.278  -2.175  -1.553
  333    HD2  PHE  69           HD2      PHE  69   6.791   0.244   1.948
  334    HE1  PHE  69           HE1      PHE  69   8.320  -3.988  -0.223
  335    HE2  PHE  69           HE2      PHE  69   7.822  -1.574   3.321
  336    HZ   PHE  69           HZ       PHE  69   8.540  -3.710   2.233
  337    HB2  PHE  69           2HB      PHE  69   6.957   0.403  -1.606
  338    HB3  PHE  69           3HB      PHE  69   6.257   1.133  -0.182
  339    H    VAL  70           H        VAL  70   2.572   0.585  -1.371
  340    HA   VAL  70           HA       VAL  70   2.750   1.971  -3.961
  341    HB   VAL  70           HB       VAL  70   0.273   1.712  -2.252
  342   HG11  VAL  70          1HG1      VAL  70   0.089   3.017  -4.439
  343   HG12  VAL  70          2HG1      VAL  70   0.620   1.485  -5.234
  344   HG13  VAL  70          3HG1      VAL  70  -0.899   1.517  -4.355
  345   HG21  VAL  70          3HG2      VAL  70  -0.223  -0.300  -3.704
  346   HG22  VAL  70          1HG2      VAL  70   1.494  -0.217  -4.206
  347   HG23  VAL  70          2HG2      VAL  70   1.044  -0.567  -2.481
  348    H    GLU  71           H        GLU  71   2.035   4.148  -4.184
  349    HA   GLU  71           HA       GLU  71   2.469   5.935  -1.839
  350    HB2  GLU  71           2HB      GLU  71   4.687   5.225  -2.918
  351    HB3  GLU  71           3HB      GLU  71   4.129   6.002  -4.404
  352    HG2  GLU  71           2HG      GLU  71   3.868   8.152  -3.220
  353    HG3  GLU  71           3HG      GLU  71   4.382   7.394  -1.709
  354    H    PHE  72           H        PHE  72   1.563   7.944  -2.186
  355    HA   PHE  72           HA       PHE  72   0.228   8.483  -4.823
  356    HD1  PHE  72           HD1      PHE  72  -1.342   6.519  -4.615
  357    HD2  PHE  72           HD2      PHE  72  -1.958   7.974  -0.635
  358    HE1  PHE  72           HE1      PHE  72  -2.754   4.528  -4.124
  359    HE2  PHE  72           HE2      PHE  72  -3.380   5.988  -0.155
  360    HZ   PHE  72           HZ       PHE  72  -3.795   4.294  -1.874
  361    HB2  PHE  72           2HB      PHE  72  -0.854   9.331  -2.132
  362    HB3  PHE  72           3HB      PHE  72  -1.666   9.270  -3.672
  363    H    GLU  73           H        GLU  73  -0.374  10.663  -5.231
  364    HA   GLU  73           HA       GLU  73   1.712  12.582  -4.365
  365    HB2  GLU  73           2HB      GLU  73   0.892  14.002  -6.168
  366    HB3  GLU  73           3HB      GLU  73   1.447  12.421  -6.687
  367    HG2  GLU  73           2HG      GLU  73  -1.001  11.673  -6.756
  368    HG3  GLU  73           3HG      GLU  73  -1.459  13.324  -6.345
  369    H    GLU  74           H        GLU  74  -1.393  11.676  -3.353
  370    HA   GLU  74           HA       GLU  74  -1.779  14.268  -1.942
  371    HB2  GLU  74           2HB      GLU  74  -4.208  13.933  -2.012
  372    HB3  GLU  74           3HB      GLU  74  -3.489  14.326  -3.566
  373    HG2  GLU  74           2HG      GLU  74  -3.854  12.138  -4.425
  374    HG3  GLU  74           3HG      GLU  74  -4.136  11.468  -2.829
  375    H    ALA  75           H        ALA  75  -1.778  14.134   0.170
  376    HA   ALA  75           HA       ALA  75  -1.712  11.713   1.686
  377    HB1  ALA  75           1HB      ALA  75  -1.993  13.212   3.606
  378    HB2  ALA  75           2HB      ALA  75  -0.818  13.886   2.463
  379    HB3  ALA  75           3HB      ALA  75  -2.473  14.542   2.531
  380    H    GLU  76           H        GLU  76  -4.407  13.589   0.421
  381    HA   GLU  76           HA       GLU  76  -6.507  12.410   1.986
  382    HB2  GLU  76           2HB      GLU  76  -6.646  13.425  -0.871
  383    HB3  GLU  76           3HB      GLU  76  -7.995  13.206   0.238
  384    HG2  GLU  76           2HG      GLU  76  -5.747  15.248   0.411
  385    HG3  GLU  76           3HG      GLU  76  -7.456  15.556   0.125
  386    H    SER  77           H        SER  77  -4.681  11.140  -0.803
  387    HA   SER  77           HA       SER  77  -6.519   8.869  -1.049
  388    HG   SER  77           HG       SER  77  -4.350   6.996  -2.488
  389    HB2  SER  77           2HB      SER  77  -5.184   9.554  -2.998
  390    HB3  SER  77           3HB      SER  77  -3.719   9.061  -2.179
  391    H    ALA  78           H        ALA  78  -3.551   9.552   0.764
  392    HA   ALA  78           HA       ALA  78  -3.411   6.835   1.758
  393    HB1  ALA  78           1HB      ALA  78  -1.546   8.187   1.824
  394    HB2  ALA  78           2HB      ALA  78  -2.333   9.452   2.794
  395    HB3  ALA  78           3HB      ALA  78  -1.986   7.842   3.508
  396    H    ALA  79           H        ALA  79  -4.993   9.791   3.133
  397    HA   ALA  79           HA       ALA  79  -6.313   8.600   5.308
  398    HB1  ALA  79           1HB      ALA  79  -7.394  10.738   3.435
  399    HB2  ALA  79           2HB      ALA  79  -7.919  10.412   5.093
  400    HB3  ALA  79           3HB      ALA  79  -6.278  11.014   4.790
  401    H    LYS  80           H        LYS  80  -7.626   8.797   1.922
  402    HA   LYS  80           HA       LYS  80  -9.860   7.198   2.702
  403    HB2  LYS  80           2HB      LYS  80 -10.723   7.540   0.628
  404    HB3  LYS  80           3HB      LYS  80  -9.555   8.854   0.663
  405    HG2  LYS  80           2HG      LYS  80  -7.997   7.243  -0.652
  406    HG3  LYS  80           3HG      LYS  80  -9.392   6.202  -0.811
  407    HD2  LYS  80           2HD      LYS  80  -9.843   7.451  -2.699
  408    HD3  LYS  80           3HD      LYS  80 -10.493   8.648  -1.593
  409    HE2  LYS  80           2HE      LYS  80  -8.284   9.769  -1.506
  410    HE3  LYS  80           3HE      LYS  80  -7.604   8.504  -2.552
  411    HZ1  LYS  80           3HZ      LYS  80  -9.690  10.403  -3.424
  412    HZ2  LYS  80           1HZ      LYS  80  -8.082  10.517  -3.739
  413    HZ3  LYS  80           2HZ      LYS  80  -8.959   9.245  -4.341
  414    H    ALA  81           H        ALA  81  -6.821   6.275   1.178
  415    HA   ALA  81           HA       ALA  81  -7.432   3.571   0.607
  416    HB1  ALA  81           1HB      ALA  81  -4.757   4.754   1.389
  417    HB2  ALA  81           2HB      ALA  81  -5.041   3.198   0.577
  418    HB3  ALA  81           3HB      ALA  81  -5.467   4.695  -0.239
  419    H    ILE  82           H        ILE  82  -6.114   5.173   3.584
  420    HA   ILE  82           HA       ILE  82  -5.860   2.942   5.228
  421    HB   ILE  82           HB       ILE  82  -6.608   5.774   5.947
  422   HG12  ILE  82          2HG1      ILE  82  -3.971   4.561   6.722
  423   HG13  ILE  82          3HG1      ILE  82  -4.164   4.995   5.048
  424   HG21  ILE  82          1HG2      ILE  82  -5.770   3.614   7.919
  425   HG22  ILE  82          2HG2      ILE  82  -6.010   5.325   8.287
  426   HG23  ILE  82          3HG2      ILE  82  -7.385   4.349   7.805
  427   HD11  ILE  82          3HD1      ILE  82  -4.486   6.833   7.454
  428   HD12  ILE  82          1HD1      ILE  82  -3.237   6.905   6.178
  429   HD13  ILE  82          2HD1      ILE  82  -4.934   7.266   5.806
  430    H    GLU  83           H        GLU  83  -8.673   5.172   5.051
  431    HA   GLU  83           HA       GLU  83 -10.332   3.532   6.699
  432    HB2  GLU  83           2HB      GLU  83 -11.032   5.645   4.642
  433    HB3  GLU  83           3HB      GLU  83 -12.190   4.927   5.775
  434    HG2  GLU  83           2HG      GLU  83  -9.685   6.500   6.553
  435    HG3  GLU  83           3HG      GLU  83 -11.338   7.095   6.570
  436    H    GLU  84           H        GLU  84  -9.573   3.180   3.318
  437    HA   GLU  84           HA       GLU  84 -11.851   1.444   2.646
  438    HB2  GLU  84           2HB      GLU  84  -9.262   2.200   1.246
  439    HB3  GLU  84           3HB      GLU  84 -10.369   1.016   0.588
  440    HG2  GLU  84           2HG      GLU  84 -11.409   3.761   1.267
  441    HG3  GLU  84           3HG      GLU  84 -10.453   3.536  -0.192
  442    H    VAL  85           H        VAL  85  -8.374   0.936   3.413
  443    HA   VAL  85           HA       VAL  85  -8.877  -1.991   3.694
  444    HB   VAL  85           HB       VAL  85  -8.553  -1.555   1.369
  445   HG11  VAL  85          1HG1      VAL  85  -6.287  -0.850   0.500
  446   HG12  VAL  85          2HG1      VAL  85  -7.292   0.415   1.228
  447   HG13  VAL  85          3HG1      VAL  85  -5.947  -0.257   2.135
  448   HG21  VAL  85          3HG2      VAL  85  -6.059  -2.941   2.330
  449   HG22  VAL  85          1HG2      VAL  85  -7.677  -3.683   2.343
  450   HG23  VAL  85          2HG2      VAL  85  -6.933  -3.185   0.816
  451    H    HIS  86           H        HIS  86  -7.138   0.634   5.065
  452    HA   HIS  86           HA       HIS  86  -4.926  -0.937   6.125
  453    HD1  HIS  86           HD1      HIS  86  -2.715   1.809   7.168
  454    HD2  HIS  86           HD2      HIS  86  -5.388  -0.043   9.820
  455    HE1  HIS  86           HE1      HIS  86  -1.386   1.328   9.301
  456    HB2  HIS  86           2HB      HIS  86  -5.042   1.529   6.217
  457    HB3  HIS  86           3HB      HIS  86  -6.309   1.424   7.444
  458    H    GLY  87           H        GLY  87  -5.158  -2.731   7.366
  459    HA2  GLY  87           2HA      GLY  87  -5.363  -3.516   9.626
  460    HA3  GLY  87           3HA      GLY  87  -6.754  -2.459   9.883
  461    H    LYS  88           H        LYS  88  -7.197  -3.636   6.907
  462    HA   LYS  88           HA       LYS  88  -9.149  -5.743   7.540
  463    HB2  LYS  88           2HB      LYS  88  -8.105  -4.309   5.049
  464    HB3  LYS  88           3HB      LYS  88  -9.152  -5.644   4.967
  465    HG2  LYS  88           2HG      LYS  88 -10.449  -3.636   4.712
  466    HG3  LYS  88           3HG      LYS  88 -10.931  -4.395   6.225
  467    HD2  LYS  88           2HD      LYS  88  -9.848  -2.733   7.541
  468    HD3  LYS  88           3HD      LYS  88  -8.811  -2.247   6.203
  469    HE2  LYS  88           2HE      LYS  88 -10.872  -1.412   5.012
  470    HE3  LYS  88           3HE      LYS  88 -11.758  -1.650   6.519
  471    HZ1  LYS  88           3HZ      LYS  88 -10.938   0.628   6.319
  472    HZ2  LYS  88           1HZ      LYS  88 -10.180  -0.098   7.587
  473    HZ3  LYS  88           2HZ      LYS  88  -9.388   0.138   6.186
  474    H    SER  89           H        SER  89  -8.786  -7.864   7.016
  475    HA   SER  89           HA       SER  89  -5.964  -8.706   7.018
  476    HG   SER  89           HG       SER  89  -8.934 -10.592   6.556
  477    HB2  SER  89           2HB      SER  89  -6.877 -10.894   7.663
  478    HB3  SER  89           3HB      SER  89  -7.399  -9.578   8.722
  479    H    PHE  90           H        PHE  90  -5.013  -8.766   4.957
  480    HA   PHE  90           HA       PHE  90  -6.467 -10.374   2.861
  481    HD1  PHE  90           HD1      PHE  90  -3.847 -10.856   0.748
  482    HD2  PHE  90           HD2      PHE  90  -6.730  -7.655   0.618
  483    HE1  PHE  90           HE1      PHE  90  -4.546 -11.573  -1.524
  484    HE2  PHE  90           HE2      PHE  90  -7.310  -8.269  -1.704
  485    HZ   PHE  90           HZ       PHE  90  -6.293 -10.293  -2.729
  486    HB2  PHE  90           2HB      PHE  90  -5.636  -8.059   2.523
  487    HB3  PHE  90           3HB      PHE  90  -4.003  -8.627   2.574
  488    H    ALA  91           H        ALA  91  -5.567 -12.233   2.033
  489    HA   ALA  91           HA       ALA  91  -4.536 -14.207   1.944
  490    HB1  ALA  91           1HB      ALA  91  -2.055 -14.103   1.719
  491    HB2  ALA  91           2HB      ALA  91  -2.937 -12.921   0.742
  492    HB3  ALA  91           3HB      ALA  91  -2.123 -12.407   2.243
  493    H    ASN  92           H        ASN  92  -2.768 -12.691   4.699
  494    HA   ASN  92           HA       ASN  92  -3.481 -14.981   6.395
  495    HB2  ASN  92           2HB      ASN  92  -1.374 -15.766   6.851
  496    HB3  ASN  92           3HB      ASN  92  -1.196 -15.402   5.147
  497   HD21  ASN  92          2HD2      ASN  92   0.197 -13.439   4.574
  498   HD22  ASN  92          1HD2      ASN  92   1.331 -12.930   5.789
  499    H    GLN  93           H        GLN  93  -2.968 -11.597   6.097
  500    HA   GLN  93           HA       GLN  93  -3.283 -11.035   8.943
  501    HB2  GLN  93           2HB      GLN  93  -1.057 -10.079   9.305
  502    HB3  GLN  93           3HB      GLN  93  -0.919 -11.774   8.911
  503    HG2  GLN  93           2HG      GLN  93  -0.361 -11.110   6.546
  504    HG3  GLN  93           3HG      GLN  93  -0.449  -9.421   7.059
  505   HE21  GLN  93          1HE2      GLN  93   1.254 -12.488   7.973
  506   HE22  GLN  93          2HE2      GLN  93   2.790 -11.658   8.213
  507    HA   PRO  94           HA       PRO  94  -4.490  -7.287   7.178
  508    HB2  PRO  94           2HB      PRO  94  -4.047  -5.310   9.101
  509    HB3  PRO  94           3HB      PRO  94  -5.302  -6.583   9.241
  510    HG2  PRO  94           2HG      PRO  94  -2.470  -6.641  10.354
  511    HG3  PRO  94           3HG      PRO  94  -4.005  -6.959  11.234
  512    HD2  PRO  94           2HD      PRO  94  -2.509  -8.959  10.287
  513    HD3  PRO  94           3HD      PRO  94  -4.285  -9.023  10.082
  514    H    LEU  95           H        LEU  95  -4.197  -5.560   6.090
  515    HA   LEU  95           HA       LEU  95  -1.622  -4.788   5.036
  516    HG   LEU  95           HG       LEU  95  -4.174  -4.122   2.413
  517    HB2  LEU  95           2HB      LEU  95  -4.445  -3.630   4.939
  518    HB3  LEU  95           3HB      LEU  95  -3.120  -2.950   4.066
  519   HD11  LEU  95          1HD1      LEU  95  -1.896  -4.840   2.297
  520   HD12  LEU  95          2HD1      LEU  95  -2.228  -6.113   3.463
  521   HD13  LEU  95          3HD1      LEU  95  -2.978  -6.185   1.866
  522   HD21  LEU  95          3HD2      LEU  95  -5.349  -5.983   2.461
  523   HD22  LEU  95          1HD2      LEU  95  -4.718  -6.501   4.066
  524   HD23  LEU  95          2HD2      LEU  95  -5.823  -5.097   3.901
  525    H    GLU  96           H        GLU  96  -0.582  -2.816   5.164
  526    HA   GLU  96           HA       GLU  96  -1.178  -1.100   7.516
  527    HB2  GLU  96           2HB      GLU  96   0.580  -2.909   7.721
  528    HB3  GLU  96           3HB      GLU  96   1.592  -1.979   6.620
  529    HG2  GLU  96           2HG      GLU  96   1.572  -0.082   8.099
  530    HG3  GLU  96           3HG      GLU  96   0.380  -0.842   9.172
  531    H    VAL  97           H        VAL  97  -2.292  -0.465   5.400
  532    HA   VAL  97           HA       VAL  97  -0.996   1.057   3.349
  533    HB   VAL  97           HB       VAL  97  -3.777   0.859   4.548
  534   HG11  VAL  97          1HG1      VAL  97  -3.206   2.162   1.873
  535   HG12  VAL  97          2HG1      VAL  97  -4.783   1.739   2.509
  536   HG13  VAL  97          3HG1      VAL  97  -3.823   2.971   3.342
  537   HG21  VAL  97          3HG2      VAL  97  -4.192  -0.903   3.124
  538   HG22  VAL  97          1HG2      VAL  97  -3.242  -0.209   1.778
  539   HG23  VAL  97          2HG2      VAL  97  -2.446  -1.055   3.099
  540    H    VAL  98           H        VAL  98   0.179   3.083   4.136
  541    HA   VAL  98           HA       VAL  98  -1.362   4.808   5.951
  542    HB   VAL  98           HB       VAL  98  -0.398   2.562   7.003
  543   HG11  VAL  98          1HG1      VAL  98   2.118   3.976   7.660
  544   HG12  VAL  98          2HG1      VAL  98   1.576   2.343   7.962
  545   HG13  VAL  98          3HG1      VAL  98   1.957   2.794   6.312
  546   HG21  VAL  98          3HG2      VAL  98  -1.790   3.974   7.998
  547   HG22  VAL  98          1HG2      VAL  98  -0.479   3.563   9.132
  548   HG23  VAL  98          2HG2      VAL  98  -0.508   5.181   8.358
  549    H    TYR  99           H        TYR  99   1.403   5.449   7.070
  550    HA   TYR  99           HA       TYR  99   2.556   7.108   4.859
  551    HD1  TYR  99           HD1      TYR  99   0.432   8.183   5.197
  552    HD2  TYR  99           HD2      TYR  99   2.336   9.841   8.693
  553    HE1  TYR  99           HE1      TYR  99  -1.453   9.740   5.468
  554    HE2  TYR  99           HE2      TYR  99   0.456  11.464   8.925
  555    HH   TYR  99           HH       TYR  99  -2.326  11.494   6.668
  556    HB2  TYR  99           2HB      TYR  99   2.819   7.479   7.880
  557    HB3  TYR  99           3HB      TYR  99   3.573   8.464   6.641
  558    H    SER 100           H        SER 100   3.149   4.716   4.354
  559    HA   SER 100           HA       SER 100   4.220   2.905   5.727
  560    HG   SER 100           HG       SER 100   6.843   2.363   3.561
  561    HB2  SER 100           2HB      SER 100   4.018   2.367   3.548
  562    HB3  SER 100           3HB      SER 100   5.193   3.530   3.074
  563    H    LYS 101           H        LYS 101   5.839   2.235   6.941
  564    HA   LYS 101           HA       LYS 101   7.608   4.009   8.263
  565    HB2  LYS 101           2HB      LYS 101   7.300   0.982   8.285
  566    HB3  LYS 101           3HB      LYS 101   8.296   1.871   9.446
  567    HG2  LYS 101           2HG      LYS 101   6.403   3.084  10.317
  568    HG3  LYS 101           3HG      LYS 101   5.319   2.410   9.092
  569    HD2  LYS 101           2HD      LYS 101   5.666   0.152   9.948
  570    HD3  LYS 101           3HD      LYS 101   6.793   0.749  11.177
  571    HE2  LYS 101           2HE      LYS 101   5.065   1.985  12.305
  572    HE3  LYS 101           3HE      LYS 101   3.949   1.798  10.948
  573    HZ1  LYS 101           3HZ      LYS 101   3.414   0.240  12.732
  574    HZ2  LYS 101           1HZ      LYS 101   3.841  -0.538  11.349
  575    HZ3  LYS 101           2HZ      LYS 101   4.893  -0.466  12.615
  576    H    LEU 102           H        LEU 102   8.295   3.610   5.379
  577    HA   LEU 102           HA       LEU 102  11.187   3.685   5.672
  578    HG   LEU 102           HG       LEU 102  11.891   2.714   2.796
  579    HB2  LEU 102           2HB      LEU 102  10.769   1.271   5.236
  580    HB3  LEU 102           3HB      LEU 102   9.814   1.687   3.814
  581   HD11  LEU 102          1HD1      LEU 102  13.226   3.087   4.852
  582   HD12  LEU 102          2HD1      LEU 102  13.277   1.337   5.133
  583   HD13  LEU 102          3HD1      LEU 102  14.083   2.039   3.713
  584   HD21  LEU 102          3HD2      LEU 102  11.118   0.444   2.221
  585   HD22  LEU 102          1HD2      LEU 102  12.886   0.567   2.177
  586   HD23  LEU 102          2HD2      LEU 102  12.084  -0.223   3.558
  587    HA   PRO 103           HA       PRO 103   9.688   6.721   2.568
  588    HB2  PRO 103           2HB      PRO 103  11.609   8.613   2.789
  589    HB3  PRO 103           3HB      PRO 103  10.482   8.267   4.129
  590    HG2  PRO 103           2HG      PRO 103  13.289   7.157   3.750
  591    HG3  PRO 103           3HG      PRO 103  12.621   7.990   5.195
  592    HD2  PRO 103           2HD      PRO 103  12.665   5.266   4.959
  593    HD3  PRO 103           3HD      PRO 103  11.337   6.120   5.798
  594    H    ALA 104           H        ALA 104  11.582   4.314   1.931
  595    HA   ALA 104           HA       ALA 104  12.663   5.258  -0.665
  596    HB1  ALA 104           1HB      ALA 104  14.504   5.344   0.999
  597    HB2  ALA 104           2HB      ALA 104  14.206   3.635   1.402
  598    HB3  ALA 104           3HB      ALA 104  14.782   4.083  -0.211
  Start of MODEL    6
    1    H    GLU  28           H        GLU  28   8.307  13.961  12.063
    2    HA   GLU  28           HA       GLU  28   5.893  14.294  10.428
    3    HB2  GLU  28           2HB      GLU  28   7.258  14.944   8.610
    4    HB3  GLU  28           3HB      GLU  28   7.653  15.980   9.961
    5    HG2  GLU  28           2HG      GLU  28   9.355  13.571   9.154
    6    HG3  GLU  28           3HG      GLU  28   9.562  15.176   8.479
    7    H    LEU  29           H        LEU  29   6.183  13.043   8.278
    8    HA   LEU  29           HA       LEU  29   7.285  10.331   8.547
    9    HG   LEU  29           HG       LEU  29   4.096   8.551   9.307
   10    HB2  LEU  29           2HB      LEU  29   4.620  10.908   9.372
   11    HB3  LEU  29           3HB      LEU  29   4.423  10.332   7.747
   12   HD11  LEU  29          1HD1      LEU  29   5.354   7.972   7.187
   13   HD12  LEU  29          2HD1      LEU  29   6.840   7.997   8.149
   14   HD13  LEU  29          3HD1      LEU  29   5.529   6.837   8.515
   15   HD21  LEU  29          3HD2      LEU  29   5.767   7.717  10.839
   16   HD22  LEU  29          1HD2      LEU  29   6.919   8.970  10.336
   17   HD23  LEU  29          2HD2      LEU  29   5.427   9.425  11.185
   18    H    SER  30           H        SER  30   6.702   9.103   6.386
   19    HA   SER  30           HA       SER  30   7.173  10.752   4.055
   20    HG   SER  30           HG       SER  30   8.561   7.444   4.049
   21    HB2  SER  30           2HB      SER  30   6.298   7.854   4.157
   22    HB3  SER  30           3HB      SER  30   7.095   8.693   2.820
   23    H    ASN  31           H        ASN  31   4.403  10.306   5.763
   24    HA   ASN  31           HA       ASN  31   2.211  10.516   5.611
   25    HB2  ASN  31           2HB      ASN  31   2.551  12.649   3.571
   26    HB3  ASN  31           3HB      ASN  31   1.513  12.601   4.972
   27   HD21  ASN  31          1HD2      ASN  31   4.148  14.115   3.766
   28   HD22  ASN  31          2HD2      ASN  31   4.938  14.528   5.276
   29    H    THR  32           H        THR  32   3.299   9.202   2.668
   30    HA   THR  32           HA       THR  32   0.491   9.105   1.619
   31    HB   THR  32           HB       THR  32   1.241   9.780  -0.509
   32    HG1  THR  32           1HG      THR  32   3.300  10.033  -1.057
   33   HG21  THR  32          1HG2      THR  32   1.031  11.676   1.164
   34   HG22  THR  32          2HG2      THR  32   2.804  11.641   1.318
   35   HG23  THR  32          3HG2      THR  32   2.050  12.007  -0.243
   36    H    ARG  33           H        ARG  33   1.752   6.710   2.867
   37    HA   ARG  33           HA       ARG  33   2.394   5.114   0.424
   38    HE   ARG  33           HE       ARG  33   6.947   6.739  -0.495
   39    HB2  ARG  33           2HB      ARG  33   4.147   5.470   2.816
   40    HB3  ARG  33           3HB      ARG  33   4.254   4.048   1.727
   41    HG2  ARG  33           2HG      ARG  33   4.892   5.209  -0.046
   42    HG3  ARG  33           3HG      ARG  33   4.618   6.814   0.738
   43    HD2  ARG  33           2HD      ARG  33   6.515   6.529   2.131
   44    HD3  ARG  33           3HD      ARG  33   6.640   4.798   1.743
   45   HH11  ARG  33          1HH2      ARG  33   8.861   4.782   1.662
   46   HH12  ARG  33          2HH2      ARG  33   9.955   4.318   0.349
   47   HH21  ARG  33          2HH1      ARG  33   8.402   6.375  -1.889
   48   HH22  ARG  33          1HH1      ARG  33   9.850   5.415  -1.542
   49    H    LEU  34           H        LEU  34   1.718   3.234   0.318
   50    HA   LEU  34           HA       LEU  34   0.330   2.143   2.680
   51    HG   LEU  34           HG       LEU  34  -2.295   2.922   0.090
   52    HB2  LEU  34           2HB      LEU  34  -0.182   1.408  -0.135
   53    HB3  LEU  34           3HB      LEU  34  -1.263   1.223   1.195
   54   HD11  LEU  34          1HD1      LEU  34  -1.680   3.861   2.373
   55   HD12  LEU  34          2HD1      LEU  34  -0.512   4.885   1.518
   56   HD13  LEU  34          3HD1      LEU  34  -2.214   4.982   1.129
   57   HD21  LEU  34          3HD2      LEU  34  -1.184   3.398  -1.797
   58   HD22  LEU  34          1HD2      LEU  34  -0.846   4.905  -0.944
   59   HD23  LEU  34          2HD2      LEU  34   0.363   3.644  -0.996
   60    H    PHE  35           H        PHE  35   1.258   0.617   3.692
   61    HA   PHE  35           HA       PHE  35   3.406  -0.986   2.445
   62    HD1  PHE  35           HD1      PHE  35   4.524  -2.813   3.517
   63    HD2  PHE  35           HD2      PHE  35   5.192   0.163   6.586
   64    HE1  PHE  35           HE1      PHE  35   6.409  -4.122   4.381
   65    HE2  PHE  35           HE2      PHE  35   7.087  -1.190   7.455
   66    HZ   PHE  35           HZ       PHE  35   7.697  -3.332   6.360
   67    HB2  PHE  35           2HB      PHE  35   4.138   0.507   3.963
   68    HB3  PHE  35           3HB      PHE  35   3.105   0.282   5.186
   69    H    VAL  36           H        VAL  36   2.524  -2.545   1.667
   70    HA   VAL  36           HA       VAL  36   0.215  -3.988   2.892
   71    HB   VAL  36           HB       VAL  36   1.024  -2.859   0.218
   72   HG11  VAL  36          1HG1      VAL  36  -1.042  -3.379  -0.771
   73   HG12  VAL  36          2HG1      VAL  36   0.058  -4.722  -0.609
   74   HG13  VAL  36          3HG1      VAL  36  -1.356  -4.582   0.501
   75   HG21  VAL  36          3HG2      VAL  36  -1.720  -2.488   1.451
   76   HG22  VAL  36          1HG2      VAL  36  -0.402  -1.715   2.306
   77   HG23  VAL  36          2HG2      VAL  36  -0.665  -1.289   0.624
   78    H    ARG  37           H        ARG  37   1.187  -5.616   3.779
   79    HA   ARG  37           HA       ARG  37   3.010  -7.401   2.202
   80    HE   ARG  37           HE       ARG  37   3.719  -6.427   8.439
   81    HB2  ARG  37           2HB      ARG  37   4.473  -7.475   4.174
   82    HB3  ARG  37           3HB      ARG  37   4.284  -5.846   3.541
   83    HG2  ARG  37           2HG      ARG  37   2.895  -5.144   5.331
   84    HG3  ARG  37           3HG      ARG  37   2.527  -6.796   5.821
   85    HD2  ARG  37           2HD      ARG  37   4.878  -7.111   6.547
   86    HD3  ARG  37           3HD      ARG  37   5.236  -5.439   6.118
   87   HH11  ARG  37          1HH2      ARG  37   4.493  -3.477   6.622
   88   HH12  ARG  37          2HH2      ARG  37   3.851  -2.501   7.937
   89   HH21  ARG  37          2HH1      ARG  37   2.983  -4.952  10.011
   90   HH22  ARG  37          1HH1      ARG  37   3.117  -3.232   9.636
   91    HA   PRO  38           HA       PRO  38   0.510 -10.279   5.139
   92    HB2  PRO  38           2HB      PRO  38  -1.931 -10.770   4.016
   93    HB3  PRO  38           3HB      PRO  38  -1.667  -9.450   5.186
   94    HG2  PRO  38           2HG      PRO  38  -1.730  -9.197   2.194
   95    HG3  PRO  38           3HG      PRO  38  -2.609  -8.268   3.447
   96    HD2  PRO  38           2HD      PRO  38  -0.289  -7.332   2.421
   97    HD3  PRO  38           3HD      PRO  38  -0.622  -7.166   4.165
   98    H    PHE  39           H        PHE  39   0.231  -9.933   1.654
   99    HA   PHE  39           HA       PHE  39  -0.171 -12.647   0.950
  100    HD1  PHE  39           HD2      PHE  39   1.242  -8.688   0.180
  101    HD2  PHE  39           HD1      PHE  39  -2.435 -10.561  -1.155
  102    HE1  PHE  39           HE2      PHE  39   0.084  -6.574   0.293
  103    HE2  PHE  39           HE1      PHE  39  -3.514  -8.338  -1.226
  104    HZ   PHE  39           HZ       PHE  39  -2.291  -6.338  -0.481
  105    HB2  PHE  39           2HB      PHE  39   1.149 -10.947  -1.066
  106    HB3  PHE  39           3HB      PHE  39  -0.356 -11.833  -1.168
  107    HA   PRO  40           HA       PRO  40   4.175 -13.766   0.387
  108    HB2  PRO  40           2HB      PRO  40   3.342 -15.963  -1.444
  109    HB3  PRO  40           3HB      PRO  40   4.115 -16.074   0.160
  110    HG2  PRO  40           2HG      PRO  40   1.484 -16.792  -0.323
  111    HG3  PRO  40           3HG      PRO  40   2.078 -16.181   1.246
  112    HD2  PRO  40           2HD      PRO  40   0.658 -14.643  -0.936
  113    HD3  PRO  40           3HD      PRO  40   0.407 -14.623   0.833
  114    H    LEU  41           H        LEU  41   5.055 -14.879  -2.164
  115    HA   LEU  41           HA       LEU  41   5.561 -12.606  -3.733
  116    HG   LEU  41           HG       LEU  41   7.990 -15.423  -4.481
  117    HB2  LEU  41           2HB      LEU  41   5.507 -15.542  -4.576
  118    HB3  LEU  41           3HB      LEU  41   6.256 -14.242  -5.472
  119   HD11  LEU  41          1HD1      LEU  41   9.129 -13.793  -3.092
  120   HD12  LEU  41          2HD1      LEU  41   8.229 -12.961  -4.375
  121   HD13  LEU  41          3HD1      LEU  41   7.587 -12.996  -2.709
  122   HD21  LEU  41          3HD2      LEU  41   6.677 -16.560  -2.658
  123   HD22  LEU  41          1HD2      LEU  41   8.300 -16.013  -2.213
  124   HD23  LEU  41          2HD2      LEU  41   6.901 -15.089  -1.672
  125    H    ASP  42           H        ASP  42   2.578 -14.265  -3.611
  126    HA   ASP  42           HA       ASP  42   1.601 -14.183  -6.235
  127    HB2  ASP  42           2HB      ASP  42   0.105 -13.866  -3.612
  128    HB3  ASP  42           3HB      ASP  42  -0.620 -14.287  -5.160
  129    H    VAL  43           H        VAL  43   1.757 -11.429  -3.930
  130    HA   VAL  43           HA       VAL  43  -0.149  -9.867  -5.506
  131    HB   VAL  43           HB       VAL  43   0.056  -9.522  -3.096
  132   HG11  VAL  43          1HG1      VAL  43   2.507  -9.687  -2.782
  133   HG12  VAL  43          2HG1      VAL  43   2.725  -8.158  -3.667
  134   HG13  VAL  43          3HG1      VAL  43   1.869  -8.172  -2.125
  135   HG21  VAL  43          3HG2      VAL  43  -0.142  -7.104  -3.108
  136   HG22  VAL  43          1HG2      VAL  43   0.681  -6.992  -4.672
  137   HG23  VAL  43          2HG2      VAL  43  -0.913  -7.765  -4.550
  138    H    GLN  44           H        GLN  44   0.167  -8.295  -6.970
  139    HA   GLN  44           HA       GLN  44   2.893  -7.495  -7.761
  140    HB2  GLN  44           2HB      GLN  44   1.047  -8.155 -10.001
  141    HB3  GLN  44           3HB      GLN  44   2.786  -8.178  -9.983
  142    HG2  GLN  44           2HG      GLN  44   1.165 -10.392  -8.654
  143    HG3  GLN  44           3HG      GLN  44   1.383 -10.323 -10.383
  144   HE21  GLN  44          2HE2      GLN  44   3.448 -10.256  -7.392
  145   HE22  GLN  44          1HE2      GLN  44   4.600 -11.366  -8.070
  146    H    GLU  45           H        GLU  45   2.682  -5.768  -9.544
  147    HA   GLU  45           HA       GLU  45   1.096  -3.582  -8.701
  148    HB2  GLU  45           2HB      GLU  45   3.172  -3.490 -10.002
  149    HB3  GLU  45           3HB      GLU  45   2.398  -4.186 -11.407
  150    HG2  GLU  45           2HG      GLU  45   1.364  -1.603 -10.171
  151    HG3  GLU  45           3HG      GLU  45   2.828  -1.589 -11.137
  152    H    SER  46           H        SER  46   0.154  -6.200 -10.950
  153    HA   SER  46           HA       SER  46  -2.262  -4.971 -11.899
  154    HG   SER  46           HG       SER  46  -1.156  -8.444 -11.012
  155    HB2  SER  46           2HB      SER  46  -2.861  -7.517 -12.223
  156    HB3  SER  46           3HB      SER  46  -1.660  -6.700 -13.217
  157    H    GLU  47           H        GLU  47  -1.572  -6.692  -8.827
  158    HA   GLU  47           HA       GLU  47  -4.403  -7.264  -8.250
  159    HB2  GLU  47           2HB      GLU  47  -1.645  -7.793  -7.049
  160    HB3  GLU  47           3HB      GLU  47  -3.073  -7.941  -6.073
  161    HG2  GLU  47           2HG      GLU  47  -2.378 -10.097  -7.009
  162    HG3  GLU  47           3HG      GLU  47  -4.007  -9.624  -7.505
  163    H    LEU  48           H        LEU  48  -1.678  -5.198  -7.322
  164    HA   LEU  48           HA       LEU  48  -3.065  -3.547  -5.428
  165    HG   LEU  48           HG       LEU  48  -0.585  -5.053  -5.419
  166    HB2  LEU  48           2HB      LEU  48  -0.661  -3.059  -7.206
  167    HB3  LEU  48           3HB      LEU  48  -1.101  -2.087  -5.903
  168   HD11  LEU  48          1HD1      LEU  48   1.708  -4.692  -5.068
  169   HD12  LEU  48          2HD1      LEU  48   1.338  -4.057  -6.667
  170   HD13  LEU  48          3HD1      LEU  48   1.561  -2.938  -5.299
  171   HD21  LEU  48          3HD2      LEU  48  -1.411  -3.834  -3.543
  172   HD22  LEU  48          1HD2      LEU  48   0.306  -4.167  -3.310
  173   HD23  LEU  48          2HD2      LEU  48  -0.203  -2.520  -3.819
  174    H    ASN  49           H        ASN  49  -2.676  -3.448  -9.012
  175    HA   ASN  49           HA       ASN  49  -4.212  -1.025  -9.385
  176    HB2  ASN  49           2HB      ASN  49  -3.472  -3.297 -11.169
  177    HB3  ASN  49           3HB      ASN  49  -4.911  -2.400 -11.619
  178   HD21  ASN  49          2HD2      ASN  49  -1.518  -1.906 -10.705
  179   HD22  ASN  49          1HD2      ASN  49  -1.246  -0.586 -11.830
  180    H    GLU  50           H        GLU  50  -5.390  -4.419  -9.185
  181    HA   GLU  50           HA       GLU  50  -8.170  -3.771  -9.400
  182    HB2  GLU  50           2HB      GLU  50  -6.567  -6.031  -8.245
  183    HB3  GLU  50           3HB      GLU  50  -8.297  -5.981  -7.927
  184    HG2  GLU  50           2HG      GLU  50  -7.031  -5.899 -10.711
  185    HG3  GLU  50           3HG      GLU  50  -7.602  -7.364  -9.922
  186    H    ILE  51           H        ILE  51  -6.066  -3.752  -6.534
  187    HA   ILE  51           HA       ILE  51  -8.332  -3.347  -4.697
  188    HB   ILE  51           HB       ILE  51  -5.359  -3.641  -4.421
  189   HG12  ILE  51          2HG1      ILE  51  -7.563  -5.540  -3.507
  190   HG13  ILE  51          3HG1      ILE  51  -6.786  -5.651  -5.074
  191   HG21  ILE  51          1HG2      ILE  51  -5.680  -3.872  -1.952
  192   HG22  ILE  51          2HG2      ILE  51  -6.101  -2.261  -2.499
  193   HG23  ILE  51          3HG2      ILE  51  -7.391  -3.435  -2.154
  194   HD11  ILE  51          3HD1      ILE  51  -5.447  -6.069  -2.380
  195   HD12  ILE  51          1HD1      ILE  51  -5.705  -7.244  -3.670
  196   HD13  ILE  51          2HD1      ILE  51  -4.553  -5.921  -3.906
  197    H    PHE  52           H        PHE  52  -5.759  -1.319  -6.060
  198    HA   PHE  52           HA       PHE  52  -6.456   0.934  -4.272
  199    HD1  PHE  52           HD1      PHE  52  -4.223  -1.781  -4.499
  200    HD2  PHE  52           HD2      PHE  52  -3.526   2.144  -2.849
  201    HE1  PHE  52           HE1      PHE  52  -2.979  -2.798  -2.649
  202    HE2  PHE  52           HE2      PHE  52  -2.111   1.103  -1.124
  203    HZ   PHE  52           HZ       PHE  52  -1.682  -1.343  -1.163
  204    HB2  PHE  52           2HB      PHE  52  -4.042   0.474  -5.944
  205    HB3  PHE  52           3HB      PHE  52  -4.366   1.944  -5.056
  206    H    GLY  53           H        GLY  53  -6.768  -0.016  -7.601
  207    HA2  GLY  53           2HA      GLY  53  -7.103   2.407  -8.987
  208    HA3  GLY  53           3HA      GLY  53  -7.999   0.912  -9.273
  209    HA   PRO  54           HA       PRO  54 -11.633   2.689  -7.182
  210    HB2  PRO  54           2HB      PRO  54 -11.122   1.753  -4.373
  211    HB3  PRO  54           3HB      PRO  54 -12.591   1.569  -5.384
  212    HG2  PRO  54           2HG      PRO  54 -10.945  -0.543  -4.972
  213    HG3  PRO  54           3HG      PRO  54 -11.599  -0.238  -6.619
  214    HD2  PRO  54           2HD      PRO  54  -8.954   0.667  -5.463
  215    HD3  PRO  54           3HD      PRO  54  -9.187  -0.298  -6.938
  216    H    PHE  55           H        PHE  55  -8.629   3.218  -5.335
  217    HA   PHE  55           HA       PHE  55  -9.592   5.643  -3.979
  218    HD1  PHE  55           HD2      PHE  55  -9.862   3.734  -2.640
  219    HD2  PHE  55           HD1      PHE  55  -5.616   3.148  -3.025
  220    HE1  PHE  55           HE2      PHE  55 -10.072   1.519  -1.559
  221    HE2  PHE  55           HE1      PHE  55  -5.803   1.041  -1.671
  222    HZ   PHE  55           HZ       PHE  55  -8.054   0.211  -1.007
  223    HB2  PHE  55           2HB      PHE  55  -6.699   4.792  -4.241
  224    HB3  PHE  55           3HB      PHE  55  -7.453   5.751  -3.019
  225    H    GLY  56           H        GLY  56  -7.198   4.803  -6.482
  226    HA2  GLY  56           2HA      GLY  56  -7.568   5.891  -8.591
  227    HA3  GLY  56           3HA      GLY  56  -7.719   7.434  -7.755
  228    HA   PRO  57           HA       PRO  57  -3.714   8.453  -8.782
  229    HB2  PRO  57           2HB      PRO  57  -2.768  10.109  -6.833
  230    HB3  PRO  57           3HB      PRO  57  -4.291  10.415  -7.706
  231    HG2  PRO  57           2HG      PRO  57  -3.951   9.004  -5.043
  232    HG3  PRO  57           3HG      PRO  57  -4.997  10.422  -5.409
  233    HD2  PRO  57           2HD      PRO  57  -5.973   7.884  -5.441
  234    HD3  PRO  57           3HD      PRO  57  -6.513   9.102  -6.644
  235    H    MET  58           H        MET  58  -3.524   5.749  -7.635
  236    HA   MET  58           HA       MET  58  -1.088   5.179  -6.211
  237    HB2  MET  58           2HB      MET  58  -1.063   3.118  -7.503
  238    HB3  MET  58           3HB      MET  58  -2.506   3.408  -6.537
  239    HG2  MET  58           2HG      MET  58  -3.892   3.448  -8.316
  240    HG3  MET  58           3HG      MET  58  -2.762   4.328  -9.347
  241    HE1  MET  58           3HE      MET  58  -3.739   0.739  -7.969
  242    HE2  MET  58           1HE      MET  58  -2.305  -0.184  -8.497
  243    HE3  MET  58           2HE      MET  58  -2.137   1.113  -7.303
  244    H    LYS  59           H        LYS  59   0.558   6.427  -6.591
  245    HA   LYS  59           HA       LYS  59   1.540   6.978  -9.330
  246    HB2  LYS  59           2HB      LYS  59   0.759   8.797  -8.098
  247    HB3  LYS  59           3HB      LYS  59   1.543   8.296  -6.624
  248    HG2  LYS  59           2HG      LYS  59   3.108   9.262  -9.016
  249    HG3  LYS  59           3HG      LYS  59   2.327  10.295  -7.819
  250    HD2  LYS  59           2HD      LYS  59   4.581   8.352  -7.190
  251    HD3  LYS  59           3HD      LYS  59   4.562  10.119  -7.278
  252    HE2  LYS  59           2HE      LYS  59   2.751  10.086  -5.538
  253    HE3  LYS  59           3HE      LYS  59   3.292   8.436  -5.172
  254    HZ1  LYS  59           3HZ      LYS  59   5.469   9.312  -4.687
  255    HZ2  LYS  59           1HZ      LYS  59   5.059  10.840  -5.143
  256    HZ3  LYS  59           2HZ      LYS  59   4.381  10.173  -3.807
  257    H    GLU  60           H        GLU  60   2.510   5.377  -6.366
  258    HA   GLU  60           HA       GLU  60   4.552   4.077  -7.983
  259    HB2  GLU  60           2HB      GLU  60   5.664   5.995  -6.342
  260    HB3  GLU  60           3HB      GLU  60   5.572   4.605  -5.240
  261    HG2  GLU  60           2HG      GLU  60   6.750   3.233  -7.025
  262    HG3  GLU  60           3HG      GLU  60   6.972   4.731  -7.928
  263    H    VAL  61           H        VAL  61   5.276   2.147  -7.275
  264    HA   VAL  61           HA       VAL  61   3.527   0.636  -5.475
  265    HB   VAL  61           HB       VAL  61   3.633  -0.179  -8.423
  266   HG11  VAL  61          1HG1      VAL  61   1.755  -1.530  -7.841
  267   HG12  VAL  61          2HG1      VAL  61   2.912  -1.676  -6.508
  268   HG13  VAL  61          3HG1      VAL  61   1.480  -0.649  -6.329
  269   HG21  VAL  61          3HG2      VAL  61   1.398   0.677  -8.871
  270   HG22  VAL  61          1HG2      VAL  61   1.411   1.582  -7.345
  271   HG23  VAL  61          2HG2      VAL  61   2.557   1.984  -8.647
  272    H    LYS  62           H        LYS  62   5.728   0.661  -4.533
  273    HA   LYS  62           HA       LYS  62   7.895  -0.721  -5.921
  274    HB2  LYS  62           2HB      LYS  62   7.615  -0.424  -2.918
  275    HB3  LYS  62           3HB      LYS  62   9.081  -0.625  -3.867
  276    HG2  LYS  62           2HG      LYS  62   8.623   1.675  -4.871
  277    HG3  LYS  62           3HG      LYS  62   7.307   1.847  -3.713
  278    HD2  LYS  62           2HD      LYS  62   8.845   2.753  -2.315
  279    HD3  LYS  62           3HD      LYS  62   9.341   1.088  -2.013
  280    HE2  LYS  62           2HE      LYS  62  11.371   2.102  -2.604
  281    HE3  LYS  62           3HE      LYS  62  10.838   1.370  -4.131
  282    HZ1  LYS  62           3HZ      LYS  62  10.934   4.195  -3.340
  283    HZ2  LYS  62           1HZ      LYS  62  11.292   3.537  -4.790
  284    HZ3  LYS  62           2HZ      LYS  62   9.723   3.771  -4.363
  285    H    ILE  63           H        ILE  63   7.936  -2.851  -6.264
  286    HA   ILE  63           HA       ILE  63   6.290  -4.679  -4.544
  287    HB   ILE  63           HB       ILE  63   7.233  -5.367  -7.324
  288   HG12  ILE  63          2HG1      ILE  63   5.791  -3.463  -7.697
  289   HG13  ILE  63          3HG1      ILE  63   5.144  -4.952  -8.336
  290   HG21  ILE  63          1HG2      ILE  63   5.107  -6.564  -5.503
  291   HG22  ILE  63          2HG2      ILE  63   5.400  -7.069  -7.177
  292   HG23  ILE  63          3HG2      ILE  63   6.655  -7.289  -5.961
  293   HD11  ILE  63          3HD1      ILE  63   3.539  -5.113  -6.456
  294   HD12  ILE  63          1HD1      ILE  63   4.156  -3.583  -5.792
  295   HD13  ILE  63          2HD1      ILE  63   3.368  -3.633  -7.382
  296    H    LEU  64           H        LEU  64   7.364  -5.992  -3.300
  297    HA   LEU  64           HA       LEU  64  10.069  -7.054  -3.968
  298    HG   LEU  64           HG       LEU  64  11.186  -4.830  -2.989
  299    HB2  LEU  64           2HB      LEU  64   9.005  -6.060  -1.293
  300    HB3  LEU  64           3HB      LEU  64  10.574  -6.779  -1.576
  301   HD11  LEU  64          1HD1      LEU  64   9.606  -3.428  -3.719
  302   HD12  LEU  64          2HD1      LEU  64   8.456  -3.858  -2.433
  303   HD13  LEU  64          3HD1      LEU  64   9.749  -2.679  -2.143
  304   HD21  LEU  64          3HD2      LEU  64  10.426  -4.444  -0.117
  305   HD22  LEU  64          1HD2      LEU  64  11.947  -5.075  -0.766
  306   HD23  LEU  64          2HD2      LEU  64  11.534  -3.370  -1.021
  307    H    ASN  65           H        ASN  65  10.487  -8.747  -2.150
  308    HA   ASN  65           HA       ASN  65   9.377 -11.146  -2.830
  309    HB2  ASN  65           2HB      ASN  65  10.706 -10.422  -0.239
  310    HB3  ASN  65           3HB      ASN  65  10.784 -12.012  -1.002
  311   HD21  ASN  65          1HD2      ASN  65  12.680  -9.354  -0.490
  312   HD22  ASN  65          2HD2      ASN  65  13.699  -9.495  -1.914
  313    H    GLY  66           H        GLY  66   6.976  -9.971  -2.129
  314    HA2  GLY  66           2HA      GLY  66   5.085 -10.982  -1.094
  315    HA3  GLY  66           3HA      GLY  66   5.986 -11.330   0.357
  316    H    PHE  67           H        PHE  67   6.595  -8.252  -1.216
  317    HA   PHE  67           HA       PHE  67   4.751  -6.838   0.670
  318    HD1  PHE  67           HD2      PHE  67   8.655  -8.209   0.346
  319    HD2  PHE  67           HD1      PHE  67   6.528  -6.415   3.631
  320    HE1  PHE  67           HE2      PHE  67   9.730  -9.807   1.918
  321    HE2  PHE  67           HE1      PHE  67   7.605  -8.006   5.203
  322    HZ   PHE  67           HZ       PHE  67   9.200  -9.712   4.348
  323    HB2  PHE  67           2HB      PHE  67   7.570  -5.904   0.233
  324    HB3  PHE  67           3HB      PHE  67   6.437  -5.404   1.458
  325    H    ALA  68           H        ALA  68   3.937  -4.992   0.003
  326    HA   ALA  68           HA       ALA  68   4.696  -3.698  -2.607
  327    HB1  ALA  68           1HB      ALA  68   2.654  -4.945  -2.865
  328    HB2  ALA  68           2HB      ALA  68   1.970  -4.129  -1.452
  329    HB3  ALA  68           3HB      ALA  68   2.388  -3.183  -2.890
  330    H    PHE  69           H        PHE  69   5.105  -1.614  -2.393
  331    HA   PHE  69           HA       PHE  69   4.117  -0.157  -0.023
  332    HD1  PHE  69           HD2      PHE  69   7.188  -2.096  -1.383
  333    HD2  PHE  69           HD1      PHE  69   6.957   0.078   2.323
  334    HE1  PHE  69           HE2      PHE  69   8.365  -3.917  -0.252
  335    HE2  PHE  69           HE1      PHE  69   8.302  -1.713   3.432
  336    HZ   PHE  69           HZ       PHE  69   9.078  -3.713   2.057
  337    HB2  PHE  69           2HB      PHE  69   6.838   0.547  -1.140
  338    HB3  PHE  69           3HB      PHE  69   6.092   1.057   0.348
  339    H    VAL  70           H        VAL  70   2.448   0.446  -1.201
  340    HA   VAL  70           HA       VAL  70   2.764   1.781  -3.794
  341    HB   VAL  70           HB       VAL  70   0.194   1.629  -2.224
  342   HG11  VAL  70          1HG1      VAL  70  -0.797   1.376  -4.426
  343   HG12  VAL  70          2HG1      VAL  70   0.194   2.872  -4.445
  344   HG13  VAL  70          3HG1      VAL  70   0.801   1.334  -5.169
  345   HG21  VAL  70          3HG2      VAL  70   1.007  -0.670  -2.345
  346   HG22  VAL  70          1HG2      VAL  70  -0.251  -0.412  -3.572
  347   HG23  VAL  70          2HG2      VAL  70   1.481  -0.373  -4.072
  348    H    GLU  71           H        GLU  71   2.075   4.012  -4.131
  349    HA   GLU  71           HA       GLU  71   2.530   5.810  -1.779
  350    HB2  GLU  71           2HB      GLU  71   4.714   4.976  -2.985
  351    HB3  GLU  71           3HB      GLU  71   4.144   5.987  -4.325
  352    HG2  GLU  71           2HG      GLU  71   4.042   7.962  -2.822
  353    HG3  GLU  71           3HG      GLU  71   4.667   6.979  -1.519
  354    H    PHE  72           H        PHE  72   1.731   7.840  -2.086
  355    HA   PHE  72           HA       PHE  72   0.641   8.608  -4.767
  356    HD1  PHE  72           HD1      PHE  72  -1.184   6.911  -4.910
  357    HD2  PHE  72           HD2      PHE  72  -1.962   7.966  -0.844
  358    HE1  PHE  72           HE1      PHE  72  -2.734   4.942  -4.689
  359    HE2  PHE  72           HE2      PHE  72  -3.494   6.034  -0.614
  360    HZ   PHE  72           HZ       PHE  72  -3.894   4.528  -2.542
  361    HB2  PHE  72           2HB      PHE  72  -0.589   9.318  -2.077
  362    HB3  PHE  72           3HB      PHE  72  -1.281   9.509  -3.675
  363    H    GLU  73           H        GLU  73   0.178  10.812  -5.065
  364    HA   GLU  73           HA       GLU  73   2.558  12.380  -4.442
  365    HB2  GLU  73           2HB      GLU  73   1.736  13.938  -6.111
  366    HB3  GLU  73           3HB      GLU  73   1.754  12.277  -6.687
  367    HG2  GLU  73           2HG      GLU  73  -0.722  12.132  -6.235
  368    HG3  GLU  73           3HG      GLU  73  -0.693  13.841  -5.787
  369    H    GLU  74           H        GLU  74  -0.399  12.163  -2.826
  370    HA   GLU  74           HA       GLU  74   0.341  14.353  -1.053
  371    HB2  GLU  74           2HB      GLU  74  -2.137  15.183  -1.056
  372    HB3  GLU  74           3HB      GLU  74  -0.980  15.807  -2.197
  373    HG2  GLU  74           3HG      GLU  74  -3.213  15.390  -3.047
  374    HG3  GLU  74           2HG      GLU  74  -1.940  14.654  -4.048
  375    H    ALA  75           H        ALA  75  -1.515  14.381   0.801
  376    HA   ALA  75           HA       ALA  75  -1.482  11.575   1.776
  377    HB1  ALA  75           1HB      ALA  75  -1.532  12.579   3.988
  378    HB2  ALA  75           2HB      ALA  75  -0.241  13.306   3.019
  379    HB3  ALA  75           3HB      ALA  75  -1.760  14.197   3.287
  380    H    GLU  76           H        GLU  76  -3.833  13.429   0.294
  381    HA   GLU  76           HA       GLU  76  -6.120  12.837   2.073
  382    HB2  GLU  76           2HB      GLU  76  -6.114  13.650  -0.852
  383    HB3  GLU  76           3HB      GLU  76  -7.468  13.723   0.275
  384    HG2  GLU  76           2HG      GLU  76  -4.949  15.438   0.303
  385    HG3  GLU  76           3HG      GLU  76  -6.582  15.963  -0.074
  386    H    SER  77           H        SER  77  -4.689  11.669  -0.910
  387    HA   SER  77           HA       SER  77  -6.372   9.447  -1.552
  388    HG   SER  77           HG       SER  77  -3.219  11.183  -1.947
  389    HB2  SER  77           2HB      SER  77  -4.266   8.681  -2.694
  390    HB3  SER  77           3HB      SER  77  -4.752  10.335  -3.083
  391    H    ALA  78           H        ALA  78  -3.418   9.705   0.382
  392    HA   ALA  78           HA       ALA  78  -3.433   7.029   1.387
  393    HB1  ALA  78           1HB      ALA  78  -1.494   8.475   1.532
  394    HB2  ALA  78           2HB      ALA  78  -2.304   9.503   2.744
  395    HB3  ALA  78           3HB      ALA  78  -1.913   7.807   3.109
  396    H    ALA  79           H        ALA  79  -4.973   9.981   2.846
  397    HA   ALA  79           HA       ALA  79  -6.086   8.762   5.124
  398    HB1  ALA  79           1HB      ALA  79  -7.305  10.989   3.467
  399    HB2  ALA  79           2HB      ALA  79  -7.652  10.591   5.155
  400    HB3  ALA  79           3HB      ALA  79  -6.043  11.180   4.702
  401    H    LYS  80           H        LYS  80  -7.647   9.028   1.860
  402    HA   LYS  80           HA       LYS  80  -9.792   7.316   2.721
  403    HB2  LYS  80           2HB      LYS  80 -10.508   7.154   0.418
  404    HB3  LYS  80           3HB      LYS  80 -10.061   8.829   0.801
  405    HG2  LYS  80           2HG      LYS  80  -7.953   8.534  -0.361
  406    HG3  LYS  80           3HG      LYS  80  -8.347   6.836  -0.760
  407    HD2  LYS  80           2HD      LYS  80  -9.927   7.460  -2.356
  408    HD3  LYS  80           3HD      LYS  80 -10.348   8.966  -1.518
  409    HE2  LYS  80           2HE      LYS  80  -8.267  10.014  -2.219
  410    HE3  LYS  80           3HE      LYS  80  -7.769   8.537  -3.067
  411    HZ1  LYS  80           3HZ      LYS  80 -10.252  10.030  -3.739
  412    HZ2  LYS  80           1HZ      LYS  80  -8.830  10.273  -4.503
  413    HZ3  LYS  80           2HZ      LYS  80  -9.546   8.816  -4.601
  414    H    ALA  81           H        ALA  81  -6.753   6.501   1.055
  415    HA   ALA  81           HA       ALA  81  -7.384   3.820   0.521
  416    HB1  ALA  81           1HB      ALA  81  -4.669   4.962   1.230
  417    HB2  ALA  81           2HB      ALA  81  -4.978   3.385   0.465
  418    HB3  ALA  81           3HB      ALA  81  -5.426   4.866  -0.379
  419    H    ILE  82           H        ILE  82  -5.926   5.311   3.469
  420    HA   ILE  82           HA       ILE  82  -5.722   3.099   5.152
  421    HB   ILE  82           HB       ILE  82  -6.445   5.956   5.836
  422   HG12  ILE  82          2HG1      ILE  82  -3.804   4.752   6.584
  423   HG13  ILE  82          3HG1      ILE  82  -4.031   5.166   4.886
  424   HG21  ILE  82          1HG2      ILE  82  -5.631   3.762   7.784
  425   HG22  ILE  82          2HG2      ILE  82  -5.767   5.480   8.173
  426   HG23  ILE  82          3HG2      ILE  82  -7.206   4.587   7.724
  427   HD11  ILE  82          3HD1      ILE  82  -3.044   7.054   6.085
  428   HD12  ILE  82          1HD1      ILE  82  -4.692   7.443   5.562
  429   HD13  ILE  82          2HD1      ILE  82  -4.397   7.057   7.254
  430    H    GLU  83           H        GLU  83  -8.518   5.385   4.978
  431    HA   GLU  83           HA       GLU  83 -10.175   3.830   6.686
  432    HB2  GLU  83           2HB      GLU  83 -10.852   5.862   4.551
  433    HB3  GLU  83           3HB      GLU  83 -12.039   5.188   5.676
  434    HG2  GLU  83           2HG      GLU  83  -9.505   6.668   6.556
  435    HG3  GLU  83           3HG      GLU  83 -11.087   7.409   6.354
  436    H    GLU  84           H        GLU  84  -9.542   3.375   3.265
  437    HA   GLU  84           HA       GLU  84 -11.856   1.656   2.736
  438    HB2  GLU  84           2HB      GLU  84  -9.316   2.322   1.203
  439    HB3  GLU  84           3HB      GLU  84 -10.515   1.191   0.608
  440    HG2  GLU  84           2HG      GLU  84 -11.356   4.001   1.313
  441    HG3  GLU  84           3HG      GLU  84 -10.511   3.686  -0.189
  442    H    VAL  85           H        VAL  85  -8.368   1.079   3.387
  443    HA   VAL  85           HA       VAL  85  -8.919  -1.853   3.602
  444    HB   VAL  85           HB       VAL  85  -8.578  -1.393   1.315
  445   HG11  VAL  85          1HG1      VAL  85  -5.977  -0.109   2.077
  446   HG12  VAL  85          2HG1      VAL  85  -6.312  -0.685   0.440
  447   HG13  VAL  85          3HG1      VAL  85  -7.316   0.575   1.166
  448   HG21  VAL  85          3HG2      VAL  85  -7.693  -3.538   2.235
  449   HG22  VAL  85          1HG2      VAL  85  -6.951  -3.004   0.713
  450   HG23  VAL  85          2HG2      VAL  85  -6.075  -2.794   2.238
  451    H    HIS  86           H        HIS  86  -7.262   0.710   5.106
  452    HA   HIS  86           HA       HIS  86  -5.036  -0.841   6.165
  453    HD1  HIS  86           HD1      HIS  86  -2.854   1.816   7.304
  454    HD2  HIS  86           HD2      HIS  86  -5.657   0.083   9.897
  455    HE1  HIS  86           HE1      HIS  86  -1.618   1.390   9.510
  456    HB2  HIS  86           2HB      HIS  86  -5.198   1.628   6.320
  457    HB3  HIS  86           3HB      HIS  86  -6.483   1.466   7.510
  458    H    GLY  87           H        GLY  87  -5.237  -2.630   7.372
  459    HA2  GLY  87           2HA      GLY  87  -5.434  -3.597   9.501
  460    HA3  GLY  87           3HA      GLY  87  -6.719  -2.472   9.939
  461    H    LYS  88           H        LYS  88  -7.407  -3.446   6.904
  462    HA   LYS  88           HA       LYS  88  -9.401  -5.511   7.560
  463    HB2  LYS  88           2HB      LYS  88  -8.553  -3.789   5.223
  464    HB3  LYS  88           3HB      LYS  88  -9.311  -5.279   4.869
  465    HG2  LYS  88           2HG      LYS  88 -11.016  -3.580   4.927
  466    HG3  LYS  88           3HG      LYS  88 -11.264  -4.633   6.310
  467    HD2  LYS  88           2HD      LYS  88 -11.619  -2.590   7.293
  468    HD3  LYS  88           3HD      LYS  88  -9.892  -2.728   7.609
  469    HE2  LYS  88           2HE      LYS  88  -9.493  -1.414   5.481
  470    HE3  LYS  88           3HE      LYS  88 -11.241  -1.198   5.341
  471    HZ1  LYS  88           3HZ      LYS  88  -9.493  -0.202   7.531
  472    HZ2  LYS  88           1HZ      LYS  88 -10.308   0.712   6.425
  473    HZ3  LYS  88           2HZ      LYS  88 -11.134  -0.104   7.570
  474    H    SER  89           H        SER  89  -9.194  -7.583   6.877
  475    HA   SER  89           HA       SER  89  -6.415  -8.570   6.878
  476    HG   SER  89           HG       SER  89  -9.589 -10.373   6.666
  477    HB2  SER  89           2HB      SER  89  -7.480 -10.753   7.461
  478    HB3  SER  89           3HB      SER  89  -7.731  -9.432   8.610
  479    H    PHE  90           H        PHE  90  -5.579  -8.472   4.775
  480    HA   PHE  90           HA       PHE  90  -7.141  -9.845   2.623
  481    HD1  PHE  90           HD1      PHE  90  -4.266 -10.536   0.641
  482    HD2  PHE  90           HD2      PHE  90  -7.228  -7.412   0.371
  483    HE1  PHE  90           HE1      PHE  90  -4.843 -11.281  -1.651
  484    HE2  PHE  90           HE2      PHE  90  -7.730  -8.097  -1.954
  485    HZ   PHE  90           HZ       PHE  90  -6.591 -10.075  -2.934
  486    HB2  PHE  90           2HB      PHE  90  -6.070  -7.674   2.285
  487    HB3  PHE  90           3HB      PHE  90  -4.503  -8.383   2.435
  488    H    ALA  91           H        ALA  91  -6.539 -11.735   1.711
  489    HA   ALA  91           HA       ALA  91  -5.888 -13.861   1.552
  490    HB1  ALA  91           1HB      ALA  91  -3.466 -14.325   1.571
  491    HB2  ALA  91           2HB      ALA  91  -3.868 -12.860   0.663
  492    HB3  ALA  91           3HB      ALA  91  -3.159 -12.731   2.292
  493    H    ASN  92           H        ASN  92  -4.094 -12.844   4.473
  494    HA   ASN  92           HA       ASN  92  -5.591 -14.695   6.174
  495    HB2  ASN  92           2HB      ASN  92  -3.587 -15.942   6.936
  496    HB3  ASN  92           3HB      ASN  92  -3.927 -16.216   5.235
  497   HD21  ASN  92          1HD2      ASN  92  -1.779 -14.354   7.448
  498   HD22  ASN  92          2HD2      ASN  92  -0.458 -14.313   6.291
  499    H    GLN  93           H        GLN  93  -4.036 -11.690   5.829
  500    HA   GLN  93           HA       GLN  93  -4.201 -11.131   8.664
  501    HB2  GLN  93           2HB      GLN  93  -1.844 -10.683   9.096
  502    HB3  GLN  93           3HB      GLN  93  -2.093 -12.359   8.679
  503    HG2  GLN  93           2HG      GLN  93  -1.365 -11.684   6.284
  504    HG3  GLN  93           3HG      GLN  93  -0.788 -10.186   7.037
  505   HE21  GLN  93          2HE2      GLN  93   0.758 -12.449   5.664
  506   HE22  GLN  93          1HE2      GLN  93   1.898 -12.932   6.906
  507    HA   PRO  94           HA       PRO  94  -4.791  -7.250   7.093
  508    HB2  PRO  94           2HB      PRO  94  -3.528  -5.771   9.377
  509    HB3  PRO  94           3HB      PRO  94  -5.245  -5.864   8.902
  510    HG2  PRO  94           2HG      PRO  94  -4.305  -7.201  11.100
  511    HG3  PRO  94           3HG      PRO  94  -5.564  -7.896  10.025
  512    HD2  PRO  94           2HD      PRO  94  -2.559  -8.382   9.969
  513    HD3  PRO  94           3HD      PRO  94  -3.881  -9.581  10.014
  514    H    LEU  95           H        LEU  95  -4.366  -5.274   6.287
  515    HA   LEU  95           HA       LEU  95  -1.707  -4.734   5.182
  516    HG   LEU  95           HG       LEU  95  -4.081  -3.897   2.524
  517    HB2  LEU  95           2HB      LEU  95  -4.491  -3.486   5.077
  518    HB3  LEU  95           3HB      LEU  95  -3.140  -2.787   4.270
  519   HD11  LEU  95          1HD1      LEU  95  -2.535  -6.171   3.677
  520   HD12  LEU  95          2HD1      LEU  95  -3.002  -5.991   1.979
  521   HD13  LEU  95          3HD1      LEU  95  -1.836  -4.859   2.709
  522   HD21  LEU  95          3HD2      LEU  95  -5.396  -5.677   2.447
  523   HD22  LEU  95          1HD2      LEU  95  -4.927  -6.276   4.076
  524   HD23  LEU  95          2HD2      LEU  95  -5.917  -4.800   3.877
  525    H    GLU  96           H        GLU  96  -0.496  -2.839   5.470
  526    HA   GLU  96           HA       GLU  96  -1.269  -0.969   7.653
  527    HB2  GLU  96           2HB      GLU  96   0.717  -2.521   8.097
  528    HB3  GLU  96           3HB      GLU  96   1.592  -1.598   6.875
  529    HG2  GLU  96           2HG      GLU  96   0.737   0.478   8.313
  530    HG3  GLU  96           3HG      GLU  96   0.580  -0.729   9.583
  531    H    VAL  97           H        VAL  97  -2.380  -0.547   5.474
  532    HA   VAL  97           HA       VAL  97  -1.174   1.021   3.371
  533    HB   VAL  97           HB       VAL  97  -3.947   0.822   4.558
  534   HG11  VAL  97          1HG1      VAL  97  -3.230   2.136   1.919
  535   HG12  VAL  97          2HG1      VAL  97  -4.847   1.755   2.459
  536   HG13  VAL  97          3HG1      VAL  97  -3.898   2.949   3.351
  537   HG21  VAL  97          3HG2      VAL  97  -2.559  -1.067   3.080
  538   HG22  VAL  97          1HG2      VAL  97  -4.312  -0.951   3.111
  539   HG23  VAL  97          2HG2      VAL  97  -3.372  -0.212   1.783
  540    H    VAL  98           H        VAL  98   0.014   3.016   4.165
  541    HA   VAL  98           HA       VAL  98  -1.520   4.778   5.936
  542    HB   VAL  98           HB       VAL  98  -0.517   2.570   7.052
  543   HG11  VAL  98          1HG1      VAL  98   1.406   2.544   8.191
  544   HG12  VAL  98          2HG1      VAL  98   1.827   2.770   6.500
  545   HG13  VAL  98          3HG1      VAL  98   1.938   4.112   7.701
  546   HG21  VAL  98          3HG2      VAL  98  -1.980   3.948   7.999
  547   HG22  VAL  98          1HG2      VAL  98  -0.671   3.633   9.155
  548   HG23  VAL  98          2HG2      VAL  98  -0.755   5.222   8.331
  549    H    TYR  99           H        TYR  99   1.348   5.407   6.917
  550    HA   TYR  99           HA       TYR  99   2.253   7.174   4.686
  551    HD1  TYR  99           HD2      TYR  99   0.420   8.297   5.040
  552    HD2  TYR  99           HD1      TYR  99   1.862   9.051   9.039
  553    HE1  TYR  99           HE2      TYR  99  -1.464   9.813   5.415
  554    HE2  TYR  99           HE1      TYR  99  -0.092  10.537   9.444
  555    HH   TYR  99           HH       TYR  99  -2.563  11.175   6.927
  556    HB2  TYR  99           2HB      TYR  99   2.829   7.233   7.672
  557    HB3  TYR  99           3HB      TYR  99   3.333   8.431   6.481
  558    H    SER 100           H        SER 100   2.723   4.199   5.235
  559    HA   SER 100           HA       SER 100   4.117   2.667   5.873
  560    HG   SER 100           HG       SER 100   6.279   1.670   4.733
  561    HB2  SER 100           2HB      SER 100   3.996   2.501   3.585
  562    HB3  SER 100           3HB      SER 100   5.173   3.728   3.446
  563    H    LYS 101           H        LYS 101   5.763   5.497   6.585
  564    HA   LYS 101           HA       LYS 101   7.668   6.148   7.476
  565    HB2  LYS 101           2HB      LYS 101   8.537   5.190   9.409
  566    HB3  LYS 101           3HB      LYS 101   6.798   5.034   9.464
  567    HG2  LYS 101           2HG      LYS 101   8.323   2.662   8.405
  568    HG3  LYS 101           3HG      LYS 101   8.569   3.066  10.097
  569    HD2  LYS 101           2HD      LYS 101   6.244   2.856  10.639
  570    HD3  LYS 101           3HD      LYS 101   5.780   2.700   8.933
  571    HE2  LYS 101           2HE      LYS 101   7.040   0.608   8.740
  572    HE3  LYS 101           3HE      LYS 101   7.608   0.753  10.412
  573    HZ1  LYS 101           3HZ      LYS 101   4.757   0.460   9.595
  574    HZ2  LYS 101           1HZ      LYS 101   5.667  -0.731  10.231
  575    HZ3  LYS 101           2HZ      LYS 101   5.287   0.575  11.140
  576    H    LEU 102           H        LEU 102   8.053   3.538   5.415
  577    HA   LEU 102           HA       LEU 102  10.910   3.528   5.230
  578    HG   LEU 102           HG       LEU 102  11.190   3.188   2.266
  579    HB2  LEU 102           2HB      LEU 102   9.319   1.839   4.254
  580    HB3  LEU 102           3HB      LEU 102   8.772   3.053   3.105
  581   HD11  LEU 102          1HD1      LEU 102  12.322   2.133   4.214
  582   HD12  LEU 102          2HD1      LEU 102  11.449   0.623   3.898
  583   HD13  LEU 102          3HD1      LEU 102  12.633   1.236   2.728
  584   HD21  LEU 102          3HD2      LEU 102   9.405   1.925   1.083
  585   HD22  LEU 102          1HD2      LEU 102  10.988   1.156   0.916
  586   HD23  LEU 102          2HD2      LEU 102   9.795   0.488   2.052
  587    HA   PRO 103           HA       PRO 103  10.934   7.759   3.632
  588    HB2  PRO 103           2HB      PRO 103  13.560   8.367   3.800
  589    HB3  PRO 103           3HB      PRO 103  12.596   7.984   5.253
  590    HG2  PRO 103           2HG      PRO 103  14.370   6.095   3.657
  591    HG3  PRO 103           3HG      PRO 103  14.402   6.405   5.426
  592    HD2  PRO 103           2HD      PRO 103  13.019   4.314   4.325
  593    HD3  PRO 103           3HD      PRO 103  12.429   5.184   5.773
  594    H    ALA 104           H        ALA 104  12.178   5.160   1.803
  595    HA   ALA 104           HA       ALA 104  12.762   6.847  -0.591
  596    HB1  ALA 104           1HB      ALA 104  14.362   4.474   0.464
  597    HB2  ALA 104           2HB      ALA 104  14.670   5.347  -1.045
  598    HB3  ALA 104           3HB      ALA 104  14.872   6.178   0.504
  Start of MODEL    7
    1    H    GLU  28           H        GLU  28   5.772  13.234  11.865
    2    HA   GLU  28           HA       GLU  28   5.029  14.087   9.814
    3    HB2  GLU  28           2HB      GLU  28   7.877  15.091   9.612
    4    HB3  GLU  28           3HB      GLU  28   6.929  14.822   8.155
    5    HG2  GLU  28           2HG      GLU  28   6.907  17.191   9.073
    6    HG3  GLU  28           3HG      GLU  28   5.360  16.471   8.638
    7    H    LEU  29           H        LEU  29   5.089  12.963   7.760
    8    HA   LEU  29           HA       LEU  29   6.851  10.647   7.436
    9    HG   LEU  29           HG       LEU  29   4.561   7.930   8.587
   10    HB2  LEU  29           2HB      LEU  29   4.484  10.330   8.945
   11    HB3  LEU  29           3HB      LEU  29   3.984   9.872   7.358
   12   HD11  LEU  29          1HD1      LEU  29   6.138   6.738   7.298
   13   HD12  LEU  29          2HD1      LEU  29   5.485   7.931   6.205
   14   HD13  LEU  29          3HD1      LEU  29   7.081   8.203   6.909
   15   HD21  LEU  29          3HD2      LEU  29   5.978   8.982  10.286
   16   HD22  LEU  29          1HD2      LEU  29   6.710   7.506   9.617
   17   HD23  LEU  29          2HD2      LEU  29   7.303   9.101   9.108
   18    H    SER  30           H        SER  30   6.154   9.438   5.411
   19    HA   SER  30           HA       SER  30   6.225  10.911   3.132
   20    HG   SER  30           HG       SER  30   6.457   7.386   3.963
   21    HB2  SER  30           2HB      SER  30   4.726   8.288   3.314
   22    HB3  SER  30           3HB      SER  30   5.641   8.953   1.955
   23    H    ASN  31           H        ASN  31   3.299  10.529   4.935
   24    HA   ASN  31           HA       ASN  31   1.128  10.718   4.591
   25    HB2  ASN  31           2HB      ASN  31   0.338  12.735   3.376
   26    HB3  ASN  31           3HB      ASN  31   1.426  12.936   4.715
   27   HD21  ASN  31          1HD2      ASN  31   3.749  13.431   4.218
   28   HD22  ASN  31          2HD2      ASN  31   4.049  14.333   2.743
   29    H    THR  32           H        THR  32   2.662   9.457   1.856
   30    HA   THR  32           HA       THR  32   0.028   8.857   0.628
   31    HB   THR  32           HB       THR  32   0.844   9.369  -1.498
   32    HG1  THR  32           1HG      THR  32   2.847   9.641  -1.985
   33   HG21  THR  32          1HG2      THR  32   0.262  11.382  -0.071
   34   HG22  THR  32          2HG2      THR  32   2.009  11.624   0.140
   35   HG23  THR  32          3HG2      THR  32   1.296  11.679  -1.479
   36    H    ARG  33           H        ARG  33   1.497   6.668   2.168
   37    HA   ARG  33           HA       ARG  33   2.083   4.908  -0.165
   38    HE   ARG  33           HE       ARG  33   6.233   6.993  -1.464
   39    HB2  ARG  33           2HB      ARG  33   4.049   5.347   2.060
   40    HB3  ARG  33           3HB      ARG  33   4.025   3.922   1.043
   41    HG2  ARG  33           2HG      ARG  33   5.527   4.855  -0.129
   42    HG3  ARG  33           3HG      ARG  33   4.172   5.676  -0.918
   43    HD2  ARG  33           2HD      ARG  33   4.552   7.656   0.481
   44    HD3  ARG  33           3HD      ARG  33   5.766   6.747   1.435
   45   HH11  ARG  33          1HH1      ARG  33   7.468   8.059   1.703
   46   HH12  ARG  33          2HH1      ARG  33   8.945   8.574   0.943
   47   HH21  ARG  33          1HH2      ARG  33   7.993   7.542  -2.206
   48   HH22  ARG  33          2HH2      ARG  33   9.262   8.318  -1.253
   49    H    LEU  34           H        LEU  34   1.549   2.984  -0.089
   50    HA   LEU  34           HA       LEU  34   0.300   2.005   2.387
   51    HG   LEU  34           HG       LEU  34  -2.398   2.440  -0.169
   52    HB2  LEU  34           2HB      LEU  34  -0.265   0.990  -0.310
   53    HB3  LEU  34           3HB      LEU  34  -1.275   0.887   1.079
   54   HD11  LEU  34          1HD1      LEU  34  -2.451   4.530   0.820
   55   HD12  LEU  34          2HD1      LEU  34  -1.852   3.477   2.091
   56   HD13  LEU  34          3HD1      LEU  34  -0.749   4.547   1.220
   57   HD21  LEU  34          3HD2      LEU  34   0.177   3.056  -1.369
   58   HD22  LEU  34          1HD2      LEU  34  -1.423   3.126  -2.049
   59   HD23  LEU  34          2HD2      LEU  34  -0.775   4.502  -1.131
   60    H    PHE  35           H        PHE  35   1.386   0.630   3.488
   61    HA   PHE  35           HA       PHE  35   3.564  -0.925   2.256
   62    HD1  PHE  35           HD1      PHE  35   5.043  -2.377   2.956
   63    HD2  PHE  35           HD2      PHE  35   4.971  -0.188   6.681
   64    HE1  PHE  35           HE1      PHE  35   6.864  -3.787   3.816
   65    HE2  PHE  35           HE2      PHE  35   6.848  -1.574   7.499
   66    HZ   PHE  35           HZ       PHE  35   7.803  -3.372   6.073
   67    HB2  PHE  35           2HB      PHE  35   4.269   0.591   3.829
   68    HB3  PHE  35           3HB      PHE  35   3.232   0.277   5.016
   69    H    VAL  36           H        VAL  36   2.822  -2.611   1.558
   70    HA   VAL  36           HA       VAL  36   0.625  -4.146   2.881
   71    HB   VAL  36           HB       VAL  36   1.104  -2.917   0.178
   72   HG11  VAL  36          1HG1      VAL  36  -0.908  -3.678  -0.695
   73   HG12  VAL  36          2HG1      VAL  36   0.243  -4.985  -0.491
   74   HG13  VAL  36          3HG1      VAL  36  -1.132  -4.796   0.666
   75   HG21  VAL  36          3HG2      VAL  36  -0.129  -1.685   2.135
   76   HG22  VAL  36          1HG2      VAL  36  -1.071  -1.828   0.682
   77   HG23  VAL  36          2HG2      VAL  36  -1.361  -2.954   2.032
   78    H    ARG  37           H        ARG  37   2.111  -5.368   3.795
   79    HA   ARG  37           HA       ARG  37   3.723  -7.256   2.143
   80    HE   ARG  37           HE       ARG  37   6.544  -5.056   7.653
   81    HB2  ARG  37           2HB      ARG  37   5.239  -7.364   4.096
   82    HB3  ARG  37           3HB      ARG  37   5.170  -5.786   3.357
   83    HG2  ARG  37           2HG      ARG  37   4.220  -4.787   5.171
   84    HG3  ARG  37           3HG      ARG  37   3.335  -6.244   5.684
   85    HD2  ARG  37           2HD      ARG  37   5.152  -7.210   6.712
   86    HD3  ARG  37           3HD      ARG  37   6.333  -6.353   5.759
   87   HH11  ARG  37          1HH1      ARG  37   2.972  -5.195   7.352
   88   HH12  ARG  37          2HH1      ARG  37   2.898  -3.836   8.470
   89   HH21  ARG  37          1HH2      ARG  37   6.156  -3.478   9.001
   90   HH22  ARG  37          2HH2      ARG  37   4.475  -2.985   9.301
   91    HA   PRO  38           HA       PRO  38   1.408  -9.919   5.630
   92    HB2  PRO  38           2HB      PRO  38  -1.038  -9.342   3.895
   93    HB3  PRO  38           3HB      PRO  38  -1.016 -10.056   5.523
   94    HG2  PRO  38           2HG      PRO  38  -1.395  -7.450   5.408
   95    HG3  PRO  38           3HG      PRO  38  -0.036  -7.959   6.431
   96    HD2  PRO  38           2HD      PRO  38   0.109  -7.010   3.571
   97    HD3  PRO  38           3HD      PRO  38   1.075  -6.508   4.997
   98    H    PHE  39           H        PHE  39   1.261  -9.796   2.134
   99    HA   PHE  39           HA       PHE  39   0.261 -12.464   1.739
  100    HD1  PHE  39           HD2      PHE  39   1.605  -8.648   0.663
  101    HD2  PHE  39           HD1      PHE  39  -1.875 -10.866  -0.573
  102    HE1  PHE  39           HE2      PHE  39   0.229  -6.638   0.858
  103    HE2  PHE  39           HE1      PHE  39  -3.181  -8.749  -0.690
  104    HZ   PHE  39           HZ       PHE  39  -2.157  -6.635   0.050
  105    HB2  PHE  39           2HB      PHE  39   1.675 -10.926  -0.431
  106    HB3  PHE  39           3HB      PHE  39   0.240 -11.915  -0.527
  107    HA   PRO  40           HA       PRO  40   4.242 -14.212   0.563
  108    HB2  PRO  40           2HB      PRO  40   3.472 -16.473  -0.826
  109    HB3  PRO  40           3HB      PRO  40   3.201 -16.341   0.932
  110    HG2  PRO  40           2HG      PRO  40   1.235 -15.705  -1.300
  111    HG3  PRO  40           3HG      PRO  40   0.966 -16.741   0.135
  112    HD2  PRO  40           2HD      PRO  40   0.219 -14.104  -0.003
  113    HD3  PRO  40           3HD      PRO  40   0.747 -14.867   1.532
  114    H    LEU  41           H        LEU  41   5.120 -15.172  -1.740
  115    HA   LEU  41           HA       LEU  41   5.303 -12.967  -3.495
  116    HG   LEU  41           HG       LEU  41   7.764 -13.420  -3.678
  117    HB2  LEU  41           2HB      LEU  41   6.015 -15.910  -3.787
  118    HB3  LEU  41           3HB      LEU  41   6.304 -14.727  -5.057
  119   HD11  LEU  41          1HD1      LEU  41   7.043 -13.838  -1.393
  120   HD12  LEU  41          2HD1      LEU  41   7.400 -15.580  -1.563
  121   HD13  LEU  41          3HD1      LEU  41   8.707 -14.380  -1.564
  122   HD21  LEU  41          3HD2      LEU  41   8.528 -16.360  -3.745
  123   HD22  LEU  41          1HD2      LEU  41   8.651 -15.216  -5.101
  124   HD23  LEU  41          2HD2      LEU  41   9.650 -14.981  -3.661
  125    H    ASP  42           H        ASP  42   2.751 -15.234  -3.364
  126    HA   ASP  42           HA       ASP  42   1.731 -15.156  -6.006
  127    HB2  ASP  42           2HB      ASP  42   0.221 -15.342  -3.382
  128    HB3  ASP  42           3HB      ASP  42  -0.368 -15.821  -4.972
  129    H    VAL  43           H        VAL  43   1.682 -12.590  -3.520
  130    HA   VAL  43           HA       VAL  43  -0.402 -11.033  -4.837
  131    HB   VAL  43           HB       VAL  43   0.355 -10.606  -2.497
  132   HG11  VAL  43          1HG1      VAL  43   2.831 -10.555  -2.955
  133   HG12  VAL  43          2HG1      VAL  43   2.598  -9.011  -3.799
  134   HG13  VAL  43          3HG1      VAL  43   2.230  -9.138  -2.071
  135   HG21  VAL  43          3HG2      VAL  43  -0.014  -8.201  -2.573
  136   HG22  VAL  43          1HG2      VAL  43   0.298  -8.149  -4.309
  137   HG23  VAL  43          2HG2      VAL  43  -1.104  -9.024  -3.683
  138    H    GLN  44           H        GLN  44  -0.092  -9.168  -6.133
  139    HA   GLN  44           HA       GLN  44   2.280  -8.262  -7.253
  140    HB2  GLN  44           2HB      GLN  44   1.970  -9.185  -9.668
  141    HB3  GLN  44           3HB      GLN  44   2.827 -10.092  -8.480
  142    HG2  GLN  44           2HG      GLN  44   0.231 -11.162  -8.237
  143    HG3  GLN  44           3HG      GLN  44   0.349 -10.758  -9.943
  144   HE21  GLN  44          1HE2      GLN  44   2.565 -12.170  -7.404
  145   HE22  GLN  44          2HE2      GLN  44   3.071 -13.510  -8.414
  146    H    GLU  45           H        GLU  45   1.687  -7.153  -9.512
  147    HA   GLU  45           HA       GLU  45   0.090  -5.014  -8.796
  148    HB2  GLU  45           2HB      GLU  45   1.824  -5.088 -10.573
  149    HB3  GLU  45           3HB      GLU  45   0.745  -6.054 -11.581
  150    HG2  GLU  45           2HG      GLU  45   0.736  -3.779 -12.346
  151    HG3  GLU  45           3HG      GLU  45  -0.848  -4.160 -11.696
  152    H    SER  46           H        SER  46  -1.103  -8.043 -10.300
  153    HA   SER  46           HA       SER  46  -3.702  -6.998 -10.982
  154    HG   SER  46           HG       SER  46  -2.605 -10.922 -10.725
  155    HB2  SER  46           2HB      SER  46  -4.312  -9.463 -11.004
  156    HB3  SER  46           3HB      SER  46  -2.963  -9.000 -12.055
  157    H    GLU  47           H        GLU  47  -2.365  -8.164  -7.883
  158    HA   GLU  47           HA       GLU  47  -5.010  -8.683  -6.629
  159    HB2  GLU  47           2HB      GLU  47  -2.069  -9.012  -5.942
  160    HB3  GLU  47           3HB      GLU  47  -3.143  -8.598  -4.658
  161    HG2  GLU  47           3HG      GLU  47  -4.561 -10.577  -5.627
  162    HG3  GLU  47           2HG      GLU  47  -2.982 -11.127  -6.295
  163    H    LEU  48           H        LEU  48  -2.231  -6.478  -6.652
  164    HA   LEU  48           HA       LEU  48  -3.316  -4.548  -4.821
  165    HG   LEU  48           HG       LEU  48  -1.053  -5.895  -4.633
  166    HB2  LEU  48           2HB      LEU  48  -1.187  -4.390  -6.978
  167    HB3  LEU  48           3HB      LEU  48  -1.493  -3.177  -5.844
  168   HD11  LEU  48          1HD1      LEU  48   1.245  -6.064  -4.916
  169   HD12  LEU  48          2HD1      LEU  48   0.719  -5.626  -6.547
  170   HD13  LEU  48          3HD1      LEU  48   1.415  -4.405  -5.492
  171   HD21  LEU  48          3HD2      LEU  48   0.234  -3.206  -4.149
  172   HD22  LEU  48          1HD2      LEU  48  -1.277  -3.741  -3.400
  173   HD23  LEU  48          2HD2      LEU  48   0.202  -4.647  -3.063
  174    H    ASN  49           H        ASN  49  -3.592  -5.007  -8.373
  175    HA   ASN  49           HA       ASN  49  -5.175  -2.633  -8.825
  176    HB2  ASN  49           2HB      ASN  49  -4.734  -5.169 -10.354
  177    HB3  ASN  49           3HB      ASN  49  -6.244  -4.344 -10.670
  178   HD21  ASN  49          2HD2      ASN  49  -2.743  -3.617 -10.427
  179   HD22  ASN  49          1HD2      ASN  49  -2.774  -2.486 -11.767
  180    H    GLU  50           H        GLU  50  -6.236  -5.974  -7.994
  181    HA   GLU  50           HA       GLU  50  -9.037  -5.484  -7.940
  182    HB2  GLU  50           2HB      GLU  50  -7.192  -7.394  -6.529
  183    HB3  GLU  50           3HB      GLU  50  -8.898  -7.354  -6.093
  184    HG2  GLU  50           2HG      GLU  50  -9.524  -7.794  -8.444
  185    HG3  GLU  50           3HG      GLU  50  -7.838  -7.755  -8.943
  186    H    ILE  51           H        ILE  51  -6.597  -4.914  -5.418
  187    HA   ILE  51           HA       ILE  51  -8.616  -4.128  -3.429
  188    HB   ILE  51           HB       ILE  51  -5.625  -4.298  -3.511
  189   HG12  ILE  51          2HG1      ILE  51  -7.525  -6.032  -1.899
  190   HG13  ILE  51          3HG1      ILE  51  -6.981  -6.445  -3.517
  191   HG21  ILE  51          1HG2      ILE  51  -6.191  -2.532  -1.857
  192   HG22  ILE  51          2HG2      ILE  51  -7.420  -3.596  -1.147
  193   HG23  ILE  51          3HG2      ILE  51  -5.687  -3.977  -0.996
  194   HD11  ILE  51          3HD1      ILE  51  -5.247  -6.203  -1.043
  195   HD12  ILE  51          1HD1      ILE  51  -5.524  -7.612  -2.077
  196   HD13  ILE  51          2HD1      ILE  51  -4.576  -6.256  -2.691
  197    H    PHE  52           H        PHE  52  -6.118  -2.392  -5.354
  198    HA   PHE  52           HA       PHE  52  -6.684   0.154  -3.993
  199    HD1  PHE  52           HD2      PHE  52  -4.478  -2.633  -3.973
  200    HD2  PHE  52           HD1      PHE  52  -3.626   1.515  -3.235
  201    HE1  PHE  52           HE2      PHE  52  -2.962  -3.304  -2.173
  202    HE2  PHE  52           HE1      PHE  52  -1.934   0.822  -1.604
  203    HZ   PHE  52           HZ       PHE  52  -1.428  -1.598  -1.270
  204    HB2  PHE  52           2HB      PHE  52  -4.539  -0.691  -5.837
  205    HB3  PHE  52           3HB      PHE  52  -4.708   0.926  -5.203
  206    H    GLY  53           H        GLY  53  -7.180  -1.367  -7.130
  207    HA2  GLY  53           2HA      GLY  53  -7.544   0.780  -8.892
  208    HA3  GLY  53           3HA      GLY  53  -8.443  -0.741  -8.911
  209    HA   PRO  54           HA       PRO  54 -12.060   1.334  -7.043
  210    HB2  PRO  54           2HB      PRO  54 -11.405   0.850  -4.146
  211    HB3  PRO  54           3HB      PRO  54 -12.933   0.544  -5.026
  212    HG2  PRO  54           2HG      PRO  54 -11.294  -1.513  -4.396
  213    HG3  PRO  54           3HG      PRO  54 -12.024  -1.443  -6.040
  214    HD2  PRO  54           2HD      PRO  54  -9.318  -0.424  -5.152
  215    HD3  PRO  54           3HD      PRO  54  -9.626  -1.586  -6.458
  216    H    PHE  55           H        PHE  55  -8.969   2.204  -5.449
  217    HA   PHE  55           HA       PHE  55  -9.975   4.759  -4.440
  218    HD1  PHE  55           HD1      PHE  55  -9.997   2.826  -2.890
  219    HD2  PHE  55           HD2      PHE  55  -5.731   2.974  -3.241
  220    HE1  PHE  55           HE1      PHE  55  -9.831   0.760  -1.535
  221    HE2  PHE  55           HE2      PHE  55  -5.546   1.040  -1.614
  222    HZ   PHE  55           HZ       PHE  55  -7.618  -0.114  -0.882
  223    HB2  PHE  55           2HB      PHE  55  -7.053   4.087  -4.734
  224    HB3  PHE  55           3HB      PHE  55  -7.833   5.132  -3.602
  225    H    GLY  56           H        GLY  56  -7.709   3.644  -6.978
  226    HA2  GLY  56           2HA      GLY  56  -8.438   4.533  -9.148
  227    HA3  GLY  56           3HA      GLY  56  -8.343   6.147  -8.453
  228    HA   PRO  57           HA       PRO  57  -4.667   6.964 -10.193
  229    HB2  PRO  57           2HB      PRO  57  -2.938   8.157  -8.386
  230    HB3  PRO  57           3HB      PRO  57  -4.443   8.883  -9.023
  231    HG2  PRO  57           2HG      PRO  57  -4.040   7.405  -6.420
  232    HG3  PRO  57           3HG      PRO  57  -4.913   8.944  -6.701
  233    HD2  PRO  57           2HD      PRO  57  -6.219   6.569  -6.483
  234    HD3  PRO  57           3HD      PRO  57  -6.770   7.829  -7.627
  235    H    MET  58           H        MET  58  -3.783   4.993  -7.459
  236    HA   MET  58           HA       MET  58  -1.758   3.842  -6.941
  237    HB2  MET  58           2HB      MET  58  -2.234   2.588  -9.584
  238    HB3  MET  58           3HB      MET  58  -1.656   1.850  -8.104
  239    HG2  MET  58           2HG      MET  58  -3.954   2.202  -7.089
  240    HG3  MET  58           3HG      MET  58  -4.521   2.737  -8.673
  241    HE1  MET  58           3HE      MET  58  -3.044  -1.476  -7.573
  242    HE2  MET  58           1HE      MET  58  -1.886  -0.318  -8.257
  243    HE3  MET  58           2HE      MET  58  -2.716   0.066  -6.736
  244    H    LYS  59           H        LYS  59  -0.797   6.035  -7.623
  245    HA   LYS  59           HA       LYS  59   0.556   6.493  -9.932
  246    HB2  LYS  59           2HB      LYS  59  -0.098   7.903  -7.875
  247    HB3  LYS  59           3HB      LYS  59   1.402   7.324  -7.144
  248    HG2  LYS  59           2HG      LYS  59   1.313   8.848  -9.744
  249    HG3  LYS  59           3HG      LYS  59   1.289   9.578  -8.142
  250    HD2  LYS  59           2HD      LYS  59   3.563   8.140  -9.455
  251    HD3  LYS  59           3HD      LYS  59   3.387   9.743  -8.763
  252    HE2  LYS  59           2HE      LYS  59   3.529   9.021  -6.549
  253    HE3  LYS  59           3HE      LYS  59   3.432   7.303  -7.010
  254    HZ1  LYS  59           3HZ      LYS  59   5.719   8.024  -6.541
  255    HZ2  LYS  59           1HZ      LYS  59   5.607   7.462  -8.049
  256    HZ3  LYS  59           2HZ      LYS  59   5.680   9.082  -7.795
  257    H    GLU  60           H        GLU  60   1.517   4.509  -7.266
  258    HA   GLU  60           HA       GLU  60   3.455   3.176  -8.856
  259    HB2  GLU  60           2HB      GLU  60   4.579   5.319  -7.263
  260    HB3  GLU  60           3HB      GLU  60   5.054   3.795  -6.506
  261    HG2  GLU  60           2HG      GLU  60   6.052   2.993  -8.545
  262    HG3  GLU  60           3HG      GLU  60   5.387   4.338  -9.482
  263    H    VAL  61           H        VAL  61   4.367   1.374  -7.993
  264    HA   VAL  61           HA       VAL  61   2.975   0.117  -5.730
  265    HB   VAL  61           HB       VAL  61   2.736  -1.087  -8.534
  266   HG11  VAL  61          1HG1      VAL  61   0.749  -1.422  -6.281
  267   HG12  VAL  61          2HG1      VAL  61   1.100  -2.481  -7.655
  268   HG13  VAL  61          3HG1      VAL  61   2.275  -2.336  -6.320
  269   HG21  VAL  61          3HG2      VAL  61   1.574   0.960  -8.950
  270   HG22  VAL  61          1HG2      VAL  61   0.397  -0.327  -8.767
  271   HG23  VAL  61          2HG2      VAL  61   0.638   0.816  -7.449
  272    H    LYS  62           H        LYS  62   5.191   0.364  -5.117
  273    HA   LYS  62           HA       LYS  62   7.315  -0.951  -6.628
  274    HB2  LYS  62           2HB      LYS  62   7.306  -0.166  -3.691
  275    HB3  LYS  62           3HB      LYS  62   8.690  -0.395  -4.736
  276    HG2  LYS  62           2HG      LYS  62   7.771   1.617  -6.120
  277    HG3  LYS  62           3HG      LYS  62   6.594   1.834  -4.823
  278    HD2  LYS  62           2HD      LYS  62   8.161   3.304  -4.057
  279    HD3  LYS  62           3HD      LYS  62   8.733   1.844  -3.253
  280    HE2  LYS  62           2HE      LYS  62  10.713   2.589  -4.199
  281    HE3  LYS  62           3HE      LYS  62  10.142   1.500  -5.470
  282    HZ1  LYS  62           3HZ      LYS  62  10.798   3.629  -6.426
  283    HZ2  LYS  62           1HZ      LYS  62   9.169   3.563  -6.561
  284    HZ3  LYS  62           2HZ      LYS  62   9.845   4.467  -5.401
  285    H    ILE  63           H        ILE  63   7.430  -3.128  -6.768
  286    HA   ILE  63           HA       ILE  63   6.312  -4.802  -4.560
  287    HB   ILE  63           HB       ILE  63   6.017  -5.135  -7.552
  288   HG12  ILE  63          2HG1      ILE  63   3.814  -5.208  -5.445
  289   HG13  ILE  63          3HG1      ILE  63   4.403  -3.672  -6.036
  290   HG21  ILE  63          1HG2      ILE  63   6.496  -7.377  -6.653
  291   HG22  ILE  63          2HG2      ILE  63   5.312  -7.145  -5.350
  292   HG23  ILE  63          3HG2      ILE  63   4.785  -7.267  -7.044
  293   HD11  ILE  63          3HD1      ILE  63   3.124  -5.830  -7.745
  294   HD12  ILE  63          1HD1      ILE  63   2.454  -4.257  -7.323
  295   HD13  ILE  63          2HD1      ILE  63   3.857  -4.329  -8.384
  296    H    LEU  64           H        LEU  64   7.444  -6.176  -3.654
  297    HA   LEU  64           HA       LEU  64  10.110  -7.060  -4.691
  298    HG   LEU  64           HG       LEU  64  11.384  -4.761  -3.789
  299    HB2  LEU  64           2HB      LEU  64   9.354  -6.008  -1.937
  300    HB3  LEU  64           3HB      LEU  64  10.897  -6.699  -2.397
  301   HD11  LEU  64          1HD1      LEU  64   9.588  -3.626  -4.615
  302   HD12  LEU  64          2HD1      LEU  64   8.630  -3.805  -3.132
  303   HD13  LEU  64          3HD1      LEU  64   9.946  -2.615  -3.235
  304   HD21  LEU  64          3HD2      LEU  64  11.598  -3.185  -1.857
  305   HD22  LEU  64          1HD2      LEU  64  10.573  -4.321  -0.938
  306   HD23  LEU  64          2HD2      LEU  64  12.136  -4.851  -1.559
  307    H    ASN  65           H        ASN  65   9.457  -9.155  -5.053
  308    HA   ASN  65           HA       ASN  65   8.628 -11.268  -4.739
  309    HB2  ASN  65           2HB      ASN  65  10.001 -10.796  -2.053
  310    HB3  ASN  65           3HB      ASN  65   9.519 -12.373  -2.659
  311   HD21  ASN  65          1HD2      ASN  65  12.076 -10.162  -2.578
  312   HD22  ASN  65          2HD2      ASN  65  13.015 -10.885  -3.880
  313    H    GLY  66           H        GLY  66   8.052 -10.965  -1.339
  314    HA2  GLY  66           2HA      GLY  66   5.165 -11.464  -1.640
  315    HA3  GLY  66           3HA      GLY  66   6.108 -11.511  -0.157
  316    H    PHE  67           H        PHE  67   6.975  -8.563  -1.424
  317    HA   PHE  67           HA       PHE  67   4.903  -7.213   0.247
  318    HD1  PHE  67           HD1      PHE  67   5.829  -8.213   2.241
  319    HD2  PHE  67           HD2      PHE  67   9.595  -7.485   0.301
  320    HE1  PHE  67           HE1      PHE  67   6.892  -9.802   3.788
  321    HE2  PHE  67           HE2      PHE  67  10.659  -9.202   1.758
  322    HZ   PHE  67           HZ       PHE  67   9.329 -10.346   3.527
  323    HB2  PHE  67           2HB      PHE  67   7.709  -6.272  -0.360
  324    HB3  PHE  67           3HB      PHE  67   6.667  -5.802   0.970
  325    H    ALA  68           H        ALA  68   4.162  -5.255  -0.223
  326    HA   ALA  68           HA       ALA  68   4.778  -3.914  -2.829
  327    HB1  ALA  68           1HB      ALA  68   2.721  -5.226  -3.043
  328    HB2  ALA  68           2HB      ALA  68   2.061  -4.385  -1.628
  329    HB3  ALA  68           3HB      ALA  68   2.441  -3.471  -3.104
  330    H    PHE  69           H        PHE  69   5.080  -1.868  -2.680
  331    HA   PHE  69           HA       PHE  69   4.202  -0.351  -0.305
  332    HD1  PHE  69           HD2      PHE  69   7.280  -2.200  -1.979
  333    HD2  PHE  69           HD1      PHE  69   7.140  -0.258   1.853
  334    HE1  PHE  69           HE2      PHE  69   8.445  -4.110  -0.977
  335    HE2  PHE  69           HE1      PHE  69   8.567  -2.066   2.790
  336    HZ   PHE  69           HZ       PHE  69   9.266  -4.007   1.312
  337    HB2  PHE  69           2HB      PHE  69   6.803   0.337  -1.662
  338    HB3  PHE  69           3HB      PHE  69   6.216   0.853  -0.099
  339    H    VAL  70           H        VAL  70   2.432   0.088  -1.429
  340    HA   VAL  70           HA       VAL  70   2.539   1.264  -4.128
  341    HB   VAL  70           HB       VAL  70   0.090   1.096  -2.379
  342   HG11  VAL  70          1HG1      VAL  70  -0.121   2.207  -4.653
  343   HG12  VAL  70          2HG1      VAL  70   0.446   0.631  -5.330
  344   HG13  VAL  70          3HG1      VAL  70  -1.082   0.712  -4.453
  345   HG21  VAL  70          3HG2      VAL  70   1.354  -0.985  -4.149
  346   HG22  VAL  70          1HG2      VAL  70   0.942  -1.180  -2.401
  347   HG23  VAL  70          2HG2      VAL  70  -0.353  -1.069  -3.614
  348    H    GLU  71           H        GLU  71   1.795   3.371  -4.585
  349    HA   GLU  71           HA       GLU  71   2.310   5.399  -2.459
  350    HB2  GLU  71           2HB      GLU  71   4.482   4.538  -3.525
  351    HB3  GLU  71           3HB      GLU  71   3.872   5.140  -5.063
  352    HG2  GLU  71           2HG      GLU  71   3.804   7.412  -4.323
  353    HG3  GLU  71           3HG      GLU  71   4.144   6.966  -2.658
  354    H    PHE  72           H        PHE  72   1.487   7.315  -2.919
  355    HA   PHE  72           HA       PHE  72   0.279   7.885  -5.586
  356    HD1  PHE  72           HD1      PHE  72  -1.803   6.464  -5.762
  357    HD2  PHE  72           HD2      PHE  72  -1.884   7.313  -1.547
  358    HE1  PHE  72           HE1      PHE  72  -3.121   4.385  -5.355
  359    HE2  PHE  72           HE2      PHE  72  -3.277   5.292  -1.175
  360    HZ   PHE  72           HZ       PHE  72  -3.820   3.803  -3.059
  361    HB2  PHE  72           2HB      PHE  72  -0.806   8.796  -2.926
  362    HB3  PHE  72           3HB      PHE  72  -1.531   8.968  -4.516
  363    H    GLU  73           H        GLU  73   0.219  10.126  -6.145
  364    HA   GLU  73           HA       GLU  73   2.570  11.585  -5.121
  365    HB2  GLU  73           2HB      GLU  73   2.243  13.099  -6.953
  366    HB3  GLU  73           3HB      GLU  73   2.338  11.418  -7.466
  367    HG2  GLU  73           2HG      GLU  73  -0.238  11.425  -7.563
  368    HG3  GLU  73           3HG      GLU  73  -0.164  13.160  -7.266
  369    H    GLU  74           H        GLU  74  -0.683  11.325  -4.198
  370    HA   GLU  74           HA       GLU  74  -0.548  13.854  -2.669
  371    HB2  GLU  74           2HB      GLU  74  -2.981  14.266  -3.259
  372    HB3  GLU  74           3HB      GLU  74  -1.781  14.626  -4.482
  373    HG2  GLU  74           2HG      GLU  74  -3.770  13.607  -5.463
  374    HG3  GLU  74           3HG      GLU  74  -2.328  12.649  -5.767
  375    H    ALA  75           H        ALA  75  -2.238  13.976  -0.976
  376    HA   ALA  75           HA       ALA  75  -2.022  11.495   0.565
  377    HB1  ALA  75           1HB      ALA  75  -2.537  12.948   2.447
  378    HB2  ALA  75           2HB      ALA  75  -1.261  13.655   1.444
  379    HB3  ALA  75           3HB      ALA  75  -2.925  14.288   1.348
  380    H    GLU  76           H        GLU  76  -4.563  12.629  -1.423
  381    HA   GLU  76           HA       GLU  76  -6.781  11.995   0.440
  382    HB2  GLU  76           2HB      GLU  76  -6.711  12.866  -2.476
  383    HB3  GLU  76           3HB      GLU  76  -8.187  12.431  -1.621
  384    HG2  GLU  76           2HG      GLU  76  -6.316  14.644  -0.680
  385    HG3  GLU  76           3HG      GLU  76  -7.671  14.903  -1.766
  386    H    SER  77           H        SER  77  -5.236  10.576  -2.486
  387    HA   SER  77           HA       SER  77  -6.838   8.177  -2.468
  388    HG   SER  77           HG       SER  77  -4.503   6.312  -3.730
  389    HB2  SER  77           2HB      SER  77  -5.346   8.798  -4.358
  390    HB3  SER  77           3HB      SER  77  -3.967   8.342  -3.365
  391    H    ALA  78           H        ALA  78  -3.924   9.151  -0.672
  392    HA   ALA  78           HA       ALA  78  -3.554   6.603   0.602
  393    HB1  ALA  78           1HB      ALA  78  -1.916   8.474   0.357
  394    HB2  ALA  78           2HB      ALA  78  -2.743   9.318   1.677
  395    HB3  ALA  78           3HB      ALA  78  -1.986   7.729   1.976
  396    H    ALA  79           H        ALA  79  -5.250   9.597   1.754
  397    HA   ALA  79           HA       ALA  79  -6.235   8.643   4.193
  398    HB1  ALA  79           1HB      ALA  79  -7.577  10.527   2.218
  399    HB2  ALA  79           2HB      ALA  79  -7.953  10.369   3.947
  400    HB3  ALA  79           3HB      ALA  79  -6.366  10.976   3.444
  401    H    LYS  80           H        LYS  80  -7.907   8.394   0.984
  402    HA   LYS  80           HA       LYS  80  -9.947   6.740   2.172
  403    HB2  LYS  80           2HB      LYS  80 -10.828   6.340  -0.004
  404    HB3  LYS  80           3HB      LYS  80 -10.315   8.036   0.084
  405    HG2  LYS  80           2HG      LYS  80  -8.266   7.415  -1.146
  406    HG3  LYS  80           3HG      LYS  80  -8.842   5.750  -1.313
  407    HD2  LYS  80           2HD      LYS  80 -10.374   6.329  -2.945
  408    HD3  LYS  80           3HD      LYS  80 -10.817   7.842  -2.157
  409    HE2  LYS  80           2HE      LYS  80  -8.773   8.928  -2.933
  410    HE3  LYS  80           3HE      LYS  80  -8.252   7.442  -3.752
  411    HZ1  LYS  80           3HZ      LYS  80 -10.015   7.639  -5.292
  412    HZ2  LYS  80           1HZ      LYS  80 -10.803   8.805  -4.430
  413    HZ3  LYS  80           2HZ      LYS  80  -9.394   9.135  -5.189
  414    H    ALA  81           H        ALA  81  -6.952   5.869   0.439
  415    HA   ALA  81           HA       ALA  81  -7.409   3.117   0.274
  416    HB1  ALA  81           1HB      ALA  81  -4.774   4.521   0.811
  417    HB2  ALA  81           2HB      ALA  81  -4.966   2.836   0.281
  418    HB3  ALA  81           3HB      ALA  81  -5.491   4.145  -0.772
  419    H    ILE  82           H        ILE  82  -5.957   5.010   2.988
  420    HA   ILE  82           HA       ILE  82  -5.640   3.018   4.885
  421    HB   ILE  82           HB       ILE  82  -6.451   5.904   5.282
  422   HG12  ILE  82          2HG1      ILE  82  -3.743   4.909   6.075
  423   HG13  ILE  82          3HG1      ILE  82  -4.025   5.070   4.349
  424   HG21  ILE  82          1HG2      ILE  82  -5.481   3.966   7.417
  425   HG22  ILE  82          2HG2      ILE  82  -5.681   5.712   7.629
  426   HG23  ILE  82          3HG2      ILE  82  -7.091   4.712   7.325
  427   HD11  ILE  82          3HD1      ILE  82  -4.763   7.403   4.727
  428   HD12  ILE  82          1HD1      ILE  82  -4.401   7.258   6.448
  429   HD13  ILE  82          2HD1      ILE  82  -3.087   7.138   5.237
  430    H    GLU  83           H        GLU  83  -8.533   5.161   4.578
  431    HA   GLU  83           HA       GLU  83 -10.047   3.672   6.490
  432    HB2  GLU  83           2HB      GLU  83 -10.925   5.539   4.273
  433    HB3  GLU  83           3HB      GLU  83 -11.994   4.924   5.547
  434    HG2  GLU  83           2HG      GLU  83  -9.485   6.614   6.005
  435    HG3  GLU  83           3HG      GLU  83 -11.145   7.183   6.050
  436    H    GLU  84           H        GLU  84  -9.523   2.995   3.117
  437    HA   GLU  84           HA       GLU  84 -11.782   1.176   2.734
  438    HB2  GLU  84           2HB      GLU  84  -9.243   1.768   1.172
  439    HB3  GLU  84           3HB      GLU  84 -10.392   0.548   0.666
  440    HG2  GLU  84           2HG      GLU  84 -11.387   3.355   1.128
  441    HG3  GLU  84           3HG      GLU  84 -10.457   3.001  -0.328
  442    H    VAL  85           H        VAL  85  -8.270   0.763   3.426
  443    HA   VAL  85           HA       VAL  85  -8.752  -2.116   4.035
  444    HB   VAL  85           HB       VAL  85  -8.537  -1.934   1.676
  445   HG11  VAL  85          1HG1      VAL  85  -6.363  -1.356   0.584
  446   HG12  VAL  85          2HG1      VAL  85  -7.248   0.008   1.284
  447   HG13  VAL  85          3HG1      VAL  85  -5.849  -0.659   2.122
  448   HG21  VAL  85          3HG2      VAL  85  -6.013  -3.258   2.647
  449   HG22  VAL  85          1HG2      VAL  85  -7.641  -3.954   2.842
  450   HG23  VAL  85          2HG2      VAL  85  -6.987  -3.654   1.227
  451    H    HIS  86           H        HIS  86  -7.062   0.612   5.128
  452    HA   HIS  86           HA       HIS  86  -4.761  -0.765   6.241
  453    HD1  HIS  86           HD1      HIS  86  -2.635   1.962   7.030
  454    HD2  HIS  86           HD2      HIS  86  -5.313   0.510   9.914
  455    HE1  HIS  86           HE1      HIS  86  -1.281   1.696   9.193
  456    HB2  HIS  86           2HB      HIS  86  -5.028   1.707   6.188
  457    HB3  HIS  86           3HB      HIS  86  -6.266   1.602   7.429
  458    H    GLY  87           H        GLY  87  -4.888  -2.506   7.588
  459    HA2  GLY  87           2HA      GLY  87  -4.973  -3.194   9.865
  460    HA3  GLY  87           3HA      GLY  87  -6.338  -2.118  10.166
  461    H    LYS  88           H        LYS  88  -6.958  -3.464   7.292
  462    HA   LYS  88           HA       LYS  88  -8.866  -5.544   8.140
  463    HB2  LYS  88           2HB      LYS  88  -7.904  -4.279   5.528
  464    HB3  LYS  88           3HB      LYS  88  -8.912  -5.646   5.549
  465    HG2  LYS  88           2HG      LYS  88 -10.270  -3.694   5.169
  466    HG3  LYS  88           3HG      LYS  88 -10.707  -4.344   6.755
  467    HD2  LYS  88           2HD      LYS  88  -9.616  -2.572   7.913
  468    HD3  LYS  88           3HD      LYS  88  -8.627  -2.171   6.510
  469    HE2  LYS  88           2HE      LYS  88 -10.752  -1.458   5.329
  470    HE3  LYS  88           3HE      LYS  88 -11.565  -1.573   6.893
  471    HZ1  LYS  88           3HZ      LYS  88  -9.964   0.068   7.757
  472    HZ2  LYS  88           1HZ      LYS  88  -9.210   0.170   6.322
  473    HZ3  LYS  88           2HZ      LYS  88 -10.752   0.685   6.449
  474    H    SER  89           H        SER  89  -8.448  -7.734   7.681
  475    HA   SER  89           HA       SER  89  -5.563  -8.419   7.474
  476    HG   SER  89           HG       SER  89  -6.192 -11.556   8.911
  477    HB2  SER  89           2HB      SER  89  -6.581  -9.329   9.325
  478    HB3  SER  89           3HB      SER  89  -7.888 -10.091   8.370
  479    H    PHE  90           H        PHE  90  -4.683  -8.842   5.654
  480    HA   PHE  90           HA       PHE  90  -6.222 -10.461   3.634
  481    HD1  PHE  90           HD1      PHE  90  -3.491 -10.947   1.462
  482    HD2  PHE  90           HD2      PHE  90  -6.766  -8.144   1.311
  483    HE1  PHE  90           HE1      PHE  90  -4.185 -11.865  -0.736
  484    HE2  PHE  90           HE2      PHE  90  -7.391  -8.995  -0.927
  485    HZ   PHE  90           HZ       PHE  90  -6.139 -10.903  -1.913
  486    HB2  PHE  90           2HB      PHE  90  -5.414  -8.168   3.108
  487    HB3  PHE  90           3HB      PHE  90  -3.776  -8.737   3.172
  488    H    ALA  91           H        ALA  91  -5.413 -12.280   2.837
  489    HA   ALA  91           HA       ALA  91  -4.523 -14.313   2.782
  490    HB1  ALA  91           1HB      ALA  91  -2.064 -14.492   2.706
  491    HB2  ALA  91           2HB      ALA  91  -2.682 -13.147   1.735
  492    HB3  ALA  91           3HB      ALA  91  -1.925 -12.824   3.306
  493    H    ASN  92           H        ASN  92  -3.012 -12.778   5.627
  494    HA   ASN  92           HA       ASN  92  -4.166 -14.729   7.452
  495    HB2  ASN  92           2HB      ASN  92  -2.120 -15.669   8.281
  496    HB3  ASN  92           3HB      ASN  92  -2.097 -15.899   6.543
  497   HD21  ASN  92          1HD2      ASN  92  -0.789 -14.162   5.281
  498   HD22  ASN  92          2HD2      ASN  92   0.614 -13.509   6.061
  499    H    GLN  93           H        GLN  93  -3.002 -11.534   6.883
  500    HA   GLN  93           HA       GLN  93  -3.154 -10.750   9.684
  501    HB2  GLN  93           2HB      GLN  93  -0.812 -10.092   9.943
  502    HB3  GLN  93           3HB      GLN  93  -0.921 -11.817   9.652
  503    HG2  GLN  93           2HG      GLN  93  -0.357 -11.381   7.232
  504    HG3  GLN  93           3HG      GLN  93  -0.177  -9.673   7.655
  505   HE21  GLN  93          1HE2      GLN  93   1.133 -12.927   8.459
  506   HE22  GLN  93          2HE2      GLN  93   2.779 -12.336   8.622
  507    HA   PRO  94           HA       PRO  94  -4.163  -7.118   7.724
  508    HB2  PRO  94           2HB      PRO  94  -3.731  -5.080   9.573
  509    HB3  PRO  94           3HB      PRO  94  -4.984  -6.343   9.773
  510    HG2  PRO  94           2HG      PRO  94  -2.142  -6.339  10.866
  511    HG3  PRO  94           3HG      PRO  94  -3.664  -6.651  11.765
  512    HD2  PRO  94           2HD      PRO  94  -2.120  -8.655  10.857
  513    HD3  PRO  94           3HD      PRO  94  -3.903  -8.769  10.717
  514    H    LEU  95           H        LEU  95  -3.907  -5.481   6.571
  515    HA   LEU  95           HA       LEU  95  -1.367  -4.802   5.400
  516    HG   LEU  95           HG       LEU  95  -3.973  -4.283   2.841
  517    HB2  LEU  95           2HB      LEU  95  -4.185  -3.636   5.326
  518    HB3  LEU  95           3HB      LEU  95  -2.887  -3.037   4.367
  519   HD11  LEU  95          1HD1      LEU  95  -2.822  -6.151   2.162
  520   HD12  LEU  95          2HD1      LEU  95  -1.615  -5.160   3.016
  521   HD13  LEU  95          3HD1      LEU  95  -2.350  -6.584   3.794
  522   HD21  LEU  95          3HD2      LEU  95  -5.229  -6.086   3.012
  523   HD22  LEU  95          1HD2      LEU  95  -4.591  -6.550   4.628
  524   HD23  LEU  95          2HD2      LEU  95  -5.635  -5.107   4.412
  525    H    GLU  96           H        GLU  96  -0.252  -2.810   5.431
  526    HA   GLU  96           HA       GLU  96  -0.900  -0.886   7.610
  527    HB2  GLU  96           2HB      GLU  96   0.984  -2.466   8.019
  528    HB3  GLU  96           3HB      GLU  96   1.884  -1.708   6.703
  529    HG2  GLU  96           2HG      GLU  96   1.812   0.444   7.840
  530    HG3  GLU  96           3HG      GLU  96   0.796  -0.222   9.125
  531    H    VAL  97           H        VAL  97  -2.153  -0.512   5.518
  532    HA   VAL  97           HA       VAL  97  -1.057   0.863   3.252
  533    HB   VAL  97           HB       VAL  97  -3.778   0.678   4.559
  534   HG11  VAL  97          1HG1      VAL  97  -4.843   1.330   2.467
  535   HG12  VAL  97          2HG1      VAL  97  -3.891   2.666   3.121
  536   HG13  VAL  97          3HG1      VAL  97  -3.297   1.708   1.748
  537   HG21  VAL  97          3HG2      VAL  97  -4.144  -1.223   3.298
  538   HG22  VAL  97          1HG2      VAL  97  -3.259  -0.604   1.879
  539   HG23  VAL  97          2HG2      VAL  97  -2.384  -1.292   3.231
  540    H    VAL  98           H        VAL  98   0.140   2.918   3.897
  541    HA   VAL  98           HA       VAL  98  -1.444   4.827   5.463
  542    HB   VAL  98           HB       VAL  98  -0.490   2.755   6.810
  543   HG11  VAL  98          1HG1      VAL  98   1.404   2.704   7.921
  544   HG12  VAL  98          2HG1      VAL  98   1.909   2.943   6.253
  545   HG13  VAL  98          3HG1      VAL  98   1.947   4.293   7.467
  546   HG21  VAL  98          3HG2      VAL  98  -0.658   4.030   8.800
  547   HG22  VAL  98          1HG2      VAL  98  -0.682   5.529   7.814
  548   HG23  VAL  98          2HG2      VAL  98  -1.937   4.259   7.587
  549    H    TYR  99           H        TYR  99   1.666   5.265   6.247
  550    HA   TYR  99           HA       TYR  99   2.408   7.019   3.956
  551    HD1  TYR  99           HD2      TYR  99   0.563   8.313   4.476
  552    HD2  TYR  99           HD1      TYR  99   2.070   8.423   8.516
  553    HE1  TYR  99           HE2      TYR  99  -1.580   9.289   5.234
  554    HE2  TYR  99           HE1      TYR  99  -0.086   9.406   9.280
  555    HH   TYR  99           HH       TYR  99  -2.796  10.055   7.024
  556    HB2  TYR  99           2HB      TYR  99   3.232   7.186   6.854
  557    HB3  TYR  99           3HB      TYR  99   3.458   8.419   5.624
  558    H    SER 100           H        SER 100   2.801   4.102   4.574
  559    HA   SER 100           HA       SER 100   4.198   2.510   5.133
  560    HG   SER 100           HG       SER 100   6.986   2.445   3.548
  561    HB2  SER 100           2HB      SER 100   4.199   2.373   2.838
  562    HB3  SER 100           3HB      SER 100   5.289   3.679   2.718
  563    H    LYS 101           H        LYS 101   4.809   2.843   7.147
  564    HA   LYS 101           HA       LYS 101   7.195   3.965   8.195
  565    HB2  LYS 101           2HB      LYS 101   5.236   3.174   9.490
  566    HB3  LYS 101           3HB      LYS 101   5.594   1.515   9.011
  567    HG2  LYS 101           2HG      LYS 101   7.803   1.686  10.236
  568    HG3  LYS 101           3HG      LYS 101   7.329   3.311  10.740
  569    HD2  LYS 101           2HD      LYS 101   6.524   2.279  12.568
  570    HD3  LYS 101           3HD      LYS 101   5.127   1.893  11.576
  571    HE2  LYS 101           2HE      LYS 101   7.548   0.093  12.090
  572    HE3  LYS 101           3HE      LYS 101   5.975  -0.022  12.879
  573    HZ1  LYS 101           3HZ      LYS 101   5.678  -1.529  11.254
  574    HZ2  LYS 101           1HZ      LYS 101   5.208  -0.257  10.346
  575    HZ3  LYS 101           2HZ      LYS 101   6.739  -0.915  10.226
  576    H    LEU 102           H        LEU 102   8.960   3.596   6.871
  577    HA   LEU 102           HA       LEU 102   9.902   1.289   5.744
  578    HG   LEU 102           HG       LEU 102  12.925   3.371   4.937
  579    HB2  LEU 102           2HB      LEU 102  10.710   3.707   5.622
  580    HB3  LEU 102           3HB      LEU 102  11.688   3.384   7.036
  581   HD11  LEU 102          1HD1      LEU 102  12.983   0.519   5.951
  582   HD12  LEU 102          2HD1      LEU 102  14.279   1.462   5.219
  583   HD13  LEU 102          3HD1      LEU 102  13.692   1.895   6.836
  584   HD21  LEU 102          3HD2      LEU 102  11.391   0.877   4.124
  585   HD22  LEU 102          1HD2      LEU 102  11.130   2.508   3.459
  586   HD23  LEU 102          2HD2      LEU 102  12.688   1.694   3.232
  587    HA   PRO 103           HA       PRO 103  12.268  -0.238   9.603
  588    HB2  PRO 103           2HB      PRO 103  11.586   0.511  12.142
  589    HB3  PRO 103           3HB      PRO 103  12.755   1.388  11.120
  590    HG2  PRO 103           2HG      PRO 103   9.815   2.007  11.516
  591    HG3  PRO 103           3HG      PRO 103  11.205   3.131  11.619
  592    HD2  PRO 103           2HD      PRO 103   9.733   2.943   9.380
  593    HD3  PRO 103           3HD      PRO 103  11.503   3.138   9.277
  594    H    ALA 104           H        ALA 104  11.112  -1.908   8.725
  595    HA   ALA 104           HA       ALA 104  10.351  -3.996   8.948
  596    HB1  ALA 104           1HB      ALA 104  11.160  -3.923  11.283
  597    HB2  ALA 104           2HB      ALA 104   9.550  -3.364  11.801
  598    HB3  ALA 104           3HB      ALA 104   9.734  -4.962  11.071
  Start of MODEL    8
    1    H    GLU  28           H        GLU  28   2.521  13.015   8.692
    2    HA   GLU  28           HA       GLU  28   5.214  14.180   9.009
    3    HB2  GLU  28           2HB      GLU  28   3.784  12.068  10.701
    4    HB3  GLU  28           3HB      GLU  28   5.478  12.515  10.841
    5    HG2  GLU  28           2HG      GLU  28   4.419  13.603  12.615
    6    HG3  GLU  28           3HG      GLU  28   4.801  14.856  11.433
    7    H    LEU  29           H        LEU  29   6.887  12.350   9.023
    8    HA   LEU  29           HA       LEU  29   7.955  10.514   8.252
    9    HG   LEU  29           HG       LEU  29   5.791   7.312   8.131
   10    HB2  LEU  29           2HB      LEU  29   5.838   9.554   9.319
   11    HB3  LEU  29           3HB      LEU  29   5.192   9.400   7.732
   12   HD11  LEU  29          1HD1      LEU  29   7.599   6.535   6.880
   13   HD12  LEU  29          2HD1      LEU  29   7.036   7.972   6.049
   14   HD13  LEU  29          3HD1      LEU  29   8.513   8.060   7.043
   15   HD21  LEU  29          3HD2      LEU  29   8.265   8.349   9.559
   16   HD22  LEU  29          1HD2      LEU  29   6.786   7.671  10.285
   17   HD23  LEU  29          2HD2      LEU  29   7.879   6.631   9.362
   18    H    SER  30           H        SER  30   5.210  10.809   6.093
   19    HA   SER  30           HA       SER  30   6.590  11.674   3.730
   20    HG   SER  30           HG       SER  30   7.973   9.618   4.280
   21    HB2  SER  30           2HB      SER  30   5.650   8.776   3.788
   22    HB3  SER  30           3HB      SER  30   5.992   9.679   2.302
   23    H    ASN  31           H        ASN  31   3.768  10.695   5.467
   24    HA   ASN  31           HA       ASN  31   1.608  11.138   5.379
   25    HB2  ASN  31           2HB      ASN  31   1.728  13.020   3.083
   26    HB3  ASN  31           3HB      ASN  31   0.753  13.066   4.517
   27   HD21  ASN  31          2HD2      ASN  31   3.775  14.009   3.073
   28   HD22  ASN  31          1HD2      ASN  31   4.252  15.068   4.398
   29    H    THR  32           H        THR  32   2.953   9.856   2.435
   30    HA   THR  32           HA       THR  32   0.215   9.194   1.444
   31    HB   THR  32           HB       THR  32   0.833   9.912  -0.733
   32    HG1  THR  32           1HG      THR  32   2.820  10.632  -1.241
   33   HG21  THR  32          1HG2      THR  32   1.974  12.112   0.982
   34   HG22  THR  32          2HG2      THR  32   1.090  12.242  -0.542
   35   HG23  THR  32          3HG2      THR  32   0.226  11.754   0.919
   36    H    ARG  33           H        ARG  33   1.957   7.061   2.658
   37    HA   ARG  33           HA       ARG  33   2.628   5.526   0.166
   38    HE   ARG  33           HE       ARG  33   7.047   6.987  -1.022
   39    HB2  ARG  33           2HB      ARG  33   4.430   5.969   2.501
   40    HB3  ARG  33           3HB      ARG  33   4.592   4.578   1.418
   41    HG2  ARG  33           2HG      ARG  33   5.217   5.705  -0.331
   42    HG3  ARG  33           3HG      ARG  33   4.562   7.283   0.241
   43    HD2  ARG  33           2HD      ARG  33   6.359   7.545   1.780
   44    HD3  ARG  33           3HD      ARG  33   6.965   5.903   1.484
   45   HH11  ARG  33          2HH2      ARG  33   8.433   8.391   1.920
   46   HH12  ARG  33          1HH2      ARG  33   9.773   9.024   1.001
   47   HH21  ARG  33          1HH1      ARG  33   8.564   7.899  -2.023
   48   HH22  ARG  33          2HH1      ARG  33   9.842   8.810  -1.210
   49    H    LEU  34           H        LEU  34   1.890   3.672   0.048
   50    HA   LEU  34           HA       LEU  34   0.725   2.444   2.458
   51    HG   LEU  34           HG       LEU  34  -2.075   3.142   0.078
   52    HB2  LEU  34           2HB      LEU  34   0.100   1.770  -0.325
   53    HB3  LEU  34           3HB      LEU  34  -0.890   1.460   1.054
   54   HD11  LEU  34          1HD1      LEU  34  -1.450   4.029   2.369
   55   HD12  LEU  34          2HD1      LEU  34  -0.311   5.110   1.560
   56   HD13  LEU  34          3HD1      LEU  34  -2.019   5.198   1.189
   57   HD21  LEU  34          3HD2      LEU  34  -0.742   5.246  -0.911
   58   HD22  LEU  34          1HD2      LEU  34   0.495   4.031  -1.089
   59   HD23  LEU  34          2HD2      LEU  34  -1.070   3.759  -1.822
   60    H    PHE  35           H        PHE  35   1.886   1.018   3.369
   61    HA   PHE  35           HA       PHE  35   3.971  -0.459   1.924
   62    HD1  PHE  35           HD1      PHE  35   5.626  -1.745   2.282
   63    HD2  PHE  35           HD2      PHE  35   5.377  -0.496   6.401
   64    HE1  PHE  35           HE1      PHE  35   7.199  -3.522   2.915
   65    HE2  PHE  35           HE2      PHE  35   6.961  -2.302   7.030
   66    HZ   PHE  35           HZ       PHE  35   7.856  -3.830   5.292
   67    HB2  PHE  35           2HB      PHE  35   4.733   0.945   3.626
   68    HB3  PHE  35           3HB      PHE  35   3.775   0.453   4.814
   69    H    VAL  36           H        VAL  36   3.210  -2.123   1.164
   70    HA   VAL  36           HA       VAL  36   1.084  -3.726   2.520
   71    HB   VAL  36           HB       VAL  36   1.448  -2.479  -0.207
   72   HG11  VAL  36          1HG1      VAL  36  -0.954  -3.188  -0.588
   73   HG12  VAL  36          2HG1      VAL  36   0.423  -4.164  -1.018
   74   HG13  VAL  36          3HG1      VAL  36  -0.502  -4.538   0.491
   75   HG21  VAL  36          3HG2      VAL  36  -1.046  -2.273   1.526
   76   HG22  VAL  36          1HG2      VAL  36   0.323  -1.296   2.011
   77   HG23  VAL  36          2HG2      VAL  36  -0.348  -1.037   0.416
   78    H    ARG  37           H        ARG  37   2.359  -5.243   3.176
   79    HA   ARG  37           HA       ARG  37   3.883  -6.897   1.191
   80    HE   ARG  37           HE       ARG  37   4.017  -6.736   7.200
   81    HB2  ARG  37           2HB      ARG  37   5.695  -7.084   2.840
   82    HB3  ARG  37           3HB      ARG  37   5.326  -5.440   2.411
   83    HG2  ARG  37           2HG      ARG  37   5.724  -5.268   4.630
   84    HG3  ARG  37           3HG      ARG  37   3.966  -5.332   4.614
   85    HD2  ARG  37           2HD      ARG  37   4.059  -7.717   5.099
   86    HD3  ARG  37           3HD      ARG  37   5.820  -7.731   5.078
   87   HH11  ARG  37          2HH2      ARG  37   7.390  -6.654   6.160
   88   HH12  ARG  37          1HH2      ARG  37   7.877  -5.943   7.696
   89   HH21  ARG  37          1HH1      ARG  37   4.788  -5.619   8.991
   90   HH22  ARG  37          2HH1      ARG  37   6.489  -5.187   9.051
   91    HA   PRO  38           HA       PRO  38   1.712  -9.842   4.298
   92    HB2  PRO  38           2HB      PRO  38  -0.842 -10.288   3.461
   93    HB3  PRO  38           3HB      PRO  38  -0.460  -8.871   4.496
   94    HG2  PRO  38           2HG      PRO  38  -0.682  -8.890   1.500
   95    HG3  PRO  38           3HG      PRO  38  -1.524  -7.854   2.663
   96    HD2  PRO  38           2HD      PRO  38   0.755  -6.997   1.518
   97    HD3  PRO  38           3HD      PRO  38   0.492  -6.709   3.262
   98    H    PHE  39           H        PHE  39   1.333  -9.508   0.837
   99    HA   PHE  39           HA       PHE  39   0.658 -12.243   0.301
  100    HD1  PHE  39           HD2      PHE  39   1.989  -8.315  -0.954
  101    HD2  PHE  39           HD1      PHE  39  -1.947 -10.120  -1.129
  102    HE1  PHE  39           HE2      PHE  39   0.972  -6.135  -0.977
  103    HE2  PHE  39           HE1      PHE  39  -2.965  -7.863  -1.103
  104    HZ   PHE  39           HZ       PHE  39  -1.531  -5.860  -1.087
  105    HB2  PHE  39           2HB      PHE  39   1.497 -10.659  -2.002
  106    HB3  PHE  39           3HB      PHE  39  -0.022 -11.444  -1.669
  107    HA   PRO  40           HA       PRO  40   4.705 -13.553  -1.171
  108    HB2  PRO  40           2HB      PRO  40   4.018 -15.583  -2.943
  109    HB3  PRO  40           3HB      PRO  40   3.827 -15.753  -1.188
  110    HG2  PRO  40           2HG      PRO  40   1.734 -14.911  -3.222
  111    HG3  PRO  40           3HG      PRO  40   1.585 -16.165  -1.951
  112    HD2  PRO  40           2HD      PRO  40   0.655 -13.615  -1.641
  113    HD3  PRO  40           3HD      PRO  40   1.329 -14.543  -0.269
  114    H    LEU  41           H        LEU  41   5.474 -14.264  -3.650
  115    HA   LEU  41           HA       LEU  41   5.895 -11.938  -5.114
  116    HG   LEU  41           HG       LEU  41   8.218 -14.872  -6.019
  117    HB2  LEU  41           2HB      LEU  41   5.773 -14.733  -6.284
  118    HB3  LEU  41           3HB      LEU  41   6.689 -13.343  -6.868
  119   HD11  LEU  41          1HD1      LEU  41   7.909 -12.716  -3.902
  120   HD12  LEU  41          2HD1      LEU  41   9.386 -13.626  -4.292
  121   HD13  LEU  41          3HD1      LEU  41   8.687 -12.532  -5.504
  122   HD21  LEU  41          3HD2      LEU  41   8.303 -15.916  -3.934
  123   HD22  LEU  41          1HD2      LEU  41   7.049 -14.906  -3.228
  124   HD23  LEU  41          2HD2      LEU  41   6.629 -16.121  -4.465
  125    H    ASP  42           H        ASP  42   3.080 -13.968  -5.207
  126    HA   ASP  42           HA       ASP  42   2.127 -13.399  -7.802
  127    HB2  ASP  42           2HB      ASP  42   0.601 -14.221  -5.293
  128    HB3  ASP  42           3HB      ASP  42   0.004 -14.362  -6.948
  129    H    VAL  43           H        VAL  43   2.031 -11.202  -5.061
  130    HA   VAL  43           HA       VAL  43  -0.264  -9.682  -6.116
  131    HB   VAL  43           HB       VAL  43   0.401  -9.389  -3.773
  132   HG11  VAL  43          1HG1      VAL  43   2.842  -7.893  -4.846
  133   HG12  VAL  43          2HG1      VAL  43   2.299  -7.913  -3.178
  134   HG13  VAL  43          3HG1      VAL  43   2.857  -9.413  -3.918
  135   HG21  VAL  43          3HG2      VAL  43  -0.933  -7.676  -4.975
  136   HG22  VAL  43          1HG2      VAL  43   0.082  -6.964  -3.724
  137   HG23  VAL  43          2HG2      VAL  43   0.554  -6.816  -5.410
  138    H    GLN  44           H        GLN  44  -0.202  -7.903  -7.477
  139    HA   GLN  44           HA       GLN  44   2.279  -7.056  -8.771
  140    HB2  GLN  44           2HB      GLN  44   0.100  -8.476 -10.370
  141    HB3  GLN  44           3HB      GLN  44   1.462  -7.631 -11.072
  142    HG2  GLN  44           2HG      GLN  44   1.679 -10.156  -9.369
  143    HG3  GLN  44           3HG      GLN  44   1.646 -10.109 -11.115
  144   HE21  GLN  44          1HE2      GLN  44   3.824 -10.585  -8.709
  145   HE22  GLN  44          2HE2      GLN  44   5.224  -9.974  -9.547
  146    H    GLU  45           H        GLU  45   1.657  -5.404 -10.558
  147    HA   GLU  45           HA       GLU  45   0.213  -3.338  -9.317
  148    HB2  GLU  45           2HB      GLU  45   1.885  -3.321 -11.386
  149    HB3  GLU  45           3HB      GLU  45   0.390  -3.429 -12.327
  150    HG2  GLU  45           2HG      GLU  45  -0.297  -1.423 -10.597
  151    HG3  GLU  45           3HG      GLU  45   1.444  -1.216 -10.574
  152    H    SER  46           H        SER  46  -1.084  -5.886 -11.473
  153    HA   SER  46           HA       SER  46  -3.668  -4.785 -11.920
  154    HG   SER  46           HG       SER  46  -2.290  -8.222 -11.150
  155    HB2  SER  46           2HB      SER  46  -4.210  -7.393 -12.011
  156    HB3  SER  46           3HB      SER  46  -3.278  -6.576 -13.262
  157    H    GLU  47           H        GLU  47  -2.388  -6.441  -8.993
  158    HA   GLU  47           HA       GLU  47  -5.042  -7.050  -7.874
  159    HB2  GLU  47           2HB      GLU  47  -2.085  -7.485  -7.254
  160    HB3  GLU  47           3HB      GLU  47  -3.231  -7.557  -5.968
  161    HG2  GLU  47           2HG      GLU  47  -2.781  -9.777  -6.894
  162    HG3  GLU  47           3HG      GLU  47  -4.479  -9.321  -7.100
  163    H    LEU  48           H        LEU  48  -2.221  -4.940  -7.486
  164    HA   LEU  48           HA       LEU  48  -3.264  -3.311  -5.358
  165    HG   LEU  48           HG       LEU  48  -0.930  -4.768  -5.569
  166    HB2  LEU  48           2HB      LEU  48  -1.181  -2.838  -7.512
  167    HB3  LEU  48           3HB      LEU  48  -1.414  -1.837  -6.175
  168   HD11  LEU  48          1HD1      LEU  48   1.420  -4.646  -5.784
  169   HD12  LEU  48          2HD1      LEU  48   0.779  -4.095  -7.331
  170   HD13  LEU  48          3HD1      LEU  48   1.374  -2.917  -6.145
  171   HD21  LEU  48          3HD2      LEU  48  -1.194  -3.178  -3.772
  172   HD22  LEU  48          1HD2      LEU  48   0.447  -3.821  -3.829
  173   HD23  LEU  48          2HD2      LEU  48   0.123  -2.154  -4.449
  174    H    ASN  49           H        ASN  49  -3.555  -3.192  -8.935
  175    HA   ASN  49           HA       ASN  49  -5.038  -0.706  -9.006
  176    HB2  ASN  49           2HB      ASN  49  -4.632  -2.962 -10.947
  177    HB3  ASN  49           3HB      ASN  49  -6.057  -1.972 -11.169
  178   HD21  ASN  49          2HD2      ASN  49  -2.540  -1.709 -10.796
  179   HD22  ASN  49          1HD2      ASN  49  -2.359  -0.369 -11.915
  180    H    GLU  50           H        GLU  50  -6.198  -4.116  -8.689
  181    HA   GLU  50           HA       GLU  50  -8.987  -3.445  -8.540
  182    HB2  GLU  50           2HB      GLU  50  -7.298  -5.740  -7.581
  183    HB3  GLU  50           3HB      GLU  50  -8.976  -5.607  -7.039
  184    HG2  GLU  50           2HG      GLU  50  -9.626  -5.374  -9.506
  185    HG3  GLU  50           3HG      GLU  50  -7.972  -5.843  -9.912
  186    H    ILE  51           H        ILE  51  -6.520  -3.565  -5.958
  187    HA   ILE  51           HA       ILE  51  -8.504  -3.134  -3.847
  188    HB   ILE  51           HB       ILE  51  -5.514  -3.340  -3.984
  189   HG12  ILE  51          2HG1      ILE  51  -7.487  -5.255  -2.687
  190   HG13  ILE  51          3HG1      ILE  51  -6.948  -5.396  -4.355
  191   HG21  ILE  51          1HG2      ILE  51  -5.494  -3.451  -1.467
  192   HG22  ILE  51          2HG2      ILE  51  -6.014  -1.872  -2.035
  193   HG23  ILE  51          3HG2      ILE  51  -7.225  -3.040  -1.471
  194   HD11  ILE  51          3HD1      ILE  51  -4.556  -5.529  -3.526
  195   HD12  ILE  51          1HD1      ILE  51  -5.207  -5.666  -1.880
  196   HD13  ILE  51          2HD1      ILE  51  -5.597  -6.891  -3.096
  197    H    PHE  52           H        PHE  52  -6.096  -1.082  -5.496
  198    HA   PHE  52           HA       PHE  52  -6.617   1.177  -3.670
  199    HD1  PHE  52           HD1      PHE  52  -4.417  -1.588  -4.240
  200    HD2  PHE  52           HD2      PHE  52  -3.480   2.297  -2.687
  201    HE1  PHE  52           HE1      PHE  52  -2.885  -2.630  -2.637
  202    HE2  PHE  52           HE2      PHE  52  -1.786   1.266  -1.227
  203    HZ   PHE  52           HZ       PHE  52  -1.358  -1.178  -1.353
  204    HB2  PHE  52           2HB      PHE  52  -4.489   0.698  -5.677
  205    HB3  PHE  52           3HB      PHE  52  -4.638   2.153  -4.724
  206    H    GLY  53           H        GLY  53  -7.204   0.242  -7.005
  207    HA2  GLY  53           2HA      GLY  53  -7.704   2.676  -8.307
  208    HA3  GLY  53           3HA      GLY  53  -8.558   1.157  -8.586
  209    HA   PRO  54           HA       PRO  54 -12.156   2.722  -6.242
  210    HB2  PRO  54           2HB      PRO  54 -11.384   1.765  -3.504
  211    HB3  PRO  54           3HB      PRO  54 -12.924   1.541  -4.382
  212    HG2  PRO  54           2HG      PRO  54 -11.172  -0.510  -4.153
  213    HG3  PRO  54           3HG      PRO  54 -11.966  -0.198  -5.744
  214    HD2  PRO  54           2HD      PRO  54  -9.274   0.787  -4.776
  215    HD3  PRO  54           3HD      PRO  54  -9.590  -0.148  -6.254
  216    H    PHE  55           H        PHE  55  -9.032   3.391  -4.647
  217    HA   PHE  55           HA       PHE  55 -10.028   5.655  -3.116
  218    HD1  PHE  55           HD2      PHE  55  -9.925   3.621  -1.959
  219    HD2  PHE  55           HD1      PHE  55  -5.669   3.755  -2.551
  220    HE1  PHE  55           HE2      PHE  55  -9.719   1.397  -0.889
  221    HE2  PHE  55           HE1      PHE  55  -5.444   1.617  -1.236
  222    HZ   PHE  55           HZ       PHE  55  -7.495   0.419  -0.500
  223    HB2  PHE  55           2HB      PHE  55  -7.097   5.165  -3.761
  224    HB3  PHE  55           3HB      PHE  55  -7.803   5.997  -2.433
  225    H    GLY  56           H        GLY  56  -8.101   5.124  -6.006
  226    HA2  GLY  56           2HA      GLY  56  -8.883   6.284  -7.951
  227    HA3  GLY  56           3HA      GLY  56  -8.945   7.779  -7.005
  228    HA   PRO  57           HA       PRO  57  -4.708   8.691  -8.260
  229    HB2  PRO  57           2HB      PRO  57  -4.091   9.370  -5.411
  230    HB3  PRO  57           3HB      PRO  57  -3.932  10.372  -6.886
  231    HG2  PRO  57           2HG      PRO  57  -5.920  10.871  -5.131
  232    HG3  PRO  57           3HG      PRO  57  -6.188  10.970  -6.894
  233    HD2  PRO  57           2HD      PRO  57  -6.844   8.658  -5.052
  234    HD3  PRO  57           3HD      PRO  57  -7.873   9.440  -6.268
  235    H    MET  58           H        MET  58  -2.889   7.471  -8.467
  236    HA   MET  58           HA       MET  58  -1.733   5.591  -6.480
  237    HB2  MET  58           2HB      MET  58  -2.512   4.556  -9.143
  238    HB3  MET  58           3HB      MET  58  -1.783   3.706  -7.799
  239    HG2  MET  58           2HG      MET  58  -3.887   3.922  -6.486
  240    HG3  MET  58           3HG      MET  58  -4.664   4.679  -7.877
  241    HE1  MET  58           3HE      MET  58  -2.064   1.602  -8.251
  242    HE2  MET  58           1HE      MET  58  -2.713   1.682  -6.595
  243    HE3  MET  58           2HE      MET  58  -3.152   0.323  -7.666
  244    H    LYS  59           H        LYS  59  -0.716   7.764  -7.109
  245    HA   LYS  59           HA       LYS  59   0.670   8.184  -9.460
  246    HB2  LYS  59           2HB      LYS  59   0.548   9.963  -8.081
  247    HB3  LYS  59           3HB      LYS  59   0.987   9.055  -6.638
  248    HG2  LYS  59           2HG      LYS  59   3.067   9.683  -8.710
  249    HG3  LYS  59           3HG      LYS  59   2.455  10.863  -7.552
  250    HD2  LYS  59           2HD      LYS  59   3.128   8.331  -6.228
  251    HD3  LYS  59           3HD      LYS  59   4.488   9.052  -7.029
  252    HE2  LYS  59           2HE      LYS  59   2.938  11.097  -5.656
  253    HE3  LYS  59           3HE      LYS  59   3.306   9.764  -4.550
  254    HZ1  LYS  59           3HZ      LYS  59   5.652  10.003  -5.060
  255    HZ2  LYS  59           1HZ      LYS  59   5.365  11.232  -6.115
  256    HZ3  LYS  59           2HZ      LYS  59   5.071  11.435  -4.519
  257    H    GLU  60           H        GLU  60   1.571   5.898  -6.983
  258    HA   GLU  60           HA       GLU  60   3.490   4.682  -8.736
  259    HB2  GLU  60           2HB      GLU  60   4.565   6.606  -6.798
  260    HB3  GLU  60           3HB      GLU  60   5.182   4.997  -6.471
  261    HG2  GLU  60           2HG      GLU  60   5.222   6.066  -9.320
  262    HG3  GLU  60           3HG      GLU  60   6.352   6.662  -8.124
  263    H    VAL  61           H        VAL  61   4.531   2.927  -7.953
  264    HA   VAL  61           HA       VAL  61   3.112   1.301  -5.977
  265    HB   VAL  61           HB       VAL  61   2.858   0.391  -8.887
  266   HG11  VAL  61          1HG1      VAL  61   0.940  -0.109  -6.595
  267   HG12  VAL  61          2HG1      VAL  61   1.210  -1.066  -8.045
  268   HG13  VAL  61          3HG1      VAL  61   2.451  -1.019  -6.762
  269   HG21  VAL  61          3HG2      VAL  61   0.689   2.095  -7.639
  270   HG22  VAL  61          1HG2      VAL  61   1.652   2.473  -9.077
  271   HG23  VAL  61          2HG2      VAL  61   0.546   1.102  -9.100
  272    H    LYS  62           H        LYS  62   5.325   1.478  -5.351
  273    HA   LYS  62           HA       LYS  62   7.452   0.275  -6.961
  274    HB2  LYS  62           2HB      LYS  62   7.269   0.844  -3.992
  275    HB3  LYS  62           3HB      LYS  62   8.754   0.537  -4.846
  276    HG2  LYS  62           2HG      LYS  62   7.108   2.851  -5.888
  277    HG3  LYS  62           3HG      LYS  62   7.677   3.011  -4.250
  278    HD2  LYS  62           2HD      LYS  62   9.215   3.985  -6.014
  279    HD3  LYS  62           3HD      LYS  62   9.995   2.791  -4.984
  280    HE2  LYS  62           2HE      LYS  62  10.727   2.416  -7.237
  281    HE3  LYS  62           3HE      LYS  62   9.723   1.059  -6.741
  282    HZ1  LYS  62           3HZ      LYS  62   9.115   1.766  -8.969
  283    HZ2  LYS  62           1HZ      LYS  62   7.852   2.191  -8.001
  284    HZ3  LYS  62           2HZ      LYS  62   8.863   3.316  -8.500
  285    H    ILE  63           H        ILE  63   7.564  -1.849  -7.313
  286    HA   ILE  63           HA       ILE  63   6.456  -3.722  -5.283
  287    HB   ILE  63           HB       ILE  63   6.111  -3.839  -8.281
  288   HG12  ILE  63          2HG1      ILE  63   4.013  -3.862  -6.053
  289   HG13  ILE  63          3HG1      ILE  63   4.574  -2.376  -6.781
  290   HG21  ILE  63          1HG2      ILE  63   6.564  -6.131  -7.473
  291   HG22  ILE  63          2HG2      ILE  63   5.373  -5.929  -6.169
  292   HG23  ILE  63          3HG2      ILE  63   4.858  -5.971  -7.871
  293   HD11  ILE  63          3HD1      ILE  63   3.856  -3.276  -9.049
  294   HD12  ILE  63          1HD1      ILE  63   2.998  -4.555  -8.134
  295   HD13  ILE  63          2HD1      ILE  63   2.591  -2.856  -7.903
  296    H    LEU  64           H        LEU  64   7.710  -5.050  -4.477
  297    HA   LEU  64           HA       LEU  64  10.419  -5.648  -5.641
  298    HG   LEU  64           HG       LEU  64  11.513  -3.447  -4.480
  299    HB2  LEU  64           2HB      LEU  64   9.591  -5.044  -2.778
  300    HB3  LEU  64           3HB      LEU  64  11.181  -5.571  -3.304
  301   HD11  LEU  64          1HD1      LEU  64   9.599  -2.403  -5.123
  302   HD12  LEU  64          2HD1      LEU  64   8.710  -2.854  -3.656
  303   HD13  LEU  64          3HD1      LEU  64   9.896  -1.530  -3.622
  304   HD21  LEU  64          3HD2      LEU  64  12.318  -3.753  -2.264
  305   HD22  LEU  64          1HD2      LEU  64  11.690  -2.097  -2.393
  306   HD23  LEU  64          2HD2      LEU  64  10.737  -3.366  -1.580
  307    H    ASN  65           H        ASN  65  10.003  -7.719  -6.290
  308    HA   ASN  65           HA       ASN  65   9.443  -9.926  -6.299
  309    HB2  ASN  65           2HB      ASN  65  10.404  -9.774  -3.412
  310    HB3  ASN  65           3HB      ASN  65  10.263 -11.240  -4.362
  311   HD21  ASN  65          1HD2      ASN  65  12.495  -9.069  -3.296
  312   HD22  ASN  65          2HD2      ASN  65  13.667  -9.236  -4.590
  313    H    GLY  66           H        GLY  66   8.419  -9.791  -2.924
  314    HA2  GLY  66           2HA      GLY  66   5.576 -10.310  -3.683
  315    HA3  GLY  66           3HA      GLY  66   6.359 -10.847  -2.206
  316    H    PHE  67           H        PHE  67   7.325  -7.623  -2.711
  317    HA   PHE  67           HA       PHE  67   5.237  -6.675  -0.785
  318    HD1  PHE  67           HD1      PHE  67   6.080  -8.041   0.970
  319    HD2  PHE  67           HD2      PHE  67   9.873  -6.938  -0.735
  320    HE1  PHE  67           HE1      PHE  67   7.100  -9.990   2.062
  321    HE2  PHE  67           HE2      PHE  67  10.900  -8.975   0.269
  322    HZ   PHE  67           HZ       PHE  67   9.531 -10.493   1.696
  323    HB2  PHE  67           2HB      PHE  67   8.021  -5.602  -1.146
  324    HB3  PHE  67           3HB      PHE  67   6.940  -5.417   0.221
  325    H    ALA  68           H        ALA  68   4.427  -4.612  -0.940
  326    HA   ALA  68           HA       ALA  68   4.892  -3.006  -3.428
  327    HB1  ALA  68           1HB      ALA  68   2.549  -2.599  -3.519
  328    HB2  ALA  68           2HB      ALA  68   2.921  -4.330  -3.686
  329    HB3  ALA  68           3HB      ALA  68   2.275  -3.704  -2.150
  330    H    PHE  69           H        PHE  69   5.131  -0.966  -3.147
  331    HA   PHE  69           HA       PHE  69   4.366   0.352  -0.637
  332    HD1  PHE  69           HD2      PHE  69   7.323  -1.420  -2.432
  333    HD2  PHE  69           HD1      PHE  69   7.503   0.482   1.417
  334    HE1  PHE  69           HE2      PHE  69   8.518  -3.372  -1.544
  335    HE2  PHE  69           HE1      PHE  69   8.933  -1.393   2.247
  336    HZ   PHE  69           HZ       PHE  69   9.453  -3.342   0.700
  337    HB2  PHE  69           2HB      PHE  69   6.950   1.194  -1.950
  338    HB3  PHE  69           3HB      PHE  69   6.354   1.561  -0.360
  339    H    VAL  70           H        VAL  70   2.583   0.879  -1.691
  340    HA   VAL  70           HA       VAL  70   2.651   2.342  -4.240
  341    HB   VAL  70           HB       VAL  70   0.215   2.069  -2.450
  342   HG11  VAL  70          1HG1      VAL  70   0.500   1.748  -5.446
  343   HG12  VAL  70          2HG1      VAL  70  -1.000   1.838  -4.521
  344   HG13  VAL  70          3HG1      VAL  70   0.002   3.312  -4.681
  345   HG21  VAL  70          3HG2      VAL  70   1.014  -0.213  -2.661
  346   HG22  VAL  70          1HG2      VAL  70  -0.323   0.028  -3.805
  347   HG23  VAL  70          2HG2      VAL  70   1.365   0.105  -4.410
  348    H    GLU  71           H        GLU  71   1.906   4.598  -4.428
  349    HA   GLU  71           HA       GLU  71   2.592   6.274  -2.046
  350    HB2  GLU  71           2HB      GLU  71   4.687   5.393  -3.306
  351    HB3  GLU  71           3HB      GLU  71   4.124   6.328  -4.678
  352    HG2  GLU  71           2HG      GLU  71   4.165   8.402  -3.321
  353    HG3  GLU  71           3HG      GLU  71   4.727   7.487  -1.943
  354    H    PHE  72           H        PHE  72   1.648   8.286  -2.270
  355    HA   PHE  72           HA       PHE  72   0.237   8.877  -4.828
  356    HD1  PHE  72           HD2      PHE  72  -1.043   7.033  -4.929
  357    HD2  PHE  72           HD1      PHE  72  -2.299   8.065  -0.970
  358    HE1  PHE  72           HE2      PHE  72  -2.214   4.799  -4.675
  359    HE2  PHE  72           HE1      PHE  72  -3.576   5.948  -0.786
  360    HZ   PHE  72           HZ       PHE  72  -3.558   4.356  -2.666
  361    HB2  PHE  72           2HB      PHE  72  -0.785   9.437  -2.043
  362    HB3  PHE  72           3HB      PHE  72  -1.619   9.685  -3.553
  363    H    GLU  73           H        GLU  73  -0.392  10.928  -5.284
  364    HA   GLU  73           HA       GLU  73   1.725  12.910  -4.951
  365    HB2  GLU  73           2HB      GLU  73   0.532  14.093  -6.645
  366    HB3  GLU  73           3HB      GLU  73   0.911  12.429  -7.087
  367    HG2  GLU  73           2HG      GLU  73  -1.771  12.891  -5.844
  368    HG3  GLU  73           3HG      GLU  73  -1.470  13.628  -7.397
  369    H    GLU  74           H        GLU  74  -1.162  12.302  -3.246
  370    HA   GLU  74           HA       GLU  74  -0.828  14.716  -1.618
  371    HB2  GLU  74           2HB      GLU  74  -3.374  15.116  -1.740
  372    HB3  GLU  74           3HB      GLU  74  -2.358  15.736  -3.018
  373    HG2  GLU  74           2HG      GLU  74  -4.528  14.741  -3.775
  374    HG3  GLU  74           3HG      GLU  74  -3.100  14.140  -4.591
  375    H    ALA  75           H        ALA  75  -2.622  14.581   0.252
  376    HA   ALA  75           HA       ALA  75  -2.084  11.916   1.436
  377    HB1  ALA  75           1HB      ALA  75  -1.044  13.901   2.475
  378    HB2  ALA  75           2HB      ALA  75  -2.663  14.589   2.753
  379    HB3  ALA  75           3HB      ALA  75  -2.171  13.085   3.566
  380    H    GLU  76           H        GLU  76  -4.576  12.882  -0.254
  381    HA   GLU  76           HA       GLU  76  -6.715  12.206   1.689
  382    HB2  GLU  76           2HB      GLU  76  -6.490  13.845  -0.764
  383    HB3  GLU  76           3HB      GLU  76  -7.871  12.737  -0.803
  384    HG2  GLU  76           2HG      GLU  76  -7.155  14.438   1.589
  385    HG3  GLU  76           3HG      GLU  76  -8.205  15.060   0.291
  386    H    SER  77           H        SER  77  -5.385  11.081  -1.448
  387    HA   SER  77           HA       SER  77  -6.978   8.662  -1.529
  388    HG   SER  77           HG       SER  77  -4.871   7.295  -3.918
  389    HB2  SER  77           2HB      SER  77  -5.558   9.512  -3.423
  390    HB3  SER  77           3HB      SER  77  -4.137   8.947  -2.545
  391    H    ALA  78           H        ALA  78  -3.962   9.610   0.140
  392    HA   ALA  78           HA       ALA  78  -3.451   7.020   1.272
  393    HB1  ALA  78           1HB      ALA  78  -1.795   8.859   1.018
  394    HB2  ALA  78           2HB      ALA  78  -2.591   9.727   2.351
  395    HB3  ALA  78           3HB      ALA  78  -1.835   8.138   2.634
  396    H    ALA  79           H        ALA  79  -5.061   9.943   2.754
  397    HA   ALA  79           HA       ALA  79  -5.821   8.790   5.185
  398    HB1  ALA  79           1HB      ALA  79  -7.608  10.482   5.205
  399    HB2  ALA  79           2HB      ALA  79  -6.055  11.158   4.695
  400    HB3  ALA  79           3HB      ALA  79  -7.320  10.814   3.492
  401    H    LYS  80           H        LYS  80  -7.720   8.703   2.107
  402    HA   LYS  80           HA       LYS  80  -9.658   6.939   3.366
  403    HB2  LYS  80           2HB      LYS  80 -10.743   6.735   1.283
  404    HB3  LYS  80           3HB      LYS  80 -10.246   8.413   1.496
  405    HG2  LYS  80           2HG      LYS  80  -8.225   7.798   0.002
  406    HG3  LYS  80           3HG      LYS  80  -9.025   6.261  -0.283
  407    HD2  LYS  80           2HD      LYS  80  -9.749   7.505  -2.103
  408    HD3  LYS  80           3HD      LYS  80 -11.087   7.776  -1.010
  409    HE2  LYS  80           2HE      LYS  80  -8.813   9.669  -1.782
  410    HE3  LYS  80           3HE      LYS  80 -10.504   9.799  -2.228
  411    HZ1  LYS  80           3HZ      LYS  80 -10.081  11.333  -0.412
  412    HZ2  LYS  80           1HZ      LYS  80 -10.988  10.129   0.194
  413    HZ3  LYS  80           2HZ      LYS  80  -9.360  10.184   0.475
  414    H    ALA  81           H        ALA  81  -6.810   6.276   1.325
  415    HA   ALA  81           HA       ALA  81  -7.257   3.545   0.962
  416    HB1  ALA  81           1HB      ALA  81  -4.821   3.254   0.766
  417    HB2  ALA  81           2HB      ALA  81  -5.393   4.655  -0.109
  418    HB3  ALA  81           3HB      ALA  81  -4.562   4.877   1.438
  419    H    ILE  82           H        ILE  82  -5.656   5.245   3.707
  420    HA   ILE  82           HA       ILE  82  -5.217   3.123   5.442
  421    HB   ILE  82           HB       ILE  82  -5.994   5.972   6.081
  422   HG12  ILE  82          2HG1      ILE  82  -3.234   4.919   6.574
  423   HG13  ILE  82          3HG1      ILE  82  -3.659   5.254   4.907
  424   HG21  ILE  82          1HG2      ILE  82  -4.852   3.907   8.007
  425   HG22  ILE  82          2HG2      ILE  82  -5.068   5.628   8.356
  426   HG23  ILE  82          3HG2      ILE  82  -6.479   4.622   8.084
  427   HD11  ILE  82          3HD1      ILE  82  -3.888   7.230   7.219
  428   HD12  ILE  82          1HD1      ILE  82  -2.626   7.218   5.954
  429   HD13  ILE  82          2HD1      ILE  82  -4.320   7.529   5.540
  430    H    GLU  83           H        GLU  83  -8.114   5.270   5.461
  431    HA   GLU  83           HA       GLU  83  -9.539   3.645   7.321
  432    HB2  GLU  83           2HB      GLU  83 -10.509   5.674   5.308
  433    HB3  GLU  83           3HB      GLU  83 -11.528   4.959   6.563
  434    HG2  GLU  83           2HG      GLU  83  -8.978   6.575   7.088
  435    HG3  GLU  83           3HG      GLU  83 -10.622   7.187   7.178
  436    H    GLU  84           H        GLU  84  -9.115   3.113   3.918
  437    HA   GLU  84           HA       GLU  84 -11.435   1.335   3.543
  438    HB2  GLU  84           2HB      GLU  84  -9.044   2.122   1.840
  439    HB3  GLU  84           3HB      GLU  84 -10.189   0.905   1.324
  440    HG2  GLU  84           2HG      GLU  84 -11.208   3.644   2.059
  441    HG3  GLU  84           3HG      GLU  84 -10.408   3.402   0.512
  442    H    VAL  85           H        VAL  85  -7.893   0.949   3.961
  443    HA   VAL  85           HA       VAL  85  -8.245  -1.988   4.329
  444    HB   VAL  85           HB       VAL  85  -8.183  -1.593   1.983
  445   HG11  VAL  85          1HG1      VAL  85  -6.049  -0.834   0.859
  446   HG12  VAL  85          2HG1      VAL  85  -7.019   0.411   1.664
  447   HG13  VAL  85          3HG1      VAL  85  -5.565  -0.197   2.444
  448   HG21  VAL  85          3HG2      VAL  85  -7.119  -3.671   2.881
  449   HG22  VAL  85          1HG2      VAL  85  -6.589  -3.173   1.265
  450   HG23  VAL  85          2HG2      VAL  85  -5.543  -2.868   2.664
  451    H    HIS  86           H        HIS  86  -6.509   0.731   5.494
  452    HA   HIS  86           HA       HIS  86  -4.129  -0.693   6.357
  453    HD1  HIS  86           HD1      HIS  86  -1.920   1.929   7.235
  454    HD2  HIS  86           HD2      HIS  86  -4.490   0.368  10.160
  455    HE1  HIS  86           HE1      HIS  86  -0.477   1.542   9.326
  456    HB2  HIS  86           2HB      HIS  86  -4.339   1.748   6.482
  457    HB3  HIS  86           3HB      HIS  86  -5.527   1.602   7.777
  458    H    GLY  87           H        GLY  87  -4.178  -2.537   7.547
  459    HA2  GLY  87           2HA      GLY  87  -4.088  -3.414   9.761
  460    HA3  GLY  87           3HA      GLY  87  -5.393  -2.344  10.266
  461    H    LYS  88           H        LYS  88  -6.198  -3.526   7.311
  462    HA   LYS  88           HA       LYS  88  -8.140  -5.566   8.202
  463    HB2  LYS  88           2HB      LYS  88  -7.395  -4.131   5.617
  464    HB3  LYS  88           3HB      LYS  88  -8.429  -5.472   5.625
  465    HG2  LYS  88           2HG      LYS  88  -9.779  -3.495   5.552
  466    HG3  LYS  88           3HG      LYS  88 -10.065  -4.259   7.116
  467    HD2  LYS  88           2HD      LYS  88  -8.845  -2.590   8.289
  468    HD3  LYS  88           3HD      LYS  88  -7.981  -2.090   6.834
  469    HE2  LYS  88           2HE      LYS  88 -10.158  -1.269   5.892
  470    HE3  LYS  88           3HE      LYS  88 -10.889  -1.552   7.474
  471    HZ1  LYS  88           3HZ      LYS  88  -9.248   0.017   8.416
  472    HZ2  LYS  88           1HZ      LYS  88  -8.604   0.297   6.941
  473    HZ3  LYS  88           2HZ      LYS  88 -10.147   0.746   7.237
  474    H    SER  89           H        SER  89  -7.842  -7.686   7.732
  475    HA   SER  89           HA       SER  89  -5.078  -8.559   7.306
  476    HG   SER  89           HG       SER  89  -8.157 -10.506   7.286
  477    HB2  SER  89           2HB      SER  89  -5.961 -10.803   7.895
  478    HB3  SER  89           3HB      SER  89  -6.196  -9.547   9.117
  479    H    PHE  90           H        PHE  90  -4.489  -8.297   5.102
  480    HA   PHE  90           HA       PHE  90  -6.188  -9.712   3.087
  481    HD1  PHE  90           HD2      PHE  90  -3.435 -10.190   0.828
  482    HD2  PHE  90           HD1      PHE  90  -6.629  -7.293   0.900
  483    HE1  PHE  90           HE2      PHE  90  -4.183 -10.945  -1.424
  484    HE2  PHE  90           HE1      PHE  90  -7.312  -7.987  -1.380
  485    HZ   PHE  90           HZ       PHE  90  -6.134  -9.862  -2.503
  486    HB2  PHE  90           2HB      PHE  90  -5.257  -7.487   2.693
  487    HB3  PHE  90           3HB      PHE  90  -3.648  -8.142   2.678
  488    H    ALA  91           H        ALA  91  -5.669 -11.575   2.172
  489    HA   ALA  91           HA       ALA  91  -4.969 -13.663   1.874
  490    HB1  ALA  91           1HB      ALA  91  -2.570 -13.993   1.405
  491    HB2  ALA  91           2HB      ALA  91  -3.228 -12.547   0.630
  492    HB3  ALA  91           3HB      ALA  91  -2.218 -12.387   2.087
  493    H    ASN  92           H        ASN  92  -2.870 -12.491   4.515
  494    HA   ASN  92           HA       ASN  92  -3.711 -14.643   6.326
  495    HB2  ASN  92           2HB      ASN  92  -1.477 -15.549   6.636
  496    HB3  ASN  92           3HB      ASN  92  -1.892 -15.666   4.932
  497   HD21  ASN  92          1HD2      ASN  92  -0.835 -14.116   3.427
  498   HD22  ASN  92          2HD2      ASN  92   0.644 -13.300   3.913
  499    H    GLN  93           H        GLN  93  -2.576 -11.392   5.854
  500    HA   GLN  93           HA       GLN  93  -2.360 -10.895   8.735
  501    HB2  GLN  93           2HB      GLN  93  -0.051 -10.214   8.744
  502    HB3  GLN  93           3HB      GLN  93  -0.132 -11.865   8.161
  503    HG2  GLN  93           2HG      GLN  93   0.037 -10.977   5.811
  504    HG3  GLN  93           3HG      GLN  93   0.246  -9.353   6.494
  505   HE21  GLN  93          2HE2      GLN  93   1.728 -12.604   6.311
  506   HE22  GLN  93          1HE2      GLN  93   3.371 -11.995   6.498
  507    HA   PRO  94           HA       PRO  94  -3.622  -7.025   7.327
  508    HB2  PRO  94           2HB      PRO  94  -2.923  -5.236   9.318
  509    HB3  PRO  94           3HB      PRO  94  -4.163  -6.516   9.540
  510    HG2  PRO  94           2HG      PRO  94  -1.211  -6.639  10.259
  511    HG3  PRO  94           3HG      PRO  94  -2.622  -7.016  11.307
  512    HD2  PRO  94           2HD      PRO  94  -1.254  -8.944   9.994
  513    HD3  PRO  94           3HD      PRO  94  -3.042  -9.021  10.097
  514    H    LEU  95           H        LEU  95  -3.308  -5.148   6.421
  515    HA   LEU  95           HA       LEU  95  -0.754  -4.537   5.180
  516    HG   LEU  95           HG       LEU  95  -3.334  -3.674   2.720
  517    HB2  LEU  95           2HB      LEU  95  -3.528  -3.252   5.284
  518    HB3  LEU  95           3HB      LEU  95  -2.225  -2.591   4.372
  519   HD11  LEU  95          1HD1      LEU  95  -2.234  -5.687   2.028
  520   HD12  LEU  95          2HD1      LEU  95  -1.039  -4.584   2.746
  521   HD13  LEU  95          3HD1      LEU  95  -1.655  -5.965   3.687
  522   HD21  LEU  95          3HD2      LEU  95  -5.020  -4.635   4.243
  523   HD22  LEU  95          1HD2      LEU  95  -4.628  -5.468   2.744
  524   HD23  LEU  95          2HD2      LEU  95  -3.986  -6.093   4.300
  525    H    GLU  96           H        GLU  96   0.371  -2.561   5.230
  526    HA   GLU  96           HA       GLU  96  -0.249  -0.702   7.473
  527    HB2  GLU  96           2HB      GLU  96   1.859  -2.142   7.719
  528    HB3  GLU  96           3HB      GLU  96   2.546  -1.171   6.412
  529    HG2  GLU  96           2HG      GLU  96   1.637   0.846   7.919
  530    HG3  GLU  96           3HG      GLU  96   1.728  -0.343   9.204
  531    H    VAL  97           H        VAL  97  -1.587  -0.373   5.404
  532    HA   VAL  97           HA       VAL  97  -0.659   1.248   3.203
  533    HB   VAL  97           HB       VAL  97  -3.308   0.864   4.610
  534   HG11  VAL  97          1HG1      VAL  97  -2.909   2.242   1.934
  535   HG12  VAL  97          2HG1      VAL  97  -4.445   1.731   2.602
  536   HG13  VAL  97          3HG1      VAL  97  -3.523   2.995   3.427
  537   HG21  VAL  97          3HG2      VAL  97  -2.815  -0.087   1.774
  538   HG22  VAL  97          1HG2      VAL  97  -1.933  -0.921   3.038
  539   HG23  VAL  97          2HG2      VAL  97  -3.685  -0.889   3.115
  540    H    VAL  98           H        VAL  98   0.541   3.252   4.031
  541    HA   VAL  98           HA       VAL  98  -1.001   4.983   5.825
  542    HB   VAL  98           HB       VAL  98   0.096   2.819   6.933
  543   HG11  VAL  98          1HG1      VAL  98   2.032   2.917   8.099
  544   HG12  VAL  98          2HG1      VAL  98   2.425   3.045   6.378
  545   HG13  VAL  98          3HG1      VAL  98   2.527   4.447   7.514
  546   HG21  VAL  98          3HG2      VAL  98  -1.390   4.163   7.905
  547   HG22  VAL  98          1HG2      VAL  98  -0.046   3.919   9.037
  548   HG23  VAL  98          2HG2      VAL  98  -0.203   5.485   8.186
  549    H    TYR  99           H        TYR  99   1.930   5.661   6.707
  550    HA   TYR  99           HA       TYR  99   2.709   7.461   4.464
  551    HD1  TYR  99           HD1      TYR  99   0.773   8.429   5.154
  552    HD2  TYR  99           HD2      TYR  99   2.849   9.325   8.834
  553    HE1  TYR  99           HE1      TYR  99  -1.150   9.729   5.891
  554    HE2  TYR  99           HE2      TYR  99   0.884  10.645   9.593
  555    HH   TYR  99           HH       TYR  99  -1.222  11.395   9.100
  556    HB2  TYR  99           2HB      TYR  99   3.536   7.401   7.381
  557    HB3  TYR  99           3HB      TYR  99   3.968   8.622   6.201
  558    H    SER 100           H        SER 100   3.122   4.440   4.907
  559    HA   SER 100           HA       SER 100   4.557   2.843   5.288
  560    HG   SER 100           HG       SER 100   7.402   2.903   3.733
  561    HB2  SER 100           2HB      SER 100   4.614   2.909   3.014
  562    HB3  SER 100           3HB      SER 100   5.762   4.190   3.049
  563    H    LYS 101           H        LYS 101   5.162   3.035   7.447
  564    HA   LYS 101           HA       LYS 101   6.789   4.956   8.555
  565    HB2  LYS 101           2HB      LYS 101   6.728   3.759  10.560
  566    HB3  LYS 101           3HB      LYS 101   5.271   3.248   9.706
  567    HG2  LYS 101           2HG      LYS 101   6.623   1.237   8.892
  568    HG3  LYS 101           3HG      LYS 101   7.890   1.741  10.019
  569    HD2  LYS 101           2HD      LYS 101   6.328   1.444  11.916
  570    HD3  LYS 101           3HD      LYS 101   5.116   0.821  10.786
  571    HE2  LYS 101           2HE      LYS 101   7.860  -0.361  11.439
  572    HE3  LYS 101           3HE      LYS 101   6.278  -1.062  11.789
  573    HZ1  LYS 101           3HZ      LYS 101   7.477  -0.748   9.086
  574    HZ2  LYS 101           1HZ      LYS 101   7.150  -2.165   9.852
  575    HZ3  LYS 101           2HZ      LYS 101   5.923  -1.183   9.356
  576    H    LEU 102           H        LEU 102   7.883   1.860   7.441
  577    HA   LEU 102           HA       LEU 102  10.323   2.232   6.387
  578    HG   LEU 102           HG       LEU 102   9.912   0.788   9.753
  579    HB2  LEU 102           2HB      LEU 102  12.007   1.649   7.993
  580    HB3  LEU 102           3HB      LEU 102  11.242   3.103   8.512
  581   HD11  LEU 102          1HD1      LEU 102  12.080  -0.325   9.422
  582   HD12  LEU 102          2HD1      LEU 102  12.904   1.034  10.219
  583   HD13  LEU 102          3HD1      LEU 102  11.776   0.016  11.140
  584   HD21  LEU 102          3HD2      LEU 102   9.837   3.094  10.670
  585   HD22  LEU 102          1HD2      LEU 102  10.492   1.939  11.837
  586   HD23  LEU 102          2HD2      LEU 102  11.587   3.028  10.958
  587    HA   PRO 103           HA       PRO 103   9.560  -1.879   5.291
  588    HB2  PRO 103           2HB      PRO 103  12.453  -2.606   5.745
  589    HB3  PRO 103           3HB      PRO 103  11.423  -2.920   4.315
  590    HG2  PRO 103           2HG      PRO 103  13.168  -0.866   4.287
  591    HG3  PRO 103           3HG      PRO 103  11.499  -0.617   3.672
  592    HD2  PRO 103           2HD      PRO 103  12.634   0.105   6.384
  593    HD3  PRO 103           3HD      PRO 103  11.625   1.084   5.273
  594    H    ALA 104           H        ALA 104  10.325  -1.639   8.549
  595    HA   ALA 104           HA       ALA 104  10.912  -4.274   9.407
  596    HB1  ALA 104           1HB      ALA 104  11.204  -2.351  10.849
  597    HB2  ALA 104           2HB      ALA 104   9.459  -2.005  10.826
  598    HB3  ALA 104           3HB      ALA 104  10.067  -3.476  11.612
  Start of MODEL    9
    1    H    GLU  28           H        GLU  28   6.516  15.094  12.467
    2    HA   GLU  28           HA       GLU  28   5.268  14.237  10.593
    3    HB2  GLU  28           2HB      GLU  28   8.158  15.020  10.017
    4    HB3  GLU  28           3HB      GLU  28   6.964  14.749   8.757
    5    HG2  GLU  28           2HG      GLU  28   7.001  17.058   9.045
    6    HG3  GLU  28           3HG      GLU  28   5.498  16.510   9.773
    7    H    LEU  29           H        LEU  29   5.389  12.943   8.579
    8    HA   LEU  29           HA       LEU  29   6.977  10.466   8.667
    9    HG   LEU  29           HG       LEU  29   4.245   8.063   9.512
   10    HB2  LEU  29           2HB      LEU  29   4.405  10.522   9.831
   11    HB3  LEU  29           3HB      LEU  29   4.071  10.003   8.215
   12   HD11  LEU  29          1HD1      LEU  29   7.028   8.218   8.272
   13   HD12  LEU  29          2HD1      LEU  29   6.143   6.764   8.742
   14   HD13  LEU  29          3HD1      LEU  29   5.522   7.732   7.421
   15   HD21  LEU  29          3HD2      LEU  29   5.283   9.051  11.469
   16   HD22  LEU  29          1HD2      LEU  29   6.037   7.513  11.036
   17   HD23  LEU  29          2HD2      LEU  29   6.870   9.045  10.664
   18    H    SER  30           H        SER  30   6.543   9.167   6.640
   19    HA   SER  30           HA       SER  30   6.680  10.570   4.225
   20    HG   SER  30           HG       SER  30   7.928   7.181   4.608
   21    HB2  SER  30           2HB      SER  30   5.711   7.714   4.572
   22    HB3  SER  30           3HB      SER  30   6.555   8.430   3.180
   23    H    ASN  31           H        ASN  31   3.861  10.083   6.008
   24    HA   ASN  31           HA       ASN  31   1.671  10.306   5.754
   25    HB2  ASN  31           2HB      ASN  31   1.035  12.503   4.971
   26    HB3  ASN  31           3HB      ASN  31   2.450  12.513   5.976
   27   HD21  ASN  31          2HD2      ASN  31   4.563  12.974   4.959
   28   HD22  ASN  31          1HD2      ASN  31   4.562  13.846   3.428
   29    H    THR  32           H        THR  32   2.833   9.041   2.930
   30    HA   THR  32           HA       THR  32   0.092   8.951   1.730
   31    HB   THR  32           HB       THR  32   0.948   9.430  -0.385
   32    HG1  THR  32           1HG      THR  32   3.042   9.613  -0.857
   33   HG21  THR  32          1HG2      THR  32   1.799  11.642  -0.278
   34   HG22  THR  32          2HG2      THR  32   0.731  11.459   1.118
   35   HG23  THR  32          3HG2      THR  32   2.502  11.370   1.317
   36    H    ARG  33           H        ARG  33   1.567   6.619   3.198
   37    HA   ARG  33           HA       ARG  33   2.268   4.971   0.788
   38    HE   ARG  33           HE       ARG  33   6.702   6.304  -0.252
   39    HB2  ARG  33           2HB      ARG  33   3.934   5.447   3.211
   40    HB3  ARG  33           3HB      ARG  33   4.099   3.984   2.161
   41    HG2  ARG  33           2HG      ARG  33   4.678   5.164   0.335
   42    HG3  ARG  33           3HG      ARG  33   4.476   6.755   1.177
   43    HD2  ARG  33           2HD      ARG  33   6.394   6.398   2.484
   44    HD3  ARG  33           3HD      ARG  33   6.425   4.652   2.134
   45   HH11  ARG  33          1HH1      ARG  33   8.739   4.801   2.194
   46   HH12  ARG  33          2HH1      ARG  33   9.889   4.329   0.927
   47   HH21  ARG  33          2HH2      ARG  33   8.213   5.947  -1.552
   48   HH22  ARG  33          1HH2      ARG  33   9.780   5.280  -1.030
   49    H    LEU  34           H        LEU  34   1.751   3.042   0.704
   50    HA   LEU  34           HA       LEU  34   0.240   2.017   3.004
   51    HG   LEU  34           HG       LEU  34  -2.277   2.768   0.345
   52    HB2  LEU  34           2HB      LEU  34  -0.144   1.291   0.166
   53    HB3  LEU  34           3HB      LEU  34  -1.262   1.075   1.487
   54   HD11  LEU  34          1HD1      LEU  34  -0.618   4.814   1.757
   55   HD12  LEU  34          2HD1      LEU  34  -2.357   4.670   1.568
   56   HD13  LEU  34          3HD1      LEU  34  -1.545   3.635   2.711
   57   HD21  LEU  34          3HD2      LEU  34   0.412   3.519  -0.600
   58   HD22  LEU  34          1HD2      LEU  34  -1.080   3.264  -1.489
   59   HD23  LEU  34          2HD2      LEU  34  -0.786   4.769  -0.603
   60    H    PHE  35           H        PHE  35   1.212   0.640   4.142
   61    HA   PHE  35           HA       PHE  35   3.317  -1.089   2.985
   62    HD1  PHE  35           HD2      PHE  35   2.868  -2.547   6.613
   63    HD2  PHE  35           HD1      PHE  35   6.210  -0.329   5.038
   64    HE1  PHE  35           HE2      PHE  35   4.409  -3.952   7.903
   65    HE2  PHE  35           HE1      PHE  35   7.750  -1.728   6.356
   66    HZ   PHE  35           HZ       PHE  35   6.863  -3.554   7.789
   67    HB2  PHE  35           2HB      PHE  35   4.053   0.379   4.465
   68    HB3  PHE  35           3HB      PHE  35   2.920   0.315   5.640
   69    H    VAL  36           H        VAL  36   2.457  -2.812   2.219
   70    HA   VAL  36           HA       VAL  36   0.584  -4.415   3.904
   71    HB   VAL  36           HB       VAL  36  -0.777  -4.805   1.906
   72   HG11  VAL  36          1HG1      VAL  36  -0.611  -1.886   2.824
   73   HG12  VAL  36          2HG1      VAL  36  -2.026  -2.723   2.149
   74   HG13  VAL  36          3HG1      VAL  36  -1.371  -3.186   3.743
   75   HG21  VAL  36          3HG2      VAL  36  -0.721  -3.437   0.080
   76   HG22  VAL  36          1HG2      VAL  36   0.322  -2.183   0.857
   77   HG23  VAL  36          2HG2      VAL  36   0.998  -3.759   0.346
   78    H    ARG  37           H        ARG  37   1.029  -6.411   3.995
   79    HA   ARG  37           HA       ARG  37   2.948  -7.713   2.120
   80    HE   ARG  37           HE       ARG  37   4.134  -9.933   4.987
   81    HB2  ARG  37           2HB      ARG  37   4.567  -8.134   3.841
   82    HB3  ARG  37           3HB      ARG  37   4.228  -6.430   3.736
   83    HG2  ARG  37           2HG      ARG  37   3.802  -6.312   5.910
   84    HG3  ARG  37           3HG      ARG  37   2.443  -7.413   5.750
   85    HD2  ARG  37           2HD      ARG  37   5.351  -8.183   6.241
   86    HD3  ARG  37           3HD      ARG  37   4.067  -8.198   7.444
   87   HH11  ARG  37          2HH1      ARG  37   3.121  -9.730   8.367
   88   HH12  ARG  37          1HH1      ARG  37   2.242 -11.244   8.197
   89   HH21  ARG  37          2HH2      ARG  37   3.039 -11.781   4.956
   90   HH22  ARG  37          1HH2      ARG  37   2.272 -12.366   6.426
   91    HA   PRO  38           HA       PRO  38   0.381 -11.042   4.682
   92    HB2  PRO  38           2HB      PRO  38  -1.599 -10.769   2.391
   93    HB3  PRO  38           3HB      PRO  38  -1.899 -11.366   4.030
   94    HG2  PRO  38           2HG      PRO  38  -2.580  -8.893   3.289
   95    HG3  PRO  38           3HG      PRO  38  -1.833  -9.154   4.905
   96    HD2  PRO  38           2HD      PRO  38  -0.564  -8.001   2.459
   97    HD3  PRO  38           3HD      PRO  38  -0.324  -7.610   4.185
   98    H    PHE  39           H        PHE  39   0.371 -10.482   1.255
   99    HA   PHE  39           HA       PHE  39   0.269 -13.059   0.251
  100    HD1  PHE  39           HD2      PHE  39   2.403  -9.369  -0.519
  101    HD2  PHE  39           HD1      PHE  39  -1.849 -10.070  -0.769
  102    HE1  PHE  39           HE2      PHE  39   1.977  -6.955  -0.161
  103    HE2  PHE  39           HE1      PHE  39  -2.268  -7.670  -0.338
  104    HZ   PHE  39           HZ       PHE  39  -0.358  -6.096  -0.077
  105    HB2  PHE  39           2HB      PHE  39   1.433 -11.405  -1.689
  106    HB3  PHE  39           3HB      PHE  39  -0.266 -11.797  -1.479
  107    HA   PRO  40           HA       PRO  40   4.562 -14.537  -0.122
  108    HB2  PRO  40           2HB      PRO  40   3.168 -16.002  -2.373
  109    HB3  PRO  40           3HB      PRO  40   4.341 -16.621  -1.180
  110    HG2  PRO  40           2HG      PRO  40   1.709 -17.143  -0.903
  111    HG3  PRO  40           3HG      PRO  40   2.691 -16.682   0.521
  112    HD2  PRO  40           2HD      PRO  40   0.833 -14.955  -1.110
  113    HD3  PRO  40           3HD      PRO  40   1.054 -15.032   0.654
  114    H    LEU  41           H        LEU  41   5.599 -15.251  -2.569
  115    HA   LEU  41           HA       LEU  41   6.201 -12.824  -4.000
  116    HG   LEU  41           HG       LEU  41   9.114 -15.283  -4.071
  117    HB2  LEU  41           2HB      LEU  41   6.765 -15.730  -4.752
  118    HB3  LEU  41           3HB      LEU  41   7.525 -14.301  -5.421
  119   HD11  LEU  41          1HD1      LEU  41   9.643 -13.577  -2.417
  120   HD12  LEU  41          2HD1      LEU  41   8.989 -12.830  -3.896
  121   HD13  LEU  41          3HD1      LEU  41   7.963 -12.997  -2.446
  122   HD21  LEU  41          3HD2      LEU  41   7.585 -16.662  -2.613
  123   HD22  LEU  41          1HD2      LEU  41   8.976 -15.927  -1.806
  124   HD23  LEU  41          2HD2      LEU  41   7.377 -15.219  -1.582
  125    H    ASP  42           H        ASP  42   3.333 -13.347  -4.069
  126    HA   ASP  42           HA       ASP  42   2.830 -13.897  -6.970
  127    HB2  ASP  42           2HB      ASP  42   0.777 -14.998  -6.309
  128    HB3  ASP  42           3HB      ASP  42   2.209 -15.825  -5.690
  129    H    VAL  43           H        VAL  43   2.060 -11.654  -4.377
  130    HA   VAL  43           HA       VAL  43  -0.158 -10.364  -5.714
  131    HB   VAL  43           HB       VAL  43   0.395  -9.934  -3.382
  132   HG11  VAL  43          1HG1      VAL  43   2.303  -8.405  -2.817
  133   HG12  VAL  43          2HG1      VAL  43   2.812  -9.992  -3.433
  134   HG13  VAL  43          3HG1      VAL  43   2.875  -8.544  -4.475
  135   HG21  VAL  43          3HG2      VAL  43  -0.925  -8.236  -4.583
  136   HG22  VAL  43          1HG2      VAL  43   0.054  -7.544  -3.296
  137   HG23  VAL  43          2HG2      VAL  43   0.562  -7.341  -4.969
  138    H    GLN  44           H        GLN  44  -0.106  -8.413  -7.008
  139    HA   GLN  44           HA       GLN  44   2.459  -7.656  -8.253
  140    HB2  GLN  44           2HB      GLN  44  -0.022  -8.475  -9.858
  141    HB3  GLN  44           3HB      GLN  44   1.467  -7.863 -10.554
  142    HG2  GLN  44           2HG      GLN  44   1.302 -10.540  -9.110
  143    HG3  GLN  44           3HG      GLN  44   0.979 -10.326 -10.814
  144   HE21  GLN  44          1HE2      GLN  44   3.580 -10.086  -8.372
  145   HE22  GLN  44          2HE2      GLN  44   4.869 -10.296  -9.555
  146    H    GLU  45           H        GLU  45   2.218  -5.709  -9.622
  147    HA   GLU  45           HA       GLU  45   0.674  -3.600  -8.479
  148    HB2  GLU  45           2HB      GLU  45   1.389  -2.287 -10.244
  149    HB3  GLU  45           3HB      GLU  45   2.707  -3.421  -9.980
  150    HG2  GLU  45           2HG      GLU  45   0.584  -3.498 -12.144
  151    HG3  GLU  45           3HG      GLU  45   2.283  -3.067 -12.352
  152    H    SER  46           H        SER  46  -0.336  -6.035 -10.824
  153    HA   SER  46           HA       SER  46  -2.831  -4.828 -11.558
  154    HG   SER  46           HG       SER  46  -0.746  -6.351 -12.933
  155    HB2  SER  46           2HB      SER  46  -1.938  -7.728 -11.515
  156    HB3  SER  46           3HB      SER  46  -3.425  -7.127 -12.272
  157    H    GLU  47           H        GLU  47  -1.897  -6.682  -8.640
  158    HA   GLU  47           HA       GLU  47  -4.637  -7.470  -7.871
  159    HB2  GLU  47           2HB      GLU  47  -1.851  -7.631  -6.628
  160    HB3  GLU  47           3HB      GLU  47  -3.285  -8.070  -5.796
  161    HG2  GLU  47           2HG      GLU  47  -2.089  -9.402  -8.240
  162    HG3  GLU  47           3HG      GLU  47  -2.182 -10.037  -6.605
  163    H    LEU  48           H        LEU  48  -1.940  -5.267  -7.139
  164    HA   LEU  48           HA       LEU  48  -3.296  -3.755  -5.108
  165    HG   LEU  48           HG       LEU  48  -0.788  -5.260  -5.211
  166    HB2  LEU  48           2HB      LEU  48  -0.920  -3.056  -6.837
  167    HB3  LEU  48           3HB      LEU  48  -1.362  -2.286  -5.434
  168   HD11  LEU  48          1HD1      LEU  48   1.580  -4.888  -5.058
  169   HD12  LEU  48          2HD1      LEU  48   1.004  -4.346  -6.619
  170   HD13  LEU  48          3HD1      LEU  48   1.376  -3.145  -5.368
  171   HD21  LEU  48          3HD2      LEU  48  -0.099  -2.832  -3.544
  172   HD22  LEU  48          1HD2      LEU  48  -1.238  -4.185  -3.134
  173   HD23  LEU  48          2HD2      LEU  48   0.488  -4.505  -3.233
  174    H    ASN  49           H        ASN  49  -3.041  -3.518  -8.666
  175    HA   ASN  49           HA       ASN  49  -4.559  -1.057  -8.912
  176    HB2  ASN  49           2HB      ASN  49  -3.879  -3.239 -10.787
  177    HB3  ASN  49           3HB      ASN  49  -5.394  -2.435 -11.126
  178   HD21  ASN  49          2HD2      ASN  49  -1.932  -1.840 -10.622
  179   HD22  ASN  49          1HD2      ASN  49  -1.911  -0.337 -11.555
  180    H    GLU  50           H        GLU  50  -5.775  -4.436  -8.622
  181    HA   GLU  50           HA       GLU  50  -8.545  -3.616  -8.618
  182    HB2  GLU  50           2HB      GLU  50  -6.995  -6.068  -7.999
  183    HB3  GLU  50           3HB      GLU  50  -8.497  -5.895  -7.076
  184    HG2  GLU  50           2HG      GLU  50  -9.668  -5.384  -9.302
  185    HG3  GLU  50           3HG      GLU  50  -8.178  -5.875 -10.107
  186    H    ILE  51           H        ILE  51  -6.194  -3.793  -5.950
  187    HA   ILE  51           HA       ILE  51  -8.249  -3.346  -3.898
  188    HB   ILE  51           HB       ILE  51  -5.254  -3.453  -3.924
  189   HG12  ILE  51          2HG1      ILE  51  -7.100  -5.487  -2.634
  190   HG13  ILE  51          3HG1      ILE  51  -6.611  -5.601  -4.319
  191   HG21  ILE  51          1HG2      ILE  51  -5.895  -2.030  -1.988
  192   HG22  ILE  51          2HG2      ILE  51  -7.094  -3.242  -1.492
  193   HG23  ILE  51          3HG2      ILE  51  -5.355  -3.593  -1.395
  194   HD11  ILE  51          3HD1      ILE  51  -4.178  -5.510  -3.549
  195   HD12  ILE  51          1HD1      ILE  51  -4.783  -5.729  -1.896
  196   HD13  ILE  51          2HD1      ILE  51  -5.078  -6.964  -3.128
  197    H    PHE  52           H        PHE  52  -5.734  -1.341  -5.427
  198    HA   PHE  52           HA       PHE  52  -6.365   0.973  -3.705
  199    HD1  PHE  52           HD1      PHE  52  -3.936  -1.861  -4.190
  200    HD2  PHE  52           HD2      PHE  52  -3.463   1.899  -2.183
  201    HE1  PHE  52           HE1      PHE  52  -2.765  -3.021  -2.381
  202    HE2  PHE  52           HE2      PHE  52  -2.160   0.729  -0.451
  203    HZ   PHE  52           HZ       PHE  52  -1.682  -1.705  -0.614
  204    HB2  PHE  52           2HB      PHE  52  -3.978   0.380  -5.405
  205    HB3  PHE  52           3HB      PHE  52  -4.194   1.845  -4.470
  206    H    GLY  53           H        GLY  53  -6.580  -0.033  -7.057
  207    HA2  GLY  53           2HA      GLY  53  -6.825   2.430  -8.430
  208    HA3  GLY  53           3HA      GLY  53  -7.653   0.925  -8.829
  209    HA   PRO  54           HA       PRO  54 -11.513   2.496  -6.945
  210    HB2  PRO  54           2HB      PRO  54 -11.026   1.554  -4.125
  211    HB3  PRO  54           3HB      PRO  54 -12.490   1.373  -5.142
  212    HG2  PRO  54           2HG      PRO  54 -10.833  -0.731  -4.779
  213    HG3  PRO  54           3HG      PRO  54 -11.454  -0.380  -6.431
  214    HD2  PRO  54           2HD      PRO  54  -8.836   0.486  -5.191
  215    HD3  PRO  54           3HD      PRO  54  -9.049  -0.393  -6.721
  216    H    PHE  55           H        PHE  55  -8.625   3.159  -4.944
  217    HA   PHE  55           HA       PHE  55  -9.749   5.533  -3.659
  218    HD1  PHE  55           HD2      PHE  55  -9.844   3.582  -2.316
  219    HD2  PHE  55           HD1      PHE  55  -5.573   3.505  -2.621
  220    HE1  PHE  55           HE2      PHE  55  -9.828   1.375  -1.191
  221    HE2  PHE  55           HE1      PHE  55  -5.538   1.403  -1.190
  222    HZ   PHE  55           HZ       PHE  55  -7.685   0.325  -0.591
  223    HB2  PHE  55           2HB      PHE  55  -6.810   4.886  -3.943
  224    HB3  PHE  55           3HB      PHE  55  -7.591   5.823  -2.716
  225    H    GLY  56           H        GLY  56  -7.445   4.782  -6.237
  226    HA2  GLY  56           2HA      GLY  56  -7.825   5.952  -8.298
  227    HA3  GLY  56           3HA      GLY  56  -7.924   7.467  -7.398
  228    HA   PRO  57           HA       PRO  57  -3.866   8.327  -8.357
  229    HB2  PRO  57           2HB      PRO  57  -2.934   9.967  -6.443
  230    HB3  PRO  57           3HB      PRO  57  -4.526  10.250  -7.195
  231    HG2  PRO  57           2HG      PRO  57  -3.954   8.760  -4.610
  232    HG3  PRO  57           3HG      PRO  57  -5.062  10.150  -4.863
  233    HD2  PRO  57           2HD      PRO  57  -5.879   7.512  -4.946
  234    HD3  PRO  57           3HD      PRO  57  -6.678   8.808  -5.880
  235    H    MET  58           H        MET  58  -3.696   5.579  -7.312
  236    HA   MET  58           HA       MET  58  -1.275   4.983  -5.832
  237    HB2  MET  58           2HB      MET  58  -1.167   3.003  -7.264
  238    HB3  MET  58           3HB      MET  58  -2.593   3.196  -6.247
  239    HG2  MET  58           2HG      MET  58  -4.035   3.414  -7.995
  240    HG3  MET  58           3HG      MET  58  -2.848   4.180  -9.057
  241    HE1  MET  58           3HE      MET  58  -3.977   0.717  -7.482
  242    HE2  MET  58           1HE      MET  58  -2.654  -0.325  -8.088
  243    HE3  MET  58           2HE      MET  58  -2.310   0.975  -6.944
  244    H    LYS  59           H        LYS  59   0.430   6.185  -6.122
  245    HA   LYS  59           HA       LYS  59   1.366   7.111  -8.759
  246    HB2  LYS  59           2HB      LYS  59   0.570   8.528  -6.846
  247    HB3  LYS  59           3HB      LYS  59   1.869   7.879  -5.854
  248    HG2  LYS  59           2HG      LYS  59   2.404   9.417  -8.386
  249    HG3  LYS  59           3HG      LYS  59   1.934  10.180  -6.886
  250    HD2  LYS  59           2HD      LYS  59   4.501   8.775  -7.470
  251    HD3  LYS  59           3HD      LYS  59   4.099  10.388  -6.887
  252    HE2  LYS  59           2HE      LYS  59   3.685   9.737  -4.723
  253    HE3  LYS  59           3HE      LYS  59   3.791   8.000  -5.113
  254    HZ1  LYS  59           3HZ      LYS  59   6.067   9.889  -5.423
  255    HZ2  LYS  59           1HZ      LYS  59   5.866   8.924  -4.126
  256    HZ3  LYS  59           2HZ      LYS  59   6.153   8.260  -5.588
  257    H    GLU  60           H        GLU  60   2.313   5.185  -5.958
  258    HA   GLU  60           HA       GLU  60   4.474   4.043  -7.531
  259    HB2  GLU  60           2HB      GLU  60   5.190   6.012  -5.626
  260    HB3  GLU  60           3HB      GLU  60   5.445   4.480  -4.777
  261    HG2  GLU  60           2HG      GLU  60   7.010   3.736  -6.452
  262    HG3  GLU  60           3HG      GLU  60   6.613   5.093  -7.514
  263    H    VAL  61           H        VAL  61   5.251   2.149  -6.884
  264    HA   VAL  61           HA       VAL  61   3.515   0.516  -5.161
  265    HB   VAL  61           HB       VAL  61   3.775  -0.129  -8.165
  266   HG11  VAL  61          1HG1      VAL  61   2.036  -1.666  -7.848
  267   HG12  VAL  61          2HG1      VAL  61   3.024  -1.796  -6.367
  268   HG13  VAL  61          3HG1      VAL  61   1.499  -0.902  -6.327
  269   HG21  VAL  61          3HG2      VAL  61   2.577   1.964  -8.305
  270   HG22  VAL  61          1HG2      VAL  61   1.505   0.614  -8.663
  271   HG23  VAL  61          2HG2      VAL  61   1.405   1.419  -7.085
  272    H    LYS  62           H        LYS  62   5.660   0.708  -4.232
  273    HA   LYS  62           HA       LYS  62   7.946  -0.609  -5.516
  274    HB2  LYS  62           2HB      LYS  62   7.544  -0.037  -2.564
  275    HB3  LYS  62           3HB      LYS  62   9.057  -0.228  -3.424
  276    HG2  LYS  62           2HG      LYS  62   8.487   1.939  -4.688
  277    HG3  LYS  62           3HG      LYS  62   7.067   2.094  -3.649
  278    HD2  LYS  62           2HD      LYS  62   8.504   3.416  -2.471
  279    HD3  LYS  62           3HD      LYS  62   8.783   1.875  -1.662
  280    HE2  LYS  62           2HE      LYS  62  10.979   2.399  -2.080
  281    HE3  LYS  62           3HE      LYS  62  10.613   1.610  -3.619
  282    HZ1  LYS  62           3HZ      LYS  62  10.913   4.466  -3.004
  283    HZ2  LYS  62           1HZ      LYS  62  11.537   3.643  -4.253
  284    HZ3  LYS  62           2HZ      LYS  62   9.949   4.078  -4.283
  285    H    ILE  63           H        ILE  63   8.034  -2.802  -5.710
  286    HA   ILE  63           HA       ILE  63   6.538  -4.509  -3.764
  287    HB   ILE  63           HB       ILE  63   6.579  -4.895  -6.765
  288   HG12  ILE  63          2HG1      ILE  63   4.301  -4.277  -4.820
  289   HG13  ILE  63          3HG1      ILE  63   5.010  -3.150  -5.953
  290   HG21  ILE  63          1HG2      ILE  63   6.706  -7.085  -5.593
  291   HG22  ILE  63          2HG2      ILE  63   5.331  -6.623  -4.572
  292   HG23  ILE  63          3HG2      ILE  63   5.122  -6.870  -6.313
  293   HD11  ILE  63          3HD1      ILE  63   3.051  -3.799  -7.018
  294   HD12  ILE  63          1HD1      ILE  63   4.270  -4.785  -7.827
  295   HD13  ILE  63          2HD1      ILE  63   3.214  -5.485  -6.553
  296    H    LEU  64           H        LEU  64   7.552  -5.962  -2.832
  297    HA   LEU  64           HA       LEU  64  10.257  -6.934  -3.638
  298    HG   LEU  64           HG       LEU  64  11.468  -4.725  -2.464
  299    HB2  LEU  64           2HB      LEU  64   9.245  -6.059  -0.906
  300    HB3  LEU  64           3HB      LEU  64  10.822  -6.735  -1.235
  301   HD11  LEU  64          1HD1      LEU  64   9.802  -3.467  -3.327
  302   HD12  LEU  64          2HD1      LEU  64   8.677  -3.799  -1.995
  303   HD13  LEU  64          3HD1      LEU  64   9.987  -2.613  -1.807
  304   HD21  LEU  64          3HD2      LEU  64  10.482  -4.456   0.350
  305   HD22  LEU  64          1HD2      LEU  64  12.067  -4.995  -0.202
  306   HD23  LEU  64          2HD2      LEU  64  11.594  -3.303  -0.431
  307    H    ASN  65           H        ASN  65  10.709  -8.608  -1.741
  308    HA   ASN  65           HA       ASN  65   9.828 -11.069  -2.361
  309    HB2  ASN  65           2HB      ASN  65  10.736 -10.343   0.393
  310    HB3  ASN  65           3HB      ASN  65  11.163 -11.795  -0.502
  311   HD21  ASN  65          2HD2      ASN  65  12.217  -8.728   0.453
  312   HD22  ASN  65          1HD2      ASN  65  13.508  -8.527  -0.704
  313    H    GLY  66           H        GLY  66   7.277 -10.010  -1.956
  314    HA2  GLY  66           2HA      GLY  66   5.301 -10.906  -1.089
  315    HA3  GLY  66           3HA      GLY  66   6.068 -11.459   0.375
  316    H    PHE  67           H        PHE  67   6.747  -8.237  -0.982
  317    HA   PHE  67           HA       PHE  67   4.914  -6.953   1.005
  318    HD1  PHE  67           HD1      PHE  67   8.878  -8.209   0.756
  319    HD2  PHE  67           HD2      PHE  67   6.522  -6.433   3.897
  320    HE1  PHE  67           HE1      PHE  67   9.735  -9.895   2.367
  321    HE2  PHE  67           HE2      PHE  67   7.455  -8.066   5.521
  322    HZ   PHE  67           HZ       PHE  67   9.045  -9.815   4.751
  323    HB2  PHE  67           2HB      PHE  67   7.718  -5.952   0.530
  324    HB3  PHE  67           3HB      PHE  67   6.575  -5.425   1.729
  325    H    ALA  68           H        ALA  68   4.083  -5.002   0.433
  326    HA   ALA  68           HA       ALA  68   4.887  -3.661  -2.093
  327    HB1  ALA  68           1HB      ALA  68   3.018  -4.964  -2.737
  328    HB2  ALA  68           2HB      ALA  68   2.100  -4.497  -1.306
  329    HB3  ALA  68           3HB      ALA  68   2.492  -3.279  -2.547
  330    H    PHE  69           H        PHE  69   5.242  -1.682  -1.825
  331    HA   PHE  69           HA       PHE  69   4.080  -0.130   0.401
  332    HD1  PHE  69           HD2      PHE  69   7.331  -1.923  -0.991
  333    HD2  PHE  69           HD1      PHE  69   6.820   0.059   2.786
  334    HE1  PHE  69           HE2      PHE  69   8.488  -3.778   0.128
  335    HE2  PHE  69           HE1      PHE  69   8.179  -1.738   3.881
  336    HZ   PHE  69           HZ       PHE  69   9.078  -3.653   2.473
  337    HB2  PHE  69           2HB      PHE  69   6.772   0.634  -0.692
  338    HB3  PHE  69           3HB      PHE  69   6.013   1.092   0.801
  339    H    VAL  70           H        VAL  70   2.413   0.207  -0.852
  340    HA   VAL  70           HA       VAL  70   2.733   1.559  -3.443
  341    HB   VAL  70           HB       VAL  70   0.106   1.415  -2.012
  342   HG11  VAL  70          1HG1      VAL  70  -0.723   1.047  -4.335
  343   HG12  VAL  70          2HG1      VAL  70   0.255   2.544  -4.331
  344   HG13  VAL  70          3HG1      VAL  70   0.923   0.979  -4.927
  345   HG21  VAL  70          3HG2      VAL  70  -0.270  -0.671  -3.272
  346   HG22  VAL  70          1HG2      VAL  70   1.481  -0.653  -3.710
  347   HG23  VAL  70          2HG2      VAL  70   0.941  -0.874  -1.991
  348    H    GLU  71           H        GLU  71   1.883   3.745  -3.733
  349    HA   GLU  71           HA       GLU  71   2.189   5.529  -1.371
  350    HB2  GLU  71           2HB      GLU  71   4.466   4.843  -2.486
  351    HB3  GLU  71           3HB      GLU  71   3.904   5.846  -3.836
  352    HG2  GLU  71           2HG      GLU  71   3.685   7.805  -2.484
  353    HG3  GLU  71           3HG      GLU  71   4.024   6.906  -1.016
  354    H    PHE  72           H        PHE  72   1.473   7.588  -1.809
  355    HA   PHE  72           HA       PHE  72   0.358   8.239  -4.518
  356    HD1  PHE  72           HD2      PHE  72  -1.574   6.563  -4.460
  357    HD2  PHE  72           HD1      PHE  72  -1.883   7.795  -0.365
  358    HE1  PHE  72           HE2      PHE  72  -2.964   4.551  -3.983
  359    HE2  PHE  72           HE1      PHE  72  -3.354   5.841   0.084
  360    HZ   PHE  72           HZ       PHE  72  -3.837   4.202  -1.672
  361    HB2  PHE  72           2HB      PHE  72  -0.790   9.181  -1.876
  362    HB3  PHE  72           3HB      PHE  72  -1.538   9.195  -3.460
  363    H    GLU  73           H        GLU  73   0.096  10.520  -4.914
  364    HA   GLU  73           HA       GLU  73   2.188  12.160  -3.575
  365    HB2  GLU  73           2HB      GLU  73   2.064  13.688  -5.409
  366    HB3  GLU  73           3HB      GLU  73   2.495  12.050  -5.886
  367    HG2  GLU  73           2HG      GLU  73   0.126  11.692  -6.669
  368    HG3  GLU  73           3HG      GLU  73  -0.264  13.345  -6.206
  369    H    GLU  74           H        GLU  74  -0.572  11.289  -2.659
  370    HA   GLU  74           HA       GLU  74  -1.910  13.858  -1.976
  371    HB2  GLU  74           2HB      GLU  74  -2.919  12.828  -4.016
  372    HB3  GLU  74           3HB      GLU  74  -3.199  11.336  -3.123
  373    HG2  GLU  74           2HG      GLU  74  -4.676  12.631  -1.537
  374    HG3  GLU  74           3HG      GLU  74  -4.446  14.055  -2.544
  375    H    ALA  75           H        ALA  75  -1.475  13.823   0.229
  376    HA   ALA  75           HA       ALA  75  -1.471  11.619   2.014
  377    HB1  ALA  75           1HB      ALA  75  -1.780  13.305   3.744
  378    HB2  ALA  75           2HB      ALA  75  -0.597  13.839   2.535
  379    HB3  ALA  75           3HB      ALA  75  -2.248  14.510   2.524
  380    H    GLU  76           H        GLU  76  -4.220  13.462   0.693
  381    HA   GLU  76           HA       GLU  76  -6.248  12.332   2.416
  382    HB2  GLU  76           2HB      GLU  76  -6.585  13.452  -0.385
  383    HB3  GLU  76           3HB      GLU  76  -7.843  13.223   0.815
  384    HG2  GLU  76           2HG      GLU  76  -5.525  15.193   0.921
  385    HG3  GLU  76           3HG      GLU  76  -7.225  15.568   0.686
  386    H    SER  77           H        SER  77  -4.584  11.007  -0.412
  387    HA   SER  77           HA       SER  77  -6.591   8.890  -0.724
  388    HG   SER  77           HG       SER  77  -4.670   6.864  -2.226
  389    HB2  SER  77           2HB      SER  77  -5.090   9.516  -2.618
  390    HB3  SER  77           3HB      SER  77  -3.757   8.796  -1.779
  391    H    ALA  78           H        ALA  78  -3.534   9.361   1.069
  392    HA   ALA  78           HA       ALA  78  -3.510   6.630   2.046
  393    HB1  ALA  78           1HB      ALA  78  -2.320   9.193   3.106
  394    HB2  ALA  78           2HB      ALA  78  -2.090   7.580   3.851
  395    HB3  ALA  78           3HB      ALA  78  -1.568   7.872   2.184
  396    H    ALA  79           H        ALA  79  -4.977   9.653   3.428
  397    HA   ALA  79           HA       ALA  79  -6.385   8.500   5.556
  398    HB1  ALA  79           1HB      ALA  79  -7.928  10.349   5.351
  399    HB2  ALA  79           2HB      ALA  79  -6.271  10.909   5.054
  400    HB3  ALA  79           3HB      ALA  79  -7.392  10.677   3.694
  401    H    LYS  80           H        LYS  80  -7.656   8.701   2.131
  402    HA   LYS  80           HA       LYS  80  -9.916   7.151   2.896
  403    HB2  LYS  80           2HB      LYS  80 -10.693   7.372   0.756
  404    HB3  LYS  80           3HB      LYS  80  -9.602   8.752   0.845
  405    HG2  LYS  80           2HG      LYS  80  -7.910   7.299  -0.440
  406    HG3  LYS  80           3HG      LYS  80  -9.181   6.101  -0.579
  407    HD2  LYS  80           2HD      LYS  80  -9.609   7.275  -2.533
  408    HD3  LYS  80           3HD      LYS  80 -10.620   8.175  -1.448
  409    HE2  LYS  80           2HE      LYS  80  -9.610   9.887  -2.578
  410    HE3  LYS  80           3HE      LYS  80  -8.516   9.759  -1.193
  411    HZ1  LYS  80           3HZ      LYS  80  -7.082   8.378  -2.723
  412    HZ2  LYS  80           1HZ      LYS  80  -8.139   8.693  -3.937
  413    HZ3  LYS  80           2HZ      LYS  80  -7.299   9.933  -3.221
  414    H    ALA  81           H        ALA  81  -6.870   6.132   1.438
  415    HA   ALA  81           HA       ALA  81  -7.564   3.443   0.908
  416    HB1  ALA  81           1HB      ALA  81  -5.553   4.568   0.040
  417    HB2  ALA  81           2HB      ALA  81  -4.825   4.528   1.658
  418    HB3  ALA  81           3HB      ALA  81  -5.168   3.025   0.780
  419    H    ILE  82           H        ILE  82  -6.260   5.040   3.866
  420    HA   ILE  82           HA       ILE  82  -6.068   2.802   5.541
  421    HB   ILE  82           HB       ILE  82  -6.770   5.655   6.254
  422   HG12  ILE  82          2HG1      ILE  82  -4.133   4.417   6.982
  423   HG13  ILE  82          3HG1      ILE  82  -4.352   4.866   5.308
  424   HG21  ILE  82          1HG2      ILE  82  -6.097   5.118   8.592
  425   HG22  ILE  82          2HG2      ILE  82  -7.536   4.237   8.105
  426   HG23  ILE  82          3HG2      ILE  82  -5.964   3.409   8.152
  427   HD11  ILE  82          3HD1      ILE  82  -3.370   6.743   6.463
  428   HD12  ILE  82          1HD1      ILE  82  -5.060   7.139   6.093
  429   HD13  ILE  82          2HD1      ILE  82  -4.616   6.683   7.737
  430    H    GLU  83           H        GLU  83  -8.824   5.130   5.312
  431    HA   GLU  83           HA       GLU  83 -10.529   3.558   6.983
  432    HB2  GLU  83           2HB      GLU  83 -11.170   5.650   4.892
  433    HB3  GLU  83           3HB      GLU  83 -12.353   4.976   6.019
  434    HG2  GLU  83           2HG      GLU  83  -9.820   6.501   6.808
  435    HG3  GLU  83           3HG      GLU  83 -11.454   7.144   6.779
  436    H    GLU  84           H        GLU  84  -9.837   3.201   3.571
  437    HA   GLU  84           HA       GLU  84 -12.154   1.555   2.895
  438    HB2  GLU  84           2HB      GLU  84  -9.475   2.091   1.549
  439    HB3  GLU  84           3HB      GLU  84 -10.640   0.959   0.885
  440    HG2  GLU  84           2HG      GLU  84 -11.478   3.776   1.482
  441    HG3  GLU  84           3HG      GLU  84 -10.554   3.452   0.030
  442    H    VAL  85           H        VAL  85  -8.699   0.824   3.658
  443    HA   VAL  85           HA       VAL  85  -9.450  -2.026   4.071
  444    HB   VAL  85           HB       VAL  85  -9.218  -1.486   1.671
  445   HG11  VAL  85          1HG1      VAL  85  -6.326  -1.049   2.330
  446   HG12  VAL  85          2HG1      VAL  85  -6.953  -1.294   0.696
  447   HG13  VAL  85          3HG1      VAL  85  -7.480   0.119   1.621
  448   HG21  VAL  85          3HG2      VAL  85  -9.063  -3.775   2.410
  449   HG22  VAL  85          1HG2      VAL  85  -8.024  -3.462   1.009
  450   HG23  VAL  85          2HG2      VAL  85  -7.312  -3.614   2.621
  451    H    HIS  86           H        HIS  86  -7.798   0.339   5.565
  452    HA   HIS  86           HA       HIS  86  -5.431  -1.229   6.375
  453    HD1  HIS  86           HD1      HIS  86  -3.208   1.531   7.554
  454    HD2  HIS  86           HD2      HIS  86  -5.906  -0.413  10.124
  455    HE1  HIS  86           HE1      HIS  86  -1.943   1.099   9.748
  456    HB2  HIS  86           2HB      HIS  86  -5.528   1.225   6.554
  457    HB3  HIS  86           3HB      HIS  86  -6.790   1.104   7.784
  458    H    GLY  87           H        GLY  87  -5.608  -3.031   7.503
  459    HA2  GLY  87           2HA      GLY  87  -5.841  -4.172   9.583
  460    HA3  GLY  87           3HA      GLY  87  -7.172  -3.111  10.043
  461    H    LYS  88           H        LYS  88  -7.745  -3.764   6.948
  462    HA   LYS  88           HA       LYS  88  -9.732  -5.901   7.277
  463    HB2  LYS  88           2HB      LYS  88  -8.864  -3.879   5.229
  464    HB3  LYS  88           3HB      LYS  88  -9.652  -5.275   4.655
  465    HG2  LYS  88           2HG      LYS  88 -11.281  -3.467   4.975
  466    HG3  LYS  88           3HG      LYS  88 -11.627  -4.800   6.058
  467    HD2  LYS  88           2HD      LYS  88 -11.969  -3.090   7.518
  468    HD3  LYS  88           3HD      LYS  88 -10.275  -3.338   7.834
  469    HE2  LYS  88           2HE      LYS  88 -10.514  -1.036   7.728
  470    HE3  LYS  88           3HE      LYS  88  -9.782  -1.448   6.183
  471    HZ1  LYS  88           3HZ      LYS  88 -12.707  -1.027   6.571
  472    HZ2  LYS  88           1HZ      LYS  88 -11.706   0.143   6.043
  473    HZ3  LYS  88           2HZ      LYS  88 -11.937  -1.185   5.127
  474    H    SER  89           H        SER  89  -9.497  -7.842   6.518
  475    HA   SER  89           HA       SER  89  -6.805  -8.939   6.280
  476    HG   SER  89           HG       SER  89 -10.040 -10.337   5.409
  477    HB2  SER  89           2HB      SER  89  -8.024 -11.127   6.257
  478    HB3  SER  89           3HB      SER  89  -8.309 -10.102   7.675
  479    H    PHE  90           H        PHE  90  -5.699  -8.942   4.339
  480    HA   PHE  90           HA       PHE  90  -7.243  -9.903   1.942
  481    HD1  PHE  90           HD1      PHE  90  -3.989  -9.832  -0.088
  482    HD2  PHE  90           HD2      PHE  90  -7.698  -7.652   0.166
  483    HE1  PHE  90           HE1      PHE  90  -4.432 -10.314  -2.491
  484    HE2  PHE  90           HE2      PHE  90  -8.141  -8.131  -2.240
  485    HZ   PHE  90           HZ       PHE  90  -6.531  -9.501  -3.541
  486    HB2  PHE  90           2HB      PHE  90  -6.104  -7.611   1.958
  487    HB3  PHE  90           3HB      PHE  90  -4.588  -8.492   1.971
  488    H    ALA  91           H        ALA  91  -6.513 -11.625   0.838
  489    HA   ALA  91           HA       ALA  91  -5.730 -13.677   0.448
  490    HB1  ALA  91           1HB      ALA  91  -3.845 -12.359  -0.343
  491    HB2  ALA  91           2HB      ALA  91  -3.092 -12.402   1.268
  492    HB3  ALA  91           3HB      ALA  91  -3.278 -13.898   0.331
  493    H    ASN  92           H        ASN  92  -3.998 -12.828   3.452
  494    HA   ASN  92           HA       ASN  92  -4.918 -15.223   4.877
  495    HB2  ASN  92           2HB      ASN  92  -2.561 -16.011   5.239
  496    HB3  ASN  92           3HB      ASN  92  -3.117 -16.166   3.586
  497   HD21  ASN  92          2HD2      ASN  92  -0.459 -15.148   5.431
  498   HD22  ASN  92          1HD2      ASN  92   0.271 -14.178   4.137
  499    H    GLN  93           H        GLN  93  -4.211 -11.933   5.024
  500    HA   GLN  93           HA       GLN  93  -4.501 -11.711   7.825
  501    HB2  GLN  93           2HB      GLN  93  -2.093 -10.740   8.233
  502    HB3  GLN  93           3HB      GLN  93  -2.488 -12.413   8.469
  503    HG2  GLN  93           2HG      GLN  93  -1.502 -12.481   5.882
  504    HG3  GLN  93           3HG      GLN  93  -0.651 -11.100   6.538
  505   HE21  GLN  93          2HE2      GLN  93  -1.657 -14.425   7.605
  506   HE22  GLN  93          1HE2      GLN  93  -0.062 -14.844   8.241
  507    HA   PRO  94           HA       PRO  94  -5.235  -7.626   6.629
  508    HB2  PRO  94           2HB      PRO  94  -4.845  -6.086   8.919
  509    HB3  PRO  94           3HB      PRO  94  -6.179  -7.263   8.737
  510    HG2  PRO  94           2HG      PRO  94  -3.452  -7.713  10.016
  511    HG3  PRO  94           3HG      PRO  94  -5.067  -8.062  10.724
  512    HD2  PRO  94           2HD      PRO  94  -3.613  -9.978   9.538
  513    HD3  PRO  94           3HD      PRO  94  -5.372  -9.893   9.233
  514    H    LEU  95           H        LEU  95  -4.719  -5.514   6.379
  515    HA   LEU  95           HA       LEU  95  -1.991  -5.019   5.392
  516    HG   LEU  95           HG       LEU  95  -2.937  -4.728   2.727
  517    HB2  LEU  95           2HB      LEU  95  -4.882  -4.206   4.907
  518    HB3  LEU  95           3HB      LEU  95  -3.612  -3.210   4.273
  519   HD11  LEU  95          1HD1      LEU  95  -2.428  -6.592   4.103
  520   HD12  LEU  95          2HD1      LEU  95  -4.145  -7.088   4.019
  521   HD13  LEU  95          3HD1      LEU  95  -3.116  -6.947   2.539
  522   HD21  LEU  95          3HD2      LEU  95  -5.804  -5.517   3.014
  523   HD22  LEU  95          1HD2      LEU  95  -5.177  -4.098   2.110
  524   HD23  LEU  95          2HD2      LEU  95  -4.775  -5.751   1.582
  525    H    GLU  96           H        GLU  96  -0.786  -3.196   5.752
  526    HA   GLU  96           HA       GLU  96  -1.794  -1.255   7.785
  527    HB2  GLU  96           2HB      GLU  96   0.245  -2.873   8.254
  528    HB3  GLU  96           3HB      GLU  96   1.134  -1.635   7.367
  529    HG2  GLU  96           2HG      GLU  96  -0.006   0.100   8.864
  530    HG3  GLU  96           3HG      GLU  96  -0.462  -1.253   9.903
  531    H    VAL  97           H        VAL  97  -2.712  -0.788   5.561
  532    HA   VAL  97           HA       VAL  97  -1.312   0.884   3.684
  533    HB   VAL  97           HB       VAL  97  -4.207   0.695   4.642
  534   HG11  VAL  97          1HG1      VAL  97  -4.940   1.794   2.618
  535   HG12  VAL  97          2HG1      VAL  97  -3.972   2.908   3.596
  536   HG13  VAL  97          3HG1      VAL  97  -3.290   2.125   2.144
  537   HG21  VAL  97          3HG2      VAL  97  -4.368  -0.300   2.133
  538   HG22  VAL  97          1HG2      VAL  97  -2.644  -0.513   2.313
  539   HG23  VAL  97          2HG2      VAL  97  -3.761  -1.305   3.451
  540    H    VAL  98           H        VAL  98  -0.193   2.737   4.499
  541    HA   VAL  98           HA       VAL  98  -1.757   4.506   6.300
  542    HB   VAL  98           HB       VAL  98  -0.756   2.253   7.339
  543   HG11  VAL  98          1HG1      VAL  98   1.171   2.129   8.396
  544   HG12  VAL  98          2HG1      VAL  98   1.616   2.668   6.784
  545   HG13  VAL  98          3HG1      VAL  98   1.617   3.803   8.177
  546   HG21  VAL  98          3HG2      VAL  98  -2.258   3.549   8.321
  547   HG22  VAL  98          1HG2      VAL  98  -0.953   3.222   9.481
  548   HG23  VAL  98          2HG2      VAL  98  -1.074   4.840   8.726
  549    H    TYR  99           H        TYR  99   0.829   5.242   7.550
  550    HA   TYR  99           HA       TYR  99   2.094   6.937   5.433
  551    HD1  TYR  99           HD1      TYR  99   0.134   8.179   5.433
  552    HD2  TYR  99           HD2      TYR  99   0.873   8.894   9.630
  553    HE1  TYR  99           HE1      TYR  99  -2.054   9.354   5.629
  554    HE2  TYR  99           HE2      TYR  99  -1.319  10.051   9.818
  555    HH   TYR  99           HH       TYR  99  -3.221  10.719   8.731
  556    HB2  TYR  99           2HB      TYR  99   2.237   7.366   8.446
  557    HB3  TYR  99           3HB      TYR  99   2.764   8.444   7.170
  558    H    SER 100           H        SER 100   2.789   4.580   4.973
  559    HA   SER 100           HA       SER 100   3.892   2.808   6.366
  560    HG   SER 100           HG       SER 100   6.634   2.451   4.327
  561    HB2  SER 100           2HB      SER 100   3.825   2.444   4.071
  562    HB3  SER 100           3HB      SER 100   5.053   3.657   3.856
  563    H    LYS 101           H        LYS 101   5.574   2.026   7.451
  564    HA   LYS 101           HA       LYS 101   7.655   3.664   8.630
  565    HB2  LYS 101           2HB      LYS 101   7.120   0.659   8.653
  566    HB3  LYS 101           3HB      LYS 101   8.354   1.475   9.621
  567    HG2  LYS 101           2HG      LYS 101   6.574   2.866  10.694
  568    HG3  LYS 101           3HG      LYS 101   5.346   1.883   9.883
  569    HD2  LYS 101           2HD      LYS 101   7.530   0.734  11.677
  570    HD3  LYS 101           3HD      LYS 101   5.959   1.218  12.294
  571    HE2  LYS 101           2HE      LYS 101   6.121  -0.737   9.979
  572    HE3  LYS 101           3HE      LYS 101   6.449  -1.296  11.617
  573    HZ1  LYS 101           3HZ      LYS 101   3.919   0.038  10.783
  574    HZ2  LYS 101           1HZ      LYS 101   4.078  -1.528  11.026
  575    HZ3  LYS 101           2HZ      LYS 101   4.261  -0.508  12.290
  576    H    LEU 102           H        LEU 102   8.022   3.974   5.947
  577    HA   LEU 102           HA       LEU 102  10.742   2.927   5.580
  578    HG   LEU 102           HG       LEU 102  11.072   2.900   2.657
  579    HB2  LEU 102           2HB      LEU 102   9.168   1.306   4.423
  580    HB3  LEU 102           3HB      LEU 102   8.636   2.634   3.399
  581   HD11  LEU 102          1HD1      LEU 102  12.172   1.647   4.506
  582   HD12  LEU 102          2HD1      LEU 102  11.336   0.169   4.000
  583   HD13  LEU 102          3HD1      LEU 102  12.540   0.931   2.933
  584   HD21  LEU 102          3HD2      LEU 102  10.960   1.067   1.061
  585   HD22  LEU 102          1HD2      LEU 102   9.789   0.202   2.073
  586   HD23  LEU 102          2HD2      LEU 102   9.338   1.733   1.296
  587    HA   PRO 103           HA       PRO 103  10.635   7.281   4.327
  588    HB2  PRO 103           2HB      PRO 103  13.220   7.950   4.694
  589    HB3  PRO 103           3HB      PRO 103  12.204   7.408   6.067
  590    HG2  PRO 103           2HG      PRO 103  14.122   5.725   4.401
  591    HG3  PRO 103           3HG      PRO 103  14.059   5.882   6.190
  592    HD2  PRO 103           2HD      PRO 103  12.801   3.856   4.829
  593    HD3  PRO 103           3HD      PRO 103  12.138   4.556   6.337
  594    H    ALA 104           H        ALA 104  11.997   4.837   2.381
  595    HA   ALA 104           HA       ALA 104  12.720   6.704   0.158
  596    HB1  ALA 104           1HB      ALA 104  14.174   4.175   1.050
  597    HB2  ALA 104           2HB      ALA 104  14.579   5.167  -0.360
  598    HB3  ALA 104           3HB      ALA 104  14.755   5.843   1.272
  Start of MODEL   10
    1    H    GLU  28           H        GLU  28   1.838  15.289   9.067
    2    HA   GLU  28           HA       GLU  28   3.762  14.297  10.073
    3    HB2  GLU  28           2HB      GLU  28   1.698  14.720  11.431
    4    HB3  GLU  28           3HB      GLU  28   1.175  13.068  11.121
    5    HG2  GLU  28           2HG      GLU  28   2.137  13.324  13.359
    6    HG3  GLU  28           3HG      GLU  28   3.074  12.188  12.401
    7    H    LEU  29           H        LEU  29   4.897  12.417  10.752
    8    HA   LEU  29           HA       LEU  29   5.912  10.416  10.556
    9    HG   LEU  29           HG       LEU  29   3.633   7.322  10.402
   10    HB2  LEU  29           2HB      LEU  29   3.547   9.732  11.236
   11    HB3  LEU  29           3HB      LEU  29   3.246   9.347   9.576
   12   HD11  LEU  29          1HD1      LEU  29   6.560   7.896   9.838
   13   HD12  LEU  29          2HD1      LEU  29   5.709   6.337   9.767
   14   HD13  LEU  29          3HD1      LEU  29   5.331   7.584   8.592
   15   HD21  LEU  29          3HD2      LEU  29   5.852   8.386  12.182
   16   HD22  LEU  29          1HD2      LEU  29   4.181   8.013  12.676
   17   HD23  LEU  29          2HD2      LEU  29   5.252   6.709  12.141
   18    H    SER  30           H        SER  30   3.750  10.430   7.804
   19    HA   SER  30           HA       SER  30   5.670  10.822   5.713
   20    HG   SER  30           HG       SER  30   6.847   8.907   6.816
   21    HB2  SER  30           2HB      SER  30   4.688   7.968   6.113
   22    HB3  SER  30           3HB      SER  30   5.223   8.574   4.548
   23    H    ASN  31           H        ASN  31   2.506  10.320   6.902
   24    HA   ASN  31           HA       ASN  31   0.451  10.612   6.213
   25    HB2  ASN  31           2HB      ASN  31   0.234  12.718   4.589
   26    HB3  ASN  31           3HB      ASN  31   0.514  12.781   6.305
   27   HD21  ASN  31          2HD2      ASN  31   2.228  12.979   3.156
   28   HD22  ASN  31          1HD2      ASN  31   3.492  13.999   3.799
   29    H    THR  32           H        THR  32   2.303   9.464   3.542
   30    HA   THR  32           HA       THR  32  -0.224   8.928   2.078
   31    HB   THR  32           HB       THR  32   0.844   9.654   0.011
   32    HG1  THR  32           1HG      THR  32   2.818  10.426  -0.040
   33   HG21  THR  32          1HG2      THR  32   1.158  11.884   2.027
   34   HG22  THR  32          2HG2      THR  32   0.791  11.996   0.290
   35   HG23  THR  32          3HG2      THR  32  -0.405  11.311   1.403
   36    H    ARG  33           H        ARG  33   1.085   6.708   3.457
   37    HA   ARG  33           HA       ARG  33   2.162   5.217   1.083
   38    HE   ARG  33           HE       ARG  33   6.555   6.843   0.257
   39    HB2  ARG  33           2HB      ARG  33   3.656   5.899   3.602
   40    HB3  ARG  33           3HB      ARG  33   3.996   4.417   2.768
   41    HG2  ARG  33           2HG      ARG  33   4.870   5.209   0.991
   42    HG3  ARG  33           3HG      ARG  33   3.982   6.762   1.040
   43    HD2  ARG  33           2HD      ARG  33   5.462   7.736   2.541
   44    HD3  ARG  33           3HD      ARG  33   6.079   6.176   3.108
   45   HH11  ARG  33          1HH1      ARG  33   8.041   6.321   3.381
   46   HH12  ARG  33          2HH1      ARG  33   9.642   6.381   2.695
   47   HH21  ARG  33          1HH2      ARG  33   8.418   6.653  -0.524
   48   HH22  ARG  33          2HH2      ARG  33   9.836   6.292   0.475
   49    H    LEU  34           H        LEU  34   1.498   3.292   0.871
   50    HA   LEU  34           HA       LEU  34  -0.026   2.079   3.103
   51    HG   LEU  34           HG       LEU  34  -2.436   2.950   0.355
   52    HB2  LEU  34           2HB      LEU  34  -0.368   1.420   0.240
   53    HB3  LEU  34           3HB      LEU  34  -1.498   1.212   1.528
   54   HD11  LEU  34          1HD1      LEU  34  -2.046   3.709   2.777
   55   HD12  LEU  34          2HD1      LEU  34  -0.888   4.857   2.097
   56   HD13  LEU  34          3HD1      LEU  34  -2.557   4.889   1.585
   57   HD21  LEU  34          3HD2      LEU  34   0.200   3.484  -0.609
   58   HD22  LEU  34          1HD2      LEU  34  -1.357   3.875  -1.307
   59   HD23  LEU  34          2HD2      LEU  34  -0.572   4.999  -0.173
   60    H    PHE  35           H        PHE  35   0.517   0.192   4.082
   61    HA   PHE  35           HA       PHE  35   2.809  -1.314   2.962
   62    HD1  PHE  35           HD1      PHE  35   5.285  -1.862   4.176
   63    HD2  PHE  35           HD2      PHE  35   2.295  -2.550   7.171
   64    HE1  PHE  35           HE1      PHE  35   6.734  -3.599   5.219
   65    HE2  PHE  35           HE2      PHE  35   3.747  -4.245   8.246
   66    HZ   PHE  35           HZ       PHE  35   5.971  -4.779   7.265
   67    HB2  PHE  35           2HB      PHE  35   3.602  -0.195   4.733
   68    HB3  PHE  35           3HB      PHE  35   2.399  -0.327   5.812
   69    H    VAL  36           H        VAL  36   2.104  -2.841   2.012
   70    HA   VAL  36           HA       VAL  36  -0.415  -4.275   2.767
   71    HB   VAL  36           HB       VAL  36   0.688  -2.868   0.348
   72   HG11  VAL  36          1HG1      VAL  36  -0.138  -4.710  -0.729
   73   HG12  VAL  36          2HG1      VAL  36  -1.739  -4.513   0.099
   74   HG13  VAL  36          3HG1      VAL  36  -1.083  -3.269  -0.997
   75   HG21  VAL  36          3HG2      VAL  36  -0.726  -1.534   1.965
   76   HG22  VAL  36          1HG2      VAL  36  -1.662  -1.771   0.514
   77   HG23  VAL  36          2HG2      VAL  36  -1.990  -2.794   1.895
   78    H    ARG  37           H        ARG  37   0.260  -6.080   3.484
   79    HA   ARG  37           HA       ARG  37   2.389  -7.670   2.116
   80    HE   ARG  37           HE       ARG  37   2.031  -5.482   8.193
   81    HB2  ARG  37           2HB      ARG  37   3.396  -7.937   4.357
   82    HB3  ARG  37           3HB      ARG  37   3.351  -6.276   3.821
   83    HG2  ARG  37           2HG      ARG  37   1.752  -5.591   5.335
   84    HG3  ARG  37           3HG      ARG  37   1.008  -7.171   5.477
   85    HD2  ARG  37           2HD      ARG  37   2.929  -7.963   6.842
   86    HD3  ARG  37           3HD      ARG  37   3.652  -6.360   6.720
   87   HH11  ARG  37          1HH2      ARG  37   1.117  -8.807   7.523
   88   HH12  ARG  37          2HH2      ARG  37  -0.227  -8.731   8.623
   89   HH21  ARG  37          1HH1      ARG  37   0.418  -5.447   9.540
   90   HH22  ARG  37          2HH1      ARG  37  -0.638  -6.842   9.759
   91    HA   PRO  38           HA       PRO  38  -0.657 -10.748   4.470
   92    HB2  PRO  38           2HB      PRO  38  -2.603 -10.260   2.186
   93    HB3  PRO  38           3HB      PRO  38  -2.937 -10.918   3.807
   94    HG2  PRO  38           2HG      PRO  38  -3.475  -8.385   3.281
   95    HG3  PRO  38           3HG      PRO  38  -2.616  -8.753   4.811
   96    HD2  PRO  38           2HD      PRO  38  -1.433  -7.718   2.239
   97    HD3  PRO  38           3HD      PRO  38  -1.090  -7.257   3.938
   98    H    PHE  39           H        PHE  39  -0.323 -10.111   1.060
   99    HA   PHE  39           HA       PHE  39  -0.770 -12.706   0.053
  100    HD1  PHE  39           HD2      PHE  39   0.931  -8.715  -0.237
  101    HD2  PHE  39           HD1      PHE  39  -2.754 -10.445  -1.738
  102    HE1  PHE  39           HE2      PHE  39  -0.225  -6.607   0.076
  103    HE2  PHE  39           HE1      PHE  39  -3.831  -8.216  -1.600
  104    HZ   PHE  39           HZ       PHE  39  -2.604  -6.306  -0.676
  105    HB2  PHE  39           2HB      PHE  39   0.868 -10.863  -1.578
  106    HB3  PHE  39           3HB      PHE  39  -0.643 -11.658  -1.972
  107    HA   PRO  40           HA       PRO  40   3.483 -14.127  -0.281
  108    HB2  PRO  40           2HB      PRO  40   3.307 -16.006  -2.309
  109    HB3  PRO  40           3HB      PRO  40   2.525 -16.269  -0.732
  110    HG2  PRO  40           2HG      PRO  40   1.266 -15.140  -3.254
  111    HG3  PRO  40           3HG      PRO  40   0.659 -16.479  -2.225
  112    HD2  PRO  40           2HD      PRO  40  -0.214 -13.899  -1.975
  113    HD3  PRO  40           3HD      PRO  40  -0.055 -14.985  -0.557
  114    H    LEU  41           H        LEU  41   5.049 -14.619  -2.340
  115    HA   LEU  41           HA       LEU  41   5.874 -12.200  -3.442
  116    HG   LEU  41           HG       LEU  41   8.198 -13.188  -2.948
  117    HB2  LEU  41           2HB      LEU  41   6.282 -15.069  -4.394
  118    HB3  LEU  41           3HB      LEU  41   7.105 -13.687  -5.094
  119   HD11  LEU  41          1HD1      LEU  41   6.956 -15.810  -2.007
  120   HD12  LEU  41          2HD1      LEU  41   8.321 -14.992  -1.213
  121   HD13  LEU  41          3HD1      LEU  41   6.760 -14.195  -1.262
  122   HD21  LEU  41          3HD2      LEU  41   9.290 -14.550  -4.681
  123   HD22  LEU  41          1HD2      LEU  41   9.786 -15.063  -3.068
  124   HD23  LEU  41          2HD2      LEU  41   8.597 -16.025  -3.976
  125    H    ASP  42           H        ASP  42   3.319 -14.223  -4.637
  126    HA   ASP  42           HA       ASP  42   3.205 -13.449  -7.362
  127    HB2  ASP  42           2HB      ASP  42   0.982 -14.318  -5.491
  128    HB3  ASP  42           3HB      ASP  42   0.892 -14.292  -7.241
  129    H    VAL  43           H        VAL  43   2.298 -11.492  -4.554
  130    HA   VAL  43           HA       VAL  43   0.441  -9.809  -6.019
  131    HB   VAL  43           HB       VAL  43   0.486  -9.850  -3.563
  132   HG11  VAL  43          1HG1      VAL  43   2.145  -8.708  -2.269
  133   HG12  VAL  43          2HG1      VAL  43   2.995  -9.843  -3.335
  134   HG13  VAL  43          3HG1      VAL  43   2.964  -8.113  -3.736
  135   HG21  VAL  43          3HG2      VAL  43  -0.665  -7.953  -4.428
  136   HG22  VAL  43          1HG2      VAL  43   0.337  -7.367  -3.127
  137   HG23  VAL  43          2HG2      VAL  43   0.831  -7.073  -4.795
  138    H    GLN  44           H        GLN  44   0.690  -7.923  -7.019
  139    HA   GLN  44           HA       GLN  44   3.328  -6.910  -7.842
  140    HB2  GLN  44           2HB      GLN  44   1.264  -8.333  -9.606
  141    HB3  GLN  44           3HB      GLN  44   2.481  -7.272 -10.297
  142    HG2  GLN  44           2HG      GLN  44   4.262  -8.730  -9.793
  143    HG3  GLN  44           3HG      GLN  44   3.312  -9.672  -8.650
  144   HE21  GLN  44          2HE2      GLN  44   1.828 -11.235  -9.349
  145   HE22  GLN  44          1HE2      GLN  44   1.778 -11.757 -11.034
  146    H    GLU  45           H        GLU  45   2.989  -5.116  -9.473
  147    HA   GLU  45           HA       GLU  45   1.225  -3.127  -8.539
  148    HB2  GLU  45           2HB      GLU  45   3.291  -2.974 -10.152
  149    HB3  GLU  45           3HB      GLU  45   2.134  -3.337 -11.431
  150    HG2  GLU  45           2HG      GLU  45   0.876  -1.260 -10.043
  151    HG3  GLU  45           3HG      GLU  45   2.568  -0.859  -9.839
  152    H    SER  46           H        SER  46   0.496  -5.771 -10.849
  153    HA   SER  46           HA       SER  46  -2.000  -4.704 -11.794
  154    HG   SER  46           HG       SER  46  -0.657  -8.533 -12.077
  155    HB2  SER  46           2HB      SER  46  -2.442  -7.104 -12.392
  156    HB3  SER  46           3HB      SER  46  -0.919  -6.451 -13.013
  157    H    GLU  47           H        GLU  47  -1.140  -6.449  -8.805
  158    HA   GLU  47           HA       GLU  47  -3.792  -7.444  -8.130
  159    HB2  GLU  47           2HB      GLU  47  -1.078  -8.013  -7.658
  160    HB3  GLU  47           3HB      GLU  47  -1.500  -7.130  -6.217
  161    HG2  GLU  47           2HG      GLU  47  -2.541  -9.753  -7.256
  162    HG3  GLU  47           3HG      GLU  47  -1.619  -9.405  -5.841
  163    H    LEU  48           H        LEU  48  -1.413  -5.044  -7.180
  164    HA   LEU  48           HA       LEU  48  -2.943  -3.517  -5.306
  165    HG   LEU  48           HG       LEU  48  -0.400  -4.898  -5.309
  166    HB2  LEU  48           2HB      LEU  48  -0.538  -2.830  -7.038
  167    HB3  LEU  48           3HB      LEU  48  -1.062  -1.943  -5.693
  168   HD11  LEU  48          1HD1      LEU  48   1.507  -3.722  -6.465
  169   HD12  LEU  48          2HD1      LEU  48   1.662  -2.736  -4.996
  170   HD13  LEU  48          3HD1      LEU  48   1.837  -4.499  -4.915
  171   HD21  LEU  48          3HD2      LEU  48   0.324  -4.086  -3.157
  172   HD22  LEU  48          1HD2      LEU  48  -0.152  -2.411  -3.622
  173   HD23  LEU  48          2HD2      LEU  48  -1.382  -3.724  -3.464
  174    H    ASN  49           H        ASN  49  -2.460  -3.306  -8.863
  175    HA   ASN  49           HA       ASN  49  -4.056  -0.916  -9.182
  176    HB2  ASN  49           2HB      ASN  49  -3.157  -3.040 -11.072
  177    HB3  ASN  49           3HB      ASN  49  -4.623  -2.205 -11.521
  178   HD21  ASN  49          2HD2      ASN  49  -1.295  -1.566 -10.504
  179   HD22  ASN  49          1HD2      ASN  49  -1.054  -0.211 -11.588
  180    H    GLU  50           H        GLU  50  -5.126  -4.355  -9.081
  181    HA   GLU  50           HA       GLU  50  -7.922  -3.795  -9.423
  182    HB2  GLU  50           2HB      GLU  50  -6.286  -5.993  -8.218
  183    HB3  GLU  50           3HB      GLU  50  -8.002  -5.958  -7.842
  184    HG2  GLU  50           2HG      GLU  50  -6.833  -5.888 -10.673
  185    HG3  GLU  50           3HG      GLU  50  -7.262  -7.372  -9.843
  186    H    ILE  51           H        ILE  51  -5.927  -3.812  -6.438
  187    HA   ILE  51           HA       ILE  51  -8.242  -3.273  -4.726
  188    HB   ILE  51           HB       ILE  51  -5.270  -3.356  -4.358
  189   HG12  ILE  51          2HG1      ILE  51  -7.417  -5.244  -3.302
  190   HG13  ILE  51          3HG1      ILE  51  -6.507  -5.510  -4.786
  191   HG21  ILE  51          1HG2      ILE  51  -6.134  -1.783  -2.625
  192   HG22  ILE  51          2HG2      ILE  51  -7.376  -2.975  -2.182
  193   HG23  ILE  51          3HG2      ILE  51  -5.650  -3.283  -1.876
  194   HD11  ILE  51          3HD1      ILE  51  -4.370  -5.452  -3.434
  195   HD12  ILE  51          1HD1      ILE  51  -5.377  -5.472  -1.961
  196   HD13  ILE  51          2HD1      ILE  51  -5.455  -6.814  -3.101
  197    H    PHE  52           H        PHE  52  -5.597  -1.246  -5.964
  198    HA   PHE  52           HA       PHE  52  -6.355   1.087  -4.359
  199    HD1  PHE  52           HD2      PHE  52  -4.040  -1.614  -4.368
  200    HD2  PHE  52           HD1      PHE  52  -3.479   2.478  -3.158
  201    HE1  PHE  52           HE2      PHE  52  -2.688  -2.381  -2.462
  202    HE2  PHE  52           HE1      PHE  52  -2.002   1.700  -1.350
  203    HZ   PHE  52           HZ       PHE  52  -1.427  -0.705  -1.157
  204    HB2  PHE  52           2HB      PHE  52  -4.000   0.465  -6.043
  205    HB3  PHE  52           3HB      PHE  52  -4.265   2.023  -5.302
  206    H    GLY  53           H        GLY  53  -6.403   0.024  -7.725
  207    HA2  GLY  53           2HA      GLY  53  -6.551   2.377  -9.205
  208    HA3  GLY  53           3HA      GLY  53  -7.431   0.889  -9.563
  209    HA   PRO  54           HA       PRO  54 -11.271   2.794  -8.055
  210    HB2  PRO  54           2HB      PRO  54 -11.182   1.957  -5.170
  211    HB3  PRO  54           3HB      PRO  54 -12.491   1.734  -6.372
  212    HG2  PRO  54           2HG      PRO  54 -10.932  -0.357  -5.630
  213    HG3  PRO  54           3HG      PRO  54 -11.348  -0.129  -7.366
  214    HD2  PRO  54           2HD      PRO  54  -8.887   0.830  -5.889
  215    HD3  PRO  54           3HD      PRO  54  -8.915  -0.199  -7.341
  216    H    PHE  55           H        PHE  55  -8.480   3.469  -5.966
  217    HA   PHE  55           HA       PHE  55  -9.750   5.612  -4.484
  218    HD1  PHE  55           HD1      PHE  55  -9.814   3.588  -3.388
  219    HD2  PHE  55           HD2      PHE  55  -5.503   3.803  -3.250
  220    HE1  PHE  55           HE1      PHE  55  -9.762   1.437  -2.183
  221    HE2  PHE  55           HE2      PHE  55  -5.499   1.760  -1.758
  222    HZ   PHE  55           HZ       PHE  55  -7.631   0.554  -1.329
  223    HB2  PHE  55           2HB      PHE  55  -6.765   5.123  -4.767
  224    HB3  PHE  55           3HB      PHE  55  -7.601   5.962  -3.485
  225    H    GLY  56           H        GLY  56  -7.211   5.516  -7.035
  226    HA2  GLY  56           2HA      GLY  56  -7.727   7.860  -8.397
  227    HA3  GLY  56           3HA      GLY  56  -6.989   8.403  -6.906
  228    HA   PRO  57           HA       PRO  57  -3.545   8.189  -9.611
  229    HB2  PRO  57           2HB      PRO  57  -1.589   9.357  -8.122
  230    HB3  PRO  57           3HB      PRO  57  -3.029  10.236  -8.714
  231    HG2  PRO  57           2HG      PRO  57  -2.547   9.087  -5.961
  232    HG3  PRO  57           3HG      PRO  57  -3.256  10.666  -6.408
  233    HD2  PRO  57           2HD      PRO  57  -4.706   8.376  -5.757
  234    HD3  PRO  57           3HD      PRO  57  -5.356   9.715  -6.727
  235    H    MET  58           H        MET  58  -2.992   6.628  -6.510
  236    HA   MET  58           HA       MET  58  -1.124   5.322  -5.740
  237    HB2  MET  58           2HB      MET  58  -1.042   3.185  -6.814
  238    HB3  MET  58           3HB      MET  58  -2.624   3.658  -6.179
  239    HG2  MET  58           2HG      MET  58  -3.388   4.254  -8.443
  240    HG3  MET  58           3HG      MET  58  -1.833   3.726  -9.105
  241    HE1  MET  58           3HE      MET  58  -1.017   1.123  -8.053
  242    HE2  MET  58           1HE      MET  58  -2.033   1.173  -6.586
  243    HE3  MET  58           2HE      MET  58  -2.230  -0.147  -7.764
  244    H    LYS  59           H        LYS  59   0.136   7.141  -6.333
  245    HA   LYS  59           HA       LYS  59   1.521   7.441  -8.713
  246    HB2  LYS  59           2HB      LYS  59   0.838   9.154  -7.092
  247    HB3  LYS  59           3HB      LYS  59   1.927   8.509  -5.891
  248    HG2  LYS  59           2HG      LYS  59   2.924   9.638  -8.499
  249    HG3  LYS  59           3HG      LYS  59   2.452  10.599  -7.138
  250    HD2  LYS  59           2HD      LYS  59   4.851   8.850  -7.356
  251    HD3  LYS  59           3HD      LYS  59   4.586  10.540  -6.898
  252    HE2  LYS  59           2HE      LYS  59   3.783  10.028  -4.757
  253    HE3  LYS  59           3HE      LYS  59   3.952   8.273  -5.061
  254    HZ1  LYS  59           3HZ      LYS  59   6.367   8.653  -5.413
  255    HZ2  LYS  59           1HZ      LYS  59   6.190  10.242  -5.080
  256    HZ3  LYS  59           2HZ      LYS  59   5.947   9.117  -3.917
  257    H    GLU  60           H        GLU  60   2.480   5.638  -5.840
  258    HA   GLU  60           HA       GLU  60   4.537   4.370  -7.469
  259    HB2  GLU  60           2HB      GLU  60   5.312   6.287  -5.417
  260    HB3  GLU  60           3HB      GLU  60   5.808   4.670  -4.909
  261    HG2  GLU  60           2HG      GLU  60   7.123   4.352  -6.896
  262    HG3  GLU  60           3HG      GLU  60   6.440   5.784  -7.672
  263    H    VAL  61           H        VAL  61   5.249   2.431  -6.845
  264    HA   VAL  61           HA       VAL  61   3.534   0.911  -4.989
  265    HB   VAL  61           HB       VAL  61   3.610   0.212  -7.986
  266   HG11  VAL  61          1HG1      VAL  61   1.751  -1.200  -7.477
  267   HG12  VAL  61          2HG1      VAL  61   2.966  -1.434  -6.206
  268   HG13  VAL  61          3HG1      VAL  61   1.518  -0.452  -5.896
  269   HG21  VAL  61          3HG2      VAL  61   2.501   2.347  -8.111
  270   HG22  VAL  61          1HG2      VAL  61   1.359   1.038  -8.383
  271   HG23  VAL  61          2HG2      VAL  61   1.370   1.884  -6.826
  272    H    LYS  62           H        LYS  62   5.530   0.696  -3.993
  273    HA   LYS  62           HA       LYS  62   7.713  -0.583  -5.489
  274    HB2  LYS  62           2HB      LYS  62   7.553   0.042  -2.525
  275    HB3  LYS  62           3HB      LYS  62   8.986  -0.280  -3.503
  276    HG2  LYS  62           2HG      LYS  62   8.064   1.800  -4.948
  277    HG3  LYS  62           3HG      LYS  62   7.156   2.149  -3.467
  278    HD2  LYS  62           2HD      LYS  62  10.159   2.071  -3.859
  279    HD3  LYS  62           3HD      LYS  62   9.141   3.470  -3.470
  280    HE2  LYS  62           2HE      LYS  62   8.564   2.396  -1.278
  281    HE3  LYS  62           3HE      LYS  62   9.639   1.045  -1.698
  282    HZ1  LYS  62           3HZ      LYS  62  10.825   2.723  -0.327
  283    HZ2  LYS  62           1HZ      LYS  62  11.471   2.690  -1.821
  284    HZ3  LYS  62           2HZ      LYS  62  10.461   3.895  -1.384
  285    H    ILE  63           H        ILE  63   7.999  -2.620  -5.639
  286    HA   ILE  63           HA       ILE  63   6.309  -4.561  -4.093
  287    HB   ILE  63           HB       ILE  63   7.436  -5.066  -6.841
  288   HG12  ILE  63          2HG1      ILE  63   6.020  -3.132  -7.188
  289   HG13  ILE  63          3HG1      ILE  63   5.436  -4.571  -7.979
  290   HG21  ILE  63          1HG2      ILE  63   6.771  -7.079  -5.673
  291   HG22  ILE  63          2HG2      ILE  63   5.195  -6.385  -5.268
  292   HG23  ILE  63          3HG2      ILE  63   5.600  -6.768  -6.949
  293   HD11  ILE  63          3HD1      ILE  63   4.243  -3.384  -5.429
  294   HD12  ILE  63          1HD1      ILE  63   3.578  -3.344  -7.082
  295   HD13  ILE  63          2HD1      ILE  63   3.697  -4.876  -6.236
  296    H    LEU  64           H        LEU  64   7.247  -5.986  -2.904
  297    HA   LEU  64           HA       LEU  64   9.953  -7.091  -3.466
  298    HG   LEU  64           HG       LEU  64  11.082  -4.907  -2.271
  299    HB2  LEU  64           2HB      LEU  64   8.818  -6.252  -0.782
  300    HB3  LEU  64           3HB      LEU  64  10.387  -6.962  -1.070
  301   HD11  LEU  64          1HD1      LEU  64   9.538  -3.451  -2.986
  302   HD12  LEU  64          2HD1      LEU  64   8.320  -3.970  -1.804
  303   HD13  LEU  64          3HD1      LEU  64   9.598  -2.819  -1.357
  304   HD21  LEU  64          3HD2      LEU  64  10.106  -4.690   0.541
  305   HD22  LEU  64          1HD2      LEU  64  11.665  -5.327  -0.007
  306   HD23  LEU  64          2HD2      LEU  64  11.306  -3.600  -0.207
  307    H    ASN  65           H        ASN  65  10.166  -8.888  -1.656
  308    HA   ASN  65           HA       ASN  65   9.087 -11.187  -2.598
  309    HB2  ASN  65           2HB      ASN  65  10.086 -10.895   0.219
  310    HB3  ASN  65           3HB      ASN  65  10.361 -12.252  -0.865
  311   HD21  ASN  65          2HD2      ASN  65  11.624  -9.303   0.329
  312   HD22  ASN  65          1HD2      ASN  65  12.929  -9.118  -0.809
  313    H    GLY  66           H        GLY  66   6.635  -9.969  -2.022
  314    HA2  GLY  66           2HA      GLY  66   4.627 -11.109  -1.190
  315    HA3  GLY  66           3HA      GLY  66   5.450 -11.415   0.332
  316    H    PHE  67           H        PHE  67   6.302  -8.356  -0.991
  317    HA   PHE  67           HA       PHE  67   4.387  -6.964   0.845
  318    HD1  PHE  67           HD1      PHE  67   8.425  -8.432   0.833
  319    HD2  PHE  67           HD2      PHE  67   5.540  -7.053   3.730
  320    HE1  PHE  67           HE1      PHE  67   9.066 -10.281   2.376
  321    HE2  PHE  67           HE2      PHE  67   6.205  -8.884   5.275
  322    HZ   PHE  67           HZ       PHE  67   7.961 -10.509   4.586
  323    HB2  PHE  67           2HB      PHE  67   7.293  -6.241   0.621
  324    HB3  PHE  67           3HB      PHE  67   6.123  -5.689   1.785
  325    H    ALA  68           H        ALA  68   3.770  -5.000   0.339
  326    HA   ALA  68           HA       ALA  68   4.694  -3.597  -2.167
  327    HB1  ALA  68           1HB      ALA  68   2.416  -3.084  -2.648
  328    HB2  ALA  68           2HB      ALA  68   2.683  -4.845  -2.658
  329    HB3  ALA  68           3HB      ALA  68   1.873  -4.075  -1.278
  330    H    PHE  69           H        PHE  69   5.108  -1.577  -1.847
  331    HA   PHE  69           HA       PHE  69   3.990  -0.169   0.482
  332    HD1  PHE  69           HD2      PHE  69   7.073  -2.134  -0.789
  333    HD2  PHE  69           HD1      PHE  69   6.681  -0.075   2.976
  334    HE1  PHE  69           HE2      PHE  69   8.062  -4.065   0.354
  335    HE2  PHE  69           HE1      PHE  69   7.983  -1.916   4.072
  336    HZ   PHE  69           HZ       PHE  69   8.682  -3.940   2.691
  337    HB2  PHE  69           2HB      PHE  69   6.772   0.472  -0.526
  338    HB3  PHE  69           3HB      PHE  69   6.005   1.012   0.943
  339    H    VAL  70           H        VAL  70   2.390   0.503  -0.692
  340    HA   VAL  70           HA       VAL  70   2.823   1.925  -3.229
  341    HB   VAL  70           HB       VAL  70   0.173   1.664  -1.817
  342   HG11  VAL  70          1HG1      VAL  70   0.261   3.022  -3.969
  343   HG12  VAL  70          2HG1      VAL  70   0.950   1.536  -4.736
  344   HG13  VAL  70          3HG1      VAL  70  -0.689   1.505  -4.100
  345   HG21  VAL  70          3HG2      VAL  70   0.978  -0.605  -1.998
  346   HG22  VAL  70          1HG2      VAL  70  -0.127  -0.313  -3.362
  347   HG23  VAL  70          2HG2      VAL  70   1.638  -0.228  -3.650
  348    H    GLU  71           H        GLU  71   2.069   4.113  -3.506
  349    HA   GLU  71           HA       GLU  71   2.399   5.881  -1.115
  350    HB2  GLU  71           2HB      GLU  71   4.642   5.015  -2.028
  351    HB3  GLU  71           3HB      GLU  71   4.234   5.788  -3.541
  352    HG2  GLU  71           2HG      GLU  71   4.176   7.983  -2.611
  353    HG3  GLU  71           3HG      GLU  71   4.278   7.376  -0.971
  354    H    PHE  72           H        PHE  72   1.699   7.922  -1.488
  355    HA   PHE  72           HA       PHE  72   0.838   8.693  -4.251
  356    HD1  PHE  72           HD2      PHE  72  -1.539   7.490  -4.755
  357    HD2  PHE  72           HD1      PHE  72  -1.549   7.761  -0.461
  358    HE1  PHE  72           HE2      PHE  72  -3.047   5.488  -4.609
  359    HE2  PHE  72           HE1      PHE  72  -3.077   5.803  -0.360
  360    HZ   PHE  72           HZ       PHE  72  -3.774   4.657  -2.397
  361    HB2  PHE  72           2HB      PHE  72  -0.576   9.458  -1.675
  362    HB3  PHE  72           3HB      PHE  72  -1.109   9.731  -3.319
  363    H    GLU  73           H        GLU  73   0.785  10.785  -4.791
  364    HA   GLU  73           HA       GLU  73   2.864  12.502  -3.661
  365    HB2  GLU  73           2HB      GLU  73   2.389  13.956  -5.408
  366    HB3  GLU  73           3HB      GLU  73   2.645  12.325  -5.992
  367    HG2  GLU  73           2HG      GLU  73  -0.166  13.287  -5.444
  368    HG3  GLU  73           3HG      GLU  73   0.700  13.901  -6.835
  369    H    GLU  74           H        GLU  74  -0.469  11.897  -3.082
  370    HA   GLU  74           HA       GLU  74  -0.976  14.505  -1.726
  371    HB2  GLU  74           2HB      GLU  74  -3.269  14.344  -2.678
  372    HB3  GLU  74           3HB      GLU  74  -2.013  14.627  -3.869
  373    HG2  GLU  74           2HG      GLU  74  -2.348  12.647  -4.952
  374    HG3  GLU  74           3HG      GLU  74  -2.669  11.738  -3.486
  375    H    ALA  75           H        ALA  75  -2.352  14.552   0.010
  376    HA   ALA  75           HA       ALA  75  -2.370  12.169   1.645
  377    HB1  ALA  75           1HB      ALA  75  -1.891  14.418   2.525
  378    HB2  ALA  75           2HB      ALA  75  -3.549  14.936   2.124
  379    HB3  ALA  75           3HB      ALA  75  -3.278  13.680   3.345
  380    H    GLU  76           H        GLU  76  -4.860  13.604  -0.418
  381    HA   GLU  76           HA       GLU  76  -7.088  12.530   1.070
  382    HB2  GLU  76           2HB      GLU  76  -7.153  13.231  -1.868
  383    HB3  GLU  76           3HB      GLU  76  -8.488  13.160  -0.731
  384    HG2  GLU  76           2HG      GLU  76  -6.232  15.198  -0.794
  385    HG3  GLU  76           3HG      GLU  76  -7.911  15.469  -1.236
  386    H    SER  77           H        SER  77  -5.264  11.275  -1.787
  387    HA   SER  77           HA       SER  77  -6.720   8.825  -1.906
  388    HG   SER  77           HG       SER  77  -4.550   7.019  -3.090
  389    HB2  SER  77           2HB      SER  77  -5.123   9.653  -3.666
  390    HB3  SER  77           3HB      SER  77  -3.815   9.011  -2.667
  391    H    ALA  78           H        ALA  78  -4.010   9.742   0.204
  392    HA   ALA  78           HA       ALA  78  -3.658   7.052   1.205
  393    HB1  ALA  78           1HB      ALA  78  -2.163   7.992   2.712
  394    HB2  ALA  78           2HB      ALA  78  -2.077   9.042   1.272
  395    HB3  ALA  78           3HB      ALA  78  -2.977   9.589   2.696
  396    H    ALA  79           H        ALA  79  -5.421   9.893   2.551
  397    HA   ALA  79           HA       ALA  79  -6.637   8.646   4.772
  398    HB1  ALA  79           1HB      ALA  79  -6.633  11.066   4.334
  399    HB2  ALA  79           2HB      ALA  79  -7.708  10.835   2.939
  400    HB3  ALA  79           3HB      ALA  79  -8.285  10.465   4.579
  401    H    LYS  80           H        LYS  80  -7.921   8.851   1.366
  402    HA   LYS  80           HA       LYS  80 -10.140   7.200   2.100
  403    HB2  LYS  80           2HB      LYS  80 -10.899   7.355  -0.054
  404    HB3  LYS  80           3HB      LYS  80  -9.908   8.813   0.053
  405    HG2  LYS  80           2HG      LYS  80  -8.096   7.480  -1.160
  406    HG3  LYS  80           3HG      LYS  80  -9.268   6.192  -1.346
  407    HD2  LYS  80           2HD      LYS  80  -9.879   7.275  -3.257
  408    HD3  LYS  80           3HD      LYS  80 -10.763   8.354  -2.213
  409    HE2  LYS  80           2HE      LYS  80  -8.713   9.862  -2.171
  410    HE3  LYS  80           3HE      LYS  80  -7.972   8.796  -3.386
  411    HZ1  LYS  80           3HZ      LYS  80 -10.531  10.232  -3.804
  412    HZ2  LYS  80           1HZ      LYS  80  -9.084  10.687  -4.412
  413    HZ3  LYS  80           2HZ      LYS  80  -9.746   9.272  -4.887
  414    H    ALA  81           H        ALA  81  -6.996   6.340   0.679
  415    HA   ALA  81           HA       ALA  81  -7.539   3.625   0.211
  416    HB1  ALA  81           1HB      ALA  81  -5.131   3.237   0.453
  417    HB2  ALA  81           2HB      ALA  81  -5.481   4.658  -0.517
  418    HB3  ALA  81           3HB      ALA  81  -4.930   4.858   1.153
  419    H    ILE  82           H        ILE  82  -6.382   5.230   3.264
  420    HA   ILE  82           HA       ILE  82  -6.365   2.997   4.955
  421    HB   ILE  82           HB       ILE  82  -7.081   5.867   5.575
  422   HG12  ILE  82          2HG1      ILE  82  -4.574   4.660   6.659
  423   HG13  ILE  82          3HG1      ILE  82  -4.561   4.909   4.930
  424   HG21  ILE  82          1HG2      ILE  82  -6.636   5.363   7.965
  425   HG22  ILE  82          2HG2      ILE  82  -8.061   4.528   7.370
  426   HG23  ILE  82          3HG2      ILE  82  -6.534   3.639   7.574
  427   HD11  ILE  82          3HD1      ILE  82  -3.691   6.877   6.068
  428   HD12  ILE  82          1HD1      ILE  82  -5.257   7.267   5.312
  429   HD13  ILE  82          2HD1      ILE  82  -5.175   7.008   7.049
  430    H    GLU  83           H        GLU  83  -9.104   5.299   4.485
  431    HA   GLU  83           HA       GLU  83 -10.923   3.722   6.032
  432    HB2  GLU  83           2HB      GLU  83 -11.403   5.861   3.948
  433    HB3  GLU  83           3HB      GLU  83 -12.666   5.178   4.980
  434    HG2  GLU  83           2HG      GLU  83 -10.161   6.607   6.006
  435    HG3  GLU  83           3HG      GLU  83 -11.747   7.332   5.818
  436    H    GLU  84           H        GLU  84  -9.960   3.316   2.701
  437    HA   GLU  84           HA       GLU  84 -12.272   1.705   1.859
  438    HB2  GLU  84           2HB      GLU  84  -9.562   2.361   0.637
  439    HB3  GLU  84           3HB      GLU  84 -10.651   1.212  -0.099
  440    HG2  GLU  84           2HG      GLU  84 -11.599   4.011   0.470
  441    HG3  GLU  84           3HG      GLU  84 -10.608   3.674  -0.936
  442    H    VAL  85           H        VAL  85  -8.924   1.048   2.949
  443    HA   VAL  85           HA       VAL  85  -9.536  -1.871   3.015
  444    HB   VAL  85           HB       VAL  85  -8.918  -1.320   0.763
  445   HG11  VAL  85          1HG1      VAL  85  -6.383  -0.189   1.927
  446   HG12  VAL  85          2HG1      VAL  85  -6.512  -0.704   0.236
  447   HG13  VAL  85          3HG1      VAL  85  -7.558   0.578   0.858
  448   HG21  VAL  85          3HG2      VAL  85  -7.288  -2.990   0.332
  449   HG22  VAL  85          1HG2      VAL  85  -6.648  -2.869   1.975
  450   HG23  VAL  85          2HG2      VAL  85  -8.277  -3.534   1.693
  451    H    HIS  86           H        HIS  86  -7.839   0.652   4.665
  452    HA   HIS  86           HA       HIS  86  -5.842  -1.030   5.920
  453    HD1  HIS  86           HD1      HIS  86  -3.657   1.547   7.303
  454    HD2  HIS  86           HD2      HIS  86  -6.671  -0.312   9.559
  455    HE1  HIS  86           HE1      HIS  86  -2.570   0.854   9.520
  456    HB2  HIS  86           2HB      HIS  86  -5.928   1.456   6.110
  457    HB3  HIS  86           3HB      HIS  86  -7.297   1.307   7.202
  458    H    GLY  87           H        GLY  87  -6.375  -2.959   6.836
  459    HA2  GLY  87           2HA      GLY  87  -6.779  -3.945   8.991
  460    HA3  GLY  87           3HA      GLY  87  -8.121  -2.835   9.262
  461    H    LYS  88           H        LYS  88  -8.274  -3.787   6.107
  462    HA   LYS  88           HA       LYS  88 -10.493  -5.707   6.444
  463    HB2  LYS  88           2HB      LYS  88  -9.152  -4.180   4.169
  464    HB3  LYS  88           3HB      LYS  88 -10.271  -5.419   3.869
  465    HG2  LYS  88           2HG      LYS  88 -11.396  -3.296   3.717
  466    HG3  LYS  88           3HG      LYS  88 -12.070  -4.170   5.096
  467    HD2  LYS  88           2HD      LYS  88 -11.041  -2.736   6.677
  468    HD3  LYS  88           3HD      LYS  88  -9.824  -2.195   5.522
  469    HE2  LYS  88           2HE      LYS  88 -11.638  -1.090   4.199
  470    HE3  LYS  88           3HE      LYS  88 -12.756  -1.441   5.523
  471    HZ1  LYS  88           3HZ      LYS  88 -11.798   0.795   5.700
  472    HZ2  LYS  88           1HZ      LYS  88 -11.318  -0.107   6.981
  473    HZ3  LYS  88           2HZ      LYS  88 -10.278   0.205   5.775
  474    H    SER  89           H        SER  89 -10.284  -7.801   5.854
  475    HA   SER  89           HA       SER  89  -7.578  -8.922   5.937
  476    HG   SER  89           HG       SER  89 -10.786 -10.505   5.187
  477    HB2  SER  89           2HB      SER  89  -8.795 -11.098   6.159
  478    HB3  SER  89           3HB      SER  89  -9.109  -9.896   7.418
  479    H    PHE  90           H        PHE  90  -6.489  -8.693   3.939
  480    HA   PHE  90           HA       PHE  90  -7.838  -9.939   1.576
  481    HD1  PHE  90           HD1      PHE  90  -4.777 -10.519  -0.207
  482    HD2  PHE  90           HD2      PHE  90  -7.802  -7.453  -0.472
  483    HE1  PHE  90           HE1      PHE  90  -5.169 -11.102  -2.589
  484    HE2  PHE  90           HE2      PHE  90  -8.137  -7.991  -2.872
  485    HZ   PHE  90           HZ       PHE  90  -6.866  -9.857  -3.905
  486    HB2  PHE  90           2HB      PHE  90  -6.695  -7.763   1.466
  487    HB3  PHE  90           3HB      PHE  90  -5.159  -8.531   1.696
  488    H    ALA  91           H        ALA  91  -7.117 -11.773   0.607
  489    HA   ALA  91           HA       ALA  91  -6.512 -13.909   0.453
  490    HB1  ALA  91           1HB      ALA  91  -3.840 -12.867   1.453
  491    HB2  ALA  91           2HB      ALA  91  -4.119 -14.418   0.638
  492    HB3  ALA  91           3HB      ALA  91  -4.423 -12.902  -0.220
  493    H    ASN  92           H        ASN  92  -4.949 -13.056   3.572
  494    HA   ASN  92           HA       ASN  92  -6.650 -14.909   5.054
  495    HB2  ASN  92           2HB      ASN  92  -4.820 -16.290   5.937
  496    HB3  ASN  92           3HB      ASN  92  -4.947 -16.452   4.197
  497   HD21  ASN  92          1HD2      ASN  92  -3.029 -14.803   6.770
  498   HD22  ASN  92          2HD2      ASN  92  -1.559 -14.814   5.814
  499    H    GLN  93           H        GLN  93  -5.105 -11.938   4.990
  500    HA   GLN  93           HA       GLN  93  -5.396 -11.481   7.856
  501    HB2  GLN  93           2HB      GLN  93  -3.041 -10.965   8.317
  502    HB3  GLN  93           3HB      GLN  93  -3.268 -12.653   7.922
  503    HG2  GLN  93           2HG      GLN  93  -2.467 -12.153   5.590
  504    HG3  GLN  93           3HG      GLN  93  -2.129 -10.496   6.132
  505   HE21  GLN  93          2HE2      GLN  93  -0.334 -12.878   5.169
  506   HE22  GLN  93          1HE2      GLN  93   0.873 -12.927   6.444
  507    HA   PRO  94           HA       PRO  94  -6.012  -7.558   6.302
  508    HB2  PRO  94           2HB      PRO  94  -5.608  -5.809   8.418
  509    HB3  PRO  94           3HB      PRO  94  -6.931  -7.017   8.392
  510    HG2  PRO  94           2HG      PRO  94  -4.162  -7.318   9.623
  511    HG3  PRO  94           3HG      PRO  94  -5.751  -7.616  10.406
  512    HD2  PRO  94           2HD      PRO  94  -4.302  -9.612   9.351
  513    HD3  PRO  94           3HD      PRO  94  -6.078  -9.572   9.104
  514    H    LEU  95           H        LEU  95  -5.460  -5.693   5.479
  515    HA   LEU  95           HA       LEU  95  -2.691  -5.074   4.840
  516    HG   LEU  95           HG       LEU  95  -4.783  -4.044   1.946
  517    HB2  LEU  95           2HB      LEU  95  -5.369  -3.680   4.433
  518    HB3  LEU  95           3HB      LEU  95  -3.873  -3.082   3.809
  519   HD11  LEU  95          1HD1      LEU  95  -2.574  -4.986   2.162
  520   HD12  LEU  95          2HD1      LEU  95  -3.250  -6.311   3.105
  521   HD13  LEU  95          3HD1      LEU  95  -3.694  -6.144   1.404
  522   HD21  LEU  95          3HD2      LEU  95  -6.708  -4.980   3.180
  523   HD22  LEU  95          1HD2      LEU  95  -6.143  -5.750   1.703
  524   HD23  LEU  95          2HD2      LEU  95  -5.748  -6.488   3.289
  525    H    GLU  96           H        GLU  96  -1.636  -3.073   5.247
  526    HA   GLU  96           HA       GLU  96  -2.413  -1.560   7.685
  527    HB2  GLU  96           2HB      GLU  96  -0.961  -3.447   8.178
  528    HB3  GLU  96           3HB      GLU  96   0.232  -2.882   7.035
  529    HG2  GLU  96           2HG      GLU  96   0.618  -0.870   8.411
  530    HG3  GLU  96           3HG      GLU  96  -0.662  -1.373   9.521
  531    H    VAL  97           H        VAL  97  -3.187  -0.636   5.565
  532    HA   VAL  97           HA       VAL  97  -1.545   0.850   3.721
  533    HB   VAL  97           HB       VAL  97  -4.451   0.748   4.570
  534   HG11  VAL  97          1HG1      VAL  97  -3.553   2.061   2.002
  535   HG12  VAL  97          2HG1      VAL  97  -5.195   1.714   2.486
  536   HG13  VAL  97          3HG1      VAL  97  -4.256   2.891   3.414
  537   HG21  VAL  97          3HG2      VAL  97  -3.644  -0.261   1.847
  538   HG22  VAL  97          1HG2      VAL  97  -2.993  -1.162   3.204
  539   HG23  VAL  97          2HG2      VAL  97  -4.738  -0.974   3.058
  540    H    VAL  98           H        VAL  98  -0.401   2.834   4.646
  541    HA   VAL  98           HA       VAL  98  -2.053   4.554   6.343
  542    HB   VAL  98           HB       VAL  98  -1.324   2.281   7.434
  543   HG11  VAL  98          1HG1      VAL  98   1.197   3.476   8.410
  544   HG12  VAL  98          2HG1      VAL  98   0.506   1.879   8.579
  545   HG13  VAL  98          3HG1      VAL  98   1.114   2.352   7.008
  546   HG21  VAL  98          3HG2      VAL  98  -1.430   4.859   8.848
  547   HG22  VAL  98          1HG2      VAL  98  -2.735   3.758   8.269
  548   HG23  VAL  98          2HG2      VAL  98  -1.617   3.217   9.546
  549    H    TYR  99           H        TYR  99   0.886   4.822   7.582
  550    HA   TYR  99           HA       TYR  99   1.936   6.931   5.746
  551    HD1  TYR  99           HD2      TYR  99   0.021   8.111   6.095
  552    HD2  TYR  99           HD1      TYR  99   1.001   8.068  10.299
  553    HE1  TYR  99           HE2      TYR  99  -2.162   9.134   6.604
  554    HE2  TYR  99           HE1      TYR  99  -1.175   9.155  10.802
  555    HH   TYR  99           HH       TYR  99  -3.147   9.964   9.959
  556    HB2  TYR  99           2HB      TYR  99   2.226   6.683   8.753
  557    HB3  TYR  99           3HB      TYR  99   2.781   8.021   7.767
  558    H    SER 100           H        SER 100   2.421   4.364   5.216
  559    HA   SER 100           HA       SER 100   4.093   2.773   6.515
  560    HG   SER 100           HG       SER 100   1.966   2.679   4.564
  561    HB2  SER 100           2HB      SER 100   3.946   2.691   3.555
  562    HB3  SER 100           3HB      SER 100   4.581   1.524   4.683
  563    H    LYS 101           H        LYS 101   6.034   2.998   7.375
  564    HA   LYS 101           HA       LYS 101   8.281   3.482   7.701
  565    HB2  LYS 101           2HB      LYS 101   7.925   1.229   6.719
  566    HB3  LYS 101           3HB      LYS 101   8.198   1.906   5.123
  567    HG2  LYS 101           2HG      LYS 101  10.547   2.658   6.178
  568    HG3  LYS 101           3HG      LYS 101  10.151   1.477   7.410
  569    HD2  LYS 101           2HD      LYS 101  11.599   0.555   5.644
  570    HD3  LYS 101           3HD      LYS 101  10.071  -0.313   5.745
  571    HE2  LYS 101           2HE      LYS 101  10.919   0.128   3.405
  572    HE3  LYS 101           3HE      LYS 101   9.257   0.633   3.705
  573    HZ1  LYS 101           3HZ      LYS 101  10.714   2.322   2.501
  574    HZ2  LYS 101           1HZ      LYS 101   9.974   2.917   3.856
  575    HZ3  LYS 101           2HZ      LYS 101  11.550   2.514   3.856
  576    H    LEU 102           H        LEU 102   8.474   5.743   7.501
  577    HA   LEU 102           HA       LEU 102   8.907   7.369   5.367
  578    HG   LEU 102           HG       LEU 102   9.203   9.805   6.380
  579    HB2  LEU 102           2HB      LEU 102   8.779   7.901   7.816
  580    HB3  LEU 102           3HB      LEU 102  10.477   7.535   7.958
  581   HD11  LEU 102          1HD1      LEU 102  11.073   9.812   8.792
  582   HD12  LEU 102          2HD1      LEU 102  10.285  11.221   8.037
  583   HD13  LEU 102          3HD1      LEU 102   9.312  10.005   8.874
  584   HD21  LEU 102          3HD2      LEU 102  12.150   9.060   6.581
  585   HD22  LEU 102          1HD2      LEU 102  11.182   9.333   5.106
  586   HD23  LEU 102          2HD2      LEU 102  11.572  10.683   6.150
  587    HA   PRO 103           HA       PRO 103  13.590   6.827   4.933
  588    HB2  PRO 103           2HB      PRO 103  14.957   4.637   5.880
  589    HB3  PRO 103           3HB      PRO 103  14.648   6.114   6.838
  590    HG2  PRO 103           2HG      PRO 103  13.050   3.530   6.841
  591    HG3  PRO 103           3HG      PRO 103  13.678   4.449   8.250
  592    HD2  PRO 103           2HD      PRO 103  11.128   4.742   7.435
  593    HD3  PRO 103           3HD      PRO 103  12.086   6.154   7.970
  594    H    ALA 104           H        ALA 104  13.801   6.473   2.857
  595    HA   ALA 104           HA       ALA 104  13.655   5.698   0.765
  596    HB1  ALA 104           1HB      ALA 104  14.569   3.502   0.263
  597    HB2  ALA 104           2HB      ALA 104  15.540   4.318   1.502
  598    HB3  ALA 104           3HB      ALA 104  14.420   3.014   1.963
  Start of MODEL   11
    1    H    GLU  28           H        GLU  28   9.021  13.812   7.105
    2    HA   GLU  28           HA       GLU  28   9.160  13.787  10.043
    3    HB2  GLU  28           2HB      GLU  28   6.506  14.197   9.496
    4    HB3  GLU  28           3HB      GLU  28   7.680  15.372  10.040
    5    HG2  GLU  28           2HG      GLU  28   6.428  16.359   8.302
    6    HG3  GLU  28           3HG      GLU  28   8.061  16.132   7.704
    7    H    LEU  29           H        LEU  29   7.102  12.403   7.420
    8    HA   LEU  29           HA       LEU  29   7.792   9.740   8.423
    9    HG   LEU  29           HG       LEU  29   4.450   8.296   9.205
   10    HB2  LEU  29           2HB      LEU  29   5.499  10.590   9.522
   11    HB3  LEU  29           3HB      LEU  29   4.820  10.219   7.992
   12   HD11  LEU  29          1HD1      LEU  29   7.170   7.511   8.142
   13   HD12  LEU  29          2HD1      LEU  29   5.702   6.528   8.264
   14   HD13  LEU  29          3HD1      LEU  29   5.824   7.824   7.056
   15   HD21  LEU  29          3HD2      LEU  29   6.067   7.186  10.673
   16   HD22  LEU  29          1HD2      LEU  29   7.272   8.432  10.293
   17   HD23  LEU  29          2HD2      LEU  29   5.793   8.868  11.184
   18    H    SER  30           H        SER  30   5.281  10.954   6.292
   19    HA   SER  30           HA       SER  30   6.567  11.060   3.884
   20    HG   SER  30           HG       SER  30   7.600   8.721   4.470
   21    HB2  SER  30           2HB      SER  30   5.273   8.311   4.166
   22    HB3  SER  30           3HB      SER  30   5.510   9.128   2.622
   23    H    ASN  31           H        ASN  31   3.592  10.169   5.541
   24    HA   ASN  31           HA       ASN  31   1.421  10.610   5.354
   25    HB2  ASN  31           2HB      ASN  31   1.717  12.834   3.399
   26    HB3  ASN  31           3HB      ASN  31   0.591  12.640   4.717
   27   HD21  ASN  31          1HD2      ASN  31   3.721  13.756   3.766
   28   HD22  ASN  31          2HD2      ASN  31   4.163  14.486   5.312
   29    H    THR  32           H        THR  32   3.053   9.240   2.856
   30    HA   THR  32           HA       THR  32   0.644   8.950   1.116
   31    HB   THR  32           HB       THR  32   1.999   9.535  -0.814
   32    HG1  THR  32           1HG      THR  32   4.047  10.349  -0.529
   33   HG21  THR  32          1HG2      THR  32   0.767  11.371   0.351
   34   HG22  THR  32          2HG2      THR  32   2.284  11.800   1.178
   35   HG23  THR  32          3HG2      THR  32   2.177  11.888  -0.577
   36    H    ARG  33           H        ARG  33   1.997   6.592   2.697
   37    HA   ARG  33           HA       ARG  33   2.756   5.048   0.273
   38    HE   ARG  33           HE       ARG  33   6.950   6.921  -1.023
   39    HB2  ARG  33           2HB      ARG  33   4.708   5.387   2.537
   40    HB3  ARG  33           3HB      ARG  33   4.651   4.038   1.458
   41    HG2  ARG  33           2HG      ARG  33   6.203   4.981   0.370
   42    HG3  ARG  33           3HG      ARG  33   4.859   5.757  -0.451
   43    HD2  ARG  33           2HD      ARG  33   5.213   7.776   0.968
   44    HD3  ARG  33           3HD      ARG  33   6.518   6.914   1.825
   45   HH11  ARG  33          1HH1      ARG  33   7.770   8.783   1.831
   46   HH12  ARG  33          2HH1      ARG  33   8.897   9.768   0.932
   47   HH21  ARG  33          2HH2      ARG  33   8.124   8.343  -2.110
   48   HH22  ARG  33          1HH2      ARG  33   9.174   9.450  -1.252
   49    H    LEU  34           H        LEU  34   1.994   3.201   0.139
   50    HA   LEU  34           HA       LEU  34   0.634   2.125   2.497
   51    HG   LEU  34           HG       LEU  34  -2.009   2.903   0.052
   52    HB2  LEU  34           2HB      LEU  34   0.110   1.407  -0.278
   53    HB3  LEU  34           3HB      LEU  34  -0.942   1.179   1.077
   54   HD11  LEU  34          1HD1      LEU  34  -0.171   4.831   1.451
   55   HD12  LEU  34          2HD1      LEU  34  -1.912   4.880   1.208
   56   HD13  LEU  34          3HD1      LEU  34  -1.235   3.744   2.362
   57   HD21  LEU  34          3HD2      LEU  34  -0.931   3.430  -1.851
   58   HD22  LEU  34          1HD2      LEU  34  -0.493   4.897  -0.951
   59   HD23  LEU  34          2HD2      LEU  34   0.639   3.578  -1.084
   60    H    PHE  35           H        PHE  35   1.613   0.585   3.596
   61    HA   PHE  35           HA       PHE  35   3.451  -1.209   2.136
   62    HD1  PHE  35           HD1      PHE  35   4.652  -3.118   3.082
   63    HD2  PHE  35           HD2      PHE  35   5.247  -0.449   6.436
   64    HE1  PHE  35           HE1      PHE  35   6.325  -4.657   4.016
   65    HE2  PHE  35           HE2      PHE  35   6.916  -2.025   7.370
   66    HZ   PHE  35           HZ       PHE  35   7.483  -4.118   6.150
   67    HB2  PHE  35           2HB      PHE  35   4.528   0.047   3.494
   68    HB3  PHE  35           3HB      PHE  35   3.559   0.146   4.815
   69    H    VAL  36           H        VAL  36   2.403  -2.820   1.400
   70    HA   VAL  36           HA       VAL  36   0.717  -4.422   3.261
   71    HB   VAL  36           HB       VAL  36  -0.832  -4.821   1.421
   72   HG11  VAL  36          1HG1      VAL  36  -0.459  -1.897   2.263
   73   HG12  VAL  36          2HG1      VAL  36  -1.968  -2.683   1.747
   74   HG13  VAL  36          3HG1      VAL  36  -1.186  -3.148   3.278
   75   HG21  VAL  36          3HG2      VAL  36  -0.957  -3.408  -0.383
   76   HG22  VAL  36          1HG2      VAL  36   0.305  -2.259   0.236
   77   HG23  VAL  36          2HG2      VAL  36   0.747  -3.898  -0.356
   78    H    ARG  37           H        ARG  37   1.097  -6.361   3.385
   79    HA   ARG  37           HA       ARG  37   2.975  -7.804   1.577
   80    HE   ARG  37           HE       ARG  37   4.031  -7.507   7.938
   81    HB2  ARG  37           2HB      ARG  37   4.479  -8.150   3.567
   82    HB3  ARG  37           3HB      ARG  37   4.411  -6.507   2.980
   83    HG2  ARG  37           2HG      ARG  37   3.361  -5.688   4.843
   84    HG3  ARG  37           3HG      ARG  37   2.531  -7.194   5.205
   85    HD2  ARG  37           2HD      ARG  37   4.667  -8.231   5.899
   86    HD3  ARG  37           3HD      ARG  37   5.524  -6.733   5.609
   87   HH11  ARG  37          1HH2      ARG  37   4.542  -4.436   6.208
   88   HH12  ARG  37          2HH2      ARG  37   3.963  -3.568   7.623
   89   HH21  ARG  37          1HH1      ARG  37   3.379  -6.138   9.618
   90   HH22  ARG  37          2HH1      ARG  37   3.418  -4.400   9.301
   91    HA   PRO  38           HA       PRO  38   0.511 -10.886   4.296
   92    HB2  PRO  38           2HB      PRO  38  -2.014 -11.156   3.361
   93    HB3  PRO  38           3HB      PRO  38  -1.583  -9.796   4.460
   94    HG2  PRO  38           2HG      PRO  38  -1.691  -9.713   1.452
   95    HG3  PRO  38           3HG      PRO  38  -2.597  -8.728   2.602
   96    HD2  PRO  38           2HD      PRO  38  -0.210  -7.852   1.622
   97    HD3  PRO  38           3HD      PRO  38  -0.560  -7.602   3.349
   98    H    PHE  39           H        PHE  39   0.612 -10.285   0.873
   99    HA   PHE  39           HA       PHE  39  -0.272 -12.917   0.052
  100    HD1  PHE  39           HD2      PHE  39   1.748  -9.291  -0.971
  101    HD2  PHE  39           HD1      PHE  39  -2.481 -10.064  -1.263
  102    HE1  PHE  39           HE2      PHE  39   1.284  -6.861  -0.765
  103    HE2  PHE  39           HE1      PHE  39  -2.942  -7.649  -0.964
  104    HZ   PHE  39           HZ       PHE  39  -1.064  -6.032  -0.770
  105    HB2  PHE  39           2HB      PHE  39   0.747 -11.382  -2.127
  106    HB3  PHE  39           3HB      PHE  39  -0.908 -11.811  -1.755
  107    HA   PRO  40           HA       PRO  40   3.805 -14.559  -1.076
  108    HB2  PRO  40           2HB      PRO  40   3.155 -16.283  -3.085
  109    HB3  PRO  40           3HB      PRO  40   2.680 -16.586  -1.395
  110    HG2  PRO  40           2HG      PRO  40   0.999 -15.319  -3.587
  111    HG3  PRO  40           3HG      PRO  40   0.550 -16.673  -2.498
  112    HD2  PRO  40           2HD      PRO  40  -0.156 -14.083  -2.009
  113    HD3  PRO  40           3HD      PRO  40   0.240 -15.211  -0.684
  114    H    LEU  41           H        LEU  41   5.004 -14.903  -3.351
  115    HA   LEU  41           HA       LEU  41   5.517 -12.383  -4.489
  116    HG   LEU  41           HG       LEU  41   7.898 -13.085  -4.277
  117    HB2  LEU  41           2HB      LEU  41   6.068 -15.209  -5.489
  118    HB3  LEU  41           3HB      LEU  41   6.632 -13.767  -6.318
  119   HD11  LEU  41          1HD1      LEU  41   8.514 -14.905  -2.667
  120   HD12  LEU  41          2HD1      LEU  41   6.854 -14.364  -2.487
  121   HD13  LEU  41          3HD1      LEU  41   7.199 -15.899  -3.325
  122   HD21  LEU  41          3HD2      LEU  41   8.958 -14.208  -6.197
  123   HD22  LEU  41          1HD2      LEU  41   9.728 -14.682  -4.684
  124   HD23  LEU  41          2HD2      LEU  41   8.595 -15.794  -5.482
  125    H    ASP  42           H        ASP  42   2.926 -14.509  -5.297
  126    HA   ASP  42           HA       ASP  42   2.376 -13.849  -7.983
  127    HB2  ASP  42           2HB      ASP  42   0.461 -14.585  -5.742
  128    HB3  ASP  42           3HB      ASP  42   0.109 -14.668  -7.463
  129    H    VAL  43           H        VAL  43   1.863 -11.752  -5.154
  130    HA   VAL  43           HA       VAL  43  -0.206 -10.160  -6.435
  131    HB   VAL  43           HB       VAL  43   0.156 -10.025  -4.012
  132   HG11  VAL  43          1HG1      VAL  43   2.776  -8.626  -4.717
  133   HG12  VAL  43          2HG1      VAL  43   1.998  -8.496  -3.159
  134   HG13  VAL  43          3HG1      VAL  43   2.535 -10.080  -3.717
  135   HG21  VAL  43          3HG2      VAL  43  -0.240  -7.667  -3.755
  136   HG22  VAL  43          1HG2      VAL  43   0.530  -7.287  -5.293
  137   HG23  VAL  43          2HG2      VAL  43  -1.000  -8.178  -5.257
  138    H    GLN  44           H        GLN  44  -0.088  -8.193  -7.473
  139    HA   GLN  44           HA       GLN  44   2.349  -7.048  -8.457
  140    HB2  GLN  44           2HB      GLN  44   2.132  -7.707 -10.836
  141    HB3  GLN  44           3HB      GLN  44   2.512  -9.050  -9.779
  142    HG2  GLN  44           2HG      GLN  44  -0.090  -9.494  -9.783
  143    HG3  GLN  44           3HG      GLN  44  -0.067  -8.464 -11.220
  144   HE21  GLN  44          2HE2      GLN  44   0.832 -11.577  -9.829
  145   HE22  GLN  44          1HE2      GLN  44   1.370 -12.298 -11.337
  146    H    GLU  45           H        GLU  45   1.714  -5.561 -10.464
  147    HA   GLU  45           HA       GLU  45   0.151  -3.627  -9.212
  148    HB2  GLU  45           2HB      GLU  45   1.883  -3.520 -11.271
  149    HB3  GLU  45           3HB      GLU  45   0.381  -3.502 -12.206
  150    HG2  GLU  45           2HG      GLU  45  -0.272  -1.624 -10.365
  151    HG3  GLU  45           3HG      GLU  45   1.472  -1.506 -10.227
  152    H    SER  46           H        SER  46  -1.112  -6.110 -11.493
  153    HA   SER  46           HA       SER  46  -3.646  -4.834 -11.933
  154    HG   SER  46           HG       SER  46  -2.583  -8.392 -11.410
  155    HB2  SER  46           2HB      SER  46  -4.363  -7.319 -12.313
  156    HB3  SER  46           3HB      SER  46  -3.259  -6.504 -13.430
  157    H    GLU  47           H        GLU  47  -2.453  -6.680  -9.126
  158    HA   GLU  47           HA       GLU  47  -5.119  -7.332  -8.071
  159    HB2  GLU  47           2HB      GLU  47  -2.172  -7.887  -7.538
  160    HB3  GLU  47           3HB      GLU  47  -3.253  -7.958  -6.191
  161    HG2  GLU  47           2HG      GLU  47  -2.906 -10.152  -7.285
  162    HG3  GLU  47           3HG      GLU  47  -4.606  -9.637  -7.280
  163    H    LEU  48           H        LEU  48  -2.263  -5.297  -7.503
  164    HA   LEU  48           HA       LEU  48  -3.379  -3.765  -5.336
  165    HG   LEU  48           HG       LEU  48  -1.050  -5.191  -5.505
  166    HB2  LEU  48           2HB      LEU  48  -1.217  -3.157  -7.371
  167    HB3  LEU  48           3HB      LEU  48  -1.525  -2.244  -6.008
  168   HD11  LEU  48          1HD1      LEU  48   1.263  -3.318  -5.980
  169   HD12  LEU  48          2HD1      LEU  48   1.296  -5.057  -5.656
  170   HD13  LEU  48          3HD1      LEU  48   0.682  -4.457  -7.204
  171   HD21  LEU  48          3HD2      LEU  48   0.261  -4.289  -3.692
  172   HD22  LEU  48          1HD2      LEU  48  -0.059  -2.609  -4.272
  173   HD23  LEU  48          2HD2      LEU  48  -1.387  -3.677  -3.675
  174    H    ASN  49           H        ASN  49  -3.515  -3.453  -8.906
  175    HA   ASN  49           HA       ASN  49  -4.974  -0.957  -8.895
  176    HB2  ASN  49           2HB      ASN  49  -4.564  -3.084 -10.963
  177    HB3  ASN  49           3HB      ASN  49  -5.968  -2.058 -11.154
  178   HD21  ASN  49          2HD2      ASN  49  -2.460  -1.915 -10.747
  179   HD22  ASN  49          1HD2      ASN  49  -2.238  -0.476 -11.736
  180    H    GLU  50           H        GLU  50  -6.220  -4.333  -8.761
  181    HA   GLU  50           HA       GLU  50  -8.994  -3.635  -8.635
  182    HB2  GLU  50           2HB      GLU  50  -7.318  -5.939  -7.681
  183    HB3  GLU  50           3HB      GLU  50  -8.994  -5.843  -7.165
  184    HG2  GLU  50           2HG      GLU  50  -8.034  -5.792 -10.078
  185    HG3  GLU  50           3HG      GLU  50  -8.568  -7.238  -9.235
  186    H    ILE  51           H        ILE  51  -6.569  -3.840  -6.015
  187    HA   ILE  51           HA       ILE  51  -8.563  -3.339  -3.932
  188    HB   ILE  51           HB       ILE  51  -5.576  -3.522  -4.042
  189   HG12  ILE  51          2HG1      ILE  51  -7.491  -5.490  -2.743
  190   HG13  ILE  51          3HG1      ILE  51  -6.975  -5.619  -4.419
  191   HG21  ILE  51          1HG2      ILE  51  -5.599  -3.654  -1.514
  192   HG22  ILE  51          2HG2      ILE  51  -6.113  -2.075  -2.091
  193   HG23  ILE  51          3HG2      ILE  51  -7.332  -3.253  -1.558
  194   HD11  ILE  51          3HD1      ILE  51  -5.516  -7.042  -3.236
  195   HD12  ILE  51          1HD1      ILE  51  -4.554  -5.608  -3.600
  196   HD13  ILE  51          2HD1      ILE  51  -5.213  -5.850  -1.958
  197    H    PHE  52           H        PHE  52  -5.997  -1.341  -5.430
  198    HA   PHE  52           HA       PHE  52  -6.496   0.918  -3.624
  199    HD1  PHE  52           HD2      PHE  52  -4.309  -1.897  -4.173
  200    HD2  PHE  52           HD1      PHE  52  -3.426   1.993  -2.588
  201    HE1  PHE  52           HE2      PHE  52  -2.894  -2.949  -2.470
  202    HE2  PHE  52           HE1      PHE  52  -1.815   0.939  -1.056
  203    HZ   PHE  52           HZ       PHE  52  -1.395  -1.518  -1.141
  204    HB2  PHE  52           2HB      PHE  52  -4.379   0.320  -5.605
  205    HB3  PHE  52           3HB      PHE  52  -4.458   1.817  -4.703
  206    H    GLY  53           H        GLY  53  -6.889   0.065  -7.033
  207    HA2  GLY  53           2HA      GLY  53  -7.119   2.531  -8.307
  208    HA3  GLY  53           3HA      GLY  53  -8.052   1.087  -8.701
  209    HA   PRO  54           HA       PRO  54 -11.745   2.843  -6.669
  210    HB2  PRO  54           2HB      PRO  54 -11.300   1.776  -3.894
  211    HB3  PRO  54           3HB      PRO  54 -12.766   1.690  -4.918
  212    HG2  PRO  54           2HG      PRO  54 -11.197  -0.493  -4.606
  213    HG3  PRO  54           3HG      PRO  54 -11.811  -0.076  -6.246
  214    HD2  PRO  54           2HD      PRO  54  -9.159   0.665  -5.000
  215    HD3  PRO  54           3HD      PRO  54  -9.398  -0.189  -6.539
  216    H    PHE  55           H        PHE  55  -8.759   3.339  -4.769
  217    HA   PHE  55           HA       PHE  55  -9.770   5.555  -3.188
  218    HD1  PHE  55           HD1      PHE  55  -9.781   3.563  -2.114
  219    HD2  PHE  55           HD2      PHE  55  -5.511   3.543  -2.504
  220    HE1  PHE  55           HE1      PHE  55  -9.711   1.357  -1.004
  221    HE2  PHE  55           HE2      PHE  55  -5.417   1.417  -1.154
  222    HZ   PHE  55           HZ       PHE  55  -7.541   0.313  -0.490
  223    HB2  PHE  55           2HB      PHE  55  -6.840   5.014  -3.816
  224    HB3  PHE  55           3HB      PHE  55  -7.537   5.844  -2.460
  225    H    GLY  56           H        GLY  56  -7.919   5.172  -6.154
  226    HA2  GLY  56           2HA      GLY  56  -8.836   6.748  -7.852
  227    HA3  GLY  56           3HA      GLY  56  -8.299   8.051  -6.771
  228    HA   PRO  57           HA       PRO  57  -4.274   7.768  -8.716
  229    HB2  PRO  57           2HB      PRO  57  -2.564   8.702  -6.830
  230    HB3  PRO  57           3HB      PRO  57  -3.859   9.741  -7.502
  231    HG2  PRO  57           2HG      PRO  57  -3.891   8.160  -4.914
  232    HG3  PRO  57           3HG      PRO  57  -4.322   9.880  -5.162
  233    HD2  PRO  57           2HD      PRO  57  -6.180   7.843  -5.108
  234    HD3  PRO  57           3HD      PRO  57  -6.408   9.319  -6.081
  235    H    MET  58           H        MET  58  -2.342   6.605  -8.775
  236    HA   MET  58           HA       MET  58  -1.369   4.844  -6.631
  237    HB2  MET  58           2HB      MET  58  -1.777   3.672  -9.341
  238    HB3  MET  58           3HB      MET  58  -1.207   2.874  -7.894
  239    HG2  MET  58           2HG      MET  58  -3.514   3.215  -6.882
  240    HG3  MET  58           3HG      MET  58  -4.063   3.760  -8.476
  241    HE1  MET  58           3HE      MET  58  -2.736  -0.429  -7.185
  242    HE2  MET  58           1HE      MET  58  -1.474   0.699  -7.715
  243    HE3  MET  58           2HE      MET  58  -2.522   1.115  -6.331
  244    H    LYS  59           H        LYS  59  -0.358   6.962  -7.094
  245    HA   LYS  59           HA       LYS  59   1.186   7.620  -9.324
  246    HB2  LYS  59           2HB      LYS  59   0.676   9.260  -7.784
  247    HB3  LYS  59           3HB      LYS  59   1.252   8.302  -6.447
  248    HG2  LYS  59           2HG      LYS  59   3.121   9.589  -8.422
  249    HG3  LYS  59           3HG      LYS  59   2.564  10.276  -6.899
  250    HD2  LYS  59           2HD      LYS  59   3.417   7.882  -5.943
  251    HD3  LYS  59           3HD      LYS  59   4.465   8.043  -7.345
  252    HE2  LYS  59           2HE      LYS  59   4.471  10.568  -6.176
  253    HE3  LYS  59           3HE      LYS  59   4.404   9.439  -4.800
  254    HZ1  LYS  59           3HZ      LYS  59   6.377   8.508  -6.612
  255    HZ2  LYS  59           1HZ      LYS  59   6.682  10.092  -6.303
  256    HZ3  LYS  59           2HZ      LYS  59   6.569   9.009  -5.074
  257    H    GLU  60           H        GLU  60   1.953   5.269  -6.827
  258    HA   GLU  60           HA       GLU  60   3.880   4.059  -8.533
  259    HB2  GLU  60           2HB      GLU  60   4.980   5.995  -6.614
  260    HB3  GLU  60           3HB      GLU  60   5.532   4.380  -6.216
  261    HG2  GLU  60           2HG      GLU  60   6.491   4.094  -8.428
  262    HG3  GLU  60           3HG      GLU  60   5.827   5.636  -8.970
  263    H    VAL  61           H        VAL  61   4.847   2.220  -7.847
  264    HA   VAL  61           HA       VAL  61   3.474   0.700  -5.720
  265    HB   VAL  61           HB       VAL  61   3.311  -0.352  -8.577
  266   HG11  VAL  61          1HG1      VAL  61   2.708  -1.623  -6.442
  267   HG12  VAL  61          2HG1      VAL  61   1.263  -0.591  -6.372
  268   HG13  VAL  61          3HG1      VAL  61   1.502  -1.616  -7.767
  269   HG21  VAL  61          3HG2      VAL  61   1.034   0.467  -8.948
  270   HG22  VAL  61          1HG2      VAL  61   1.184   1.556  -7.562
  271   HG23  VAL  61          2HG2      VAL  61   2.220   1.766  -8.990
  272    H    LYS  62           H        LYS  62   5.543   0.666  -4.875
  273    HA   LYS  62           HA       LYS  62   7.776  -0.607  -6.336
  274    HB2  LYS  62           2HB      LYS  62   7.424  -0.221  -3.349
  275    HB3  LYS  62           3HB      LYS  62   8.932  -0.417  -4.189
  276    HG2  LYS  62           2HG      LYS  62   7.296   2.042  -4.902
  277    HG3  LYS  62           3HG      LYS  62   7.872   1.939  -3.276
  278    HD2  LYS  62           2HD      LYS  62   9.447   3.201  -4.607
  279    HD3  LYS  62           3HD      LYS  62  10.202   1.706  -4.067
  280    HE2  LYS  62           2HE      LYS  62  10.841   2.118  -6.352
  281    HE3  LYS  62           3HE      LYS  62   9.805   0.687  -6.297
  282    HZ1  LYS  62           3HZ      LYS  62   9.214   2.230  -8.116
  283    HZ2  LYS  62           1HZ      LYS  62   7.965   2.107  -7.061
  284    HZ3  LYS  62           2HZ      LYS  62   8.919   3.442  -7.058
  285    H    ILE  63           H        ILE  63   7.747  -2.814  -6.672
  286    HA   ILE  63           HA       ILE  63   6.282  -4.544  -4.719
  287    HB   ILE  63           HB       ILE  63   6.177  -4.825  -7.738
  288   HG12  ILE  63          2HG1      ILE  63   4.051  -3.957  -5.718
  289   HG13  ILE  63          3HG1      ILE  63   4.825  -2.931  -6.917
  290   HG21  ILE  63          1HG2      ILE  63   4.568  -6.658  -7.300
  291   HG22  ILE  63          2HG2      ILE  63   6.105  -7.029  -6.555
  292   HG23  ILE  63          3HG2      ILE  63   4.769  -6.432  -5.547
  293   HD11  ILE  63          3HD1      ILE  63   2.873  -5.159  -7.445
  294   HD12  ILE  63          1HD1      ILE  63   2.674  -3.448  -7.755
  295   HD13  ILE  63          2HD1      ILE  63   3.824  -4.363  -8.744
  296    H    LEU  64           H        LEU  64   7.192  -6.156  -3.933
  297    HA   LEU  64           HA       LEU  64   9.731  -7.318  -4.985
  298    HG   LEU  64           HG       LEU  64  11.284  -5.177  -3.809
  299    HB2  LEU  64           2HB      LEU  64   9.170  -6.499  -2.127
  300    HB3  LEU  64           3HB      LEU  64  10.639  -7.198  -2.744
  301   HD11  LEU  64          1HD1      LEU  64  10.002  -2.996  -2.989
  302   HD12  LEU  64          2HD1      LEU  64   9.705  -3.746  -4.541
  303   HD13  LEU  64          3HD1      LEU  64   8.594  -4.056  -3.200
  304   HD21  LEU  64          3HD2      LEU  64  11.626  -3.890  -1.728
  305   HD22  LEU  64          1HD2      LEU  64  10.401  -4.928  -0.946
  306   HD23  LEU  64          2HD2      LEU  64  11.903  -5.631  -1.551
  307    H    ASN  65           H        ASN  65  10.178  -8.965  -2.962
  308    HA   ASN  65           HA       ASN  65   9.267 -11.389  -3.592
  309    HB2  ASN  65           2HB      ASN  65  10.087 -11.059  -0.747
  310    HB3  ASN  65           3HB      ASN  65  10.732 -12.122  -1.985
  311   HD21  ASN  65          2HD2      ASN  65  12.291 -10.981  -3.598
  312   HD22  ASN  65          1HD2      ASN  65  13.092  -9.523  -2.994
  313    H    GLY  66           H        GLY  66   6.743 -10.110  -3.019
  314    HA2  GLY  66           2HA      GLY  66   4.712 -11.215  -2.161
  315    HA3  GLY  66           3HA      GLY  66   5.566 -11.601  -0.684
  316    H    PHE  67           H        PHE  67   6.362  -8.523  -2.097
  317    HA   PHE  67           HA       PHE  67   4.750  -7.132   0.008
  318    HD1  PHE  67           HD2      PHE  67   5.697  -8.126   1.896
  319    HD2  PHE  67           HD1      PHE  67   9.426  -7.915  -0.221
  320    HE1  PHE  67           HE2      PHE  67   6.596  -9.867   3.388
  321    HE2  PHE  67           HE1      PHE  67  10.324  -9.715   1.205
  322    HZ   PHE  67           HZ       PHE  67   8.942 -10.699   3.027
  323    HB2  PHE  67           2HB      PHE  67   7.564  -6.431  -0.804
  324    HB3  PHE  67           3HB      PHE  67   6.682  -5.902   0.608
  325    H    ALA  68           H        ALA  68   4.030  -5.147  -0.376
  326    HA   ALA  68           HA       ALA  68   4.687  -3.715  -2.922
  327    HB1  ALA  68           1HB      ALA  68   2.286  -3.234  -3.170
  328    HB2  ALA  68           2HB      ALA  68   2.755  -4.919  -3.494
  329    HB3  ALA  68           3HB      ALA  68   1.954  -4.516  -1.976
  330    H    PHE  69           H        PHE  69   5.159  -1.773  -2.609
  331    HA   PHE  69           HA       PHE  69   4.250  -0.283  -0.223
  332    HD1  PHE  69           HD1      PHE  69   7.304  -2.210  -1.966
  333    HD2  PHE  69           HD2      PHE  69   7.024  -0.684   2.052
  334    HE1  PHE  69           HE1      PHE  69   8.366  -4.251  -1.106
  335    HE2  PHE  69           HE2      PHE  69   8.271  -2.663   2.872
  336    HZ   PHE  69           HZ       PHE  69   9.024  -4.444   1.217
  337    HB2  PHE  69           2HB      PHE  69   6.942   0.331  -1.370
  338    HB3  PHE  69           3HB      PHE  69   6.294   0.683   0.197
  339    H    VAL  70           H        VAL  70   2.561   0.304  -1.422
  340    HA   VAL  70           HA       VAL  70   2.888   1.692  -3.995
  341    HB   VAL  70           HB       VAL  70   0.316   1.572  -2.378
  342   HG11  VAL  70          1HG1      VAL  70   0.268   2.815  -4.614
  343   HG12  VAL  70          2HG1      VAL  70   0.831   1.273  -5.355
  344   HG13  VAL  70          3HG1      VAL  70  -0.748   1.343  -4.596
  345   HG21  VAL  70          3HG2      VAL  70   1.036  -0.739  -2.504
  346   HG22  VAL  70          1HG2      VAL  70  -0.242  -0.457  -3.695
  347   HG23  VAL  70          2HG2      VAL  70   1.477  -0.481  -4.230
  348    H    GLU  71           H        GLU  71   2.134   3.905  -4.293
  349    HA   GLU  71           HA       GLU  71   2.769   5.670  -1.974
  350    HB2  GLU  71           2HB      GLU  71   4.874   4.888  -3.163
  351    HB3  GLU  71           3HB      GLU  71   4.276   5.662  -4.616
  352    HG2  GLU  71           2HG      GLU  71   4.373   7.825  -3.670
  353    HG3  GLU  71           3HG      GLU  71   4.523   7.215  -2.034
  354    H    PHE  72           H        PHE  72   2.030   7.725  -2.270
  355    HA   PHE  72           HA       PHE  72   0.459   8.381  -4.707
  356    HD1  PHE  72           HD2      PHE  72  -1.085   6.808  -4.780
  357    HD2  PHE  72           HD1      PHE  72  -1.789   7.765  -0.642
  358    HE1  PHE  72           HE2      PHE  72  -2.442   4.749  -4.521
  359    HE2  PHE  72           HE1      PHE  72  -3.243   5.760  -0.436
  360    HZ   PHE  72           HZ       PHE  72  -3.536   4.246  -2.361
  361    HB2  PHE  72           2HB      PHE  72  -0.191   9.004  -1.818
  362    HB3  PHE  72           3HB      PHE  72  -1.151   9.461  -3.209
  363    H    GLU  73           H        GLU  73  -0.046  10.615  -4.993
  364    HA   GLU  73           HA       GLU  73   1.931  12.574  -3.918
  365    HB2  GLU  73           2HB      GLU  73   1.583  13.905  -5.938
  366    HB3  GLU  73           3HB      GLU  73   2.278  12.329  -6.273
  367    HG2  GLU  73           2HG      GLU  73  -0.033  11.504  -6.913
  368    HG3  GLU  73           3HG      GLU  73  -0.646  13.136  -6.665
  369    H    GLU  74           H        GLU  74  -0.715  11.450  -2.982
  370    HA   GLU  74           HA       GLU  74  -2.290  13.915  -2.445
  371    HB2  GLU  74           2HB      GLU  74  -3.227  12.706  -4.437
  372    HB3  GLU  74           3HB      GLU  74  -3.388  11.248  -3.459
  373    HG2  GLU  74           2HG      GLU  74  -4.909  12.552  -1.905
  374    HG3  GLU  74           3HG      GLU  74  -4.826  13.905  -3.036
  375    H    ALA  75           H        ALA  75  -1.712  13.961  -0.249
  376    HA   ALA  75           HA       ALA  75  -1.508  11.699   1.450
  377    HB1  ALA  75           1HB      ALA  75  -2.206  14.589   2.125
  378    HB2  ALA  75           2HB      ALA  75  -1.627  13.354   3.266
  379    HB3  ALA  75           3HB      ALA  75  -0.564  13.916   1.968
  380    H    GLU  76           H        GLU  76  -4.365  13.478   0.390
  381    HA   GLU  76           HA       GLU  76  -6.245  12.285   2.232
  382    HB2  GLU  76           2HB      GLU  76  -6.690  13.321  -0.596
  383    HB3  GLU  76           3HB      GLU  76  -7.949  12.960   0.579
  384    HG2  GLU  76           2HG      GLU  76  -5.805  15.110   0.900
  385    HG3  GLU  76           3HG      GLU  76  -7.459  15.381   0.375
  386    H    SER  77           H        SER  77  -4.660  11.005  -0.680
  387    HA   SER  77           HA       SER  77  -6.466   8.697  -0.792
  388    HG   SER  77           HG       SER  77  -4.410   6.888  -2.469
  389    HB2  SER  77           2HB      SER  77  -5.253   9.454  -2.823
  390    HB3  SER  77           3HB      SER  77  -3.746   8.898  -2.103
  391    H    ALA  78           H        ALA  78  -3.345   9.431   0.746
  392    HA   ALA  78           HA       ALA  78  -3.031   6.718   1.685
  393    HB1  ALA  78           1HB      ALA  78  -1.402   7.657   3.192
  394    HB2  ALA  78           2HB      ALA  78  -1.283   8.430   1.591
  395    HB3  ALA  78           3HB      ALA  78  -2.060   9.300   2.931
  396    H    ALA  79           H        ALA  79  -4.504   9.631   3.235
  397    HA   ALA  79           HA       ALA  79  -5.597   8.451   5.529
  398    HB1  ALA  79           1HB      ALA  79  -7.186  10.298   5.485
  399    HB2  ALA  79           2HB      ALA  79  -5.565  10.862   5.039
  400    HB3  ALA  79           3HB      ALA  79  -6.806  10.626   3.786
  401    H    LYS  80           H        LYS  80  -7.254   8.673   2.290
  402    HA   LYS  80           HA       LYS  80  -9.408   7.083   3.296
  403    HB2  LYS  80           2HB      LYS  80 -10.465   7.415   1.320
  404    HB3  LYS  80           3HB      LYS  80  -9.297   8.728   1.222
  405    HG2  LYS  80           2HG      LYS  80  -7.895   7.103  -0.233
  406    HG3  LYS  80           3HG      LYS  80  -9.307   6.064  -0.230
  407    HD2  LYS  80           2HD      LYS  80  -9.894   7.322  -2.092
  408    HD3  LYS  80           3HD      LYS  80 -10.535   8.437  -0.893
  409    HE2  LYS  80           2HE      LYS  80  -8.356   9.671  -0.909
  410    HE3  LYS  80           3HE      LYS  80  -7.749   8.519  -2.123
  411    HZ1  LYS  80           3HZ      LYS  80  -9.328   9.291  -3.677
  412    HZ2  LYS  80           1HZ      LYS  80 -10.002  10.359  -2.610
  413    HZ3  LYS  80           2HZ      LYS  80  -8.444  10.562  -3.116
  414    H    ALA  81           H        ALA  81  -6.511   6.148   1.490
  415    HA   ALA  81           HA       ALA  81  -7.199   3.461   0.991
  416    HB1  ALA  81           1HB      ALA  81  -4.433   4.576   1.569
  417    HB2  ALA  81           2HB      ALA  81  -4.813   3.043   0.753
  418    HB3  ALA  81           3HB      ALA  81  -5.261   4.555   0.001
  419    H    ILE  82           H        ILE  82  -5.676   5.016   3.876
  420    HA   ILE  82           HA       ILE  82  -5.407   2.763   5.509
  421    HB   ILE  82           HB       ILE  82  -5.997   5.620   6.293
  422   HG12  ILE  82          2HG1      ILE  82  -3.354   4.342   6.887
  423   HG13  ILE  82          3HG1      ILE  82  -3.646   4.752   5.206
  424   HG21  ILE  82          1HG2      ILE  82  -6.688   4.221   8.182
  425   HG22  ILE  82          2HG2      ILE  82  -5.146   3.337   8.124
  426   HG23  ILE  82          3HG2      ILE  82  -5.191   5.048   8.580
  427   HD11  ILE  82          3HD1      ILE  82  -2.558   6.617   6.315
  428   HD12  ILE  82          1HD1      ILE  82  -4.232   7.058   5.925
  429   HD13  ILE  82          2HD1      ILE  82  -3.808   6.648   7.591
  430    H    GLU  83           H        GLU  83  -8.126   5.125   5.524
  431    HA   GLU  83           HA       GLU  83  -9.737   3.586   7.293
  432    HB2  GLU  83           2HB      GLU  83 -10.485   5.707   5.267
  433    HB3  GLU  83           3HB      GLU  83 -11.597   5.055   6.478
  434    HG2  GLU  83           2HG      GLU  83  -8.968   6.490   7.103
  435    HG3  GLU  83           3HG      GLU  83 -10.573   7.201   7.167
  436    H    GLU  84           H        GLU  84  -9.347   3.245   3.840
  437    HA   GLU  84           HA       GLU  84 -11.750   1.673   3.318
  438    HB2  GLU  84           2HB      GLU  84  -9.140   2.118   1.812
  439    HB3  GLU  84           3HB      GLU  84 -10.375   1.024   1.215
  440    HG2  GLU  84           2HG      GLU  84 -11.088   3.858   1.854
  441    HG3  GLU  84           3HG      GLU  84 -10.259   3.508   0.353
  442    H    VAL  85           H        VAL  85  -8.288   0.840   3.867
  443    HA   VAL  85           HA       VAL  85  -9.077  -1.987   4.328
  444    HB   VAL  85           HB       VAL  85  -9.058  -1.421   1.894
  445   HG11  VAL  85          1HG1      VAL  85  -7.181   0.031   1.727
  446   HG12  VAL  85          2HG1      VAL  85  -6.086  -1.310   2.213
  447   HG13  VAL  85          3HG1      VAL  85  -6.961  -1.387   0.687
  448   HG21  VAL  85          3HG2      VAL  85  -8.042  -3.508   1.174
  449   HG22  VAL  85          1HG2      VAL  85  -7.366  -3.730   2.798
  450   HG23  VAL  85          2HG2      VAL  85  -9.115  -3.683   2.576
  451    H    HIS  86           H        HIS  86  -7.089   0.371   5.538
  452    HA   HIS  86           HA       HIS  86  -4.768  -1.269   6.196
  453    HD1  HIS  86           HD1      HIS  86  -2.426   1.501   7.244
  454    HD2  HIS  86           HD2      HIS  86  -4.849  -0.590   9.964
  455    HE1  HIS  86           HE1      HIS  86  -0.953   0.986   9.265
  456    HB2  HIS  86           2HB      HIS  86  -4.823   1.173   6.431
  457    HB3  HIS  86           3HB      HIS  86  -5.964   1.043   7.761
  458    H    GLY  87           H        GLY  87  -4.886  -3.131   7.302
  459    HA2  GLY  87           2HA      GLY  87  -4.827  -4.187   9.427
  460    HA3  GLY  87           3HA      GLY  87  -6.068  -3.104  10.048
  461    H    LYS  88           H        LYS  88  -7.151  -3.867   7.130
  462    HA   LYS  88           HA       LYS  88  -9.071  -5.968   7.794
  463    HB2  LYS  88           2HB      LYS  88  -8.229  -4.371   5.337
  464    HB3  LYS  88           3HB      LYS  88  -9.342  -5.648   5.246
  465    HG2  LYS  88           2HG      LYS  88 -10.580  -3.615   5.303
  466    HG3  LYS  88           3HG      LYS  88 -10.908  -4.447   6.817
  467    HD2  LYS  88           2HD      LYS  88  -9.700  -2.880   8.103
  468    HD3  LYS  88           3HD      LYS  88  -8.676  -2.426   6.729
  469    HE2  LYS  88           2HE      LYS  88 -10.598  -1.364   5.627
  470    HE3  LYS  88           3HE      LYS  88 -11.589  -1.662   7.057
  471    HZ1  LYS  88           3HZ      LYS  88 -10.630   0.581   7.042
  472    HZ2  LYS  88           1HZ      LYS  88 -10.045  -0.260   8.332
  473    HZ3  LYS  88           2HZ      LYS  88  -9.104  -0.007   7.023
  474    H    SER  89           H        SER  89  -8.851  -8.032   7.193
  475    HA   SER  89           HA       SER  89  -6.193  -9.094   6.595
  476    HG   SER  89           HG       SER  89  -9.455 -10.642   6.328
  477    HB2  SER  89           2HB      SER  89  -7.333 -11.312   6.845
  478    HB3  SER  89           3HB      SER  89  -7.423 -10.240   8.256
  479    H    PHE  90           H        PHE  90  -5.512  -8.783   4.454
  480    HA   PHE  90           HA       PHE  90  -7.398  -9.695   2.292
  481    HD1  PHE  90           HD1      PHE  90  -7.894  -7.461   0.441
  482    HD2  PHE  90           HD2      PHE  90  -4.321  -9.812  -0.034
  483    HE1  PHE  90           HE1      PHE  90  -8.550  -7.969  -1.895
  484    HE2  PHE  90           HE2      PHE  90  -4.980 -10.332  -2.388
  485    HZ   PHE  90           HZ       PHE  90  -7.129  -9.458  -3.278
  486    HB2  PHE  90           2HB      PHE  90  -6.160  -7.485   2.143
  487    HB3  PHE  90           3HB      PHE  90  -4.690  -8.434   2.014
  488    H    ALA  91           H        ALA  91  -6.839 -11.393   0.971
  489    HA   ALA  91           HA       ALA  91  -6.195 -13.464   0.433
  490    HB1  ALA  91           1HB      ALA  91  -4.211 -12.255  -0.285
  491    HB2  ALA  91           2HB      ALA  91  -3.447 -12.473   1.287
  492    HB3  ALA  91           3HB      ALA  91  -3.786 -13.888   0.262
  493    H    ASN  92           H        ASN  92  -4.350 -12.940   3.468
  494    HA   ASN  92           HA       ASN  92  -6.013 -14.805   4.934
  495    HB2  ASN  92           2HB      ASN  92  -4.224 -16.382   5.569
  496    HB3  ASN  92           3HB      ASN  92  -4.515 -16.420   3.841
  497   HD21  ASN  92          2HD2      ASN  92  -2.234 -15.255   6.346
  498   HD22  ASN  92          1HD2      ASN  92  -0.898 -15.083   5.223
  499    H    GLN  93           H        GLN  93  -4.174 -11.974   4.956
  500    HA   GLN  93           HA       GLN  93  -4.161 -11.720   7.855
  501    HB2  GLN  93           2HB      GLN  93  -1.750 -11.605   8.178
  502    HB3  GLN  93           3HB      GLN  93  -2.240 -13.180   7.618
  503    HG2  GLN  93           2HG      GLN  93  -1.544 -12.362   5.268
  504    HG3  GLN  93           3HG      GLN  93  -0.739 -11.033   6.129
  505   HE21  GLN  93          2HE2      GLN  93   0.380 -13.375   4.468
  506   HE22  GLN  93          1HE2      GLN  93   1.480 -14.159   5.594
  507    HA   PRO  94           HA       PRO  94  -4.580  -7.693   6.725
  508    HB2  PRO  94           2HB      PRO  94  -3.794  -6.161   8.907
  509    HB3  PRO  94           3HB      PRO  94  -5.164  -7.312   8.938
  510    HG2  PRO  94           2HG      PRO  94  -2.285  -7.833   9.764
  511    HG3  PRO  94           3HG      PRO  94  -3.778  -8.110  10.727
  512    HD2  PRO  94           2HD      PRO  94  -2.567 -10.072   9.335
  513    HD3  PRO  94           3HD      PRO  94  -4.354  -9.963   9.342
  514    H    LEU  95           H        LEU  95  -4.084  -5.594   6.431
  515    HA   LEU  95           HA       LEU  95  -1.574  -5.068   4.996
  516    HG   LEU  95           HG       LEU  95  -2.890  -4.632   2.599
  517    HB2  LEU  95           2HB      LEU  95  -4.496  -4.235   5.080
  518    HB3  LEU  95           3HB      LEU  95  -3.363  -3.175   4.306
  519   HD11  LEU  95          1HD1      LEU  95  -4.098  -7.025   3.847
  520   HD12  LEU  95          2HD1      LEU  95  -3.217  -6.790   2.284
  521   HD13  LEU  95          3HD1      LEU  95  -2.359  -6.640   3.797
  522   HD21  LEU  95          3HD2      LEU  95  -4.919  -5.506   1.629
  523   HD22  LEU  95          1HD2      LEU  95  -5.753  -5.299   3.189
  524   HD23  LEU  95          2HD2      LEU  95  -5.161  -3.864   2.299
  525    H    GLU  96           H        GLU  96  -0.275  -3.303   5.278
  526    HA   GLU  96           HA       GLU  96  -0.918  -1.413   7.516
  527    HB2  GLU  96           2HB      GLU  96   0.947  -3.114   7.862
  528    HB3  GLU  96           3HB      GLU  96   1.898  -2.188   6.712
  529    HG2  GLU  96           2HG      GLU  96   1.385  -0.131   8.176
  530    HG3  GLU  96           3HG      GLU  96   0.850  -1.287   9.394
  531    H    VAL  97           H        VAL  97  -2.039  -0.834   5.383
  532    HA   VAL  97           HA       VAL  97  -0.791   0.758   3.322
  533    HB   VAL  97           HB       VAL  97  -3.559   0.731   4.608
  534   HG11  VAL  97          1HG1      VAL  97  -4.436   1.815   2.598
  535   HG12  VAL  97          2HG1      VAL  97  -3.359   2.908   3.469
  536   HG13  VAL  97          3HG1      VAL  97  -2.818   2.080   1.986
  537   HG21  VAL  97          3HG2      VAL  97  -4.218  -0.421   2.462
  538   HG22  VAL  97          1HG2      VAL  97  -2.534  -0.391   1.944
  539   HG23  VAL  97          2HG2      VAL  97  -3.020  -1.331   3.369
  540    H    VAL  98           H        VAL  98   0.568   2.529   4.110
  541    HA   VAL  98           HA       VAL  98  -0.820   4.387   5.964
  542    HB   VAL  98           HB       VAL  98   0.202   2.147   6.946
  543   HG11  VAL  98          1HG1      VAL  98   2.210   1.983   7.869
  544   HG12  VAL  98          2HG1      VAL  98   2.534   2.399   6.193
  545   HG13  VAL  98          3HG1      VAL  98   2.716   3.611   7.521
  546   HG21  VAL  98          3HG2      VAL  98   0.191   3.150   9.080
  547   HG22  VAL  98          1HG2      VAL  98   0.114   4.767   8.308
  548   HG23  VAL  98          2HG2      VAL  98  -1.170   3.544   8.002
  549    H    TYR  99           H        TYR  99   2.169   4.884   6.693
  550    HA   TYR  99           HA       TYR  99   2.825   6.814   4.520
  551    HD1  TYR  99           HD1      TYR  99   0.995   8.035   4.883
  552    HD2  TYR  99           HD2      TYR  99   2.155   8.128   9.037
  553    HE1  TYR  99           HE1      TYR  99  -1.153   9.117   5.455
  554    HE2  TYR  99           HE2      TYR  99  -0.025   9.163   9.616
  555    HH   TYR  99           HH       TYR  99  -2.032   9.949   8.830
  556    HB2  TYR  99           2HB      TYR  99   3.453   6.880   7.477
  557    HB3  TYR  99           3HB      TYR  99   3.801   8.173   6.348
  558    H    SER 100           H        SER 100   3.452   3.914   4.813
  559    HA   SER 100           HA       SER 100   5.199   2.507   5.613
  560    HG   SER 100           HG       SER 100   7.263   1.837   3.621
  561    HB2  SER 100           2HB      SER 100   4.419   2.146   3.348
  562    HB3  SER 100           3HB      SER 100   5.732   3.142   2.789
  563    H    LYS 101           H        LYS 101   6.401   4.392   7.085
  564    HA   LYS 101           HA       LYS 101   9.229   3.857   6.655
  565    HB2  LYS 101           2HB      LYS 101   8.407   6.090   5.281
  566    HB3  LYS 101           3HB      LYS 101   8.736   6.817   6.841
  567    HG2  LYS 101           2HG      LYS 101  11.064   5.769   6.744
  568    HG3  LYS 101           3HG      LYS 101  10.636   5.166   5.146
  569    HD2  LYS 101           2HD      LYS 101  11.730   7.041   4.517
  570    HD3  LYS 101           3HD      LYS 101  10.116   7.723   4.617
  571    HE2  LYS 101           2HE      LYS 101  12.321   7.913   6.748
  572    HE3  LYS 101           3HE      LYS 101  11.900   9.159   5.569
  573    HZ1  LYS 101           3HZ      LYS 101  10.255   8.287   7.876
  574    HZ2  LYS 101           1HZ      LYS 101  10.806   9.793   7.506
  575    HZ3  LYS 101           2HZ      LYS 101   9.625   9.132   6.603
  576    H    LEU 102           H        LEU 102  10.602   4.841   8.385
  577    HA   LEU 102           HA       LEU 102   9.324   4.812  11.018
  578    HG   LEU 102           HG       LEU 102  12.480   6.773  11.022
  579    HB2  LEU 102           2HB      LEU 102  11.443   4.697  11.890
  580    HB3  LEU 102           3HB      LEU 102  11.666   3.900  10.364
  581   HD11  LEU 102          1HD1      LEU 102  14.154   4.264  10.630
  582   HD12  LEU 102          2HD1      LEU 102  14.766   5.903  10.949
  583   HD13  LEU 102          3HD1      LEU 102  13.815   5.062  12.181
  584   HD21  LEU 102          3HD2      LEU 102  13.012   5.115   8.519
  585   HD22  LEU 102          1HD2      LEU 102  12.050   6.613   8.625
  586   HD23  LEU 102          2HD2      LEU 102  13.786   6.666   8.905
  587    HA   PRO 103           HA       PRO 103   8.884   9.300  11.488
  588    HB2  PRO 103           2HB      PRO 103   9.680   9.793  14.062
  589    HB3  PRO 103           3HB      PRO 103   8.121   9.040  13.616
  590    HG2  PRO 103           2HG      PRO 103  10.674   7.650  14.471
  591    HG3  PRO 103           3HG      PRO 103   9.003   7.360  15.051
  592    HD2  PRO 103           2HD      PRO 103  10.134   5.795  13.164
  593    HD3  PRO 103           3HD      PRO 103   8.409   6.240  13.054
  594    H    ALA 104           H        ALA 104  10.199  10.259  10.156
  595    HA   ALA 104           HA       ALA 104  12.733  11.410  10.890
  596    HB1  ALA 104           1HB      ALA 104  14.067  10.334   9.062
  597    HB2  ALA 104           2HB      ALA 104  13.617   9.183  10.334
  598    HB3  ALA 104           3HB      ALA 104  12.743   9.185   8.792
  Start of MODEL   12
    1    H    GLU  28           H        GLU  28   8.700  14.549  11.420
    2    HA   GLU  28           HA       GLU  28   6.810  13.999  10.104
    3    HB2  GLU  28           2HB      GLU  28   9.148  14.236   8.177
    4    HB3  GLU  28           3HB      GLU  28   7.495  14.797   7.961
    5    HG2  GLU  28           2HG      GLU  28   9.665  15.995   9.704
    6    HG3  GLU  28           3HG      GLU  28   8.835  16.716   8.331
    7    H    LEU  29           H        LEU  29   6.262  12.955   7.845
    8    HA   LEU  29           HA       LEU  29   7.346  10.228   7.499
    9    HG   LEU  29           HG       LEU  29   4.378   8.379   8.739
   10    HB2  LEU  29           2HB      LEU  29   4.908  10.742   8.919
   11    HB3  LEU  29           3HB      LEU  29   4.409  10.269   7.327
   12   HD11  LEU  29          1HD1      LEU  29   6.946   7.795   7.242
   13   HD12  LEU  29          2HD1      LEU  29   5.513   6.773   7.533
   14   HD13  LEU  29          3HD1      LEU  29   5.435   8.074   6.373
   15   HD21  LEU  29          3HD2      LEU  29   5.964   9.140  10.453
   16   HD22  LEU  29          1HD2      LEU  29   6.273   7.472   9.931
   17   HD23  LEU  29          2HD2      LEU  29   7.316   8.790   9.355
   18    H    SER  30           H        SER  30   6.545   9.269   5.454
   19    HA   SER  30           HA       SER  30   6.658  10.977   3.208
   20    HG   SER  30           HG       SER  30   7.725   7.486   3.246
   21    HB2  SER  30           2HB      SER  30   5.581   8.134   3.317
   22    HB3  SER  30           3HB      SER  30   6.370   8.943   1.948
   23    H    ASN  31           H        ASN  31   3.958  10.283   5.128
   24    HA   ASN  31           HA       ASN  31   1.747  10.467   5.051
   25    HB2  ASN  31           2HB      ASN  31   2.235  12.826   3.286
   26    HB3  ASN  31           3HB      ASN  31   0.928  12.593   4.432
   27   HD21  ASN  31          2HD2      ASN  31   3.306  14.594   4.196
   28   HD22  ASN  31          1HD2      ASN  31   3.970  14.563   5.818
   29    H    THR  32           H        THR  32   2.830   9.001   2.409
   30    HA   THR  32           HA       THR  32   0.227   9.026   0.934
   31    HB   THR  32           HB       THR  32   1.421   9.433  -1.144
   32    HG1  THR  32           1HG      THR  32   3.653  10.170   0.426
   33   HG21  THR  32          1HG2      THR  32   1.870  11.740  -1.005
   34   HG22  THR  32          2HG2      THR  32   0.474  11.378   0.019
   35   HG23  THR  32          3HG2      THR  32   2.072  11.688   0.747
   36    H    ARG  33           H        ARG  33   1.442   6.583   2.416
   37    HA   ARG  33           HA       ARG  33   2.050   4.929   0.008
   38    HE   ARG  33           HE       ARG  33   6.676   6.091  -1.274
   39    HB2  ARG  33           2HB      ARG  33   3.952   5.343   2.286
   40    HB3  ARG  33           3HB      ARG  33   3.985   3.921   1.219
   41    HG2  ARG  33           2HG      ARG  33   4.566   5.015  -0.596
   42    HG3  ARG  33           3HG      ARG  33   4.251   6.650   0.094
   43    HD2  ARG  33           2HD      ARG  33   6.209   6.647   1.323
   44    HD3  ARG  33           3HD      ARG  33   6.284   4.877   1.398
   45   HH11  ARG  33          1HH1      ARG  33   8.406   4.797   1.481
   46   HH12  ARG  33          2HH1      ARG  33   9.611   4.048   0.451
   47   HH21  ARG  33          2HH2      ARG  33   8.247   5.420  -2.413
   48   HH22  ARG  33          1HH2      ARG  33   9.673   4.623  -1.713
   49    H    LEU  34           H        LEU  34   1.313   3.041  -0.044
   50    HA   LEU  34           HA       LEU  34   0.008   2.052   2.388
   51    HG   LEU  34           HG       LEU  34  -2.674   2.571  -0.080
   52    HB2  LEU  34           2HB      LEU  34  -0.596   1.050  -0.312
   53    HB3  LEU  34           3HB      LEU  34  -1.574   0.996   1.116
   54   HD11  LEU  34          1HD1      LEU  34  -2.575   4.676   0.858
   55   HD12  LEU  34          2HD1      LEU  34  -1.814   3.693   2.108
   56   HD13  LEU  34          3HD1      LEU  34  -0.833   4.690   1.019
   57   HD21  LEU  34          3HD2      LEU  34  -1.178   4.439  -1.359
   58   HD22  LEU  34          1HD2      LEU  34  -0.091   3.073  -1.408
   59   HD23  LEU  34          2HD2      LEU  34  -1.717   2.902  -2.062
   60    H    PHE  35           H        PHE  35   1.157   0.766   3.555
   61    HA   PHE  35           HA       PHE  35   3.107  -1.031   2.254
   62    HD1  PHE  35           HD1      PHE  35   5.024  -2.258   3.185
   63    HD2  PHE  35           HD2      PHE  35   3.664  -0.542   6.902
   64    HE1  PHE  35           HE1      PHE  35   6.348  -3.936   4.448
   65    HE2  PHE  35           HE2      PHE  35   4.998  -2.221   8.163
   66    HZ   PHE  35           HZ       PHE  35   6.343  -3.919   6.934
   67    HB2  PHE  35           2HB      PHE  35   4.119   0.333   3.631
   68    HB3  PHE  35           3HB      PHE  35   2.995   0.507   4.822
   69    H    VAL  36           H        VAL  36   2.278  -2.848   1.688
   70    HA   VAL  36           HA       VAL  36   0.552  -4.347   3.605
   71    HB   VAL  36           HB       VAL  36  -0.990  -4.845   1.751
   72   HG11  VAL  36          1HG1      VAL  36  -0.713  -1.863   2.398
   73   HG12  VAL  36          2HG1      VAL  36  -2.180  -2.711   1.890
   74   HG13  VAL  36          3HG1      VAL  36  -1.442  -3.067   3.474
   75   HG21  VAL  36          3HG2      VAL  36   0.612  -4.007  -0.043
   76   HG22  VAL  36          1HG2      VAL  36  -1.085  -3.517  -0.154
   77   HG23  VAL  36          2HG2      VAL  36   0.148  -2.345   0.444
   78    H    ARG  37           H        ARG  37   0.989  -6.293   3.802
   79    HA   ARG  37           HA       ARG  37   2.725  -7.812   1.941
   80    HE   ARG  37           HE       ARG  37   1.385  -7.631   7.086
   81    HB2  ARG  37           2HB      ARG  37   4.441  -8.108   3.804
   82    HB3  ARG  37           3HB      ARG  37   4.314  -6.547   3.044
   83    HG2  ARG  37           2HG      ARG  37   4.653  -6.059   5.265
   84    HG3  ARG  37           3HG      ARG  37   2.964  -5.706   4.990
   85    HD2  ARG  37           2HD      ARG  37   3.164  -8.418   5.894
   86    HD3  ARG  37           3HD      ARG  37   4.180  -7.444   6.937
   87   HH11  ARG  37          1HH1      ARG  37   3.818  -5.121   7.439
   88   HH12  ARG  37          2HH1      ARG  37   2.771  -4.161   8.465
   89   HH21  ARG  37          1HH2      ARG  37   0.011  -6.131   8.092
   90   HH22  ARG  37          2HH2      ARG  37   0.767  -4.737   8.829
   91    HA   PRO  38           HA       PRO  38   0.422 -10.712   4.887
   92    HB2  PRO  38           2HB      PRO  38  -2.065 -11.181   3.783
   93    HB3  PRO  38           3HB      PRO  38  -1.814  -9.865   4.955
   94    HG2  PRO  38           2HG      PRO  38  -1.853  -9.593   1.990
   95    HG3  PRO  38           3HG      PRO  38  -2.724  -8.680   3.230
   96    HD2  PRO  38           2HD      PRO  38  -0.380  -7.753   2.197
   97    HD3  PRO  38           3HD      PRO  38  -0.705  -7.541   3.938
   98    H    PHE  39           H        PHE  39   0.088 -10.279   1.423
   99    HA   PHE  39           HA       PHE  39  -0.522 -12.942   0.701
  100    HD1  PHE  39           HD2      PHE  39   1.451  -9.332  -0.453
  101    HD2  PHE  39           HD1      PHE  39  -2.768 -10.195  -0.687
  102    HE1  PHE  39           HE2      PHE  39   0.938  -6.907  -0.310
  103    HE2  PHE  39           HE1      PHE  39  -3.273  -7.786  -0.455
  104    HZ   PHE  39           HZ       PHE  39  -1.427  -6.127  -0.324
  105    HB2  PHE  39           2HB      PHE  39   0.489 -11.484  -1.535
  106    HB3  PHE  39           3HB      PHE  39  -1.158 -11.930  -1.153
  107    HA   PRO  40           HA       PRO  40   3.587 -14.568  -0.363
  108    HB2  PRO  40           2HB      PRO  40   2.908 -16.524  -2.143
  109    HB3  PRO  40           3HB      PRO  40   2.507 -16.645  -0.406
  110    HG2  PRO  40           2HG      PRO  40   0.710 -15.683  -2.653
  111    HG3  PRO  40           3HG      PRO  40   0.346 -16.914  -1.408
  112    HD2  PRO  40           2HD      PRO  40  -0.416 -14.297  -1.194
  113    HD3  PRO  40           3HD      PRO  40   0.046 -15.264   0.236
  114    H    LEU  41           H        LEU  41   4.604 -15.207  -2.727
  115    HA   LEU  41           HA       LEU  41   5.107 -12.843  -4.164
  116    HG   LEU  41           HG       LEU  41   7.499 -13.712  -4.157
  117    HB2  LEU  41           2HB      LEU  41   5.394 -15.780  -4.937
  118    HB3  LEU  41           3HB      LEU  41   5.960 -14.455  -5.937
  119   HD11  LEU  41          1HD1      LEU  41   6.669 -16.290  -2.757
  120   HD12  LEU  41          2HD1      LEU  41   8.130 -15.357  -2.379
  121   HD13  LEU  41          3HD1      LEU  41   6.554 -14.631  -2.110
  122   HD21  LEU  41          3HD2      LEU  41   9.122 -15.523  -4.517
  123   HD22  LEU  41          1HD2      LEU  41   7.812 -16.609  -5.040
  124   HD23  LEU  41          2HD2      LEU  41   8.225 -15.176  -6.001
  125    H    ASP  42           H        ASP  42   2.362 -14.901  -4.497
  126    HA   ASP  42           HA       ASP  42   1.608 -14.531  -7.179
  127    HB2  ASP  42           2HB      ASP  42  -0.095 -14.977  -4.707
  128    HB3  ASP  42           3HB      ASP  42  -0.647 -15.167  -6.361
  129    H    VAL  43           H        VAL  43   1.328 -12.128  -4.575
  130    HA   VAL  43           HA       VAL  43  -0.781 -10.577  -5.817
  131    HB   VAL  43           HB       VAL  43  -0.212 -10.319  -3.467
  132   HG11  VAL  43          1HG1      VAL  43   2.321  -8.880  -4.374
  133   HG12  VAL  43          2HG1      VAL  43   1.705  -8.964  -2.731
  134   HG13  VAL  43          3HG1      VAL  43   2.249 -10.440  -3.522
  135   HG21  VAL  43          3HG2      VAL  43  -1.419  -8.519  -4.664
  136   HG22  VAL  43          1HG2      VAL  43  -0.448  -7.911  -3.317
  137   HG23  VAL  43          2HG2      VAL  43   0.124  -7.699  -4.983
  138    H    GLN  44           H        GLN  44  -0.719  -8.832  -7.210
  139    HA   GLN  44           HA       GLN  44   1.834  -7.938  -8.377
  140    HB2  GLN  44           2HB      GLN  44  -0.340  -8.691 -10.315
  141    HB3  GLN  44           3HB      GLN  44   1.350  -8.379 -10.621
  142    HG2  GLN  44           2HG      GLN  44   0.149 -10.886  -9.411
  143    HG3  GLN  44           3HG      GLN  44   0.733 -10.700 -11.045
  144   HE21  GLN  44          1HE2      GLN  44   1.510 -12.380  -8.600
  145   HE22  GLN  44          2HE2      GLN  44   3.247 -12.193  -8.468
  146    H    GLU  45           H        GLU  45   1.240  -6.125 -10.111
  147    HA   GLU  45           HA       GLU  45  -0.212  -4.118  -8.694
  148    HB2  GLU  45           2HB      GLU  45   0.267  -2.659 -10.395
  149    HB3  GLU  45           3HB      GLU  45   1.665  -3.709 -10.281
  150    HG2  GLU  45           2HG      GLU  45  -0.584  -3.885 -12.321
  151    HG3  GLU  45           3HG      GLU  45   0.986  -3.127 -12.591
  152    H    SER  46           H        SER  46  -1.486  -6.565 -10.864
  153    HA   SER  46           HA       SER  46  -4.004  -5.282 -11.431
  154    HG   SER  46           HG       SER  46  -2.758  -8.766 -10.781
  155    HB2  SER  46           2HB      SER  46  -4.661  -7.838 -11.647
  156    HB3  SER  46           3HB      SER  46  -3.671  -7.006 -12.848
  157    H    GLU  47           H        GLU  47  -2.790  -7.080  -8.576
  158    HA   GLU  47           HA       GLU  47  -5.463  -7.636  -7.465
  159    HB2  GLU  47           2HB      GLU  47  -2.528  -8.227  -6.856
  160    HB3  GLU  47           3HB      GLU  47  -3.725  -8.392  -5.617
  161    HG2  GLU  47           2HG      GLU  47  -3.270 -10.525  -6.695
  162    HG3  GLU  47           3HG      GLU  47  -4.953 -10.037  -6.935
  163    H    LEU  48           H        LEU  48  -2.543  -5.636  -7.074
  164    HA   LEU  48           HA       LEU  48  -3.560  -4.048  -4.888
  165    HG   LEU  48           HG       LEU  48  -1.166  -5.631  -5.297
  166    HB2  LEU  48           2HB      LEU  48  -1.439  -3.428  -6.934
  167    HB3  LEU  48           3HB      LEU  48  -1.675  -2.649  -5.504
  168   HD11  LEU  48          1HD1      LEU  48   0.499  -4.818  -6.873
  169   HD12  LEU  48          2HD1      LEU  48   0.995  -3.548  -5.744
  170   HD13  LEU  48          3HD1      LEU  48   1.223  -5.269  -5.339
  171   HD21  LEU  48          3HD2      LEU  48  -0.166  -3.208  -3.803
  172   HD22  LEU  48          1HD2      LEU  48  -1.502  -4.333  -3.265
  173   HD23  LEU  48          2HD2      LEU  48   0.148  -4.948  -3.416
  174    H    ASN  49           H        ASN  49  -3.822  -3.885  -8.447
  175    HA   ASN  49           HA       ASN  49  -5.307  -1.399  -8.554
  176    HB2  ASN  49           2HB      ASN  49  -4.897  -3.644 -10.433
  177    HB3  ASN  49           3HB      ASN  49  -6.449  -2.857 -10.586
  178   HD21  ASN  49          2HD2      ASN  49  -2.958  -2.260 -10.604
  179   HD22  ASN  49          1HD2      ASN  49  -3.064  -0.801 -11.594
  180    H    GLU  50           H        GLU  50  -6.538  -4.747  -8.065
  181    HA   GLU  50           HA       GLU  50  -9.260  -3.917  -7.633
  182    HB2  GLU  50           2HB      GLU  50  -7.608  -6.313  -6.991
  183    HB3  GLU  50           3HB      GLU  50  -9.036  -6.055  -5.980
  184    HG2  GLU  50           2HG      GLU  50 -10.365  -5.768  -8.153
  185    HG3  GLU  50           3HG      GLU  50  -8.935  -6.353  -9.011
  186    H    ILE  51           H        ILE  51  -6.483  -3.889  -5.412
  187    HA   ILE  51           HA       ILE  51  -8.171  -3.338  -3.080
  188    HB   ILE  51           HB       ILE  51  -5.220  -3.470  -3.599
  189   HG12  ILE  51          2HG1      ILE  51  -6.958  -5.324  -1.893
  190   HG13  ILE  51          3HG1      ILE  51  -6.687  -5.604  -3.602
  191   HG21  ILE  51          1HG2      ILE  51  -4.871  -3.450  -1.110
  192   HG22  ILE  51          2HG2      ILE  51  -5.513  -1.928  -1.696
  193   HG23  ILE  51          3HG2      ILE  51  -6.601  -3.093  -0.903
  194   HD11  ILE  51          3HD1      ILE  51  -4.201  -5.692  -3.168
  195   HD12  ILE  51          1HD1      ILE  51  -4.567  -5.645  -1.422
  196   HD13  ILE  51          2HD1      ILE  51  -5.147  -6.987  -2.413
  197    H    PHE  52           H        PHE  52  -5.963  -1.377  -5.088
  198    HA   PHE  52           HA       PHE  52  -6.456   0.999  -3.431
  199    HD1  PHE  52           HD1      PHE  52  -4.653   1.570  -1.800
  200    HD2  PHE  52           HD2      PHE  52  -2.968  -1.174  -4.642
  201    HE1  PHE  52           HE1      PHE  52  -3.528   0.350   0.029
  202    HE2  PHE  52           HE2      PHE  52  -1.787  -2.317  -2.800
  203    HZ   PHE  52           HZ       PHE  52  -2.037  -1.633  -0.555
  204    HB2  PHE  52           2HB      PHE  52  -4.334   0.415  -5.381
  205    HB3  PHE  52           3HB      PHE  52  -4.468   1.933  -4.478
  206    H    GLY  53           H        GLY  53  -7.103  -0.162  -6.661
  207    HA2  GLY  53           2HA      GLY  53  -7.574   2.196  -8.144
  208    HA3  GLY  53           3HA      GLY  53  -8.414   0.656  -8.330
  209    HA   PRO  54           HA       PRO  54 -12.046   2.293  -6.169
  210    HB2  PRO  54           2HB      PRO  54 -11.310   1.637  -3.330
  211    HB3  PRO  54           3HB      PRO  54 -12.830   1.298  -4.210
  212    HG2  PRO  54           2HG      PRO  54 -11.049  -0.689  -3.772
  213    HG3  PRO  54           3HG      PRO  54 -11.811  -0.534  -5.389
  214    HD2  PRO  54           2HD      PRO  54  -9.147   0.553  -4.464
  215    HD3  PRO  54           3HD      PRO  54  -9.439  -0.489  -5.874
  216    H    PHE  55           H        PHE  55  -9.009   3.255  -4.632
  217    HA   PHE  55           HA       PHE  55 -10.133   5.709  -3.405
  218    HD1  PHE  55           HD2      PHE  55 -10.383   4.236  -1.717
  219    HD2  PHE  55           HD1      PHE  55  -6.328   3.050  -2.579
  220    HE1  PHE  55           HE2      PHE  55 -10.799   2.044  -0.645
  221    HE2  PHE  55           HE1      PHE  55  -6.682   0.983  -1.162
  222    HZ   PHE  55           HZ       PHE  55  -8.936   0.451  -0.317
  223    HB2  PHE  55           2HB      PHE  55  -7.227   4.894  -3.564
  224    HB3  PHE  55           3HB      PHE  55  -8.001   5.943  -2.424
  225    H    GLY  56           H        GLY  56  -7.790   4.762  -5.924
  226    HA2  GLY  56           2HA      GLY  56  -8.333   5.855  -8.030
  227    HA3  GLY  56           3HA      GLY  56  -8.259   7.405  -7.198
  228    HA   PRO  57           HA       PRO  57  -4.328   8.006  -8.625
  229    HB2  PRO  57           2HB      PRO  57  -3.124   9.713  -6.928
  230    HB3  PRO  57           3HB      PRO  57  -4.745  10.041  -7.589
  231    HG2  PRO  57           2HG      PRO  57  -4.060   8.758  -4.938
  232    HG3  PRO  57           3HG      PRO  57  -5.128  10.180  -5.235
  233    HD2  PRO  57           2HD      PRO  57  -6.071   7.598  -4.990
  234    HD3  PRO  57           3HD      PRO  57  -6.867   8.823  -6.014
  235    H    MET  58           H        MET  58  -4.147   5.362  -7.552
  236    HA   MET  58           HA       MET  58  -1.600   4.664  -6.312
  237    HB2  MET  58           2HB      MET  58  -1.807   2.639  -7.692
  238    HB3  MET  58           3HB      MET  58  -3.024   2.930  -6.453
  239    HG2  MET  58           2HG      MET  58  -4.736   3.145  -7.913
  240    HG3  MET  58           3HG      MET  58  -3.741   3.871  -9.195
  241    HE1  MET  58           3HE      MET  58  -4.646   0.432  -7.403
  242    HE2  MET  58           1HE      MET  58  -3.393  -0.603  -8.157
  243    HE3  MET  58           2HE      MET  58  -2.923   0.738  -7.119
  244    H    LYS  59           H        LYS  59  -0.041   5.968  -6.873
  245    HA   LYS  59           HA       LYS  59   0.685   6.434  -9.706
  246    HB2  LYS  59           2HB      LYS  59   0.015   8.285  -8.476
  247    HB3  LYS  59           3HB      LYS  59   0.891   7.817  -7.037
  248    HG2  LYS  59           2HG      LYS  59   2.284   8.793  -9.532
  249    HG3  LYS  59           3HG      LYS  59   1.591   9.800  -8.265
  250    HD2  LYS  59           2HD      LYS  59   3.906   7.881  -7.833
  251    HD3  LYS  59           3HD      LYS  59   3.859   9.650  -7.901
  252    HE2  LYS  59           2HE      LYS  59   2.185   9.575  -6.031
  253    HE3  LYS  59           3HE      LYS  59   2.771   7.927  -5.721
  254    HZ1  LYS  59           3HZ      LYS  59   4.972   8.830  -5.348
  255    HZ2  LYS  59           1HZ      LYS  59   4.517  10.345  -5.802
  256    HZ3  LYS  59           2HZ      LYS  59   3.914   9.694  -4.430
  257    H    GLU  60           H        GLU  60   1.956   4.905  -6.822
  258    HA   GLU  60           HA       GLU  60   3.919   3.598  -8.521
  259    HB2  GLU  60           2HB      GLU  60   4.849   5.626  -6.649
  260    HB3  GLU  60           3HB      GLU  60   5.463   4.033  -6.203
  261    HG2  GLU  60           2HG      GLU  60   5.721   5.412  -8.909
  262    HG3  GLU  60           3HG      GLU  60   6.959   5.289  -7.674
  263    H    VAL  61           H        VAL  61   4.890   1.799  -7.611
  264    HA   VAL  61           HA       VAL  61   3.222   0.231  -5.775
  265    HB   VAL  61           HB       VAL  61   3.265  -0.609  -8.722
  266   HG11  VAL  61          1HG1      VAL  61   1.170  -1.213  -6.609
  267   HG12  VAL  61          2HG1      VAL  61   1.483  -2.053  -8.147
  268   HG13  VAL  61          3HG1      VAL  61   2.645  -2.169  -6.804
  269   HG21  VAL  61          3HG2      VAL  61   1.001   1.052  -7.607
  270   HG22  VAL  61          1HG2      VAL  61   2.087   1.473  -8.946
  271   HG23  VAL  61          2HG2      VAL  61   0.977   0.116  -9.112
  272    H    LYS  62           H        LYS  62   5.468   0.305  -4.910
  273    HA   LYS  62           HA       LYS  62   7.491  -1.291  -6.345
  274    HB2  LYS  62           2HB      LYS  62   7.465  -0.799  -3.359
  275    HB3  LYS  62           3HB      LYS  62   8.795  -1.222  -4.401
  276    HG2  LYS  62           2HG      LYS  62   8.369   1.070  -5.585
  277    HG3  LYS  62           3HG      LYS  62   7.400   1.461  -4.159
  278    HD2  LYS  62           2HD      LYS  62  10.363   0.775  -4.289
  279    HD3  LYS  62           3HD      LYS  62   9.637   2.325  -3.845
  280    HE2  LYS  62           2HE      LYS  62   8.659   1.290  -1.813
  281    HE3  LYS  62           3HE      LYS  62   9.371  -0.280  -2.257
  282    HZ1  LYS  62           3HZ      LYS  62  10.941   2.205  -1.746
  283    HZ2  LYS  62           1HZ      LYS  62  10.730   1.034  -0.649
  284    HZ3  LYS  62           2HZ      LYS  62  11.566   0.712  -2.027
  285    H    ILE  63           H        ILE  63   7.463  -3.436  -6.439
  286    HA   ILE  63           HA       ILE  63   5.893  -4.994  -4.427
  287    HB   ILE  63           HB       ILE  63   5.927  -5.577  -7.397
  288   HG12  ILE  63          2HG1      ILE  63   3.765  -4.474  -5.537
  289   HG13  ILE  63          3HG1      ILE  63   4.557  -3.624  -6.863
  290   HG21  ILE  63          1HG2      ILE  63   4.294  -7.359  -6.801
  291   HG22  ILE  63          2HG2      ILE  63   5.826  -7.643  -6.001
  292   HG23  ILE  63          3HG2      ILE  63   4.473  -6.954  -5.082
  293   HD11  ILE  63          3HD1      ILE  63   2.421  -4.192  -7.642
  294   HD12  ILE  63          1HD1      ILE  63   3.539  -5.289  -8.475
  295   HD13  ILE  63          2HD1      ILE  63   2.552  -5.858  -7.091
  296    H    LEU  64           H        LEU  64   6.888  -6.432  -3.432
  297    HA   LEU  64           HA       LEU  64   9.575  -7.522  -4.186
  298    HG   LEU  64           HG       LEU  64   8.418  -5.125  -1.872
  299    HB2  LEU  64           2HB      LEU  64   8.729  -7.466  -1.402
  300    HB3  LEU  64           3HB      LEU  64  10.308  -7.483  -2.145
  301   HD11  LEU  64          1HD1      LEU  64  10.336  -4.308  -0.489
  302   HD12  LEU  64          2HD1      LEU  64   9.775  -5.907   0.075
  303   HD13  LEU  64          3HD1      LEU  64  11.218  -5.805  -0.954
  304   HD21  LEU  64          3HD2      LEU  64  10.201  -3.674  -2.650
  305   HD22  LEU  64          1HD2      LEU  64  11.129  -5.099  -3.214
  306   HD23  LEU  64          2HD2      LEU  64   9.568  -4.681  -3.954
  307    H    ASN  65           H        ASN  65   9.812  -9.626  -2.786
  308    HA   ASN  65           HA       ASN  65   8.283 -11.760  -3.653
  309    HB2  ASN  65           2HB      ASN  65   9.951 -11.546  -1.172
  310    HB3  ASN  65           3HB      ASN  65   9.684 -13.043  -2.069
  311   HD21  ASN  65          1HD2      ASN  65  12.080 -10.882  -1.522
  312   HD22  ASN  65          2HD2      ASN  65  12.905 -10.998  -3.071
  313    H    GLY  66           H        GLY  66   6.156 -10.393  -2.659
  314    HA2  GLY  66           2HA      GLY  66   4.261 -11.332  -1.466
  315    HA3  GLY  66           3HA      GLY  66   5.290 -11.697  -0.095
  316    H    PHE  67           H        PHE  67   6.169  -8.650  -1.535
  317    HA   PHE  67           HA       PHE  67   4.523  -7.210   0.550
  318    HD1  PHE  67           HD2      PHE  67   7.915  -9.198   0.160
  319    HD2  PHE  67           HD1      PHE  67   6.619  -6.642   3.384
  320    HE1  PHE  67           HE2      PHE  67   8.729 -10.857   1.797
  321    HE2  PHE  67           HE1      PHE  67   7.443  -8.302   5.021
  322    HZ   PHE  67           HZ       PHE  67   8.487 -10.422   4.238
  323    HB2  PHE  67           2HB      PHE  67   7.383  -6.553  -0.045
  324    HB3  PHE  67           3HB      PHE  67   6.360  -5.893   1.183
  325    H    ALA  68           H        ALA  68   3.866  -5.147   0.072
  326    HA   ALA  68           HA       ALA  68   4.528  -3.958  -2.575
  327    HB1  ALA  68           1HB      ALA  68   2.644  -5.245  -3.073
  328    HB2  ALA  68           2HB      ALA  68   1.800  -4.738  -1.610
  329    HB3  ALA  68           3HB      ALA  68   2.119  -3.557  -2.905
  330    H    PHE  69           H        PHE  69   4.827  -1.937  -2.536
  331    HA   PHE  69           HA       PHE  69   3.934  -0.252  -0.246
  332    HD1  PHE  69           HD1      PHE  69   6.791  -2.565  -1.505
  333    HD2  PHE  69           HD2      PHE  69   7.029   0.167   1.812
  334    HE1  PHE  69           HE1      PHE  69   7.823  -4.310  -0.114
  335    HE2  PHE  69           HE2      PHE  69   8.265  -1.552   3.117
  336    HZ   PHE  69           HZ       PHE  69   8.690  -3.824   2.074
  337    HB2  PHE  69           2HB      PHE  69   6.611   0.149  -1.631
  338    HB3  PHE  69           3HB      PHE  69   6.017   0.900  -0.174
  339    H    VAL  70           H        VAL  70   2.202   0.248  -1.385
  340    HA   VAL  70           HA       VAL  70   2.450   1.386  -4.090
  341    HB   VAL  70           HB       VAL  70  -0.132   1.157  -2.550
  342   HG11  VAL  70          1HG1      VAL  70  -0.119   2.243  -4.924
  343   HG12  VAL  70          2HG1      VAL  70   0.565   0.667  -5.479
  344   HG13  VAL  70          3HG1      VAL  70  -1.039   0.704  -4.790
  345   HG21  VAL  70          3HG2      VAL  70  -0.310  -0.989  -3.878
  346   HG22  VAL  70          1HG2      VAL  70   1.437  -0.825  -4.187
  347   HG23  VAL  70          2HG2      VAL  70   0.790  -1.044  -2.491
  348    H    GLU  71           H        GLU  71   1.796   3.602  -4.523
  349    HA   GLU  71           HA       GLU  71   2.293   5.447  -2.204
  350    HB2  GLU  71           2HB      GLU  71   4.422   4.517  -3.283
  351    HB3  GLU  71           3HB      GLU  71   3.890   5.293  -4.768
  352    HG2  GLU  71           2HG      GLU  71   3.872   7.504  -3.589
  353    HG3  GLU  71           3HG      GLU  71   4.500   6.721  -2.164
  354    H    PHE  72           H        PHE  72   1.551   7.512  -2.538
  355    HA   PHE  72           HA       PHE  72   0.145   8.128  -5.106
  356    HD1  PHE  72           HD1      PHE  72  -1.418   6.283  -4.979
  357    HD2  PHE  72           HD2      PHE  72  -2.220   7.527  -0.965
  358    HE1  PHE  72           HE1      PHE  72  -3.060   4.386  -4.698
  359    HE2  PHE  72           HE2      PHE  72  -3.874   5.704  -0.705
  360    HZ   PHE  72           HZ       PHE  72  -4.305   4.137  -2.587
  361    HB2  PHE  72           2HB      PHE  72  -0.766   8.793  -2.279
  362    HB3  PHE  72           3HB      PHE  72  -1.665   8.986  -3.774
  363    H    GLU  73           H        GLU  73  -0.652  10.296  -5.254
  364    HA   GLU  73           HA       GLU  73   1.674  12.074  -5.037
  365    HB2  GLU  73           2HB      GLU  73   0.668  13.296  -6.834
  366    HB3  GLU  73           3HB      GLU  73   0.674  11.568  -7.168
  367    HG2  GLU  73           2HG      GLU  73  -1.766  11.515  -6.384
  368    HG3  GLU  73           3HG      GLU  73  -1.707  13.276  -6.343
  369    H    GLU  74           H        GLU  74  -1.234  11.897  -3.208
  370    HA   GLU  74           HA       GLU  74  -0.786  14.551  -1.998
  371    HB2  GLU  74           2HB      GLU  74  -2.482  14.543  -4.128
  372    HB3  GLU  74           3HB      GLU  74  -3.612  13.984  -2.908
  373    HG2  GLU  74           2HG      GLU  74  -2.036  16.589  -2.970
  374    HG3  GLU  74           3HG      GLU  74  -3.778  16.371  -3.170
  375    H    ALA  75           H        ALA  75  -1.804  14.659   0.190
  376    HA   ALA  75           HA       ALA  75  -1.799  12.025   1.360
  377    HB1  ALA  75           1HB      ALA  75  -1.958  13.218   3.486
  378    HB2  ALA  75           2HB      ALA  75  -0.724  13.925   2.429
  379    HB3  ALA  75           3HB      ALA  75  -2.303  14.737   2.624
  380    H    GLU  76           H        GLU  76  -4.433  13.897   0.197
  381    HA   GLU  76           HA       GLU  76  -6.680  12.879   1.567
  382    HB2  GLU  76           2HB      GLU  76  -5.980  13.566  -1.311
  383    HB3  GLU  76           3HB      GLU  76  -7.541  12.851  -0.995
  384    HG2  GLU  76           2HG      GLU  76  -6.479  15.200   0.581
  385    HG3  GLU  76           3HG      GLU  76  -7.436  15.425  -0.907
  386    H    SER  77           H        SER  77  -4.797  11.377  -0.977
  387    HA   SER  77           HA       SER  77  -6.499   9.116  -1.460
  388    HG   SER  77           HG       SER  77  -3.127  10.575  -1.759
  389    HB2  SER  77           2HB      SER  77  -4.625   8.347  -2.780
  390    HB3  SER  77           3HB      SER  77  -4.892  10.085  -3.017
  391    H    ALA  78           H        ALA  78  -3.477   9.466   0.369
  392    HA   ALA  78           HA       ALA  78  -3.496   6.830   1.513
  393    HB1  ALA  78           1HB      ALA  78  -1.496   8.098   1.542
  394    HB2  ALA  78           2HB      ALA  78  -2.235   9.417   2.493
  395    HB3  ALA  78           3HB      ALA  78  -1.964   7.812   3.223
  396    H    ALA  79           H        ALA  79  -4.804   9.951   2.857
  397    HA   ALA  79           HA       ALA  79  -5.804   8.968   5.287
  398    HB1  ALA  79           1HB      ALA  79  -5.721  11.338   4.673
  399    HB2  ALA  79           2HB      ALA  79  -7.010  11.095   3.480
  400    HB3  ALA  79           3HB      ALA  79  -7.347  10.866   5.201
  401    H    LYS  80           H        LYS  80  -7.568   9.040   2.135
  402    HA   LYS  80           HA       LYS  80  -9.739   7.518   3.276
  403    HB2  LYS  80           2HB      LYS  80 -10.655   7.308   1.059
  404    HB3  LYS  80           3HB      LYS  80 -10.074   8.955   1.319
  405    HG2  LYS  80           2HG      LYS  80  -7.999   8.263  -0.001
  406    HG3  LYS  80           3HG      LYS  80  -8.807   6.722  -0.309
  407    HD2  LYS  80           2HD      LYS  80  -9.381   7.888  -2.227
  408    HD3  LYS  80           3HD      LYS  80 -10.762   8.301  -1.231
  409    HE2  LYS  80           2HE      LYS  80  -8.322  10.018  -1.904
  410    HE3  LYS  80           3HE      LYS  80  -9.966  10.233  -2.475
  411    HZ1  LYS  80           3HZ      LYS  80  -9.573  11.802  -0.697
  412    HZ2  LYS  80           1HZ      LYS  80 -10.613  10.696  -0.117
  413    HZ3  LYS  80           2HZ      LYS  80  -9.019  10.651   0.297
  414    H    ALA  81           H        ALA  81  -6.891   6.444   1.365
  415    HA   ALA  81           HA       ALA  81  -7.782   3.800   1.128
  416    HB1  ALA  81           1HB      ALA  81  -5.400   3.169   0.760
  417    HB2  ALA  81           2HB      ALA  81  -5.842   4.642  -0.102
  418    HB3  ALA  81           3HB      ALA  81  -4.893   4.744   1.394
  419    H    ILE  82           H        ILE  82  -5.930   5.341   3.778
  420    HA   ILE  82           HA       ILE  82  -5.659   3.216   5.559
  421    HB   ILE  82           HB       ILE  82  -6.205   6.124   6.182
  422   HG12  ILE  82          2HG1      ILE  82  -3.519   4.849   6.570
  423   HG13  ILE  82          3HG1      ILE  82  -3.965   5.253   4.930
  424   HG21  ILE  82          1HG2      ILE  82  -5.204   5.658   8.425
  425   HG22  ILE  82          2HG2      ILE  82  -6.730   4.820   8.189
  426   HG23  ILE  82          3HG2      ILE  82  -5.199   3.928   8.042
  427   HD11  ILE  82          3HD1      ILE  82  -4.471   7.564   5.692
  428   HD12  ILE  82          1HD1      ILE  82  -3.879   7.168   7.302
  429   HD13  ILE  82          2HD1      ILE  82  -2.767   7.121   5.907
  430    H    GLU  83           H        GLU  83  -8.332   5.651   5.544
  431    HA   GLU  83           HA       GLU  83  -9.928   4.342   7.477
  432    HB2  GLU  83           2HB      GLU  83 -10.682   6.177   5.194
  433    HB3  GLU  83           3HB      GLU  83 -11.805   5.687   6.461
  434    HG2  GLU  83           2HG      GLU  83  -9.135   7.011   7.148
  435    HG3  GLU  83           3HG      GLU  83 -10.561   7.933   6.701
  436    H    GLU  84           H        GLU  84  -9.692   3.709   4.030
  437    HA   GLU  84           HA       GLU  84 -12.131   2.126   3.791
  438    HB2  GLU  84           2HB      GLU  84  -9.716   2.576   2.004
  439    HB3  GLU  84           3HB      GLU  84 -11.077   1.573   1.535
  440    HG2  GLU  84           2HG      GLU  84 -11.599   4.431   2.345
  441    HG3  GLU  84           3HG      GLU  84 -10.890   4.096   0.761
  442    H    VAL  85           H        VAL  85  -8.630   1.316   4.035
  443    HA   VAL  85           HA       VAL  85  -9.349  -1.560   4.369
  444    HB   VAL  85           HB       VAL  85  -9.347  -1.020   2.035
  445   HG11  VAL  85          1HG1      VAL  85  -7.174  -0.665   0.822
  446   HG12  VAL  85          2HG1      VAL  85  -7.818   0.715   1.726
  447   HG13  VAL  85          3HG1      VAL  85  -6.476  -0.215   2.385
  448   HG21  VAL  85          3HG2      VAL  85  -8.811  -3.296   2.765
  449   HG22  VAL  85          1HG2      VAL  85  -8.096  -2.865   1.201
  450   HG23  VAL  85          2HG2      VAL  85  -7.087  -2.891   2.660
  451    H    HIS  86           H        HIS  86  -7.446   0.833   5.704
  452    HA   HIS  86           HA       HIS  86  -5.164  -0.883   6.425
  453    HD1  HIS  86           HD1      HIS  86  -2.726   1.887   7.269
  454    HD2  HIS  86           HD2      HIS  86  -5.132  -0.020  10.130
  455    HE1  HIS  86           HE1      HIS  86  -1.217   1.435   9.294
  456    HB2  HIS  86           2HB      HIS  86  -5.142   1.615   6.539
  457    HB3  HIS  86           3HB      HIS  86  -6.246   1.553   7.902
  458    H    GLY  87           H        GLY  87  -5.246  -2.531   7.823
  459    HA2  GLY  87           2HA      GLY  87  -5.377  -3.395  10.028
  460    HA3  GLY  87           3HA      GLY  87  -6.686  -2.277  10.413
  461    H    LYS  88           H        LYS  88  -7.578  -3.189   7.545
  462    HA   LYS  88           HA       LYS  88  -9.419  -5.356   8.190
  463    HB2  LYS  88           2HB      LYS  88  -8.770  -3.499   5.907
  464    HB3  LYS  88           3HB      LYS  88  -9.581  -4.963   5.554
  465    HG2  LYS  88           2HG      LYS  88 -11.287  -3.305   5.854
  466    HG3  LYS  88           3HG      LYS  88 -11.358  -4.362   7.254
  467    HD2  LYS  88           2HD      LYS  88 -11.613  -2.312   8.262
  468    HD3  LYS  88           3HD      LYS  88  -9.865  -2.468   8.406
  469    HE2  LYS  88           2HE      LYS  88  -9.659  -1.142   6.261
  470    HE3  LYS  88           3HE      LYS  88 -11.413  -0.917   6.288
  471    HZ1  LYS  88           3HZ      LYS  88 -11.077   0.160   8.512
  472    HZ2  LYS  88           1HZ      LYS  88  -9.451   0.073   8.278
  473    HZ3  LYS  88           2HZ      LYS  88 -10.395   0.987   7.283
  474    H    SER  89           H        SER  89  -9.231  -7.340   7.570
  475    HA   SER  89           HA       SER  89  -6.526  -8.420   7.235
  476    HG   SER  89           HG       SER  89  -9.777 -10.038   7.043
  477    HB2  SER  89           2HB      SER  89  -7.660 -10.601   7.701
  478    HB3  SER  89           3HB      SER  89  -7.791  -9.371   8.970
  479    H    PHE  90           H        PHE  90  -5.678  -8.571   5.184
  480    HA   PHE  90           HA       PHE  90  -7.458  -9.748   3.040
  481    HD1  PHE  90           HD2      PHE  90  -4.568 -10.139   0.821
  482    HD2  PHE  90           HD1      PHE  90  -7.750  -7.236   1.030
  483    HE1  PHE  90           HE2      PHE  90  -5.179 -10.640  -1.536
  484    HE2  PHE  90           HE1      PHE  90  -8.319  -7.693  -1.343
  485    HZ   PHE  90           HZ       PHE  90  -7.093  -9.457  -2.577
  486    HB2  PHE  90           2HB      PHE  90  -6.265  -7.495   2.821
  487    HB3  PHE  90           3HB      PHE  90  -4.796  -8.439   2.764
  488    H    ALA  91           H        ALA  91  -6.824 -11.601   2.054
  489    HA   ALA  91           HA       ALA  91  -6.102 -13.697   1.828
  490    HB1  ALA  91           1HB      ALA  91  -3.697 -14.010   1.544
  491    HB2  ALA  91           2HB      ALA  91  -4.231 -12.490   0.804
  492    HB3  ALA  91           3HB      ALA  91  -3.370 -12.470   2.358
  493    H    ASN  92           H        ASN  92  -4.139 -12.597   4.628
  494    HA   ASN  92           HA       ASN  92  -5.149 -14.697   6.379
  495    HB2  ASN  92           2HB      ASN  92  -2.751 -15.609   6.706
  496    HB3  ASN  92           3HB      ASN  92  -3.621 -16.093   5.262
  497   HD21  ASN  92          2HD2      ASN  92  -1.007 -13.925   6.415
  498   HD22  ASN  92          1HD2      ASN  92  -0.324 -13.725   4.791
  499    H    GLN  93           H        GLN  93  -3.940 -11.522   6.005
  500    HA   GLN  93           HA       GLN  93  -3.995 -11.105   8.860
  501    HB2  GLN  93           2HB      GLN  93  -1.735 -10.379   9.230
  502    HB3  GLN  93           3HB      GLN  93  -1.716 -12.047   8.725
  503    HG2  GLN  93           2HG      GLN  93  -0.987 -11.394   6.502
  504    HG3  GLN  93           3HG      GLN  93  -1.159  -9.668   6.935
  505   HE21  GLN  93          1HE2      GLN  93   0.683 -12.566   8.203
  506   HE22  GLN  93          2HE2      GLN  93   2.093 -11.576   8.538
  507    HA   PRO  94           HA       PRO  94  -4.969  -7.144   7.394
  508    HB2  PRO  94           2HB      PRO  94  -4.285  -5.371   9.438
  509    HB3  PRO  94           3HB      PRO  94  -5.650  -6.524   9.532
  510    HG2  PRO  94           2HG      PRO  94  -2.813  -6.917  10.546
  511    HG3  PRO  94           3HG      PRO  94  -4.351  -7.165  11.442
  512    HD2  PRO  94           2HD      PRO  94  -3.049  -9.213  10.313
  513    HD3  PRO  94           3HD      PRO  94  -4.826  -9.123  10.172
  514    H    LEU  95           H        LEU  95  -4.575  -5.344   6.549
  515    HA   LEU  95           HA       LEU  95  -1.997  -4.774   5.316
  516    HG   LEU  95           HG       LEU  95  -3.134  -4.566   2.817
  517    HB2  LEU  95           2HB      LEU  95  -4.932  -4.038   5.145
  518    HB3  LEU  95           3HB      LEU  95  -3.796  -2.994   4.369
  519   HD11  LEU  95          1HD1      LEU  95  -2.522  -6.405   4.176
  520   HD12  LEU  95          2HD1      LEU  95  -4.238  -6.868   4.299
  521   HD13  LEU  95          3HD1      LEU  95  -3.375  -6.782   2.704
  522   HD21  LEU  95          3HD2      LEU  95  -6.031  -5.162   3.313
  523   HD22  LEU  95          1HD2      LEU  95  -5.305  -3.968   2.186
  524   HD23  LEU  95          2HD2      LEU  95  -5.112  -5.697   1.884
  525    H    GLU  96           H        GLU  96  -0.729  -3.042   5.494
  526    HA   GLU  96           HA       GLU  96  -1.333  -1.087   7.679
  527    HB2  GLU  96           2HB      GLU  96   0.380  -2.839   8.070
  528    HB3  GLU  96           3HB      GLU  96   1.414  -2.088   6.861
  529    HG2  GLU  96           2HG      GLU  96   1.428  -0.001   8.122
  530    HG3  GLU  96           3HG      GLU  96   0.342  -0.698   9.344
  531    H    VAL  97           H        VAL  97  -2.510  -0.546   5.624
  532    HA   VAL  97           HA       VAL  97  -1.274   0.837   3.440
  533    HB   VAL  97           HB       VAL  97  -4.038   0.844   4.740
  534   HG11  VAL  97          1HG1      VAL  97  -5.030   1.677   2.639
  535   HG12  VAL  97          2HG1      VAL  97  -4.002   2.888   3.423
  536   HG13  VAL  97          3HG1      VAL  97  -3.426   1.992   1.993
  537   HG21  VAL  97          3HG2      VAL  97  -4.685  -0.837   3.215
  538   HG22  VAL  97          1HG2      VAL  97  -3.395  -0.429   2.052
  539   HG23  VAL  97          2HG2      VAL  97  -3.023  -1.258   3.547
  540    H    VAL  98           H        VAL  98  -0.019   2.689   3.989
  541    HA   VAL  98           HA       VAL  98  -1.397   4.661   5.748
  542    HB   VAL  98           HB       VAL  98  -0.403   2.514   6.920
  543   HG11  VAL  98          1HG1      VAL  98   2.142   3.978   7.353
  544   HG12  VAL  98          2HG1      VAL  98   1.602   2.396   7.858
  545   HG13  VAL  98          3HG1      VAL  98   1.926   2.651   6.149
  546   HG21  VAL  98          3HG2      VAL  98  -1.716   4.015   7.894
  547   HG22  VAL  98          1HG2      VAL  98  -0.329   3.717   8.963
  548   HG23  VAL  98          2HG2      VAL  98  -0.418   5.250   8.037
  549    H    TYR  99           H        TYR  99   1.538   5.243   6.485
  550    HA   TYR  99           HA       TYR  99   2.270   6.977   4.165
  551    HD1  TYR  99           HD2      TYR  99   0.420   8.153   4.584
  552    HD2  TYR  99           HD1      TYR  99   2.001   8.841   8.542
  553    HE1  TYR  99           HE2      TYR  99  -1.504   9.575   5.081
  554    HE2  TYR  99           HE1      TYR  99  -0.004  10.211   9.078
  555    HH   TYR  99           HH       TYR  99  -2.602  10.824   6.691
  556    HB2  TYR  99           2HB      TYR  99   3.003   7.153   7.106
  557    HB3  TYR  99           3HB      TYR  99   3.379   8.339   5.861
  558    H    SER 100           H        SER 100   2.709   4.063   4.671
  559    HA   SER 100           HA       SER 100   4.102   2.480   5.246
  560    HG   SER 100           HG       SER 100   6.517   1.931   3.931
  561    HB2  SER 100           2HB      SER 100   3.921   2.418   2.937
  562    HB3  SER 100           3HB      SER 100   5.162   3.636   2.836
  563    H    LYS 101           H        LYS 101   5.265   4.955   6.695
  564    HA   LYS 101           HA       LYS 101   6.914   5.301   8.249
  565    HB2  LYS 101           2HB      LYS 101   7.192   2.287   8.063
  566    HB3  LYS 101           3HB      LYS 101   7.924   3.291   9.311
  567    HG2  LYS 101           2HG      LYS 101   5.772   4.046  10.109
  568    HG3  LYS 101           3HG      LYS 101   4.920   3.203   8.801
  569    HD2  LYS 101           2HD      LYS 101   5.605   1.041   9.632
  570    HD3  LYS 101           3HD      LYS 101   6.661   1.774  10.860
  571    HE2  LYS 101           2HE      LYS 101   4.763   2.737  12.028
  572    HE3  LYS 101           3HE      LYS 101   3.656   2.255  10.732
  573    HZ1  LYS 101           3HZ      LYS 101   4.024  -0.022  11.235
  574    HZ2  LYS 101           1HZ      LYS 101   5.167   0.304  12.373
  575    HZ3  LYS 101           2HZ      LYS 101   3.599   0.712  12.632
  576    H    LEU 102           H        LEU 102   7.854   4.847   5.196
  577    HA   LEU 102           HA       LEU 102  10.480   5.919   5.768
  578    HG   LEU 102           HG       LEU 102   9.523   2.328   5.430
  579    HB2  LEU 102           2HB      LEU 102  11.600   4.184   4.188
  580    HB3  LEU 102           3HB      LEU 102  11.369   3.841   5.881
  581   HD11  LEU 102          1HD1      LEU 102   8.500   3.273   3.413
  582   HD12  LEU 102          2HD1      LEU 102   9.991   2.963   2.490
  583   HD13  LEU 102          3HD1      LEU 102   9.004   1.617   3.098
  584   HD21  LEU 102          3HD2      LEU 102  11.842   1.495   5.386
  585   HD22  LEU 102          1HD2      LEU 102  10.792   0.577   4.300
  586   HD23  LEU 102          2HD2      LEU 102  11.915   1.785   3.635
  587    HA   PRO 103           HA       PRO 103   9.554   7.908   1.904
  588    HB2  PRO 103           2HB      PRO 103  11.783   9.361   1.478
  589    HB3  PRO 103           3HB      PRO 103  10.791   9.592   2.949
  590    HG2  PRO 103           2HG      PRO 103  13.313   7.913   2.663
  591    HG3  PRO 103           3HG      PRO 103  12.954   9.160   3.900
  592    HD2  PRO 103           2HD      PRO 103  12.525   6.485   4.338
  593    HD3  PRO 103           3HD      PRO 103  11.478   7.756   5.038
  594    H    ALA 104           H        ALA 104  12.329   5.739   1.947
  595    HA   ALA 104           HA       ALA 104  12.885   5.818  -0.915
  596    HB1  ALA 104           1HB      ALA 104  14.641   5.358   0.763
  597    HB2  ALA 104           2HB      ALA 104  13.770   3.895   1.281
  598    HB3  ALA 104           3HB      ALA 104  14.449   3.991  -0.345
  Start of MODEL   13
    1    H    GLU  28           H        GLU  28   1.992  14.910   9.440
    2    HA   GLU  28           HA       GLU  28   4.071  14.571   8.252
    3    HB2  GLU  28           2HB      GLU  28   5.540  14.193  10.294
    4    HB3  GLU  28           3HB      GLU  28   4.417  15.517  10.316
    5    HG2  GLU  28           2HG      GLU  28   4.624  14.304  12.478
    6    HG3  GLU  28           3HG      GLU  28   2.982  14.519  11.881
    7    H    LEU  29           H        LEU  29   6.022  12.663   9.441
    8    HA   LEU  29           HA       LEU  29   7.025  10.687   9.000
    9    HG   LEU  29           HG       LEU  29   4.896   7.526   9.195
   10    HB2  LEU  29           2HB      LEU  29   4.841   9.848  10.036
   11    HB3  LEU  29           3HB      LEU  29   4.280   9.547   8.417
   12   HD11  LEU  29          1HD1      LEU  29   6.625   6.608   7.880
   13   HD12  LEU  29          2HD1      LEU  29   5.961   7.943   6.942
   14   HD13  LEU  29          3HD1      LEU  29   7.505   8.152   7.791
   15   HD21  LEU  29          3HD2      LEU  29   6.127   8.240  11.199
   16   HD22  LEU  29          1HD2      LEU  29   6.987   6.947  10.347
   17   HD23  LEU  29          2HD2      LEU  29   7.547   8.630  10.197
   18    H    SER  30           H        SER  30   4.396  10.823   6.716
   19    HA   SER  30           HA       SER  30   5.883  11.630   4.431
   20    HG   SER  30           HG       SER  30   7.272   9.610   5.089
   21    HB2  SER  30           2HB      SER  30   5.064   8.663   4.409
   22    HB3  SER  30           3HB      SER  30   5.416   9.650   2.991
   23    H    ASN  31           H        ASN  31   2.985  10.505   5.976
   24    HA   ASN  31           HA       ASN  31   0.807  10.857   5.704
   25    HB2  ASN  31           2HB      ASN  31   1.125  12.813   3.475
   26    HB3  ASN  31           3HB      ASN  31  -0.087  12.733   4.723
   27   HD21  ASN  31          2HD2      ASN  31   3.000  13.987   3.819
   28   HD22  ASN  31          1HD2      ASN  31   3.184  15.010   5.240
   29    H    THR  32           H        THR  32   2.541   9.869   2.818
   30    HA   THR  32           HA       THR  32   0.008   8.931   1.615
   31    HB   THR  32           HB       THR  32   0.791   9.725  -0.531
   32    HG1  THR  32           1HG      THR  32   2.737  10.417  -0.827
   33   HG21  THR  32          1HG2      THR  32   1.209  12.018   1.368
   34   HG22  THR  32          2HG2      THR  32   0.637  12.034  -0.308
   35   HG23  THR  32          3HG2      THR  32  -0.389  11.335   0.960
   36    H    ARG  33           H        ARG  33   1.600   6.837   2.877
   37    HA   ARG  33           HA       ARG  33   2.403   5.369   0.391
   38    HE   ARG  33           HE       ARG  33   6.293   7.733  -0.624
   39    HB2  ARG  33           2HB      ARG  33   4.220   5.605   2.795
   40    HB3  ARG  33           3HB      ARG  33   4.338   4.434   1.542
   41    HG2  ARG  33           2HG      ARG  33   5.960   5.649   0.940
   42    HG3  ARG  33           3HG      ARG  33   4.680   6.130  -0.150
   43    HD2  ARG  33           2HD      ARG  33   4.414   8.244   1.205
   44    HD3  ARG  33           3HD      ARG  33   5.735   7.665   2.251
   45   HH11  ARG  33          2HH1      ARG  33   7.357   9.217   2.366
   46   HH12  ARG  33          1HH1      ARG  33   8.364  10.335   1.482
   47   HH21  ARG  33          2HH2      ARG  33   7.408   9.195  -1.613
   48   HH22  ARG  33          1HH2      ARG  33   8.536  10.196  -0.713
   49    H    LEU  34           H        LEU  34   1.838   3.320   0.330
   50    HA   LEU  34           HA       LEU  34   0.430   2.269   2.725
   51    HG   LEU  34           HG       LEU  34  -2.173   3.022   0.084
   52    HB2  LEU  34           2HB      LEU  34  -0.087   1.505  -0.056
   53    HB3  LEU  34           3HB      LEU  34  -1.159   1.335   1.281
   54   HD11  LEU  34          1HD1      LEU  34  -2.208   5.050   1.201
   55   HD12  LEU  34          2HD1      LEU  34  -1.719   3.901   2.438
   56   HD13  LEU  34          3HD1      LEU  34  -0.533   4.976   1.702
   57   HD21  LEU  34          3HD2      LEU  34   0.420   3.525  -1.006
   58   HD22  LEU  34          1HD2      LEU  34  -1.157   3.810  -1.684
   59   HD23  LEU  34          2HD2      LEU  34  -0.391   5.048  -0.660
   60    H    PHE  35           H        PHE  35   0.885   0.306   3.689
   61    HA   PHE  35           HA       PHE  35   3.129  -1.184   2.477
   62    HD1  PHE  35           HD2      PHE  35   4.768  -2.592   3.027
   63    HD2  PHE  35           HD1      PHE  35   4.007  -1.409   7.101
   64    HE1  PHE  35           HE2      PHE  35   6.336  -4.324   3.818
   65    HE2  PHE  35           HE1      PHE  35   5.606  -3.135   7.894
   66    HZ   PHE  35           HZ       PHE  35   6.769  -4.607   6.256
   67    HB2  PHE  35           2HB      PHE  35   4.051  -0.015   4.227
   68    HB3  PHE  35           3HB      PHE  35   2.891  -0.200   5.363
   69    H    VAL  36           H        VAL  36   2.517  -2.886   1.726
   70    HA   VAL  36           HA       VAL  36   0.063  -4.314   2.694
   71    HB   VAL  36           HB       VAL  36   0.931  -2.963   0.149
   72   HG11  VAL  36          1HG1      VAL  36  -1.417  -4.727   0.102
   73   HG12  VAL  36          2HG1      VAL  36  -0.859  -3.512  -1.081
   74   HG13  VAL  36          3HG1      VAL  36   0.156  -4.896  -0.790
   75   HG21  VAL  36          3HG2      VAL  36  -1.583  -2.107   0.442
   76   HG22  VAL  36          1HG2      VAL  36  -1.520  -2.865   2.011
   77   HG23  VAL  36          2HG2      VAL  36  -0.406  -1.522   1.602
   78    H    ARG  37           H        ARG  37   0.909  -6.033   3.478
   79    HA   ARG  37           HA       ARG  37   2.810  -7.735   1.952
   80    HE   ARG  37           HE       ARG  37   1.682  -7.717   7.695
   81    HB2  ARG  37           2HB      ARG  37   4.287  -7.771   3.940
   82    HB3  ARG  37           3HB      ARG  37   4.082  -6.194   3.230
   83    HG2  ARG  37           2HG      ARG  37   3.868  -5.530   5.363
   84    HG3  ARG  37           3HG      ARG  37   2.181  -5.920   5.114
   85    HD2  ARG  37           2HD      ARG  37   2.996  -8.320   5.945
   86    HD3  ARG  37           3HD      ARG  37   4.289  -7.386   6.692
   87   HH11  ARG  37          1HH1      ARG  37   3.868  -4.973   7.333
   88   HH12  ARG  37          2HH1      ARG  37   3.045  -4.051   8.570
   89   HH21  ARG  37          1HH2      ARG  37   0.651  -6.427   9.176
   90   HH22  ARG  37          2HH2      ARG  37   1.290  -4.836   9.555
   91    HA   PRO  38           HA       PRO  38   0.188 -10.615   4.927
   92    HB2  PRO  38           2HB      PRO  38  -1.927 -10.418   2.759
   93    HB3  PRO  38           3HB      PRO  38  -2.117 -10.875   4.464
   94    HG2  PRO  38           2HG      PRO  38  -2.779  -8.432   3.574
   95    HG3  PRO  38           3HG      PRO  38  -1.942  -8.573   5.133
   96    HD2  PRO  38           2HD      PRO  38  -0.802  -7.775   2.484
   97    HD3  PRO  38           3HD      PRO  38  -0.430  -7.168   4.127
   98    H    PHE  39           H        PHE  39   0.144 -10.167   1.446
   99    HA   PHE  39           HA       PHE  39  -0.143 -12.841   0.642
  100    HD1  PHE  39           HD1      PHE  39   1.271  -8.787  -0.097
  101    HD2  PHE  39           HD2      PHE  39  -2.443 -10.816  -1.083
  102    HE1  PHE  39           HE1      PHE  39   0.040  -6.727   0.150
  103    HE2  PHE  39           HE2      PHE  39  -3.616  -8.639  -1.015
  104    HZ   PHE  39           HZ       PHE  39  -2.410  -6.595  -0.387
  105    HB2  PHE  39           2HB      PHE  39   1.224 -11.036  -1.255
  106    HB3  PHE  39           3HB      PHE  39  -0.259 -11.947  -1.441
  107    HA   PRO  40           HA       PRO  40   4.243 -13.877   0.239
  108    HB2  PRO  40           2HB      PRO  40   3.769 -16.021  -1.685
  109    HB3  PRO  40           3HB      PRO  40   4.108 -16.179   0.047
  110    HG2  PRO  40           2HG      PRO  40   1.640 -16.780  -1.192
  111    HG3  PRO  40           3HG      PRO  40   1.903 -16.486   0.545
  112    HD2  PRO  40           2HD      PRO  40   0.901 -14.569  -1.544
  113    HD3  PRO  40           3HD      PRO  40   0.395 -14.784   0.159
  114    H    LEU  41           H        LEU  41   5.534 -14.693  -2.067
  115    HA   LEU  41           HA       LEU  41   6.004 -12.349  -3.519
  116    HG   LEU  41           HG       LEU  41   8.394 -13.051  -3.292
  117    HB2  LEU  41           2HB      LEU  41   6.513 -15.280  -4.189
  118    HB3  LEU  41           3HB      LEU  41   7.074 -13.950  -5.191
  119   HD11  LEU  41          1HD1      LEU  41   7.666 -15.689  -1.937
  120   HD12  LEU  41          2HD1      LEU  41   9.011 -14.638  -1.452
  121   HD13  LEU  41          3HD1      LEU  41   7.367 -14.044  -1.315
  122   HD21  LEU  41          3HD2      LEU  41  10.186 -14.716  -3.500
  123   HD22  LEU  41          1HD2      LEU  41   9.021 -15.913  -4.112
  124   HD23  LEU  41          2HD2      LEU  41   9.390 -14.452  -5.056
  125    H    ASP  42           H        ASP  42   3.315 -14.416  -3.962
  126    HA   ASP  42           HA       ASP  42   2.685 -14.242  -6.677
  127    HB2  ASP  42           2HB      ASP  42   0.835 -14.283  -4.270
  128    HB3  ASP  42           3HB      ASP  42   0.375 -14.674  -5.932
  129    H    VAL  43           H        VAL  43   2.149 -11.683  -4.196
  130    HA   VAL  43           HA       VAL  43   0.239 -10.216  -5.811
  131    HB   VAL  43           HB       VAL  43   0.363  -9.959  -3.378
  132   HG11  VAL  43          1HG1      VAL  43   2.007  -8.499  -2.305
  133   HG12  VAL  43          2HG1      VAL  43   2.818  -9.892  -3.030
  134   HG13  VAL  43          3HG1      VAL  43   2.885  -8.301  -3.822
  135   HG21  VAL  43          3HG2      VAL  43  -0.081  -7.577  -3.300
  136   HG22  VAL  43          1HG2      VAL  43   0.760  -7.306  -4.830
  137   HG23  VAL  43          2HG2      VAL  43  -0.746  -8.244  -4.792
  138    H    GLN  44           H        GLN  44   0.469  -8.434  -7.131
  139    HA   GLN  44           HA       GLN  44   3.155  -7.453  -7.854
  140    HB2  GLN  44           2HB      GLN  44   1.344  -8.284 -10.113
  141    HB3  GLN  44           3HB      GLN  44   3.046  -7.883 -10.162
  142    HG2  GLN  44           2HG      GLN  44   1.800 -10.466  -9.190
  143    HG3  GLN  44           3HG      GLN  44   2.652 -10.210 -10.699
  144   HE21  GLN  44          2HE2      GLN  44   3.029 -11.907  -8.169
  145   HE22  GLN  44          1HE2      GLN  44   4.700 -11.678  -7.728
  146    H    GLU  45           H        GLU  45   2.854  -5.708  -9.642
  147    HA   GLU  45           HA       GLU  45   1.205  -3.631  -8.714
  148    HB2  GLU  45           2HB      GLU  45   3.221  -3.650 -10.438
  149    HB3  GLU  45           3HB      GLU  45   1.942  -3.854 -11.638
  150    HG2  GLU  45           2HG      GLU  45   0.947  -1.756 -10.121
  151    HG3  GLU  45           3HG      GLU  45   2.672  -1.509  -9.939
  152    H    SER  46           H        SER  46   0.282  -6.222 -11.049
  153    HA   SER  46           HA       SER  46  -2.162  -4.979 -11.912
  154    HG   SER  46           HG       SER  46  -1.507  -8.679 -11.297
  155    HB2  SER  46           2HB      SER  46  -2.789  -7.383 -12.495
  156    HB3  SER  46           3HB      SER  46  -1.372  -6.672 -13.269
  157    H    GLU  47           H        GLU  47  -1.405  -6.803  -8.918
  158    HA   GLU  47           HA       GLU  47  -4.223  -7.447  -8.330
  159    HB2  GLU  47           2HB      GLU  47  -1.448  -7.946  -7.163
  160    HB3  GLU  47           3HB      GLU  47  -2.852  -8.150  -6.182
  161    HG2  GLU  47           2HG      GLU  47  -2.301 -10.268  -7.069
  162    HG3  GLU  47           3HG      GLU  47  -3.789  -9.768  -7.892
  163    H    LEU  48           H        LEU  48  -1.512  -5.378  -7.355
  164    HA   LEU  48           HA       LEU  48  -2.899  -3.805  -5.397
  165    HG   LEU  48           HG       LEU  48  -0.413  -5.229  -5.451
  166    HB2  LEU  48           2HB      LEU  48  -0.531  -3.186  -7.206
  167    HB3  LEU  48           3HB      LEU  48  -1.002  -2.273  -5.869
  168   HD11  LEU  48          1HD1      LEU  48   1.700  -3.086  -5.322
  169   HD12  LEU  48          2HD1      LEU  48   1.871  -4.841  -5.098
  170   HD13  LEU  48          3HD1      LEU  48   1.490  -4.200  -6.695
  171   HD21  LEU  48          3HD2      LEU  48  -1.293  -4.017  -3.599
  172   HD22  LEU  48          1HD2      LEU  48   0.414  -4.366  -3.330
  173   HD23  LEU  48          2HD2      LEU  48  -0.070  -2.697  -3.823
  174    H    ASN  49           H        ASN  49  -2.531  -3.545  -8.969
  175    HA   ASN  49           HA       ASN  49  -4.002  -1.082  -9.213
  176    HB2  ASN  49           2HB      ASN  49  -3.281  -3.256 -11.143
  177    HB3  ASN  49           3HB      ASN  49  -4.660  -2.267 -11.562
  178   HD21  ASN  49          2HD2      ASN  49  -1.259  -1.984 -10.582
  179   HD22  ASN  49          1HD2      ASN  49  -0.909  -0.609 -11.618
  180    H    GLU  50           H        GLU  50  -5.237  -4.465  -9.158
  181    HA   GLU  50           HA       GLU  50  -8.012  -3.741  -9.389
  182    HB2  GLU  50           2HB      GLU  50  -6.478  -6.088  -8.343
  183    HB3  GLU  50           3HB      GLU  50  -8.179  -5.936  -7.878
  184    HG2  GLU  50           2HG      GLU  50  -8.727  -5.660 -10.356
  185    HG3  GLU  50           3HG      GLU  50  -7.045  -6.055 -10.711
  186    H    ILE  51           H        ILE  51  -5.957  -4.005  -6.476
  187    HA   ILE  51           HA       ILE  51  -8.166  -3.482  -4.648
  188    HB   ILE  51           HB       ILE  51  -5.182  -3.659  -4.407
  189   HG12  ILE  51          2HG1      ILE  51  -7.275  -5.613  -3.357
  190   HG13  ILE  51          3HG1      ILE  51  -6.539  -5.760  -4.946
  191   HG21  ILE  51          1HG2      ILE  51  -5.926  -2.241  -2.517
  192   HG22  ILE  51          2HG2      ILE  51  -7.188  -3.427  -2.119
  193   HG23  ILE  51          3HG2      ILE  51  -5.467  -3.817  -1.911
  194   HD11  ILE  51          3HD1      ILE  51  -5.102  -5.987  -2.273
  195   HD12  ILE  51          1HD1      ILE  51  -4.262  -5.862  -3.839
  196   HD13  ILE  51          2HD1      ILE  51  -5.338  -7.231  -3.512
  197    H    PHE  52           H        PHE  52  -5.575  -1.463  -5.981
  198    HA   PHE  52           HA       PHE  52  -6.196   0.831  -4.248
  199    HD1  PHE  52           HD1      PHE  52  -3.914  -1.897  -4.366
  200    HD2  PHE  52           HD2      PHE  52  -3.355   2.172  -3.061
  201    HE1  PHE  52           HE1      PHE  52  -2.496  -2.693  -2.524
  202    HE2  PHE  52           HE2      PHE  52  -1.809   1.369  -1.340
  203    HZ   PHE  52           HZ       PHE  52  -1.176  -1.043  -1.256
  204    HB2  PHE  52           2HB      PHE  52  -3.902   0.193  -5.985
  205    HB3  PHE  52           3HB      PHE  52  -4.117   1.752  -5.234
  206    H    GLY  53           H        GLY  53  -6.457  -0.134  -7.622
  207    HA2  GLY  53           2HA      GLY  53  -6.630   2.250  -9.036
  208    HA3  GLY  53           3HA      GLY  53  -7.602   0.810  -9.343
  209    HA   PRO  54           HA       PRO  54 -11.224   2.849  -7.493
  210    HB2  PRO  54           2HB      PRO  54 -10.937   1.995  -4.634
  211    HB3  PRO  54           3HB      PRO  54 -12.345   1.836  -5.727
  212    HG2  PRO  54           2HG      PRO  54 -10.828  -0.327  -5.117
  213    HG3  PRO  54           3HG      PRO  54 -11.366  -0.067  -6.819
  214    HD2  PRO  54           2HD      PRO  54  -8.759   0.769  -5.536
  215    HD3  PRO  54           3HD      PRO  54  -8.940  -0.250  -6.978
  216    H    PHE  55           H        PHE  55  -8.250   3.346  -5.633
  217    HA   PHE  55           HA       PHE  55  -9.247   5.693  -4.193
  218    HD1  PHE  55           HD2      PHE  55  -9.677   3.743  -3.073
  219    HD2  PHE  55           HD1      PHE  55  -5.432   3.135  -2.954
  220    HE1  PHE  55           HE2      PHE  55 -10.027   1.512  -2.041
  221    HE2  PHE  55           HE1      PHE  55  -5.768   1.014  -1.662
  222    HZ   PHE  55           HZ       PHE  55  -8.088   0.180  -1.283
  223    HB2  PHE  55           2HB      PHE  55  -6.390   4.734  -4.377
  224    HB3  PHE  55           3HB      PHE  55  -7.120   5.714  -3.140
  225    H    GLY  56           H        GLY  56  -7.003   4.989  -6.855
  226    HA2  GLY  56           2HA      GLY  56  -7.527   6.517  -8.666
  227    HA3  GLY  56           3HA      GLY  56  -7.212   7.860  -7.598
  228    HA   PRO  57           HA       PRO  57  -3.527   8.497  -9.471
  229    HB2  PRO  57           2HB      PRO  57  -1.958   8.955  -6.967
  230    HB3  PRO  57           3HB      PRO  57  -2.278  10.060  -8.323
  231    HG2  PRO  57           2HG      PRO  57  -3.607  10.332  -5.967
  232    HG3  PRO  57           3HG      PRO  57  -4.451  10.568  -7.526
  233    HD2  PRO  57           2HD      PRO  57  -4.419   8.088  -5.786
  234    HD3  PRO  57           3HD      PRO  57  -5.820   8.926  -6.492
  235    H    MET  58           H        MET  58  -2.858   6.141  -6.996
  236    HA   MET  58           HA       MET  58  -0.953   4.809  -6.519
  237    HB2  MET  58           2HB      MET  58  -1.324   3.875  -9.301
  238    HB3  MET  58           3HB      MET  58  -0.826   2.963  -7.893
  239    HG2  MET  58           2HG      MET  58  -3.156   3.292  -6.934
  240    HG3  MET  58           3HG      MET  58  -3.640   3.972  -8.496
  241    HE1  MET  58           3HE      MET  58  -1.083   0.815  -8.154
  242    HE2  MET  58           1HE      MET  58  -2.027   1.081  -6.668
  243    HE3  MET  58           2HE      MET  58  -2.318  -0.360  -7.671
  244    H    LYS  59           H        LYS  59   0.121   7.005  -6.890
  245    HA   LYS  59           HA       LYS  59   1.740   7.606  -9.033
  246    HB2  LYS  59           2HB      LYS  59   0.811   8.889  -7.024
  247    HB3  LYS  59           3HB      LYS  59   2.159   8.220  -6.091
  248    HG2  LYS  59           2HG      LYS  59   2.533   9.903  -8.565
  249    HG3  LYS  59           3HG      LYS  59   2.186  10.535  -6.971
  250    HD2  LYS  59           2HD      LYS  59   4.702   9.225  -7.881
  251    HD3  LYS  59           3HD      LYS  59   4.344  10.780  -7.146
  252    HE2  LYS  59           2HE      LYS  59   4.136   9.962  -5.006
  253    HE3  LYS  59           3HE      LYS  59   4.109   8.262  -5.544
  254    HZ1  LYS  59           3HZ      LYS  59   6.288   9.059  -4.640
  255    HZ2  LYS  59           1HZ      LYS  59   6.418   8.372  -6.108
  256    HZ3  LYS  59           2HZ      LYS  59   6.474  10.006  -5.956
  257    H    GLU  60           H        GLU  60   2.253   5.371  -6.462
  258    HA   GLU  60           HA       GLU  60   4.530   4.255  -7.851
  259    HB2  GLU  60           2HB      GLU  60   5.313   6.145  -5.942
  260    HB3  GLU  60           3HB      GLU  60   5.373   4.627  -5.033
  261    HG2  GLU  60           2HG      GLU  60   6.940   3.682  -6.648
  262    HG3  GLU  60           3HG      GLU  60   6.839   5.154  -7.640
  263    H    VAL  61           H        VAL  61   5.270   2.312  -7.165
  264    HA   VAL  61           HA       VAL  61   3.618   0.735  -5.363
  265    HB   VAL  61           HB       VAL  61   3.665  -0.128  -8.296
  266   HG11  VAL  61          1HG1      VAL  61   1.857  -1.537  -7.659
  267   HG12  VAL  61          2HG1      VAL  61   3.010  -1.601  -6.312
  268   HG13  VAL  61          3HG1      VAL  61   1.539  -0.619  -6.182
  269   HG21  VAL  61          3HG2      VAL  61   1.423   0.650  -8.743
  270   HG22  VAL  61          1HG2      VAL  61   1.408   1.579  -7.235
  271   HG23  VAL  61          2HG2      VAL  61   2.539   1.999  -8.539
  272    H    LYS  62           H        LYS  62   5.831   0.755  -4.464
  273    HA   LYS  62           HA       LYS  62   7.962  -0.606  -5.939
  274    HB2  LYS  62           2HB      LYS  62   7.798  -0.314  -2.919
  275    HB3  LYS  62           3HB      LYS  62   9.200  -0.610  -3.925
  276    HG2  LYS  62           2HG      LYS  62   8.412   1.803  -4.956
  277    HG3  LYS  62           3HG      LYS  62   7.754   1.939  -3.321
  278    HD2  LYS  62           2HD      LYS  62   9.883   2.739  -2.859
  279    HD3  LYS  62           3HD      LYS  62  10.230   1.030  -2.666
  280    HE2  LYS  62           2HE      LYS  62  11.918   1.645  -4.142
  281    HE3  LYS  62           3HE      LYS  62  10.668   1.133  -5.288
  282    HZ1  LYS  62           3HZ      LYS  62  11.411   3.273  -6.002
  283    HZ2  LYS  62           1HZ      LYS  62  10.000   3.637  -5.219
  284    HZ3  LYS  62           2HZ      LYS  62  11.441   3.878  -4.483
  285    H    ILE  63           H        ILE  63   8.047  -2.716  -6.275
  286    HA   ILE  63           HA       ILE  63   6.406  -4.588  -4.611
  287    HB   ILE  63           HB       ILE  63   7.422  -5.142  -7.399
  288   HG12  ILE  63          2HG1      ILE  63   5.913  -3.283  -7.701
  289   HG13  ILE  63          3HG1      ILE  63   5.310  -4.761  -8.407
  290   HG21  ILE  63          1HG2      ILE  63   5.328  -6.521  -5.669
  291   HG22  ILE  63          2HG2      ILE  63   5.655  -6.921  -7.376
  292   HG23  ILE  63          3HG2      ILE  63   6.908  -7.158  -6.158
  293   HD11  ILE  63          3HD1      ILE  63   3.502  -3.527  -7.376
  294   HD12  ILE  63          1HD1      ILE  63   3.720  -5.061  -6.537
  295   HD13  ILE  63          2HD1      ILE  63   4.301  -3.562  -5.781
  296    H    LEU  64           H        LEU  64   7.468  -5.882  -3.353
  297    HA   LEU  64           HA       LEU  64  10.172  -6.958  -3.992
  298    HG   LEU  64           HG       LEU  64  11.273  -4.806  -3.012
  299    HB2  LEU  64           2HB      LEU  64   9.041  -5.983  -1.329
  300    HB3  LEU  64           3HB      LEU  64  10.602  -6.738  -1.570
  301   HD11  LEU  64          1HD1      LEU  64   9.758  -3.320  -3.711
  302   HD12  LEU  64          2HD1      LEU  64   8.571  -3.773  -2.465
  303   HD13  LEU  64          3HD1      LEU  64   9.872  -2.623  -2.105
  304   HD21  LEU  64          3HD2      LEU  64  11.689  -3.360  -1.064
  305   HD22  LEU  64          1HD2      LEU  64  10.537  -4.371  -0.144
  306   HD23  LEU  64          2HD2      LEU  64  12.028  -5.080  -0.777
  307    H    ASN  65           H        ASN  65  10.535  -8.745  -2.265
  308    HA   ASN  65           HA       ASN  65   9.287 -11.031  -3.125
  309    HB2  ASN  65           2HB      ASN  65  10.755 -10.631  -0.544
  310    HB3  ASN  65           3HB      ASN  65  10.708 -12.137  -1.458
  311   HD21  ASN  65          1HD2      ASN  65  12.646  -9.433  -0.877
  312   HD22  ASN  65          2HD2      ASN  65  13.647  -9.572  -2.320
  313    H    GLY  66           H        GLY  66   6.959  -9.916  -2.342
  314    HA2  GLY  66           2HA      GLY  66   5.104 -11.070  -1.278
  315    HA3  GLY  66           3HA      GLY  66   6.041 -11.269   0.183
  316    H    PHE  67           H        PHE  67   6.715  -8.234  -1.251
  317    HA   PHE  67           HA       PHE  67   4.734  -6.879   0.550
  318    HD1  PHE  67           HD1      PHE  67   8.736  -8.157   0.225
  319    HD2  PHE  67           HD2      PHE  67   6.361  -6.886   3.588
  320    HE1  PHE  67           HE1      PHE  67   9.759  -9.941   1.632
  321    HE2  PHE  67           HE2      PHE  67   7.377  -8.668   4.981
  322    HZ   PHE  67           HZ       PHE  67   9.069 -10.206   4.003
  323    HB2  PHE  67           2HB      PHE  67   7.572  -5.937   0.309
  324    HB3  PHE  67           3HB      PHE  67   6.398  -5.572   1.545
  325    H    ALA  68           H        ALA  68   3.925  -5.060  -0.098
  326    HA   ALA  68           HA       ALA  68   4.818  -3.682  -2.621
  327    HB1  ALA  68           1HB      ALA  68   2.512  -3.182  -2.993
  328    HB2  ALA  68           2HB      ALA  68   2.762  -4.947  -2.924
  329    HB3  ALA  68           3HB      ALA  68   2.047  -4.088  -1.541
  330    H    PHE  69           H        PHE  69   5.252  -1.608  -2.346
  331    HA   PHE  69           HA       PHE  69   4.227  -0.222   0.036
  332    HD1  PHE  69           HD2      PHE  69   7.300  -2.110  -1.350
  333    HD2  PHE  69           HD1      PHE  69   7.019  -0.098   2.448
  334    HE1  PHE  69           HE2      PHE  69   8.434  -3.995  -0.273
  335    HE2  PHE  69           HE1      PHE  69   8.336  -1.947   3.490
  336    HZ   PHE  69           HZ       PHE  69   9.112  -3.892   2.055
  337    HB2  PHE  69           2HB      PHE  69   6.974   0.499  -1.014
  338    HB3  PHE  69           3HB      PHE  69   6.207   0.974   0.475
  339    H    VAL  70           H        VAL  70   2.615   0.539  -1.072
  340    HA   VAL  70           HA       VAL  70   2.918   1.846  -3.695
  341    HB   VAL  70           HB       VAL  70   0.361   1.515  -2.105
  342   HG11  VAL  70          1HG1      VAL  70  -0.683   1.172  -4.276
  343   HG12  VAL  70          2HG1      VAL  70   0.133   2.769  -4.287
  344   HG13  VAL  70          3HG1      VAL  70   0.869   1.324  -5.080
  345   HG21  VAL  70          3HG2      VAL  70   1.299  -0.711  -2.249
  346   HG22  VAL  70          1HG2      VAL  70   0.070  -0.566  -3.518
  347   HG23  VAL  70          2HG2      VAL  70   1.796  -0.371  -3.966
  348    H    GLU  71           H        GLU  71   1.905   3.994  -4.026
  349    HA   GLU  71           HA       GLU  71   2.238   5.863  -1.715
  350    HB2  GLU  71           2HB      GLU  71   4.504   5.177  -2.790
  351    HB3  GLU  71           3HB      GLU  71   3.899   6.003  -4.232
  352    HG2  GLU  71           2HG      GLU  71   3.822   8.107  -3.308
  353    HG3  GLU  71           3HG      GLU  71   3.870   7.515  -1.650
  354    H    PHE  72           H        PHE  72   1.570   7.875  -2.129
  355    HA   PHE  72           HA       PHE  72   0.625   8.675  -4.836
  356    HD1  PHE  72           HD1      PHE  72  -1.832   7.503  -5.368
  357    HD2  PHE  72           HD2      PHE  72  -1.512   7.490  -1.081
  358    HE1  PHE  72           HE1      PHE  72  -3.318   5.489  -5.253
  359    HE2  PHE  72           HE2      PHE  72  -3.020   5.522  -0.977
  360    HZ   PHE  72           HZ       PHE  72  -3.907   4.533  -3.063
  361    HB2  PHE  72           2HB      PHE  72  -0.850   9.409  -2.293
  362    HB3  PHE  72           3HB      PHE  72  -1.331   9.614  -3.961
  363    H    GLU  73           H        GLU  73   0.365  11.023  -5.036
  364    HA   GLU  73           HA       GLU  73   2.625  12.385  -3.664
  365    HB2  GLU  73           2HB      GLU  73   2.603  13.986  -5.469
  366    HB3  GLU  73           3HB      GLU  73   2.907  12.328  -5.963
  367    HG2  GLU  73           2HG      GLU  73   0.529  12.149  -6.757
  368    HG3  GLU  73           3HG      GLU  73   0.231  13.796  -6.210
  369    H    GLU  74           H        GLU  74  -0.616  12.050  -3.103
  370    HA   GLU  74           HA       GLU  74  -0.872  14.714  -1.835
  371    HB2  GLU  74           2HB      GLU  74  -2.081  14.183  -4.272
  372    HB3  GLU  74           3HB      GLU  74  -3.337  13.668  -3.156
  373    HG2  GLU  74           2HG      GLU  74  -1.983  16.400  -3.292
  374    HG3  GLU  74           3HG      GLU  74  -3.611  16.012  -3.837
  375    H    ALA  75           H        ALA  75  -2.366  14.791  -0.065
  376    HA   ALA  75           HA       ALA  75  -2.383  12.331   1.458
  377    HB1  ALA  75           1HB      ALA  75  -1.776  14.467   2.468
  378    HB2  ALA  75           2HB      ALA  75  -3.397  15.118   2.098
  379    HB3  ALA  75           3HB      ALA  75  -3.205  13.781   3.258
  380    H    GLU  76           H        GLU  76  -4.855  13.945  -0.460
  381    HA   GLU  76           HA       GLU  76  -7.186  12.755   0.638
  382    HB2  GLU  76           2HB      GLU  76  -6.264  13.578  -2.130
  383    HB3  GLU  76           3HB      GLU  76  -7.809  12.777  -1.953
  384    HG2  GLU  76           2HG      GLU  76  -7.026  15.150  -0.239
  385    HG3  GLU  76           3HG      GLU  76  -7.848  15.358  -1.810
  386    H    SER  77           H        SER  77  -5.132  11.525  -1.961
  387    HA   SER  77           HA       SER  77  -6.433   9.105  -2.566
  388    HG   SER  77           HG       SER  77  -3.039  10.715  -2.334
  389    HB2  SER  77           2HB      SER  77  -3.820   8.617  -3.070
  390    HB3  SER  77           3HB      SER  77  -4.877   9.505  -4.107
  391    H    ALA  78           H        ALA  78  -3.723   9.731  -0.427
  392    HA   ALA  78           HA       ALA  78  -3.536   7.068   0.631
  393    HB1  ALA  78           1HB      ALA  78  -2.620   9.628   1.971
  394    HB2  ALA  78           2HB      ALA  78  -1.975   7.971   2.176
  395    HB3  ALA  78           3HB      ALA  78  -1.775   8.830   0.625
  396    H    ALA  79           H        ALA  79  -5.146   9.990   2.075
  397    HA   ALA  79           HA       ALA  79  -6.078   8.788   4.450
  398    HB1  ALA  79           1HB      ALA  79  -6.130  11.192   4.055
  399    HB2  ALA  79           2HB      ALA  79  -7.341  10.984   2.767
  400    HB3  ALA  79           3HB      ALA  79  -7.750  10.597   4.450
  401    H    LYS  80           H        LYS  80  -7.737   8.960   1.239
  402    HA   LYS  80           HA       LYS  80  -9.859   7.263   2.230
  403    HB2  LYS  80           2HB      LYS  80 -10.713   7.126   0.025
  404    HB3  LYS  80           3HB      LYS  80 -10.158   8.777   0.296
  405    HG2  LYS  80           2HG      LYS  80  -8.047   8.126  -1.000
  406    HG3  LYS  80           3HG      LYS  80  -8.803   6.566  -1.313
  407    HD2  LYS  80           2HD      LYS  80  -9.404   7.694  -3.232
  408    HD3  LYS  80           3HD      LYS  80 -10.792   8.114  -2.253
  409    HE2  LYS  80           2HE      LYS  80  -8.339   9.837  -2.890
  410    HE3  LYS  80           3HE      LYS  80  -9.957  10.029  -3.534
  411    HZ1  LYS  80           3HZ      LYS  80 -10.725  10.492  -1.210
  412    HZ2  LYS  80           1HZ      LYS  80  -9.156  10.486  -0.716
  413    HZ3  LYS  80           2HZ      LYS  80  -9.697  11.626  -1.743
  414    H    ALA  81           H        ALA  81  -6.846   6.489   0.483
  415    HA   ALA  81           HA       ALA  81  -7.375   3.776   0.097
  416    HB1  ALA  81           1HB      ALA  81  -4.954   3.392   0.111
  417    HB2  ALA  81           2HB      ALA  81  -5.394   4.835  -0.806
  418    HB3  ALA  81           3HB      ALA  81  -4.687   4.997   0.815
  419    H    ILE  82           H        ILE  82  -5.972   5.385   3.025
  420    HA   ILE  82           HA       ILE  82  -5.792   3.194   4.766
  421    HB   ILE  82           HB       ILE  82  -6.490   6.079   5.327
  422   HG12  ILE  82          2HG1      ILE  82  -3.958   4.914   6.384
  423   HG13  ILE  82          3HG1      ILE  82  -4.006   5.079   4.639
  424   HG21  ILE  82          1HG2      ILE  82  -5.954   5.677   7.722
  425   HG22  ILE  82          2HG2      ILE  82  -7.419   4.854   7.218
  426   HG23  ILE  82          3HG2      ILE  82  -5.906   3.937   7.401
  427   HD11  ILE  82          3HD1      ILE  82  -3.092   7.096   5.726
  428   HD12  ILE  82          1HD1      ILE  82  -4.609   7.442   4.861
  429   HD13  ILE  82          2HD1      ILE  82  -4.627   7.308   6.623
  430    H    GLU  83           H        GLU  83  -8.593   5.460   4.483
  431    HA   GLU  83           HA       GLU  83 -10.246   3.909   6.202
  432    HB2  GLU  83           2HB      GLU  83 -10.928   5.955   4.091
  433    HB3  GLU  83           3HB      GLU  83 -12.106   5.298   5.230
  434    HG2  GLU  83           2HG      GLU  83  -9.526   6.675   6.147
  435    HG3  GLU  83           3HG      GLU  83 -11.025   7.533   5.820
  436    H    GLU  84           H        GLU  84  -9.592   3.409   2.818
  437    HA   GLU  84           HA       GLU  84 -11.935   1.738   2.237
  438    HB2  GLU  84           2HB      GLU  84  -9.353   2.370   0.767
  439    HB3  GLU  84           3HB      GLU  84 -10.535   1.235   0.148
  440    HG2  GLU  84           2HG      GLU  84 -11.412   4.039   0.820
  441    HG3  GLU  84           3HG      GLU  84 -10.511   3.730  -0.664
  442    H    VAL  85           H        VAL  85  -8.501   1.136   3.062
  443    HA   VAL  85           HA       VAL  85  -9.082  -1.785   3.257
  444    HB   VAL  85           HB       VAL  85  -8.579  -1.396   0.984
  445   HG11  VAL  85          1HG1      VAL  85  -6.044  -0.047   1.891
  446   HG12  VAL  85          2HG1      VAL  85  -6.280  -0.662   0.244
  447   HG13  VAL  85          3HG1      VAL  85  -7.344   0.593   0.881
  448   HG21  VAL  85          3HG2      VAL  85  -6.858  -2.983   0.558
  449   HG22  VAL  85          1HG2      VAL  85  -6.132  -2.718   2.149
  450   HG23  VAL  85          2HG2      VAL  85  -7.730  -3.495   2.016
  451    H    HIS  86           H        HIS  86  -7.303   0.823   4.696
  452    HA   HIS  86           HA       HIS  86  -5.287  -0.845   5.969
  453    HD1  HIS  86           HD1      HIS  86  -3.005   1.892   7.084
  454    HD2  HIS  86           HD2      HIS  86  -5.870   0.062   9.542
  455    HE1  HIS  86           HE1      HIS  86  -1.808   1.326   9.275
  456    HB2  HIS  86           2HB      HIS  86  -5.320   1.692   5.990
  457    HB3  HIS  86           3HB      HIS  86  -6.615   1.618   7.170
  458    H    GLY  87           H        GLY  87  -5.798  -2.603   7.177
  459    HA2  GLY  87           2HA      GLY  87  -6.329  -3.308   9.440
  460    HA3  GLY  87           3HA      GLY  87  -7.700  -2.200   9.467
  461    H    LYS  88           H        LYS  88  -7.576  -3.631   6.450
  462    HA   LYS  88           HA       LYS  88  -9.850  -5.464   6.992
  463    HB2  LYS  88           2HB      LYS  88  -8.599  -4.083   4.596
  464    HB3  LYS  88           3HB      LYS  88  -9.687  -5.358   4.394
  465    HG2  LYS  88           2HG      LYS  88 -10.857  -3.260   4.146
  466    HG3  LYS  88           3HG      LYS  88 -11.500  -4.087   5.563
  467    HD2  LYS  88           2HD      LYS  88 -10.495  -2.577   7.080
  468    HD3  LYS  88           3HD      LYS  88  -9.279  -2.073   5.894
  469    HE2  LYS  88           2HE      LYS  88 -10.976  -0.941   4.563
  470    HE3  LYS  88           3HE      LYS  88 -12.218  -1.350   5.750
  471    HZ1  LYS  88           3HZ      LYS  88 -11.103   0.011   7.368
  472    HZ2  LYS  88           1HZ      LYS  88  -9.777   0.214   6.445
  473    HZ3  LYS  88           2HZ      LYS  88 -11.198   0.922   6.002
  474    H    SER  89           H        SER  89  -9.634  -7.563   6.678
  475    HA   SER  89           HA       SER  89  -6.932  -8.668   6.774
  476    HG   SER  89           HG       SER  89 -10.101 -10.361   6.225
  477    HB2  SER  89           2HB      SER  89  -8.098 -10.806   7.288
  478    HB3  SER  89           3HB      SER  89  -8.451  -9.467   8.386
  479    H    PHE  90           H        PHE  90  -5.906  -8.624   4.731
  480    HA   PHE  90           HA       PHE  90  -7.204 -10.266   2.571
  481    HD1  PHE  90           HD2      PHE  90  -4.436 -10.987   0.755
  482    HD2  PHE  90           HD1      PHE  90  -7.088  -7.622   0.238
  483    HE1  PHE  90           HE2      PHE  90  -4.899 -11.706  -1.571
  484    HE2  PHE  90           HE1      PHE  90  -7.439  -8.267  -2.121
  485    HZ   PHE  90           HZ       PHE  90  -6.423 -10.363  -2.996
  486    HB2  PHE  90           2HB      PHE  90  -6.209  -8.014   2.241
  487    HB3  PHE  90           3HB      PHE  90  -4.632  -8.679   2.470
  488    H    ALA  91           H        ALA  91  -6.393 -12.211   1.954
  489    HA   ALA  91           HA       ALA  91  -5.519 -14.255   2.048
  490    HB1  ALA  91           1HB      ALA  91  -3.069 -14.427   2.107
  491    HB2  ALA  91           2HB      ALA  91  -3.631 -13.111   1.072
  492    HB3  ALA  91           3HB      ALA  91  -2.960 -12.750   2.680
  493    H    ASN  92           H        ASN  92  -3.986 -12.730   4.898
  494    HA   ASN  92           HA       ASN  92  -5.055 -14.764   6.731
  495    HB2  ASN  92           2HB      ASN  92  -2.858 -15.495   7.516
  496    HB3  ASN  92           3HB      ASN  92  -3.004 -15.826   5.794
  497   HD21  ASN  92          1HD2      ASN  92  -1.596 -14.677   4.326
  498   HD22  ASN  92          2HD2      ASN  92  -0.308 -13.639   4.919
  499    H    GLN  93           H        GLN  93  -4.079 -11.508   6.173
  500    HA   GLN  93           HA       GLN  93  -4.359 -10.744   8.983
  501    HB2  GLN  93           2HB      GLN  93  -2.124  -9.932   9.333
  502    HB3  GLN  93           3HB      GLN  93  -1.997 -11.613   8.871
  503    HG2  GLN  93           2HG      GLN  93  -1.510 -10.844   6.527
  504    HG3  GLN  93           3HG      GLN  93  -1.500  -9.175   7.126
  505   HE21  GLN  93          2HE2      GLN  93   0.149 -12.327   7.379
  506   HE22  GLN  93          1HE2      GLN  93   1.722 -11.619   7.722
  507    HA   PRO  94           HA       PRO  94  -5.456  -7.089   6.936
  508    HB2  PRO  94           2HB      PRO  94  -5.055  -5.036   8.756
  509    HB3  PRO  94           3HB      PRO  94  -6.321  -6.294   8.958
  510    HG2  PRO  94           2HG      PRO  94  -3.503  -6.291  10.112
  511    HG3  PRO  94           3HG      PRO  94  -5.050  -6.536  10.990
  512    HD2  PRO  94           2HD      PRO  94  -3.551  -8.609  10.172
  513    HD3  PRO  94           3HD      PRO  94  -5.334  -8.675   9.994
  514    H    LEU  95           H        LEU  95  -4.955  -5.366   5.782
  515    HA   LEU  95           HA       LEU  95  -2.210  -4.833   5.007
  516    HG   LEU  95           HG       LEU  95  -4.364  -4.228   2.045
  517    HB2  LEU  95           2HB      LEU  95  -4.889  -3.492   4.457
  518    HB3  LEU  95           3HB      LEU  95  -3.405  -3.000   3.729
  519   HD11  LEU  95          1HD1      LEU  95  -2.767  -6.296   3.497
  520   HD12  LEU  95          2HD1      LEU  95  -3.239  -6.372   1.795
  521   HD13  LEU  95          3HD1      LEU  95  -2.126  -5.104   2.359
  522   HD21  LEU  95          3HD2      LEU  95  -6.239  -4.990   3.443
  523   HD22  LEU  95          1HD2      LEU  95  -5.696  -5.975   2.091
  524   HD23  LEU  95          2HD2      LEU  95  -5.253  -6.452   3.763
  525    H    GLU  96           H        GLU  96  -1.106  -2.867   5.150
  526    HA   GLU  96           HA       GLU  96  -1.703  -1.206   7.543
  527    HB2  GLU  96           2HB      GLU  96  -0.112  -3.139   7.802
  528    HB3  GLU  96           3HB      GLU  96   1.004  -2.337   6.701
  529    HG2  GLU  96           2HG      GLU  96   1.320  -0.514   8.196
  530    HG3  GLU  96           3HG      GLU  96  -0.049  -0.995   9.220
  531    H    VAL  97           H        VAL  97  -2.631  -0.373   5.412
  532    HA   VAL  97           HA       VAL  97  -1.084   1.027   3.445
  533    HB   VAL  97           HB       VAL  97  -3.944   0.976   4.440
  534   HG11  VAL  97          1HG1      VAL  97  -4.824   1.850   2.378
  535   HG12  VAL  97          2HG1      VAL  97  -3.812   3.064   3.171
  536   HG13  VAL  97          3HG1      VAL  97  -3.224   2.156   1.749
  537   HG21  VAL  97          3HG2      VAL  97  -2.603  -1.025   3.115
  538   HG22  VAL  97          1HG2      VAL  97  -4.342  -0.789   2.991
  539   HG23  VAL  97          2HG2      VAL  97  -3.249  -0.169   1.725
  540    H    VAL  98           H        VAL  98   0.134   3.043   4.244
  541    HA   VAL  98           HA       VAL  98  -1.414   4.842   5.937
  542    HB   VAL  98           HB       VAL  98  -0.632   2.599   7.074
  543   HG11  VAL  98          1HG1      VAL  98   1.913   3.834   7.907
  544   HG12  VAL  98          2HG1      VAL  98   1.233   2.247   8.168
  545   HG13  VAL  98          3HG1      VAL  98   1.777   2.643   6.552
  546   HG21  VAL  98          3HG2      VAL  98  -0.830   3.621   9.166
  547   HG22  VAL  98          1HG2      VAL  98  -0.690   5.231   8.387
  548   HG23  VAL  98          2HG2      VAL  98  -2.014   4.100   7.927
  549    H    TYR  99           H        TYR  99   1.738   5.022   6.851
  550    HA   TYR  99           HA       TYR  99   2.529   7.070   4.819
  551    HD1  TYR  99           HD1      TYR  99   0.705   8.237   5.465
  552    HD2  TYR  99           HD2      TYR  99   2.393   8.331   9.436
  553    HE1  TYR  99           HE1      TYR  99  -1.341   9.309   6.277
  554    HE2  TYR  99           HE2      TYR  99   0.361   9.495  10.256
  555    HH   TYR  99           HH       TYR  99  -1.710  10.324   9.726
  556    HB2  TYR  99           2HB      TYR  99   3.347   6.882   7.724
  557    HB3  TYR  99           3HB      TYR  99   3.683   8.212   6.620
  558    H    SER 100           H        SER 100   2.968   4.081   5.224
  559    HA   SER 100           HA       SER 100   4.683   2.557   5.754
  560    HG   SER 100           HG       SER 100   2.550   2.913   3.783
  561    HB2  SER 100           2HB      SER 100   4.509   3.039   2.834
  562    HB3  SER 100           3HB      SER 100   5.086   1.612   3.660
  563    H    LYS 101           H        LYS 101   6.256   5.029   3.559
  564    HA   LYS 101           HA       LYS 101   8.910   4.349   4.588
  565    HB2  LYS 101           2HB      LYS 101   9.820   3.468   2.492
  566    HB3  LYS 101           3HB      LYS 101   8.552   2.460   3.136
  567    HG2  LYS 101           2HG      LYS 101   8.201   2.399   0.865
  568    HG3  LYS 101           3HG      LYS 101   6.956   3.509   1.419
  569    HD2  LYS 101           2HD      LYS 101   8.209   5.419   0.518
  570    HD3  LYS 101           3HD      LYS 101   9.638   4.407   0.265
  571    HE2  LYS 101           2HE      LYS 101   8.398   3.055  -1.387
  572    HE3  LYS 101           3HE      LYS 101   6.964   4.069  -1.161
  573    HZ1  LYS 101           3HZ      LYS 101   8.466   4.716  -3.116
  574    HZ2  LYS 101           1HZ      LYS 101   8.032   5.890  -2.091
  575    HZ3  LYS 101           2HZ      LYS 101   9.555   5.254  -1.991
  576    H    LEU 102           H        LEU 102  10.657   5.516   3.591
  577    HA   LEU 102           HA       LEU 102   9.968   7.967   2.088
  578    HG   LEU 102           HG       LEU 102   9.893  10.303   3.229
  579    HB2  LEU 102           2HB      LEU 102   9.719   8.307   4.603
  580    HB3  LEU 102           3HB      LEU 102  11.455   8.162   4.731
  581   HD11  LEU 102          1HD1      LEU 102  10.733  11.781   4.984
  582   HD12  LEU 102          2HD1      LEU 102   9.899  10.411   5.722
  583   HD13  LEU 102          3HD1      LEU 102  11.672  10.453   5.701
  584   HD21  LEU 102          3HD2      LEU 102  12.909   9.962   3.504
  585   HD22  LEU 102          1HD2      LEU 102  11.953  10.147   2.001
  586   HD23  LEU 102          2HD2      LEU 102  12.122  11.504   3.097
  587    HA   PRO 103           HA       PRO 103  14.664   7.487   1.710
  588    HB2  PRO 103           2HB      PRO 103  16.189   5.642   2.978
  589    HB3  PRO 103           3HB      PRO 103  15.504   7.046   3.844
  590    HG2  PRO 103           2HG      PRO 103  14.324   4.247   3.671
  591    HG3  PRO 103           3HG      PRO 103  14.700   5.193   5.151
  592    HD2  PRO 103           2HD      PRO 103  12.228   5.184   4.051
  593    HD3  PRO 103           3HD      PRO 103  12.919   6.657   4.791
  594    H    ALA 104           H        ALA 104  12.547   5.880   0.379
  595    HA   ALA 104           HA       ALA 104  14.154   4.181  -1.393
  596    HB1  ALA 104           1HB      ALA 104  13.437   2.601   0.364
  597    HB2  ALA 104           2HB      ALA 104  11.749   3.118   0.158
  598    HB3  ALA 104           3HB      ALA 104  12.583   2.270  -1.150
  Start of MODEL   14
    1    H    GLU  28           H        GLU  28   6.540  14.331  11.698
    2    HA   GLU  28           HA       GLU  28   5.406  14.062   8.997
    3    HB2  GLU  28           2HB      GLU  28   6.970  15.994   9.248
    4    HB3  GLU  28           3HB      GLU  28   8.234  14.892   9.784
    5    HG2  GLU  28           2HG      GLU  28   8.364  15.597   7.364
    6    HG3  GLU  28           3HG      GLU  28   8.385  13.860   7.634
    7    H    LEU  29           H        LEU  29   6.194  12.308   7.750
    8    HA   LEU  29           HA       LEU  29   7.730  10.141   9.016
    9    HG   LEU  29           HG       LEU  29   4.835   7.640   9.284
   10    HB2  LEU  29           2HB      LEU  29   5.260  10.103   9.891
   11    HB3  LEU  29           3HB      LEU  29   4.797   9.680   8.278
   12   HD11  LEU  29          1HD1      LEU  29   6.703   6.295   8.647
   13   HD12  LEU  29          2HD1      LEU  29   6.434   7.477   7.368
   14   HD13  LEU  29          3HD1      LEU  29   7.779   7.701   8.519
   15   HD21  LEU  29          3HD2      LEU  29   7.301   8.421  10.867
   16   HD22  LEU  29          1HD2      LEU  29   5.616   8.392  11.446
   17   HD23  LEU  29          2HD2      LEU  29   6.405   6.881  10.982
   18    H    SER  30           H        SER  30   5.298  10.660   6.583
   19    HA   SER  30           HA       SER  30   6.777  10.741   4.239
   20    HG   SER  30           HG       SER  30   7.861   8.589   5.231
   21    HB2  SER  30           2HB      SER  30   5.553   7.970   4.728
   22    HB3  SER  30           3HB      SER  30   5.993   8.609   3.140
   23    H    ASN  31           H        ASN  31   3.854   9.786   5.885
   24    HA   ASN  31           HA       ASN  31   1.708  10.283   5.807
   25    HB2  ASN  31           2HB      ASN  31   2.282  12.662   4.102
   26    HB3  ASN  31           3HB      ASN  31   1.044  12.465   5.328
   27   HD21  ASN  31          2HD2      ASN  31   2.854  14.643   5.114
   28   HD22  ASN  31          1HD2      ASN  31   4.047  14.571   6.394
   29    H    THR  32           H        THR  32   2.954   8.882   3.222
   30    HA   THR  32           HA       THR  32   0.527   9.045   1.486
   31    HB   THR  32           HB       THR  32   2.003   9.495  -0.436
   32    HG1  THR  32           1HG      THR  32   3.979  10.255   1.419
   33   HG21  THR  32          1HG2      THR  32   0.873  11.402   0.613
   34   HG22  THR  32          2HG2      THR  32   2.320  11.688   1.615
   35   HG23  THR  32          3HG2      THR  32   2.419  11.812  -0.141
   36    H    ARG  33           H        ARG  33   1.750   6.494   2.972
   37    HA   ARG  33           HA       ARG  33   2.600   5.040   0.479
   38    HE   ARG  33           HE       ARG  33   7.208   6.473  -0.246
   39    HB2  ARG  33           2HB      ARG  33   4.257   5.390   2.970
   40    HB3  ARG  33           3HB      ARG  33   4.499   4.060   1.822
   41    HG2  ARG  33           2HG      ARG  33   5.202   5.205   0.162
   42    HG3  ARG  33           3HG      ARG  33   4.671   6.803   0.841
   43    HD2  ARG  33           2HD      ARG  33   6.371   6.618   2.561
   44    HD3  ARG  33           3HD      ARG  33   6.831   5.005   1.987
   45   HH11  ARG  33          2HH1      ARG  33   8.467   7.211   2.968
   46   HH12  ARG  33          1HH1      ARG  33  10.055   7.548   2.296
   47   HH21  ARG  33          1HH2      ARG  33   9.036   7.088  -0.956
   48   HH22  ARG  33          2HH2      ARG  33  10.364   7.550   0.145
   49    H    LEU  34           H        LEU  34   2.167   2.953   0.311
   50    HA   LEU  34           HA       LEU  34   0.533   1.871   2.548
   51    HG   LEU  34           HG       LEU  34  -1.963   2.731  -0.044
   52    HB2  LEU  34           2HB      LEU  34   0.087   1.197  -0.278
   53    HB3  LEU  34           3HB      LEU  34  -0.982   1.032   1.062
   54   HD11  LEU  34          1HD1      LEU  34  -1.142   3.698   2.278
   55   HD12  LEU  34          2HD1      LEU  34  -0.242   4.809   1.230
   56   HD13  LEU  34          3HD1      LEU  34  -1.978   4.689   1.077
   57   HD21  LEU  34          3HD2      LEU  34  -0.501   4.643  -1.128
   58   HD22  LEU  34          1HD2      LEU  34   0.734   3.398  -1.090
   59   HD23  LEU  34          2HD2      LEU  34  -0.798   3.090  -1.919
   60    H    PHE  35           H        PHE  35   1.413   0.320   3.678
   61    HA   PHE  35           HA       PHE  35   3.363  -1.478   2.404
   62    HD1  PHE  35           HD2      PHE  35   4.238  -3.570   3.342
   63    HD2  PHE  35           HD1      PHE  35   5.158  -0.926   6.637
   64    HE1  PHE  35           HE2      PHE  35   5.943  -5.138   4.128
   65    HE2  PHE  35           HE1      PHE  35   6.862  -2.541   7.436
   66    HZ   PHE  35           HZ       PHE  35   7.267  -4.650   6.175
   67    HB2  PHE  35           2HB      PHE  35   4.265  -0.265   4.057
   68    HB3  PHE  35           3HB      PHE  35   3.143  -0.471   5.280
   69    H    VAL  36           H        VAL  36   2.392  -3.085   1.534
   70    HA   VAL  36           HA       VAL  36   0.464  -4.658   3.188
   71    HB   VAL  36           HB       VAL  36  -0.938  -4.918   1.199
   72   HG11  VAL  36          1HG1      VAL  36  -0.528  -2.013   2.110
   73   HG12  VAL  36          2HG1      VAL  36  -2.029  -2.743   1.498
   74   HG13  VAL  36          3HG1      VAL  36  -1.371  -3.238   3.080
   75   HG21  VAL  36          3HG2      VAL  36  -0.886  -3.363  -0.525
   76   HG22  VAL  36          1HG2      VAL  36   0.445  -2.392   0.211
   77   HG23  VAL  36          2HG2      VAL  36   0.748  -4.050  -0.443
   78    H    ARG  37           H        ARG  37   0.783  -6.578   3.291
   79    HA   ARG  37           HA       ARG  37   2.811  -8.026   1.654
   80    HE   ARG  37           HE       ARG  37   3.202  -7.596   8.004
   81    HB2  ARG  37           2HB      ARG  37   4.141  -8.382   3.733
   82    HB3  ARG  37           3HB      ARG  37   4.046  -6.709   3.215
   83    HG2  ARG  37           2HG      ARG  37   2.613  -6.054   4.957
   84    HG3  ARG  37           3HG      ARG  37   2.136  -7.708   5.328
   85    HD2  ARG  37           2HD      ARG  37   4.442  -8.181   6.140
   86    HD3  ARG  37           3HD      ARG  37   4.890  -6.505   5.845
   87   HH11  ARG  37          2HH2      ARG  37   4.240  -4.557   6.532
   88   HH12  ARG  37          1HH2      ARG  37   3.672  -3.633   7.900
   89   HH21  ARG  37          2HH1      ARG  37   2.491  -6.303   9.657
   90   HH22  ARG  37          1HH1      ARG  37   2.651  -4.566   9.546
   91    HA   PRO  38           HA       PRO  38   0.011 -11.253   4.064
   92    HB2  PRO  38           2HB      PRO  38  -1.923 -10.821   1.764
   93    HB3  PRO  38           3HB      PRO  38  -2.267 -11.453   3.383
   94    HG2  PRO  38           2HG      PRO  38  -2.855  -8.952   2.740
   95    HG3  PRO  38           3HG      PRO  38  -2.068  -9.251   4.321
   96    HD2  PRO  38           2HD      PRO  38  -0.795  -8.202   1.816
   97    HD3  PRO  38           3HD      PRO  38  -0.564  -7.723   3.531
   98    H    PHE  39           H        PHE  39   0.239 -10.442   0.674
   99    HA   PHE  39           HA       PHE  39   0.060 -13.079  -0.377
  100    HD1  PHE  39           HD2      PHE  39   1.809  -9.149  -1.101
  101    HD2  PHE  39           HD1      PHE  39  -2.337 -10.315  -1.420
  102    HE1  PHE  39           HE2      PHE  39   1.115  -6.789  -0.824
  103    HE2  PHE  39           HE1      PHE  39  -3.014  -7.959  -1.071
  104    HZ   PHE  39           HZ       PHE  39  -1.301  -6.189  -0.798
  105    HB2  PHE  39           2HB      PHE  39   1.105 -11.268  -2.296
  106    HB3  PHE  39           3HB      PHE  39  -0.544 -11.856  -2.143
  107    HA   PRO  40           HA       PRO  40   4.522 -13.962  -0.842
  108    HB2  PRO  40           2HB      PRO  40   3.597 -16.030  -2.771
  109    HB3  PRO  40           3HB      PRO  40   4.596 -16.195  -1.303
  110    HG2  PRO  40           2HG      PRO  40   1.979 -17.056  -1.438
  111    HG3  PRO  40           3HG      PRO  40   2.760 -16.486   0.064
  112    HD2  PRO  40           2HD      PRO  40   0.852 -15.006  -1.728
  113    HD3  PRO  40           3HD      PRO  40   1.021 -14.981   0.041
  114    H    LEU  41           H        LEU  41   5.579 -14.707  -3.316
  115    HA   LEU  41           HA       LEU  41   5.733 -12.216  -4.655
  116    HG   LEU  41           HG       LEU  41   8.098 -12.439  -4.389
  117    HB2  LEU  41           2HB      LEU  41   6.740 -15.003  -5.353
  118    HB3  LEU  41           3HB      LEU  41   7.042 -13.599  -6.367
  119   HD11  LEU  41          1HD1      LEU  41   7.356 -13.770  -2.484
  120   HD12  LEU  41          2HD1      LEU  41   8.025 -15.253  -3.212
  121   HD13  LEU  41          3HD1      LEU  41   9.096 -13.958  -2.648
  122   HD21  LEU  41          3HD2      LEU  41   9.394 -15.015  -5.366
  123   HD22  LEU  41          1HD2      LEU  41   9.401 -13.453  -6.218
  124   HD23  LEU  41          2HD2      LEU  41  10.238 -13.612  -4.671
  125    H    ASP  42           H        ASP  42   3.157 -14.321  -5.024
  126    HA   ASP  42           HA       ASP  42   2.561 -14.005  -7.844
  127    HB2  ASP  42           2HB      ASP  42   0.318 -14.792  -7.135
  128    HB3  ASP  42           3HB      ASP  42   1.639 -15.868  -6.680
  129    H    VAL  43           H        VAL  43   2.316 -11.678  -5.320
  130    HA   VAL  43           HA       VAL  43   0.162 -10.141  -6.659
  131    HB   VAL  43           HB       VAL  43   0.477 -10.015  -4.219
  132   HG11  VAL  43          1HG1      VAL  43   2.329  -8.744  -3.244
  133   HG12  VAL  43          2HG1      VAL  43   2.941 -10.148  -4.132
  134   HG13  VAL  43          3HG1      VAL  43   3.062  -8.515  -4.822
  135   HG21  VAL  43          3HG2      VAL  43  -0.638  -8.165  -5.397
  136   HG22  VAL  43          1HG2      VAL  43   0.213  -7.623  -3.953
  137   HG23  VAL  43          2HG2      VAL  43   0.912  -7.311  -5.549
  138    H    GLN  44           H        GLN  44   0.458  -8.273  -7.882
  139    HA   GLN  44           HA       GLN  44   2.919  -6.932  -8.115
  140    HB2  GLN  44           2HB      GLN  44   3.466  -7.146 -10.488
  141    HB3  GLN  44           3HB      GLN  44   3.782  -8.586  -9.592
  142    HG2  GLN  44           2HG      GLN  44   1.161  -8.409 -11.084
  143    HG3  GLN  44           3HG      GLN  44   2.651  -8.617 -11.991
  144   HE21  GLN  44          2HE2      GLN  44   0.324 -10.254 -10.053
  145   HE22  GLN  44          1HE2      GLN  44   1.179 -11.773  -9.888
  146    H    GLU  45           H        GLU  45   2.561  -5.503 -10.491
  147    HA   GLU  45           HA       GLU  45   0.987  -3.474  -9.442
  148    HB2  GLU  45           2HB      GLU  45   2.570  -3.919 -11.821
  149    HB3  GLU  45           3HB      GLU  45   1.081  -3.125 -12.307
  150    HG2  GLU  45           2HG      GLU  45   2.875  -2.140 -10.057
  151    HG3  GLU  45           3HG      GLU  45   3.006  -1.603 -11.730
  152    H    SER  46           H        SER  46  -0.291  -5.985 -11.736
  153    HA   SER  46           HA       SER  46  -2.760  -4.572 -12.141
  154    HG   SER  46           HG       SER  46  -2.144  -8.310 -11.816
  155    HB2  SER  46           2HB      SER  46  -3.629  -6.940 -12.701
  156    HB3  SER  46           3HB      SER  46  -2.367  -6.219 -13.702
  157    H    GLU  47           H        GLU  47  -1.653  -6.441  -9.336
  158    HA   GLU  47           HA       GLU  47  -4.371  -7.034  -8.344
  159    HB2  GLU  47           2HB      GLU  47  -1.469  -7.626  -7.586
  160    HB3  GLU  47           3HB      GLU  47  -2.731  -7.869  -6.463
  161    HG2  GLU  47           2HG      GLU  47  -2.320  -9.950  -7.537
  162    HG3  GLU  47           3HG      GLU  47  -3.883  -9.396  -8.149
  163    H    LEU  48           H        LEU  48  -1.449  -5.108  -7.706
  164    HA   LEU  48           HA       LEU  48  -2.469  -3.600  -5.482
  165    HG   LEU  48           HG       LEU  48  -0.078  -5.136  -6.003
  166    HB2  LEU  48           2HB      LEU  48  -0.390  -2.933  -7.573
  167    HB3  LEU  48           3HB      LEU  48  -0.561  -2.138  -6.136
  168   HD11  LEU  48          1HD1      LEU  48   2.266  -4.853  -6.080
  169   HD12  LEU  48          2HD1      LEU  48   1.618  -4.130  -7.555
  170   HD13  LEU  48          3HD1      LEU  48   2.123  -3.086  -6.221
  171   HD21  LEU  48          3HD2      LEU  48   1.230  -4.455  -4.079
  172   HD22  LEU  48          1HD2      LEU  48   0.820  -2.726  -4.399
  173   HD23  LEU  48          2HD2      LEU  48  -0.454  -3.956  -3.940
  174    H    ASN  49           H        ASN  49  -2.546  -3.117  -9.049
  175    HA   ASN  49           HA       ASN  49  -4.049  -0.672  -9.014
  176    HB2  ASN  49           2HB      ASN  49  -3.711  -2.833 -11.079
  177    HB3  ASN  49           3HB      ASN  49  -5.066  -1.742 -11.258
  178   HD21  ASN  49          2HD2      ASN  49  -1.545  -1.705 -10.801
  179   HD22  ASN  49          1HD2      ASN  49  -1.270  -0.235 -11.696
  180    H    GLU  50           H        GLU  50  -5.330  -4.055  -8.991
  181    HA   GLU  50           HA       GLU  50  -8.079  -3.319  -8.777
  182    HB2  GLU  50           2HB      GLU  50  -6.401  -5.677  -8.019
  183    HB3  GLU  50           3HB      GLU  50  -8.039  -5.605  -7.378
  184    HG2  GLU  50           2HG      GLU  50  -7.274  -5.394 -10.343
  185    HG3  GLU  50           3HG      GLU  50  -7.755  -6.886  -9.552
  186    H    ILE  51           H        ILE  51  -5.630  -3.563  -6.219
  187    HA   ILE  51           HA       ILE  51  -7.550  -3.201  -4.046
  188    HB   ILE  51           HB       ILE  51  -4.554  -3.327  -4.300
  189   HG12  ILE  51          2HG1      ILE  51  -6.481  -5.300  -2.967
  190   HG13  ILE  51          3HG1      ILE  51  -6.016  -5.429  -4.652
  191   HG21  ILE  51          1HG2      ILE  51  -4.975  -1.975  -2.294
  192   HG22  ILE  51          2HG2      ILE  51  -6.186  -3.156  -1.732
  193   HG23  ILE  51          3HG2      ILE  51  -4.459  -3.574  -1.796
  194   HD11  ILE  51          3HD1      ILE  51  -4.625  -6.944  -3.474
  195   HD12  ILE  51          1HD1      ILE  51  -3.585  -5.576  -3.903
  196   HD13  ILE  51          2HD1      ILE  51  -4.198  -5.755  -2.238
  197    H    PHE  52           H        PHE  52  -5.101  -1.095  -5.567
  198    HA   PHE  52           HA       PHE  52  -5.629   1.131  -3.735
  199    HD1  PHE  52           HD1      PHE  52  -3.820   1.767  -2.219
  200    HD2  PHE  52           HD2      PHE  52  -2.126  -0.949  -5.088
  201    HE1  PHE  52           HE1      PHE  52  -2.636   0.575  -0.400
  202    HE2  PHE  52           HE2      PHE  52  -0.889  -2.054  -3.258
  203    HZ   PHE  52           HZ       PHE  52  -1.071  -1.310  -1.027
  204    HB2  PHE  52           2HB      PHE  52  -3.615   0.673  -5.831
  205    HB3  PHE  52           3HB      PHE  52  -3.694   2.158  -4.876
  206    H    GLY  53           H        GLY  53  -5.973   0.340  -7.186
  207    HA2  GLY  53           2HA      GLY  53  -6.345   2.831  -8.369
  208    HA3  GLY  53           3HA      GLY  53  -7.122   1.332  -8.878
  209    HA   PRO  54           HA       PRO  54 -11.071   2.674  -7.040
  210    HB2  PRO  54           2HB      PRO  54 -10.689   1.597  -4.249
  211    HB3  PRO  54           3HB      PRO  54 -12.085   1.407  -5.360
  212    HG2  PRO  54           2HG      PRO  54 -10.357  -0.641  -5.007
  213    HG3  PRO  54           3HG      PRO  54 -10.902  -0.229  -6.670
  214    HD2  PRO  54           2HD      PRO  54  -8.396   0.682  -5.244
  215    HD3  PRO  54           3HD      PRO  54  -8.481  -0.134  -6.818
  216    H    PHE  55           H        PHE  55  -8.280   3.372  -4.968
  217    HA   PHE  55           HA       PHE  55  -9.513   5.601  -3.506
  218    HD1  PHE  55           HD1      PHE  55  -9.701   3.842  -2.237
  219    HD2  PHE  55           HD2      PHE  55  -5.448   3.247  -2.614
  220    HE1  PHE  55           HE1      PHE  55  -9.931   1.614  -1.172
  221    HE2  PHE  55           HE2      PHE  55  -5.677   1.104  -1.282
  222    HZ   PHE  55           HZ       PHE  55  -7.915   0.283  -0.649
  223    HB2  PHE  55           2HB      PHE  55  -6.559   4.970  -3.794
  224    HB3  PHE  55           3HB      PHE  55  -7.353   5.852  -2.519
  225    H    GLY  56           H        GLY  56  -7.668   5.150  -6.426
  226    HA2  GLY  56           2HA      GLY  56  -8.244   6.909  -8.037
  227    HA3  GLY  56           3HA      GLY  56  -7.661   8.080  -6.851
  228    HA   PRO  57           HA       PRO  57  -3.679   7.743  -8.764
  229    HB2  PRO  57           2HB      PRO  57  -1.998   8.738  -6.878
  230    HB3  PRO  57           3HB      PRO  57  -3.327   9.726  -7.560
  231    HG2  PRO  57           2HG      PRO  57  -3.323   8.153  -4.953
  232    HG3  PRO  57           3HG      PRO  57  -3.786   9.867  -5.210
  233    HD2  PRO  57           2HD      PRO  57  -5.613   7.812  -5.163
  234    HD3  PRO  57           3HD      PRO  57  -5.835   9.268  -6.173
  235    H    MET  58           H        MET  58  -1.591   6.822  -8.699
  236    HA   MET  58           HA       MET  58  -0.509   5.061  -6.618
  237    HB2  MET  58           2HB      MET  58  -0.345   3.748  -9.233
  238    HB3  MET  58           3HB      MET  58  -0.263   3.149  -7.617
  239    HG2  MET  58           2HG      MET  58  -2.767   3.428  -7.411
  240    HG3  MET  58           3HG      MET  58  -2.814   3.860  -9.127
  241    HE1  MET  58           3HE      MET  58  -1.835   1.517  -6.432
  242    HE2  MET  58           1HE      MET  58  -1.866  -0.124  -7.122
  243    HE3  MET  58           2HE      MET  58  -0.480   0.938  -7.440
  244    H    LYS  59           H        LYS  59   1.092   6.561  -6.490
  245    HA   LYS  59           HA       LYS  59   2.265   7.772  -8.883
  246    HB2  LYS  59           2HB      LYS  59   1.148   8.771  -6.789
  247    HB3  LYS  59           3HB      LYS  59   2.601   8.289  -5.913
  248    HG2  LYS  59           2HG      LYS  59   2.630  10.114  -8.327
  249    HG3  LYS  59           3HG      LYS  59   2.222  10.603  -6.691
  250    HD2  LYS  59           2HD      LYS  59   4.889   9.771  -7.714
  251    HD3  LYS  59           3HD      LYS  59   4.330  11.199  -6.859
  252    HE2  LYS  59           2HE      LYS  59   4.245  10.134  -4.765
  253    HE3  LYS  59           3HE      LYS  59   4.553   8.536  -5.496
  254    HZ1  LYS  59           3HZ      LYS  59   6.728   9.415  -6.242
  255    HZ2  LYS  59           1HZ      LYS  59   6.481  10.784  -5.377
  256    HZ3  LYS  59           2HZ      LYS  59   6.602   9.324  -4.627
  257    H    GLU  60           H        GLU  60   2.981   5.480  -6.416
  258    HA   GLU  60           HA       GLU  60   5.185   4.406  -7.854
  259    HB2  GLU  60           2HB      GLU  60   5.966   6.301  -5.803
  260    HB3  GLU  60           3HB      GLU  60   6.453   4.688  -5.291
  261    HG2  GLU  60           2HG      GLU  60   7.068   5.624  -8.115
  262    HG3  GLU  60           3HG      GLU  60   7.980   6.236  -6.755
  263    H    VAL  61           H        VAL  61   6.069   2.551  -7.001
  264    HA   VAL  61           HA       VAL  61   4.286   0.861  -5.381
  265    HB   VAL  61           HB       VAL  61   4.462   0.164  -8.354
  266   HG11  VAL  61          1HG1      VAL  61   2.610  -1.229  -7.895
  267   HG12  VAL  61          2HG1      VAL  61   3.680  -1.402  -6.481
  268   HG13  VAL  61          3HG1      VAL  61   2.218  -0.410  -6.393
  269   HG21  VAL  61          3HG2      VAL  61   2.266   1.014  -8.890
  270   HG22  VAL  61          1HG2      VAL  61   2.177   1.877  -7.354
  271   HG23  VAL  61          2HG2      VAL  61   3.393   2.323  -8.576
  272    H    LYS  62           H        LYS  62   6.243   0.725  -4.343
  273    HA   LYS  62           HA       LYS  62   8.510  -0.674  -5.631
  274    HB2  LYS  62           2HB      LYS  62   7.898  -0.156  -2.708
  275    HB3  LYS  62           3HB      LYS  62   9.464  -0.567  -3.353
  276    HG2  LYS  62           2HG      LYS  62   8.225   1.959  -4.479
  277    HG3  LYS  62           3HG      LYS  62   8.526   1.982  -2.780
  278    HD2  LYS  62           2HD      LYS  62  10.415   2.899  -4.121
  279    HD3  LYS  62           3HD      LYS  62  10.918   1.502  -3.173
  280    HE2  LYS  62           2HE      LYS  62  11.909   1.317  -5.359
  281    HE3  LYS  62           3HE      LYS  62  10.696   0.052  -5.193
  282    HZ1  LYS  62           3HZ      LYS  62  10.518   1.151  -7.353
  283    HZ2  LYS  62           1HZ      LYS  62   9.167   1.539  -6.511
  284    HZ3  LYS  62           2HZ      LYS  62  10.320   2.625  -6.668
  285    H    ILE  63           H        ILE  63   8.513  -2.854  -5.866
  286    HA   ILE  63           HA       ILE  63   6.687  -4.528  -4.220
  287    HB   ILE  63           HB       ILE  63   6.971  -4.853  -7.238
  288   HG12  ILE  63          2HG1      ILE  63   4.556  -3.799  -5.703
  289   HG13  ILE  63          3HG1      ILE  63   5.654  -2.801  -6.643
  290   HG21  ILE  63          1HG2      ILE  63   5.110  -6.211  -5.223
  291   HG22  ILE  63          2HG2      ILE  63   5.158  -6.530  -6.972
  292   HG23  ILE  63          3HG2      ILE  63   6.530  -6.967  -5.969
  293   HD11  ILE  63          3HD1      ILE  63   3.683  -3.184  -7.946
  294   HD12  ILE  63          1HD1      ILE  63   5.047  -4.012  -8.724
  295   HD13  ILE  63          2HD1      ILE  63   3.829  -4.920  -7.781
  296    H    LEU  64           H        LEU  64   7.511  -6.153  -3.374
  297    HA   LEU  64           HA       LEU  64  10.221  -7.144  -4.090
  298    HG   LEU  64           HG       LEU  64  10.804  -4.762  -1.090
  299    HB2  LEU  64           2HB      LEU  64   9.411  -6.607  -1.288
  300    HB3  LEU  64           3HB      LEU  64  10.966  -6.990  -1.904
  301   HD11  LEU  64          1HD1      LEU  64  11.895  -3.604  -2.891
  302   HD12  LEU  64          2HD1      LEU  64  12.420  -5.303  -2.802
  303   HD13  LEU  64          3HD1      LEU  64  11.254  -4.791  -4.054
  304   HD21  LEU  64          3HD2      LEU  64   9.675  -2.980  -1.743
  305   HD22  LEU  64          1HD2      LEU  64   9.315  -3.608  -3.327
  306   HD23  LEU  64          2HD2      LEU  64   8.412  -4.232  -1.913
  307    H    ASN  65           H        ASN  65  10.585  -8.955  -2.292
  308    HA   ASN  65           HA       ASN  65   9.539 -11.343  -3.056
  309    HB2  ASN  65           2HB      ASN  65  10.617 -10.692  -0.338
  310    HB3  ASN  65           3HB      ASN  65  10.832 -12.228  -1.184
  311   HD21  ASN  65          2HD2      ASN  65  12.435  -9.398  -0.381
  312   HD22  ASN  65          1HD2      ASN  65  13.593  -9.373  -1.699
  313    H    GLY  66           H        GLY  66   7.081 -10.207  -2.560
  314    HA2  GLY  66           2HA      GLY  66   5.088 -11.029  -1.710
  315    HA3  GLY  66           3HA      GLY  66   5.805 -11.694  -0.275
  316    H    PHE  67           H        PHE  67   6.598  -8.492  -1.576
  317    HA   PHE  67           HA       PHE  67   4.976  -7.121   0.545
  318    HD1  PHE  67           HD2      PHE  67   6.020  -7.603   2.889
  319    HD2  PHE  67           HD1      PHE  67   9.424  -8.143   0.325
  320    HE1  PHE  67           HE2      PHE  67   6.730  -9.538   4.271
  321    HE2  PHE  67           HE1      PHE  67  10.173 -10.036   1.742
  322    HZ   PHE  67           HZ       PHE  67   8.838 -10.745   3.705
  323    HB2  PHE  67           2HB      PHE  67   7.807  -6.404  -0.140
  324    HB3  PHE  67           3HB      PHE  67   6.911  -5.757   1.146
  325    H    ALA  68           H        ALA  68   4.227  -5.126   0.034
  326    HA   ALA  68           HA       ALA  68   5.260  -3.708  -2.382
  327    HB1  ALA  68           1HB      ALA  68   2.370  -4.292  -1.785
  328    HB2  ALA  68           2HB      ALA  68   2.966  -3.111  -2.977
  329    HB3  ALA  68           3HB      ALA  68   3.330  -4.841  -3.171
  330    H    PHE  69           H        PHE  69   5.607  -1.706  -2.092
  331    HA   PHE  69           HA       PHE  69   4.434  -0.216   0.173
  332    HD1  PHE  69           HD1      PHE  69   7.757  -2.184  -0.854
  333    HD2  PHE  69           HD2      PHE  69   6.780  -0.069   2.743
  334    HE1  PHE  69           HE1      PHE  69   8.786  -4.042   0.448
  335    HE2  PHE  69           HE2      PHE  69   7.804  -1.926   4.089
  336    HZ   PHE  69           HZ       PHE  69   8.776  -3.911   2.945
  337    HB2  PHE  69           2HB      PHE  69   7.270   0.326  -0.748
  338    HB3  PHE  69           3HB      PHE  69   6.444   0.957   0.646
  339    H    VAL  70           H        VAL  70   2.884   0.341  -1.152
  340    HA   VAL  70           HA       VAL  70   3.496   1.760  -3.651
  341    HB   VAL  70           HB       VAL  70   0.735   1.438  -2.404
  342   HG11  VAL  70          1HG1      VAL  70   1.684   1.338  -5.273
  343   HG12  VAL  70          2HG1      VAL  70   0.020   1.265  -4.740
  344   HG13  VAL  70          3HG1      VAL  70   0.917   2.811  -4.575
  345   HG21  VAL  70          3HG2      VAL  70   1.603  -0.781  -2.533
  346   HG22  VAL  70          1HG2      VAL  70   0.643  -0.526  -4.001
  347   HG23  VAL  70          2HG2      VAL  70   2.410  -0.375  -4.122
  348    H    GLU  71           H        GLU  71   2.623   3.962  -3.995
  349    HA   GLU  71           HA       GLU  71   2.928   5.724  -1.612
  350    HB2  GLU  71           2HB      GLU  71   5.194   4.940  -2.515
  351    HB3  GLU  71           3HB      GLU  71   4.755   5.715  -4.031
  352    HG2  GLU  71           2HG      GLU  71   4.640   7.903  -2.963
  353    HG3  GLU  71           3HG      GLU  71   4.950   7.181  -1.387
  354    H    PHE  72           H        PHE  72   2.078   7.681  -1.929
  355    HA   PHE  72           HA       PHE  72   1.020   8.467  -4.617
  356    HD1  PHE  72           HD2      PHE  72  -0.465   6.563  -4.881
  357    HD2  PHE  72           HD1      PHE  72  -1.933   7.612  -0.991
  358    HE1  PHE  72           HE2      PHE  72  -1.753   4.438  -4.787
  359    HE2  PHE  72           HE1      PHE  72  -3.342   5.586  -0.961
  360    HZ   PHE  72           HZ       PHE  72  -3.257   3.989  -2.873
  361    HB2  PHE  72           2HB      PHE  72  -0.373   9.029  -1.995
  362    HB3  PHE  72           3HB      PHE  72  -0.964   9.227  -3.615
  363    H    GLU  73           H        GLU  73   0.429  10.799  -4.744
  364    HA   GLU  73           HA       GLU  73   2.486  12.478  -3.362
  365    HB2  GLU  73           2HB      GLU  73   2.400  14.031  -5.161
  366    HB3  GLU  73           3HB      GLU  73   2.851  12.419  -5.675
  367    HG2  GLU  73           2HG      GLU  73   0.503  12.078  -6.533
  368    HG3  GLU  73           3HG      GLU  73   0.083  13.690  -5.982
  369    H    GLU  74           H        GLU  74  -0.479  11.684  -2.686
  370    HA   GLU  74           HA       GLU  74  -1.543  14.380  -1.924
  371    HB2  GLU  74           2HB      GLU  74  -2.690  13.563  -3.932
  372    HB3  GLU  74           3HB      GLU  74  -2.942  11.991  -3.194
  373    HG2  GLU  74           2HG      GLU  74  -4.363  13.189  -1.428
  374    HG3  GLU  74           3HG      GLU  74  -4.280  14.613  -2.452
  375    H    ALA  75           H        ALA  75  -1.380  14.370   0.356
  376    HA   ALA  75           HA       ALA  75  -1.213  11.990   1.890
  377    HB1  ALA  75           1HB      ALA  75  -1.518  13.459   3.830
  378    HB2  ALA  75           2HB      ALA  75  -0.396  14.174   2.657
  379    HB3  ALA  75           3HB      ALA  75  -2.071  14.776   2.776
  380    H    GLU  76           H        GLU  76  -4.082  13.783   0.876
  381    HA   GLU  76           HA       GLU  76  -6.035  12.412   2.475
  382    HB2  GLU  76           2HB      GLU  76  -6.323  13.560  -0.309
  383    HB3  GLU  76           3HB      GLU  76  -7.644  13.179   0.780
  384    HG2  GLU  76           2HG      GLU  76  -5.545  15.332   1.300
  385    HG3  GLU  76           3HG      GLU  76  -7.164  15.605   0.674
  386    H    SER  77           H        SER  77  -4.246  11.374  -0.380
  387    HA   SER  77           HA       SER  77  -6.163   9.301  -1.144
  388    HG   SER  77           HG       SER  77  -2.698  10.311  -1.524
  389    HB2  SER  77           2HB      SER  77  -4.709   8.771  -2.854
  390    HB3  SER  77           3HB      SER  77  -4.565  10.510  -2.673
  391    H    ALA  78           H        ALA  78  -3.120   9.465   0.631
  392    HA   ALA  78           HA       ALA  78  -3.174   6.677   1.442
  393    HB1  ALA  78           1HB      ALA  78  -1.633   7.435   3.268
  394    HB2  ALA  78           2HB      ALA  78  -1.130   7.829   1.620
  395    HB3  ALA  78           3HB      ALA  78  -1.819   9.103   2.671
  396    H    ALA  79           H        ALA  79  -4.474   9.686   3.007
  397    HA   ALA  79           HA       ALA  79  -5.549   8.580   5.340
  398    HB1  ALA  79           1HB      ALA  79  -6.857  10.708   3.613
  399    HB2  ALA  79           2HB      ALA  79  -7.060  10.453   5.355
  400    HB3  ALA  79           3HB      ALA  79  -5.492  10.997   4.728
  401    H    LYS  80           H        LYS  80  -7.280   8.850   2.172
  402    HA   LYS  80           HA       LYS  80  -9.426   7.199   3.144
  403    HB2  LYS  80           2HB      LYS  80 -10.292   7.142   0.910
  404    HB3  LYS  80           3HB      LYS  80  -9.694   8.777   1.259
  405    HG2  LYS  80           2HG      LYS  80  -7.649   8.228  -0.037
  406    HG3  LYS  80           3HG      LYS  80  -8.331   6.647  -0.442
  407    HD2  LYS  80           2HD      LYS  80  -9.645   7.530  -2.059
  408    HD3  LYS  80           3HD      LYS  80 -10.255   8.816  -1.036
  409    HE2  LYS  80           2HE      LYS  80  -7.561   8.914  -2.433
  410    HE3  LYS  80           3HE      LYS  80  -9.046   9.516  -3.155
  411    HZ1  LYS  80           3HZ      LYS  80  -7.718  11.267  -2.024
  412    HZ2  LYS  80           1HZ      LYS  80  -9.248  11.152  -1.443
  413    HZ3  LYS  80           2HZ      LYS  80  -8.001  10.542  -0.571
  414    H    ALA  81           H        ALA  81  -6.493   6.326   1.273
  415    HA   ALA  81           HA       ALA  81  -7.264   3.680   0.823
  416    HB1  ALA  81           1HB      ALA  81  -4.854   3.157   0.500
  417    HB2  ALA  81           2HB      ALA  81  -5.285   4.698  -0.222
  418    HB3  ALA  81           3HB      ALA  81  -4.410   4.658   1.317
  419    H    ILE  82           H        ILE  82  -5.673   5.105   3.697
  420    HA   ILE  82           HA       ILE  82  -5.423   2.825   5.326
  421    HB   ILE  82           HB       ILE  82  -6.027   5.687   6.114
  422   HG12  ILE  82          2HG1      ILE  82  -3.377   4.431   6.664
  423   HG13  ILE  82          3HG1      ILE  82  -3.687   4.864   4.985
  424   HG21  ILE  82          1HG2      ILE  82  -5.184   5.086   8.381
  425   HG22  ILE  82          2HG2      ILE  82  -6.684   4.261   7.996
  426   HG23  ILE  82          3HG2      ILE  82  -5.141   3.383   7.898
  427   HD11  ILE  82          3HD1      ILE  82  -4.231   7.154   5.719
  428   HD12  ILE  82          1HD1      ILE  82  -3.864   6.734   7.389
  429   HD13  ILE  82          2HD1      ILE  82  -2.576   6.700   6.153
  430    H    GLU  83           H        GLU  83  -8.137   5.234   5.356
  431    HA   GLU  83           HA       GLU  83  -9.725   3.689   7.133
  432    HB2  GLU  83           2HB      GLU  83 -10.509   5.784   5.104
  433    HB3  GLU  83           3HB      GLU  83 -11.609   5.128   6.324
  434    HG2  GLU  83           2HG      GLU  83  -8.993   6.592   6.926
  435    HG3  GLU  83           3HG      GLU  83 -10.601   7.291   6.982
  436    H    GLU  84           H        GLU  84  -9.429   3.384   3.649
  437    HA   GLU  84           HA       GLU  84 -11.830   1.851   3.137
  438    HB2  GLU  84           2HB      GLU  84  -9.204   2.211   1.638
  439    HB3  GLU  84           3HB      GLU  84 -10.512   1.224   1.015
  440    HG2  GLU  84           2HG      GLU  84 -11.067   4.060   1.784
  441    HG3  GLU  84           3HG      GLU  84 -10.209   3.754   0.281
  442    H    VAL  85           H        VAL  85  -8.403   0.899   3.644
  443    HA   VAL  85           HA       VAL  85  -9.264  -1.940   3.962
  444    HB   VAL  85           HB       VAL  85  -9.053  -1.290   1.578
  445   HG11  VAL  85          1HG1      VAL  85  -7.199   0.181   1.609
  446   HG12  VAL  85          2HG1      VAL  85  -6.132  -1.116   2.240
  447   HG13  VAL  85          3HG1      VAL  85  -6.789  -1.216   0.594
  448   HG21  VAL  85          3HG2      VAL  85  -7.960  -3.332   0.864
  449   HG22  VAL  85          1HG2      VAL  85  -7.324  -3.582   2.493
  450   HG23  VAL  85          2HG2      VAL  85  -9.070  -3.605   2.216
  451    H    HIS  86           H        HIS  86  -7.347   0.396   5.384
  452    HA   HIS  86           HA       HIS  86  -5.105  -1.315   6.154
  453    HD1  HIS  86           HD1      HIS  86  -2.691   1.257   7.240
  454    HD2  HIS  86           HD2      HIS  86  -5.394  -0.494   9.926
  455    HE1  HIS  86           HE1      HIS  86  -1.344   0.695   9.347
  456    HB2  HIS  86           2HB      HIS  86  -5.091   1.157   6.363
  457    HB3  HIS  86           3HB      HIS  86  -6.289   1.053   7.654
  458    H    GLY  87           H        GLY  87  -5.304  -3.069   7.315
  459    HA2  GLY  87           2HA      GLY  87  -5.455  -4.151   9.429
  460    HA3  GLY  87           3HA      GLY  87  -6.753  -3.064   9.927
  461    H    LYS  88           H        LYS  88  -7.645  -3.669   6.975
  462    HA   LYS  88           HA       LYS  88  -9.496  -5.900   7.380
  463    HB2  LYS  88           2HB      LYS  88  -8.809  -3.834   5.278
  464    HB3  LYS  88           3HB      LYS  88  -9.610  -5.256   4.777
  465    HG2  LYS  88           2HG      LYS  88 -11.324  -3.627   5.203
  466    HG3  LYS  88           3HG      LYS  88 -11.415  -4.777   6.528
  467    HD2  LYS  88           2HD      LYS  88 -11.673  -2.770   7.643
  468    HD3  LYS  88           3HD      LYS  88  -9.937  -2.994   7.833
  469    HE2  LYS  88           2HE      LYS  88  -9.607  -1.538   5.803
  470    HE3  LYS  88           3HE      LYS  88 -11.351  -1.262   5.757
  471    HZ1  LYS  88           3HZ      LYS  88 -11.077  -0.327   8.060
  472    HZ2  LYS  88           1HZ      LYS  88  -9.447  -0.444   7.888
  473    HZ3  LYS  88           2HZ      LYS  88 -10.331   0.545   6.901
  474    H    SER  89           H        SER  89  -9.300  -7.834   6.388
  475    HA   SER  89           HA       SER  89  -6.500  -8.639   5.824
  476    HG   SER  89           HG       SER  89  -8.142  -9.253   8.202
  477    HB2  SER  89           2HB      SER  89  -8.839 -10.427   6.332
  478    HB3  SER  89           3HB      SER  89  -7.165 -10.922   6.103
  479    H    PHE  90           H        PHE  90  -5.719  -9.001   3.989
  480    HA   PHE  90           HA       PHE  90  -7.459  -9.819   1.669
  481    HD1  PHE  90           HD2      PHE  90  -4.521 -10.032  -0.551
  482    HD2  PHE  90           HD1      PHE  90  -7.669  -7.145   0.064
  483    HE1  PHE  90           HE2      PHE  90  -5.141 -10.199  -2.954
  484    HE2  PHE  90           HE1      PHE  90  -8.270  -7.297  -2.351
  485    HZ   PHE  90           HZ       PHE  90  -7.046  -8.867  -3.831
  486    HB2  PHE  90           2HB      PHE  90  -6.146  -7.605   1.755
  487    HB3  PHE  90           3HB      PHE  90  -4.716  -8.583   1.631
  488    H    ALA  91           H        ALA  91  -6.742 -11.576   0.465
  489    HA   ALA  91           HA       ALA  91  -6.077 -13.678   0.109
  490    HB1  ALA  91           1HB      ALA  91  -4.021 -12.485  -0.483
  491    HB2  ALA  91           2HB      ALA  91  -3.405 -12.684   1.162
  492    HB3  ALA  91           3HB      ALA  91  -3.674 -14.111   0.148
  493    H    ASN  92           H        ASN  92  -4.526 -12.972   3.258
  494    HA   ASN  92           HA       ASN  92  -6.048 -15.041   4.662
  495    HB2  ASN  92           2HB      ASN  92  -4.141 -16.389   5.296
  496    HB3  ASN  92           3HB      ASN  92  -4.169 -16.298   3.541
  497   HD21  ASN  92          2HD2      ASN  92  -2.228 -15.835   6.318
  498   HD22  ASN  92          1HD2      ASN  92  -0.886 -15.060   5.504
  499    H    GLN  93           H        GLN  93  -4.512 -11.986   4.764
  500    HA   GLN  93           HA       GLN  93  -4.610 -11.709   7.659
  501    HB2  GLN  93           2HB      GLN  93  -2.189 -11.447   8.034
  502    HB3  GLN  93           3HB      GLN  93  -2.603 -13.072   7.551
  503    HG2  GLN  93           2HG      GLN  93  -1.878 -12.468   5.209
  504    HG3  GLN  93           3HG      GLN  93  -1.280 -10.931   5.858
  505   HE21  GLN  93          1HE2      GLN  93   0.146 -13.349   4.554
  506   HE22  GLN  93          2HE2      GLN  93   1.369 -13.744   5.751
  507    HA   PRO  94           HA       PRO  94  -4.986  -7.658   6.415
  508    HB2  PRO  94           2HB      PRO  94  -4.314  -6.099   8.623
  509    HB3  PRO  94           3HB      PRO  94  -5.709  -7.214   8.604
  510    HG2  PRO  94           2HG      PRO  94  -2.890  -7.771   9.602
  511    HG3  PRO  94           3HG      PRO  94  -4.439  -8.039  10.476
  512    HD2  PRO  94           2HD      PRO  94  -3.153 -10.011   9.186
  513    HD3  PRO  94           3HD      PRO  94  -4.934  -9.898   9.083
  514    H    LEU  95           H        LEU  95  -4.563  -5.687   5.978
  515    HA   LEU  95           HA       LEU  95  -1.956  -5.083   4.784
  516    HG   LEU  95           HG       LEU  95  -3.040  -4.718   2.269
  517    HB2  LEU  95           2HB      LEU  95  -4.894  -4.369   4.583
  518    HB3  LEU  95           3HB      LEU  95  -3.749  -3.256   3.918
  519   HD11  LEU  95          1HD1      LEU  95  -3.251  -6.937   1.990
  520   HD12  LEU  95          2HD1      LEU  95  -2.493  -6.638   3.531
  521   HD13  LEU  95          3HD1      LEU  95  -4.212  -7.119   3.520
  522   HD21  LEU  95          3HD2      LEU  95  -5.912  -5.480   2.632
  523   HD22  LEU  95          1HD2      LEU  95  -5.271  -4.073   1.701
  524   HD23  LEU  95          2HD2      LEU  95  -4.933  -5.730   1.159
  525    H    GLU  96           H        GLU  96  -0.712  -3.412   5.202
  526    HA   GLU  96           HA       GLU  96  -1.407  -1.573   7.451
  527    HB2  GLU  96           2HB      GLU  96   0.323  -3.373   7.814
  528    HB3  GLU  96           3HB      GLU  96   1.383  -2.523   6.715
  529    HG2  GLU  96           2HG      GLU  96   1.351  -0.527   8.120
  530    HG3  GLU  96           3HG      GLU  96   0.230  -1.316   9.241
  531    H    VAL  97           H        VAL  97  -2.428  -0.957   5.232
  532    HA   VAL  97           HA       VAL  97  -0.987   0.699   3.357
  533    HB   VAL  97           HB       VAL  97  -3.888   0.612   4.336
  534   HG11  VAL  97          1HG1      VAL  97  -4.519   1.800   2.250
  535   HG12  VAL  97          2HG1      VAL  97  -3.571   2.838   3.328
  536   HG13  VAL  97          3HG1      VAL  97  -2.830   2.091   1.895
  537   HG21  VAL  97          3HG2      VAL  97  -2.448  -0.483   1.853
  538   HG22  VAL  97          1HG2      VAL  97  -3.335  -1.392   3.095
  539   HG23  VAL  97          2HG2      VAL  97  -4.195  -0.386   1.927
  540    H    VAL  98           H        VAL  98   0.142   2.502   4.113
  541    HA   VAL  98           HA       VAL  98  -1.304   4.242   6.046
  542    HB   VAL  98           HB       VAL  98  -0.328   1.976   7.013
  543   HG11  VAL  98          1HG1      VAL  98   2.025   2.185   6.513
  544   HG12  VAL  98          2HG1      VAL  98   2.138   3.467   7.767
  545   HG13  VAL  98          3HG1      VAL  98   1.586   1.861   8.173
  546   HG21  VAL  98          3HG2      VAL  98  -0.552   4.554   8.446
  547   HG22  VAL  98          1HG2      VAL  98  -1.780   3.303   8.045
  548   HG23  VAL  98          2HG2      VAL  98  -0.469   2.926   9.188
  549    H    TYR  99           H        TYR  99   1.415   4.859   7.192
  550    HA   TYR  99           HA       TYR  99   2.435   6.799   5.164
  551    HD1  TYR  99           HD1      TYR  99   0.481   7.856   5.391
  552    HD2  TYR  99           HD2      TYR  99   1.775   8.842   9.389
  553    HE1  TYR  99           HE1      TYR  99  -1.465   9.318   5.633
  554    HE2  TYR  99           HE2      TYR  99  -0.215  10.321   9.644
  555    HH   TYR  99           HH       TYR  99  -2.617  10.759   7.017
  556    HB2  TYR  99           2HB      TYR  99   2.740   6.886   8.200
  557    HB3  TYR  99           3HB      TYR  99   3.369   8.045   7.042
  558    H    SER 100           H        SER 100   2.894   4.278   4.687
  559    HA   SER 100           HA       SER 100   4.595   2.624   6.006
  560    HG   SER 100           HG       SER 100   2.475   2.537   4.041
  561    HB2  SER 100           2HB      SER 100   4.409   2.664   3.063
  562    HB3  SER 100           3HB      SER 100   5.130   1.488   4.125
  563    H    LYS 101           H        LYS 101   6.894   2.182   6.103
  564    HA   LYS 101           HA       LYS 101   8.605   4.345   4.989
  565    HB2  LYS 101           2HB      LYS 101   7.803   4.764   7.371
  566    HB3  LYS 101           3HB      LYS 101   8.812   3.414   7.871
  567    HG2  LYS 101           2HG      LYS 101   9.934   5.533   8.264
  568    HG3  LYS 101           3HG      LYS 101  10.829   4.623   7.051
  569    HD2  LYS 101           2HD      LYS 101   9.872   6.057   5.252
  570    HD3  LYS 101           3HD      LYS 101   8.866   6.886   6.452
  571    HE2  LYS 101           2HE      LYS 101  10.940   7.647   7.612
  572    HE3  LYS 101           3HE      LYS 101  11.915   6.835   6.376
  573    HZ1  LYS 101           3HZ      LYS 101  11.006   8.320   4.712
  574    HZ2  LYS 101           1HZ      LYS 101   9.995   9.035   5.818
  575    HZ3  LYS 101           2HZ      LYS 101  11.615   9.217   5.924
  576    H    LEU 102           H        LEU 102  10.529   4.116   4.641
  577    HA   LEU 102           HA       LEU 102  12.262   1.823   5.014
  578    HG   LEU 102           HG       LEU 102  13.432   0.789   3.037
  579    HB2  LEU 102           2HB      LEU 102  10.825   1.381   2.997
  580    HB3  LEU 102           3HB      LEU 102  11.378   2.864   2.260
  581   HD11  LEU 102          1HD1      LEU 102  11.682  -0.561   2.004
  582   HD12  LEU 102          2HD1      LEU 102  11.615   0.547   0.616
  583   HD13  LEU 102          3HD1      LEU 102  13.078  -0.419   0.922
  584   HD21  LEU 102          3HD2      LEU 102  13.105   2.499   0.523
  585   HD22  LEU 102          1HD2      LEU 102  14.071   2.994   1.920
  586   HD23  LEU 102          2HD2      LEU 102  14.535   1.557   0.996
  587    HA   PRO 103           HA       PRO 103  14.952   5.197   5.789
  588    HB2  PRO 103           2HB      PRO 103  16.936   4.120   3.774
  589    HB3  PRO 103           3HB      PRO 103  17.247   4.749   5.426
  590    HG2  PRO 103           2HG      PRO 103  17.048   2.097   5.072
  591    HG3  PRO 103           3HG      PRO 103  16.154   2.857   6.432
  592    HD2  PRO 103           2HD      PRO 103  15.130   2.023   3.723
  593    HD3  PRO 103           3HD      PRO 103  14.389   1.766   5.332
  594    H    ALA 104           H        ALA 104  13.385   5.692   3.046
  595    HA   ALA 104           HA       ALA 104  14.313   8.430   2.801
  596    HB1  ALA 104           1HB      ALA 104  15.790   7.358   1.148
  597    HB2  ALA 104           2HB      ALA 104  14.385   6.623   0.342
  598    HB3  ALA 104           3HB      ALA 104  14.595   8.387   0.344
  Start of MODEL   15
    1    H    GLU  28           H        GLU  28   4.641  13.901   7.299
    2    HA   GLU  28           HA       GLU  28   6.861  14.115   8.268
    3    HB2  GLU  28           2HB      GLU  28   5.822  12.322  10.487
    4    HB3  GLU  28           3HB      GLU  28   7.406  13.078  10.346
    5    HG2  GLU  28           2HG      GLU  28   4.761  14.384  11.045
    6    HG3  GLU  28           3HG      GLU  28   6.203  14.243  12.044
    7    H    LEU  29           H        LEU  29   8.319  12.012   8.632
    8    HA   LEU  29           HA       LEU  29   9.075   9.963   8.032
    9    HG   LEU  29           HG       LEU  29   6.565   7.129   8.495
   10    HB2  LEU  29           2HB      LEU  29   6.895   9.422   9.252
   11    HB3  LEU  29           3HB      LEU  29   6.174   9.181   7.685
   12   HD11  LEU  29          1HD1      LEU  29   7.546   7.454   6.109
   13   HD12  LEU  29          2HD1      LEU  29   9.109   7.168   6.882
   14   HD13  LEU  29          3HD1      LEU  29   7.802   5.951   6.962
   15   HD21  LEU  29          3HD2      LEU  29   8.616   6.262   9.496
   16   HD22  LEU  29          1HD2      LEU  29   9.445   7.809   9.190
   17   HD23  LEU  29          2HD2      LEU  29   8.089   7.721  10.339
   18    H    SER  30           H        SER  30   6.337  10.459   5.924
   19    HA   SER  30           HA       SER  30   7.712  10.985   3.496
   20    HG   SER  30           HG       SER  30   8.906   8.783   4.154
   21    HB2  SER  30           2HB      SER  30   6.536   8.146   3.635
   22    HB3  SER  30           3HB      SER  30   6.959   9.038   2.166
   23    H    ASN  31           H        ASN  31   4.841  10.297   5.307
   24    HA   ASN  31           HA       ASN  31   2.705  10.921   5.164
   25    HB2  ASN  31           2HB      ASN  31   3.045  12.675   2.788
   26    HB3  ASN  31           3HB      ASN  31   1.999  12.858   4.161
   27   HD21  ASN  31          1HD2      ASN  31   5.001  13.684   2.737
   28   HD22  ASN  31          2HD2      ASN  31   5.510  14.756   4.035
   29    H    THR  32           H        THR  32   4.047   9.801   2.076
   30    HA   THR  32           HA       THR  32   1.344   8.848   1.260
   31    HB   THR  32           HB       THR  32   1.792   9.658  -0.978
   32    HG1  THR  32           1HG      THR  32   3.650  10.417  -1.562
   33   HG21  THR  32          1HG2      THR  32   2.490  11.975   0.805
   34   HG22  THR  32          2HG2      THR  32   1.603  11.970  -0.724
   35   HG23  THR  32          3HG2      THR  32   0.850  11.268   0.719
   36    H    ARG  33           H        ARG  33   2.847   6.793   2.332
   37    HA   ARG  33           HA       ARG  33   3.296   5.227  -0.141
   38    HE   ARG  33           HE       ARG  33   7.193   7.653  -1.509
   39    HB2  ARG  33           2HB      ARG  33   5.375   5.310   2.010
   40    HB3  ARG  33           3HB      ARG  33   5.210   4.066   0.818
   41    HG2  ARG  33           2HG      ARG  33   6.847   5.083  -0.130
   42    HG3  ARG  33           3HG      ARG  33   5.501   5.871  -0.949
   43    HD2  ARG  33           2HD      ARG  33   5.781   7.821   0.606
   44    HD3  ARG  33           3HD      ARG  33   7.111   6.937   1.400
   45   HH11  ARG  33          1HH2      ARG  33   8.970   7.933   1.549
   46   HH12  ARG  33          2HH2      ARG  33  10.425   8.300   0.669
   47   HH21  ARG  33          2HH1      ARG  33   8.924   8.136  -2.410
   48   HH22  ARG  33          1HH1      ARG  33  10.414   8.503  -1.529
   49    H    LEU  34           H        LEU  34   2.293   3.482  -0.157
   50    HA   LEU  34           HA       LEU  34   1.137   2.469   2.330
   51    HG   LEU  34           HG       LEU  34  -1.676   3.364   0.058
   52    HB2  LEU  34           2HB      LEU  34   0.255   1.688  -0.370
   53    HB3  LEU  34           3HB      LEU  34  -0.636   1.617   1.090
   54   HD11  LEU  34          1HD1      LEU  34  -0.784   4.238   2.278
   55   HD12  LEU  34          2HD1      LEU  34   0.409   5.151   1.343
   56   HD13  LEU  34          3HD1      LEU  34  -1.304   5.433   1.095
   57   HD21  LEU  34          3HD2      LEU  34  -0.293   5.247  -1.135
   58   HD22  LEU  34          1HD2      LEU  34   0.930   4.008  -1.243
   59   HD23  LEU  34          2HD2      LEU  34  -0.659   3.714  -1.933
   60    H    PHE  35           H        PHE  35   2.080   0.877   3.308
   61    HA   PHE  35           HA       PHE  35   3.979  -0.882   1.890
   62    HD1  PHE  35           HD2      PHE  35   5.348  -2.600   2.651
   63    HD2  PHE  35           HD1      PHE  35   5.238  -0.580   6.459
   64    HE1  PHE  35           HE2      PHE  35   6.722  -4.399   3.642
   65    HE2  PHE  35           HE1      PHE  35   6.603  -2.399   7.453
   66    HZ   PHE  35           HZ       PHE  35   7.351  -4.311   6.045
   67    HB2  PHE  35           2HB      PHE  35   5.041   0.332   3.467
   68    HB3  PHE  35           3HB      PHE  35   3.954   0.362   4.631
   69    H    VAL  36           H        VAL  36   2.902  -2.352   1.106
   70    HA   VAL  36           HA       VAL  36   0.637  -3.688   2.524
   71    HB   VAL  36           HB       VAL  36   1.061  -2.440  -0.187
   72   HG11  VAL  36          1HG1      VAL  36  -0.114  -4.038  -1.011
   73   HG12  VAL  36          2HG1      VAL  36  -1.022  -4.380   0.524
   74   HG13  VAL  36          3HG1      VAL  36  -1.407  -2.974  -0.507
   75   HG21  VAL  36          3HG2      VAL  36  -0.778  -0.985   0.535
   76   HG22  VAL  36          1HG2      VAL  36  -1.264  -2.153   1.796
   77   HG23  VAL  36          2HG2      VAL  36   0.175  -1.137   1.979
   78    H    ARG  37           H        ARG  37   1.705  -5.289   3.203
   79    HA   ARG  37           HA       ARG  37   3.314  -7.104   1.446
   80    HE   ARG  37           HE       ARG  37   4.546  -4.851   7.457
   81    HB2  ARG  37           2HB      ARG  37   4.748  -7.322   3.489
   82    HB3  ARG  37           3HB      ARG  37   4.668  -5.710   2.837
   83    HG2  ARG  37           2HG      ARG  37   3.605  -4.803   4.626
   84    HG3  ARG  37           3HG      ARG  37   2.569  -6.205   4.869
   85    HD2  ARG  37           2HD      ARG  37   4.315  -7.394   6.040
   86    HD3  ARG  37           3HD      ARG  37   5.466  -6.093   5.739
   87   HH11  ARG  37          2HH2      ARG  37   2.162  -7.431   6.963
   88   HH12  ARG  37          1HH2      ARG  37   0.927  -6.484   7.761
   89   HH21  ARG  37          2HH1      ARG  37   3.028  -3.971   8.771
   90   HH22  ARG  37          1HH1      ARG  37   1.510  -4.816   9.016
   91    HA   PRO  38           HA       PRO  38   0.757  -9.831   4.468
   92    HB2  PRO  38           2HB      PRO  38  -1.802 -10.125   3.587
   93    HB3  PRO  38           3HB      PRO  38  -1.357  -8.741   4.633
   94    HG2  PRO  38           2HG      PRO  38  -1.552  -8.750   1.637
   95    HG3  PRO  38           3HG      PRO  38  -2.295  -7.624   2.781
   96    HD2  PRO  38           2HD      PRO  38   0.036  -7.005   1.601
   97    HD3  PRO  38           3HD      PRO  38  -0.213  -6.618   3.329
   98    H    PHE  39           H        PHE  39   0.428  -9.482   1.020
   99    HA   PHE  39           HA       PHE  39  -0.375 -12.159   0.428
  100    HD1  PHE  39           HD2      PHE  39   1.278  -8.259  -0.845
  101    HD2  PHE  39           HD1      PHE  39  -2.734  -9.926  -0.789
  102    HE1  PHE  39           HE2      PHE  39   0.330  -6.046  -1.002
  103    HE2  PHE  39           HE1      PHE  39  -3.660  -7.634  -0.860
  104    HZ   PHE  39           HZ       PHE  39  -2.156  -5.688  -1.033
  105    HB2  PHE  39           2HB      PHE  39   0.782 -10.574  -1.772
  106    HB3  PHE  39           3HB      PHE  39  -0.800 -11.302  -1.624
  107    HA   PRO  40           HA       PRO  40   3.741 -13.627  -0.761
  108    HB2  PRO  40           2HB      PRO  40   3.103 -15.897  -2.207
  109    HB3  PRO  40           3HB      PRO  40   2.820 -15.796  -0.460
  110    HG2  PRO  40           2HG      PRO  40   0.842 -15.261  -2.690
  111    HG3  PRO  40           3HG      PRO  40   0.617 -16.320  -1.261
  112    HD2  PRO  40           2HD      PRO  40  -0.280 -13.717  -1.398
  113    HD3  PRO  40           3HD      PRO  40   0.246 -14.477   0.132
  114    H    LEU  41           H        LEU  41   4.266 -14.788  -3.320
  115    HA   LEU  41           HA       LEU  41   4.689 -12.624  -5.065
  116    HG   LEU  41           HG       LEU  41   6.832 -15.608  -5.943
  117    HB2  LEU  41           2HB      LEU  41   4.305 -15.564  -5.782
  118    HB3  LEU  41           3HB      LEU  41   5.103 -14.346  -6.759
  119   HD11  LEU  41          1HD1      LEU  41   6.688 -13.356  -3.910
  120   HD12  LEU  41          2HD1      LEU  41   8.147 -14.201  -4.472
  121   HD13  LEU  41          3HD1      LEU  41   7.231 -13.187  -5.601
  122   HD21  LEU  41          3HD2      LEU  41   5.520 -16.828  -4.163
  123   HD22  LEU  41          1HD2      LEU  41   7.203 -16.452  -3.776
  124   HD23  LEU  41          2HD2      LEU  41   5.915 -15.490  -3.052
  125    H    ASP  42           H        ASP  42   1.796 -14.463  -4.600
  126    HA   ASP  42           HA       ASP  42   0.436 -13.942  -7.050
  127    HB2  ASP  42           2HB      ASP  42  -0.642 -14.767  -4.334
  128    HB3  ASP  42           3HB      ASP  42  -1.495 -14.860  -5.865
  129    H    VAL  43           H        VAL  43   1.421 -11.433  -5.860
  130    HA   VAL  43           HA       VAL  43  -1.102  -9.958  -6.234
  131    HB   VAL  43           HB       VAL  43  -0.426  -9.832  -3.823
  132   HG11  VAL  43          1HG1      VAL  43   1.812  -8.019  -4.834
  133   HG12  VAL  43          2HG1      VAL  43   1.378  -8.318  -3.164
  134   HG13  VAL  43          3HG1      VAL  43   2.034  -9.639  -4.125
  135   HG21  VAL  43          3HG2      VAL  43  -1.952  -8.193  -4.846
  136   HG22  VAL  43          1HG2      VAL  43  -0.919  -7.408  -3.656
  137   HG23  VAL  43          2HG2      VAL  43  -0.590  -7.192  -5.375
  138    H    GLN  44           H        GLN  44  -1.027  -8.152  -7.457
  139    HA   GLN  44           HA       GLN  44   1.445  -7.448  -8.905
  140    HB2  GLN  44           2HB      GLN  44  -1.001  -8.616 -10.335
  141    HB3  GLN  44           3HB      GLN  44   0.460  -8.031 -11.104
  142    HG2  GLN  44           2HG      GLN  44   0.210 -10.536  -9.396
  143    HG3  GLN  44           3HG      GLN  44   0.359 -10.466 -11.139
  144   HE21  GLN  44          2HE2      GLN  44   2.150 -11.563  -8.799
  145   HE22  GLN  44          1HE2      GLN  44   3.680 -10.838  -9.105
  146    H    GLU  45           H        GLU  45   0.891  -5.777 -10.621
  147    HA   GLU  45           HA       GLU  45  -0.429  -3.595  -9.434
  148    HB2  GLU  45           2HB      GLU  45   1.061  -4.107 -11.815
  149    HB3  GLU  45           3HB      GLU  45  -0.458  -3.415 -12.372
  150    HG2  GLU  45           2HG      GLU  45   1.307  -2.189 -10.201
  151    HG3  GLU  45           3HG      GLU  45   1.408  -1.780 -11.913
  152    H    SER  46           H        SER  46  -1.925  -6.152 -11.475
  153    HA   SER  46           HA       SER  46  -4.417  -4.768 -11.837
  154    HG   SER  46           HG       SER  46  -3.718  -8.420 -11.143
  155    HB2  SER  46           2HB      SER  46  -5.287  -7.193 -12.096
  156    HB3  SER  46           3HB      SER  46  -4.106  -6.574 -13.256
  157    H    GLU  47           H        GLU  47  -3.137  -6.491  -8.952
  158    HA   GLU  47           HA       GLU  47  -5.791  -6.890  -7.740
  159    HB2  GLU  47           2HB      GLU  47  -2.851  -7.495  -7.134
  160    HB3  GLU  47           3HB      GLU  47  -4.020  -7.519  -5.875
  161    HG2  GLU  47           2HG      GLU  47  -3.905  -9.713  -6.563
  162    HG3  GLU  47           3HG      GLU  47  -5.372  -9.174  -7.381
  163    H    LEU  48           H        LEU  48  -2.806  -4.987  -7.506
  164    HA   LEU  48           HA       LEU  48  -3.659  -3.277  -5.359
  165    HG   LEU  48           HG       LEU  48  -1.524  -4.909  -5.548
  166    HB2  LEU  48           2HB      LEU  48  -1.560  -2.941  -7.523
  167    HB3  LEU  48           3HB      LEU  48  -1.721  -1.969  -6.176
  168   HD11  LEU  48          1HD1      LEU  48   1.063  -3.529  -6.124
  169   HD12  LEU  48          2HD1      LEU  48   0.708  -5.248  -5.955
  170   HD13  LEU  48          3HD1      LEU  48   0.226  -4.385  -7.423
  171   HD21  LEU  48          3HD2      LEU  48   0.013  -4.091  -3.886
  172   HD22  LEU  48          1HD2      LEU  48  -0.133  -2.412  -4.558
  173   HD23  LEU  48          2HD2      LEU  48  -1.542  -3.259  -3.817
  174    H    ASN  49           H        ASN  49  -4.040  -3.177  -8.918
  175    HA   ASN  49           HA       ASN  49  -5.430  -0.632  -8.969
  176    HB2  ASN  49           2HB      ASN  49  -5.280  -2.950 -10.876
  177    HB3  ASN  49           3HB      ASN  49  -6.674  -1.900 -11.019
  178   HD21  ASN  49          2HD2      ASN  49  -3.122  -1.721 -10.785
  179   HD22  ASN  49          1HD2      ASN  49  -2.964  -0.382 -11.896
  180    H    GLU  50           H        GLU  50  -6.746  -3.968  -8.527
  181    HA   GLU  50           HA       GLU  50  -9.482  -3.211  -8.217
  182    HB2  GLU  50           2HB      GLU  50  -7.797  -5.480  -7.202
  183    HB3  GLU  50           3HB      GLU  50  -9.463  -5.307  -6.652
  184    HG2  GLU  50           2HG      GLU  50 -10.222  -5.316  -9.025
  185    HG3  GLU  50           3HG      GLU  50  -8.558  -5.559  -9.553
  186    H    ILE  51           H        ILE  51  -6.861  -3.221  -5.814
  187    HA   ILE  51           HA       ILE  51  -8.702  -2.564  -3.614
  188    HB   ILE  51           HB       ILE  51  -5.756  -3.059  -3.882
  189   HG12  ILE  51          2HG1      ILE  51  -7.861  -4.769  -2.485
  190   HG13  ILE  51          3HG1      ILE  51  -7.401  -4.989  -4.171
  191   HG21  ILE  51          1HG2      ILE  51  -7.327  -2.615  -1.304
  192   HG22  ILE  51          2HG2      ILE  51  -5.641  -3.174  -1.376
  193   HG23  ILE  51          3HG2      ILE  51  -6.042  -1.559  -1.928
  194   HD11  ILE  51          3HD1      ILE  51  -5.607  -5.394  -1.755
  195   HD12  ILE  51          1HD1      ILE  51  -6.165  -6.589  -2.934
  196   HD13  ILE  51          2HD1      ILE  51  -5.007  -5.344  -3.431
  197    H    PHE  52           H        PHE  52  -6.217  -0.802  -5.469
  198    HA   PHE  52           HA       PHE  52  -6.465   1.567  -3.729
  199    HD1  PHE  52           HD1      PHE  52  -4.445  -1.354  -4.211
  200    HD2  PHE  52           HD2      PHE  52  -3.327   2.579  -2.863
  201    HE1  PHE  52           HE1      PHE  52  -2.937  -2.365  -2.562
  202    HE2  PHE  52           HE2      PHE  52  -1.683   1.551  -1.341
  203    HZ   PHE  52           HZ       PHE  52  -1.322  -0.914  -1.408
  204    HB2  PHE  52           2HB      PHE  52  -4.433   0.833  -5.769
  205    HB3  PHE  52           3HB      PHE  52  -4.466   2.353  -4.916
  206    H    GLY  53           H        GLY  53  -7.342   0.513  -6.946
  207    HA2  GLY  53           2HA      GLY  53  -7.661   2.898  -8.387
  208    HA3  GLY  53           3HA      GLY  53  -8.702   1.475  -8.496
  209    HA   PRO  54           HA       PRO  54 -11.863   3.647  -6.043
  210    HB2  PRO  54           2HB      PRO  54 -11.066   2.772  -3.274
  211    HB3  PRO  54           3HB      PRO  54 -12.666   2.676  -4.065
  212    HG2  PRO  54           2HG      PRO  54 -11.147   0.451  -3.753
  213    HG3  PRO  54           3HG      PRO  54 -12.004   0.732  -5.309
  214    HD2  PRO  54           2HD      PRO  54  -9.156   1.450  -4.586
  215    HD3  PRO  54           3HD      PRO  54  -9.678   0.455  -5.966
  216    H    PHE  55           H        PHE  55  -8.587   4.007  -4.722
  217    HA   PHE  55           HA       PHE  55  -9.231   6.416  -3.201
  218    HD1  PHE  55           HD1      PHE  55  -9.389   4.507  -1.882
  219    HD2  PHE  55           HD2      PHE  55  -5.240   3.801  -2.785
  220    HE1  PHE  55           HE1      PHE  55  -9.489   2.359  -0.650
  221    HE2  PHE  55           HE2      PHE  55  -5.281   1.784  -1.270
  222    HZ   PHE  55           HZ       PHE  55  -7.436   1.045  -0.286
  223    HB2  PHE  55           2HB      PHE  55  -6.452   5.417  -3.920
  224    HB3  PHE  55           3HB      PHE  55  -6.919   6.426  -2.599
  225    H    GLY  56           H        GLY  56  -7.331   5.569  -6.047
  226    HA2  GLY  56           2HA      GLY  56  -7.691   6.732  -8.056
  227    HA3  GLY  56           3HA      GLY  56  -7.786   8.263  -7.182
  228    HA   PRO  57           HA       PRO  57  -3.662   9.179  -8.184
  229    HB2  PRO  57           2HB      PRO  57  -2.987   9.828  -5.310
  230    HB3  PRO  57           3HB      PRO  57  -2.772  10.828  -6.784
  231    HG2  PRO  57           2HG      PRO  57  -4.837  11.319  -5.168
  232    HG3  PRO  57           3HG      PRO  57  -5.144  11.214  -6.926
  233    HD2  PRO  57           2HD      PRO  57  -5.493   8.994  -4.861
  234    HD3  PRO  57           3HD      PRO  57  -6.680   9.621  -6.025
  235    H    MET  58           H        MET  58  -3.703   6.297  -7.520
  236    HA   MET  58           HA       MET  58  -1.196   5.374  -6.362
  237    HB2  MET  58           2HB      MET  58  -1.613   3.338  -7.537
  238    HB3  MET  58           3HB      MET  58  -2.867   3.820  -6.385
  239    HG2  MET  58           2HG      MET  58  -4.269   4.636  -8.236
  240    HG3  MET  58           3HG      MET  58  -3.063   4.070  -9.399
  241    HE1  MET  58           3HE      MET  58  -2.703   1.361  -6.971
  242    HE2  MET  58           1HE      MET  58  -3.347   0.124  -8.066
  243    HE3  MET  58           2HE      MET  58  -2.157   1.298  -8.671
  244    H    LYS  59           H        LYS  59  -0.076   7.116  -7.183
  245    HA   LYS  59           HA       LYS  59   0.980   7.424  -9.770
  246    HB2  LYS  59           2HB      LYS  59   0.936   9.251  -8.388
  247    HB3  LYS  59           3HB      LYS  59   1.482   8.354  -7.003
  248    HG2  LYS  59           2HG      LYS  59   3.325   9.237  -9.210
  249    HG3  LYS  59           3HG      LYS  59   3.006  10.048  -7.682
  250    HD2  LYS  59           2HD      LYS  59   3.635   7.603  -6.683
  251    HD3  LYS  59           3HD      LYS  59   4.553   7.572  -8.195
  252    HE2  LYS  59           2HE      LYS  59   5.073  10.070  -7.268
  253    HE3  LYS  59           3HE      LYS  59   4.822   9.176  -5.737
  254    HZ1  LYS  59           3HZ      LYS  59   6.626   7.686  -6.344
  255    HZ2  LYS  59           1HZ      LYS  59   6.734   8.234  -7.849
  256    HZ3  LYS  59           2HZ      LYS  59   7.214   9.184  -6.601
  257    H    GLU  60           H        GLU  60   2.156   5.378  -7.065
  258    HA   GLU  60           HA       GLU  60   3.640   3.819  -9.013
  259    HB2  GLU  60           2HB      GLU  60   5.105   5.663  -7.199
  260    HB3  GLU  60           3HB      GLU  60   5.556   3.987  -6.960
  261    HG2  GLU  60           2HG      GLU  60   6.119   3.724  -9.311
  262    HG3  GLU  60           3HG      GLU  60   5.564   5.361  -9.676
  263    H    VAL  61           H        VAL  61   4.416   1.921  -8.316
  264    HA   VAL  61           HA       VAL  61   3.063   0.721  -5.993
  265    HB   VAL  61           HB       VAL  61   2.498  -0.375  -8.799
  266   HG11  VAL  61          1HG1      VAL  61   0.652  -0.461  -6.412
  267   HG12  VAL  61          2HG1      VAL  61   0.751  -1.539  -7.781
  268   HG13  VAL  61          3HG1      VAL  61   2.041  -1.566  -6.552
  269   HG21  VAL  61          3HG2      VAL  61   0.281   0.710  -8.861
  270   HG22  VAL  61          1HG2      VAL  61   0.758   1.781  -7.564
  271   HG23  VAL  61          2HG2      VAL  61   1.608   1.826  -9.118
  272    H    LYS  62           H        LYS  62   5.282   0.619  -5.463
  273    HA   LYS  62           HA       LYS  62   7.203  -0.759  -7.165
  274    HB2  LYS  62           2HB      LYS  62   7.402  -0.117  -4.197
  275    HB3  LYS  62           3HB      LYS  62   8.719  -0.434  -5.317
  276    HG2  LYS  62           2HG      LYS  62   7.904   1.694  -6.595
  277    HG3  LYS  62           3HG      LYS  62   6.833   1.973  -5.217
  278    HD2  LYS  62           2HD      LYS  62   8.591   3.274  -4.541
  279    HD3  LYS  62           3HD      LYS  62   9.042   1.748  -3.787
  280    HE2  LYS  62           2HE      LYS  62  11.039   2.324  -4.836
  281    HE3  LYS  62           3HE      LYS  62  10.297   1.273  -6.052
  282    HZ1  LYS  62           3HZ      LYS  62   9.442   3.421  -7.108
  283    HZ2  LYS  62           1HZ      LYS  62  10.311   4.256  -6.028
  284    HZ3  LYS  62           2HZ      LYS  62  11.076   3.302  -7.101
  285    H    ILE  63           H        ILE  63   7.017  -2.910  -7.505
  286    HA   ILE  63           HA       ILE  63   5.840  -4.638  -5.370
  287    HB   ILE  63           HB       ILE  63   5.444  -4.697  -8.368
  288   HG12  ILE  63          2HG1      ILE  63   3.300  -4.625  -6.208
  289   HG13  ILE  63          3HG1      ILE  63   4.090  -3.146  -6.684
  290   HG21  ILE  63          1HG2      ILE  63   4.529  -6.746  -6.287
  291   HG22  ILE  63          2HG2      ILE  63   3.926  -6.664  -7.956
  292   HG23  ILE  63          3HG2      ILE  63   5.618  -7.040  -7.657
  293   HD11  ILE  63          3HD1      ILE  63   2.120  -3.267  -7.983
  294   HD12  ILE  63          1HD1      ILE  63   3.442  -3.608  -9.090
  295   HD13  ILE  63          2HD1      ILE  63   2.421  -4.936  -8.462
  296    H    LEU  64           H        LEU  64   6.867  -6.118  -4.583
  297    HA   LEU  64           HA       LEU  64   9.267  -7.402  -5.795
  298    HG   LEU  64           HG       LEU  64  10.873  -5.428  -5.015
  299    HB2  LEU  64           2HB      LEU  64   8.797  -6.291  -2.990
  300    HB3  LEU  64           3HB      LEU  64  10.194  -7.225  -3.480
  301   HD11  LEU  64          1HD1      LEU  64   9.898  -3.049  -4.218
  302   HD12  LEU  64          2HD1      LEU  64   9.355  -3.898  -5.647
  303   HD13  LEU  64          3HD1      LEU  64   8.412  -4.021  -4.145
  304   HD21  LEU  64          3HD2      LEU  64  11.918  -5.661  -2.955
  305   HD22  LEU  64          1HD2      LEU  64  11.601  -3.927  -3.142
  306   HD23  LEU  64          2HD2      LEU  64  10.570  -4.932  -2.082
  307    H    ASN  65           H        ASN  65   9.863  -9.170  -4.070
  308    HA   ASN  65           HA       ASN  65   8.359 -11.411  -4.531
  309    HB2  ASN  65           2HB      ASN  65  10.277 -10.926  -2.280
  310    HB3  ASN  65           3HB      ASN  65   9.992 -12.495  -3.038
  311   HD21  ASN  65          1HD2      ASN  65  12.193  -9.967  -3.019
  312   HD22  ASN  65          2HD2      ASN  65  12.887 -10.257  -4.607
  313    H    GLY  66           H        GLY  66   6.262 -10.118  -3.434
  314    HA2  GLY  66           2HA      GLY  66   4.547 -10.961  -2.014
  315    HA3  GLY  66           3HA      GLY  66   5.681 -11.375  -0.760
  316    H    PHE  67           H        PHE  67   6.272  -8.353  -2.424
  317    HA   PHE  67           HA       PHE  67   4.823  -6.828  -0.288
  318    HD1  PHE  67           HD2      PHE  67   8.703  -8.251  -1.181
  319    HD2  PHE  67           HD1      PHE  67   6.731  -6.684   2.304
  320    HE1  PHE  67           HE2      PHE  67   9.778 -10.007   0.206
  321    HE2  PHE  67           HE1      PHE  67   7.826  -8.411   3.706
  322    HZ   PHE  67           HZ       PHE  67   9.348 -10.084   2.658
  323    HB2  PHE  67           2HB      PHE  67   7.581  -6.036  -1.192
  324    HB3  PHE  67           3HB      PHE  67   6.671  -5.474   0.185
  325    H    ALA  68           H        ALA  68   3.998  -4.971  -0.806
  326    HA   ALA  68           HA       ALA  68   4.543  -3.625  -3.433
  327    HB1  ALA  68           1HB      ALA  68   1.854  -3.956  -2.112
  328    HB2  ALA  68           2HB      ALA  68   2.228  -3.005  -3.558
  329    HB3  ALA  68           3HB      ALA  68   2.392  -4.775  -3.596
  330    H    PHE  69           H        PHE  69   5.228  -1.685  -3.147
  331    HA   PHE  69           HA       PHE  69   4.441  -0.209  -0.705
  332    HD1  PHE  69           HD1      PHE  69   7.647  -1.867  -2.763
  333    HD2  PHE  69           HD2      PHE  69   7.118  -0.791   1.367
  334    HE1  PHE  69           HE1      PHE  69   8.755  -3.935  -2.061
  335    HE2  PHE  69           HE2      PHE  69   8.410  -2.803   2.042
  336    HZ   PHE  69           HZ       PHE  69   9.287  -4.383   0.241
  337    HB2  PHE  69           2HB      PHE  69   7.030   0.458  -2.078
  338    HB3  PHE  69           3HB      PHE  69   6.527   0.805  -0.433
  339    H    VAL  70           H        VAL  70   2.679   0.462  -1.704
  340    HA   VAL  70           HA       VAL  70   2.757   1.812  -4.311
  341    HB   VAL  70           HB       VAL  70   0.397   1.813  -2.443
  342   HG11  VAL  70          1HG1      VAL  70  -0.884   1.668  -4.504
  343   HG12  VAL  70          2HG1      VAL  70   0.230   3.062  -4.664
  344   HG13  VAL  70          3HG1      VAL  70   0.596   1.472  -5.430
  345   HG21  VAL  70          3HG2      VAL  70   1.381  -0.291  -4.356
  346   HG22  VAL  70          1HG2      VAL  70   0.960  -0.532  -2.609
  347   HG23  VAL  70          2HG2      VAL  70  -0.319  -0.219  -3.812
  348    H    GLU  71           H        GLU  71   2.208   4.052  -4.570
  349    HA   GLU  71           HA       GLU  71   3.113   5.827  -2.336
  350    HB2  GLU  71           2HB      GLU  71   5.099   4.824  -3.615
  351    HB3  GLU  71           3HB      GLU  71   4.442   5.530  -5.076
  352    HG2  GLU  71           2HG      GLU  71   4.666   7.777  -4.219
  353    HG3  GLU  71           3HG      GLU  71   5.074   7.194  -2.616
  354    H    PHE  72           H        PHE  72   2.378   7.862  -2.591
  355    HA   PHE  72           HA       PHE  72   1.008   8.569  -5.135
  356    HD1  PHE  72           HD1      PHE  72  -0.570   6.714  -4.953
  357    HD2  PHE  72           HD2      PHE  72  -1.526   8.407  -1.164
  358    HE1  PHE  72           HE1      PHE  72  -2.048   4.758  -4.454
  359    HE2  PHE  72           HE2      PHE  72  -3.010   6.496  -0.666
  360    HZ   PHE  72           HZ       PHE  72  -3.309   4.694  -2.319
  361    HB2  PHE  72           2HB      PHE  72  -0.003   9.514  -2.464
  362    HB3  PHE  72           3HB      PHE  72  -0.758   9.588  -4.012
  363    H    GLU  73           H        GLU  73   0.699  10.915  -5.443
  364    HA   GLU  73           HA       GLU  73   3.173  12.361  -4.610
  365    HB2  GLU  73           2HB      GLU  73   2.866  13.755  -6.583
  366    HB3  GLU  73           3HB      GLU  73   3.089  12.059  -6.942
  367    HG2  GLU  73           2HG      GLU  73   0.600  11.825  -7.268
  368    HG3  GLU  73           3HG      GLU  73   0.430  13.556  -6.966
  369    H    GLU  74           H        GLU  74   0.226  12.137  -3.396
  370    HA   GLU  74           HA       GLU  74  -0.136  15.008  -2.685
  371    HB2  GLU  74           2HB      GLU  74  -1.275  14.379  -4.864
  372    HB3  GLU  74           3HB      GLU  74  -2.234  13.200  -3.990
  373    HG2  GLU  74           2HG      GLU  74  -2.188  16.206  -3.444
  374    HG3  GLU  74           3HG      GLU  74  -3.347  15.403  -4.505
  375    H    ALA  75           H        ALA  75  -1.044  15.259  -0.567
  376    HA   ALA  75           HA       ALA  75  -0.723  12.882   1.044
  377    HB1  ALA  75           1HB      ALA  75  -1.453  15.715   1.825
  378    HB2  ALA  75           2HB      ALA  75  -0.937  14.410   2.922
  379    HB3  ALA  75           3HB      ALA  75   0.191  15.025   1.701
  380    H    GLU  76           H        GLU  76  -3.722  14.533  -0.018
  381    HA   GLU  76           HA       GLU  76  -5.417  13.283   1.992
  382    HB2  GLU  76           2HB      GLU  76  -6.109  14.227  -0.808
  383    HB3  GLU  76           3HB      GLU  76  -7.267  13.792   0.427
  384    HG2  GLU  76           2HG      GLU  76  -5.274  16.042   0.900
  385    HG3  GLU  76           3HG      GLU  76  -6.835  16.296   0.117
  386    H    SER  77           H        SER  77  -4.213  12.280  -1.220
  387    HA   SER  77           HA       SER  77  -5.796   9.983  -1.596
  388    HG   SER  77           HG       SER  77  -2.260  11.129  -2.027
  389    HB2  SER  77           2HB      SER  77  -4.221   9.429  -3.202
  390    HB3  SER  77           3HB      SER  77  -4.133  11.186  -3.125
  391    H    ALA  78           H        ALA  78  -2.761  10.395   0.196
  392    HA   ALA  78           HA       ALA  78  -2.603   7.637   1.065
  393    HB1  ALA  78           1HB      ALA  78  -0.680   9.168   0.837
  394    HB2  ALA  78           2HB      ALA  78  -1.263  10.086   2.245
  395    HB3  ALA  78           3HB      ALA  78  -0.777   8.376   2.422
  396    H    ALA  79           H        ALA  79  -3.744  10.653   2.704
  397    HA   ALA  79           HA       ALA  79  -4.583   9.549   5.142
  398    HB1  ALA  79           1HB      ALA  79  -4.543  11.963   4.579
  399    HB2  ALA  79           2HB      ALA  79  -5.973  11.727   3.548
  400    HB3  ALA  79           3HB      ALA  79  -6.083  11.445   5.291
  401    H    LYS  80           H        LYS  80  -6.525   9.688   2.057
  402    HA   LYS  80           HA       LYS  80  -8.615   8.165   3.304
  403    HB2  LYS  80           2HB      LYS  80  -9.698   8.071   1.194
  404    HB3  LYS  80           3HB      LYS  80  -8.947   9.673   1.290
  405    HG2  LYS  80           2HG      LYS  80  -7.128   8.888  -0.158
  406    HG3  LYS  80           3HG      LYS  80  -7.840   7.264  -0.216
  407    HD2  LYS  80           2HD      LYS  80  -8.487   8.119  -2.178
  408    HD3  LYS  80           3HD      LYS  80  -9.925   8.441  -1.201
  409    HE2  LYS  80           2HE      LYS  80  -9.181  10.828  -1.032
  410    HE3  LYS  80           3HE      LYS  80  -7.718  10.424  -1.949
  411    HZ1  LYS  80           3HZ      LYS  80  -9.375  11.331  -3.435
  412    HZ2  LYS  80           1HZ      LYS  80  -9.140   9.753  -3.816
  413    HZ3  LYS  80           2HZ      LYS  80 -10.482  10.211  -2.999
  414    H    ALA  81           H        ALA  81  -5.863   7.120   1.260
  415    HA   ALA  81           HA       ALA  81  -6.627   4.416   1.019
  416    HB1  ALA  81           1HB      ALA  81  -4.782   5.311  -0.191
  417    HB2  ALA  81           2HB      ALA  81  -3.820   5.503   1.304
  418    HB3  ALA  81           3HB      ALA  81  -4.271   3.886   0.709
  419    H    ILE  82           H        ILE  82  -4.746   6.010   3.656
  420    HA   ILE  82           HA       ILE  82  -4.457   3.881   5.423
  421    HB   ILE  82           HB       ILE  82  -4.922   6.806   6.026
  422   HG12  ILE  82          2HG1      ILE  82  -2.265   5.493   6.488
  423   HG13  ILE  82          3HG1      ILE  82  -2.695   5.794   4.816
  424   HG21  ILE  82          1HG2      ILE  82  -5.478   5.560   8.070
  425   HG22  ILE  82          2HG2      ILE  82  -3.950   4.660   7.958
  426   HG23  ILE  82          3HG2      ILE  82  -3.952   6.401   8.273
  427   HD11  ILE  82          3HD1      ILE  82  -2.636   7.861   7.050
  428   HD12  ILE  82          1HD1      ILE  82  -1.472   7.697   5.707
  429   HD13  ILE  82          2HD1      ILE  82  -3.162   8.156   5.395
  430    H    GLU  83           H        GLU  83  -7.141   6.323   5.508
  431    HA   GLU  83           HA       GLU  83  -8.606   4.866   7.479
  432    HB2  GLU  83           2HB      GLU  83  -9.485   6.947   5.464
  433    HB3  GLU  83           3HB      GLU  83 -10.505   6.349   6.773
  434    HG2  GLU  83           2HG      GLU  83  -7.805   7.750   7.128
  435    HG3  GLU  83           3HG      GLU  83  -9.389   8.481   7.345
  436    H    GLU  84           H        GLU  84  -8.495   4.363   4.028
  437    HA   GLU  84           HA       GLU  84 -10.940   2.784   3.791
  438    HB2  GLU  84           2HB      GLU  84  -8.503   3.191   2.024
  439    HB3  GLU  84           3HB      GLU  84  -9.788   2.083   1.595
  440    HG2  GLU  84           2HG      GLU  84 -10.466   4.970   2.173
  441    HG3  GLU  84           3HG      GLU  84  -9.751   4.527   0.626
  442    H    VAL  85           H        VAL  85  -7.442   1.959   4.156
  443    HA   VAL  85           HA       VAL  85  -8.211  -0.876   4.699
  444    HB   VAL  85           HB       VAL  85  -8.161  -0.603   2.337
  445   HG11  VAL  85          1HG1      VAL  85  -5.386   0.492   2.657
  446   HG12  VAL  85          2HG1      VAL  85  -5.965  -0.186   1.127
  447   HG13  VAL  85          3HG1      VAL  85  -6.772   1.207   1.858
  448   HG21  VAL  85          3HG2      VAL  85  -5.689  -2.191   2.982
  449   HG22  VAL  85          1HG2      VAL  85  -7.347  -2.766   3.293
  450   HG23  VAL  85          2HG2      VAL  85  -6.821  -2.405   1.643
  451    H    HIS  86           H        HIS  86  -6.244   1.580   5.829
  452    HA   HIS  86           HA       HIS  86  -3.945  -0.041   6.602
  453    HD1  HIS  86           HD1      HIS  86  -1.466   2.423   7.216
  454    HD2  HIS  86           HD2      HIS  86  -3.933   1.053  10.322
  455    HE1  HIS  86           HE1      HIS  86   0.088   1.896   9.192
  456    HB2  HIS  86           2HB      HIS  86  -3.959   2.429   6.644
  457    HB3  HIS  86           3HB      HIS  86  -5.051   2.400   8.021
  458    H    GLY  87           H        GLY  87  -4.133  -1.829   7.818
  459    HA2  GLY  87           2HA      GLY  87  -4.071  -2.757  10.003
  460    HA3  GLY  87           3HA      GLY  87  -5.224  -1.558  10.578
  461    H    LYS  88           H        LYS  88  -6.348  -2.477   7.665
  462    HA   LYS  88           HA       LYS  88  -8.404  -4.378   8.576
  463    HB2  LYS  88           2HB      LYS  88  -7.703  -2.737   6.139
  464    HB3  LYS  88           3HB      LYS  88  -8.635  -4.145   5.892
  465    HG2  LYS  88           2HG      LYS  88 -10.097  -2.185   6.137
  466    HG3  LYS  88           3HG      LYS  88 -10.371  -3.342   7.430
  467    HD2  LYS  88           2HD      LYS  88 -10.427  -1.442   8.679
  468    HD3  LYS  88           3HD      LYS  88  -8.722  -1.767   8.813
  469    HE2  LYS  88           2HE      LYS  88  -8.850   0.511   8.425
  470    HE3  LYS  88           3HE      LYS  88  -8.346  -0.145   6.873
  471    HZ1  LYS  88           3HZ      LYS  88 -10.194   1.554   6.797
  472    HZ2  LYS  88           1HZ      LYS  88 -10.576   0.155   6.047
  473    HZ3  LYS  88           2HZ      LYS  88 -11.181   0.491   7.538
  474    H    SER  89           H        SER  89  -8.467  -6.461   7.881
  475    HA   SER  89           HA       SER  89  -5.805  -7.695   7.586
  476    HG   SER  89           HG       SER  89  -9.103  -9.173   7.631
  477    HB2  SER  89           2HB      SER  89  -6.988  -9.773   8.287
  478    HB3  SER  89           3HB      SER  89  -7.052  -8.433   9.444
  479    H    PHE  90           H        PHE  90  -5.112  -7.817   5.460
  480    HA   PHE  90           HA       PHE  90  -6.981  -9.124   3.496
  481    HD1  PHE  90           HD1      PHE  90  -4.277  -9.810   1.200
  482    HD2  PHE  90           HD2      PHE  90  -7.272  -6.706   1.312
  483    HE1  PHE  90           HE1      PHE  90  -5.086 -10.502  -1.052
  484    HE2  PHE  90           HE2      PHE  90  -8.006  -7.334  -0.974
  485    HZ   PHE  90           HZ       PHE  90  -6.967  -9.283  -2.111
  486    HB2  PHE  90           2HB      PHE  90  -5.881  -6.970   3.041
  487    HB3  PHE  90           3HB      PHE  90  -4.343  -7.749   3.053
  488    H    ALA  91           H        ALA  91  -6.536 -11.035   2.585
  489    HA   ALA  91           HA       ALA  91  -5.966 -13.167   2.376
  490    HB1  ALA  91           1HB      ALA  91  -3.618 -13.638   1.837
  491    HB2  ALA  91           2HB      ALA  91  -4.218 -12.175   1.052
  492    HB3  ALA  91           3HB      ALA  91  -3.152 -12.042   2.465
  493    H    ASN  92           H        ASN  92  -3.718 -12.060   4.926
  494    HA   ASN  92           HA       ASN  92  -4.628 -14.137   6.794
  495    HB2  ASN  92           2HB      ASN  92  -2.421 -15.142   7.073
  496    HB3  ASN  92           3HB      ASN  92  -2.916 -15.302   5.400
  497   HD21  ASN  92          1HD2      ASN  92  -1.781 -14.025   3.779
  498   HD22  ASN  92          2HD2      ASN  92  -0.289 -13.183   4.173
  499    H    GLN  93           H        GLN  93  -3.403 -10.953   6.274
  500    HA   GLN  93           HA       GLN  93  -3.022 -10.458   9.138
  501    HB2  GLN  93           2HB      GLN  93  -0.690  -9.816   9.002
  502    HB3  GLN  93           3HB      GLN  93  -0.846 -11.475   8.458
  503    HG2  GLN  93           2HG      GLN  93  -0.821 -10.626   6.086
  504    HG3  GLN  93           3HG      GLN  93  -0.523  -8.996   6.718
  505   HE21  GLN  93          2HE2      GLN  93   0.848 -12.319   6.664
  506   HE22  GLN  93          1HE2      GLN  93   2.515 -11.751   6.613
  507    HA   PRO  94           HA       PRO  94  -4.113  -6.493   7.700
  508    HB2  PRO  94           2HB      PRO  94  -3.208  -4.743   9.645
  509    HB3  PRO  94           3HB      PRO  94  -4.554  -5.895   9.922
  510    HG2  PRO  94           2HG      PRO  94  -1.608  -6.269  10.584
  511    HG3  PRO  94           3HG      PRO  94  -3.021  -6.512  11.662
  512    HD2  PRO  94           2HD      PRO  94  -1.843  -8.567  10.347
  513    HD3  PRO  94           3HD      PRO  94  -3.627  -8.499  10.510
  514    H    LEU  95           H        LEU  95  -3.639  -4.761   6.676
  515    HA   LEU  95           HA       LEU  95  -1.095  -4.401   5.359
  516    HG   LEU  95           HG       LEU  95  -3.676  -3.314   2.992
  517    HB2  LEU  95           2HB      LEU  95  -3.722  -2.858   5.549
  518    HB3  LEU  95           3HB      LEU  95  -2.406  -2.322   4.574
  519   HD11  LEU  95          1HD1      LEU  95  -1.467  -4.415   2.932
  520   HD12  LEU  95          2HD1      LEU  95  -2.175  -5.744   3.886
  521   HD13  LEU  95          3HD1      LEU  95  -2.784  -5.394   2.252
  522   HD21  LEU  95          3HD2      LEU  95  -4.472  -5.650   4.631
  523   HD22  LEU  95          1HD2      LEU  95  -5.379  -4.110   4.545
  524   HD23  LEU  95          2HD2      LEU  95  -5.095  -5.017   3.065
  525    H    GLU  96           H        GLU  96   0.151  -2.471   5.249
  526    HA   GLU  96           HA       GLU  96  -0.002  -0.604   7.565
  527    HB2  GLU  96           2HB      GLU  96   1.653  -2.387   7.831
  528    HB3  GLU  96           3HB      GLU  96   2.531  -1.835   6.404
  529    HG2  GLU  96           2HG      GLU  96   3.006   0.286   7.469
  530    HG3  GLU  96           3HG      GLU  96   1.989  -0.131   8.861
  531    H    VAL  97           H        VAL  97  -1.361  -0.029   5.538
  532    HA   VAL  97           HA       VAL  97  -0.254   1.295   3.235
  533    HB   VAL  97           HB       VAL  97  -2.880   1.407   4.763
  534   HG11  VAL  97          1HG1      VAL  97  -2.858   3.470   3.447
  535   HG12  VAL  97          2HG1      VAL  97  -2.446   2.552   1.984
  536   HG13  VAL  97          3HG1      VAL  97  -3.990   2.299   2.758
  537   HG21  VAL  97          3HG2      VAL  97  -2.655   0.217   1.985
  538   HG22  VAL  97          1HG2      VAL  97  -1.898  -0.670   3.302
  539   HG23  VAL  97          2HG2      VAL  97  -3.610  -0.327   3.397
  540    H    VAL  98           H        VAL  98   1.289   3.148   3.947
  541    HA   VAL  98           HA       VAL  98   0.040   5.155   5.669
  542    HB   VAL  98           HB       VAL  98   0.722   2.923   6.896
  543   HG11  VAL  98          1HG1      VAL  98   3.403   4.018   7.486
  544   HG12  VAL  98          2HG1      VAL  98   2.640   2.505   7.884
  545   HG13  VAL  98          3HG1      VAL  98   3.112   2.772   6.208
  546   HG21  VAL  98          3HG2      VAL  98   0.861   4.123   8.931
  547   HG22  VAL  98          1HG2      VAL  98   1.020   5.645   7.999
  548   HG23  VAL  98          2HG2      VAL  98  -0.425   4.589   7.794
  549    H    TYR  99           H        TYR  99   3.255   5.022   6.270
  550    HA   TYR  99           HA       TYR  99   4.095   6.907   4.122
  551    HD1  TYR  99           HD1      TYR  99   2.463   8.333   4.959
  552    HD2  TYR  99           HD2      TYR  99   4.271   7.847   8.834
  553    HE1  TYR  99           HE1      TYR  99   0.565   9.537   5.967
  554    HE2  TYR  99           HE2      TYR  99   2.361   9.050   9.866
  555    HH   TYR  99           HH       TYR  99   0.357  10.110   9.524
  556    HB2  TYR  99           2HB      TYR  99   5.112   6.630   6.950
  557    HB3  TYR  99           3HB      TYR  99   5.415   7.965   5.839
  558    H    SER 100           H        SER 100   4.171   3.879   4.495
  559    HA   SER 100           HA       SER 100   5.471   2.121   4.793
  560    HG   SER 100           HG       SER 100   7.808   1.715   2.806
  561    HB2  SER 100           2HB      SER 100   5.015   2.244   2.524
  562    HB3  SER 100           3HB      SER 100   6.310   3.358   2.327
  563    H    LYS 101           H        LYS 101   6.457   3.215   6.783
  564    HA   LYS 101           HA       LYS 101   8.934   1.769   6.968
  565    HB2  LYS 101           2HB      LYS 101   9.467   4.348   6.360
  566    HB3  LYS 101           3HB      LYS 101   9.278   4.549   8.089
  567    HG2  LYS 101           2HG      LYS 101  11.122   2.443   6.899
  568    HG3  LYS 101           3HG      LYS 101  11.609   4.128   7.029
  569    HD2  LYS 101           2HD      LYS 101  11.333   4.071   9.483
  570    HD3  LYS 101           3HD      LYS 101  10.860   2.363   9.393
  571    HE2  LYS 101           2HE      LYS 101  13.015   1.798   8.323
  572    HE3  LYS 101           3HE      LYS 101  13.511   3.495   8.411
  573    HZ1  LYS 101           3HZ      LYS 101  12.870   1.852  10.815
  574    HZ2  LYS 101           1HZ      LYS 101  14.391   2.129  10.262
  575    HZ3  LYS 101           2HZ      LYS 101  13.450   3.340  10.833
  576    H    LEU 102           H        LEU 102   9.183   0.974   9.007
  577    HA   LEU 102           HA       LEU 102   7.087   0.857  10.893
  578    HG   LEU 102           HG       LEU 102   8.928  -1.165   9.605
  579    HB2  LEU 102           2HB      LEU 102  10.101   0.470  11.159
  580    HB3  LEU 102           3HB      LEU 102   8.976   0.018  12.424
  581   HD11  LEU 102          1HD1      LEU 102   9.941  -3.151  10.626
  582   HD12  LEU 102          2HD1      LEU 102  11.002  -1.746  10.812
  583   HD13  LEU 102          3HD1      LEU 102  10.047  -2.318  12.194
  584   HD21  LEU 102          3HD2      LEU 102   6.749  -1.335  10.772
  585   HD22  LEU 102          1HD2      LEU 102   7.521  -2.913  10.635
  586   HD23  LEU 102          2HD2      LEU 102   7.548  -2.046  12.186
  587    HA   PRO 103           HA       PRO 103   7.351   4.621  13.209
  588    HB2  PRO 103           2HB      PRO 103   6.731   3.887  15.793
  589    HB3  PRO 103           3HB      PRO 103   5.563   3.914  14.441
  590    HG2  PRO 103           2HG      PRO 103   7.130   1.539  15.494
  591    HG3  PRO 103           3HG      PRO 103   5.368   1.649  15.176
  592    HD2  PRO 103           2HD      PRO 103   7.050   0.558  13.361
  593    HD3  PRO 103           3HD      PRO 103   5.703   1.601  12.825
  594    H    ALA 104           H        ALA 104   9.804   2.448  13.444
  595    HA   ALA 104           HA       ALA 104  11.609   4.425  14.637
  596    HB1  ALA 104           1HB      ALA 104  11.143   2.889  16.517
  597    HB2  ALA 104           2HB      ALA 104  11.551   1.490  15.500
  598    HB3  ALA 104           3HB      ALA 104  12.804   2.673  15.932
  Start of MODEL   16
    1    H    GLU  28           H        GLU  28   9.005  12.085  11.758
    2    HA   GLU  28           HA       GLU  28   6.825  12.893  11.094
    3    HB2  GLU  28           2HB      GLU  28   6.506  14.200   9.147
    4    HB3  GLU  28           3HB      GLU  28   7.575  15.074  10.215
    5    HG2  GLU  28           2HG      GLU  28   8.528  13.504   7.772
    6    HG3  GLU  28           3HG      GLU  28   8.095  15.204   7.751
    7    H    LEU  29           H        LEU  29   6.166  12.365   8.383
    8    HA   LEU  29           HA       LEU  29   7.488   9.894   7.583
    9    HG   LEU  29           HG       LEU  29   5.020   7.879   7.097
   10    HB2  LEU  29           2HB      LEU  29   5.732   9.438   9.493
   11    HB3  LEU  29           3HB      LEU  29   4.537   9.789   8.283
   12   HD11  LEU  29          1HD1      LEU  29   7.586   7.352   8.540
   13   HD12  LEU  29          2HD1      LEU  29   6.752   6.265   7.377
   14   HD13  LEU  29          3HD1      LEU  29   7.367   7.818   6.817
   15   HD21  LEU  29          3HD2      LEU  29   4.676   6.095   8.641
   16   HD22  LEU  29          1HD2      LEU  29   5.506   6.986   9.947
   17   HD23  LEU  29          2HD2      LEU  29   3.929   7.534   9.347
   18    H    SER  30           H        SER  30   6.033   8.924   5.645
   19    HA   SER  30           HA       SER  30   6.325  10.841   3.669
   20    HG   SER  30           HG       SER  30   6.432   7.433   4.038
   21    HB2  SER  30           2HB      SER  30   4.642   8.337   3.373
   22    HB3  SER  30           3HB      SER  30   5.507   9.207   2.116
   23    H    ASN  31           H        ASN  31   3.467  10.352   5.547
   24    HA   ASN  31           HA       ASN  31   1.273  10.846   5.404
   25    HB2  ASN  31           2HB      ASN  31   1.698  13.039   3.443
   26    HB3  ASN  31           3HB      ASN  31   0.619  12.953   4.809
   27   HD21  ASN  31          1HD2      ASN  31   3.635  14.049   3.684
   28   HD22  ASN  31          2HD2      ASN  31   4.261  14.603   5.224
   29    H    THR  32           H        THR  32   2.619   9.348   2.808
   30    HA   THR  32           HA       THR  32   0.168   9.415   1.078
   31    HB   THR  32           HB       THR  32   1.687   9.860  -0.827
   32    HG1  THR  32           1HG      THR  32   3.626  10.679   1.019
   33   HG21  THR  32          1HG2      THR  32   1.920  12.153  -0.582
   34   HG22  THR  32          2HG2      THR  32   0.530  11.731   0.432
   35   HG23  THR  32          3HG2      THR  32   2.096  12.076   1.180
   36    H    ARG  33           H        ARG  33   1.508   6.889   2.549
   37    HA   ARG  33           HA       ARG  33   2.088   5.388   0.038
   38    HE   ARG  33           HE       ARG  33   6.647   6.787  -1.442
   39    HB2  ARG  33           2HB      ARG  33   4.059   5.778   2.227
   40    HB3  ARG  33           3HB      ARG  33   4.113   4.386   1.094
   41    HG2  ARG  33           2HG      ARG  33   4.485   5.658  -0.718
   42    HG3  ARG  33           3HG      ARG  33   4.161   7.203   0.148
   43    HD2  ARG  33           2HD      ARG  33   6.151   6.818   1.505
   44    HD3  ARG  33           3HD      ARG  33   6.517   5.340   0.604
   45   HH11  ARG  33          1HH1      ARG  33   7.524   8.284   1.629
   46   HH12  ARG  33          2HH1      ARG  33   8.248   9.645   0.820
   47   HH21  ARG  33          1HH2      ARG  33   7.227   8.682  -2.324
   48   HH22  ARG  33          2HH2      ARG  33   8.116   9.852  -1.376
   49    H    LEU  34           H        LEU  34   1.402   3.575  -0.077
   50    HA   LEU  34           HA       LEU  34   0.087   2.410   2.223
   51    HG   LEU  34           HG       LEU  34  -2.484   3.110  -0.229
   52    HB2  LEU  34           2HB      LEU  34  -0.219   1.788  -0.603
   53    HB3  LEU  34           3HB      LEU  34  -1.331   1.395   0.678
   54   HD11  LEU  34          1HD1      LEU  34  -2.463   5.112   0.926
   55   HD12  LEU  34          2HD1      LEU  34  -1.722   4.006   2.082
   56   HD13  LEU  34          3HD1      LEU  34  -0.727   5.133   1.150
   57   HD21  LEU  34          3HD2      LEU  34  -1.602   4.998  -1.477
   58   HD22  LEU  34          1HD2      LEU  34   0.035   4.575  -1.076
   59   HD23  LEU  34          2HD2      LEU  34  -0.964   3.522  -2.110
   60    H    PHE  35           H        PHE  35   1.398   1.167   3.325
   61    HA   PHE  35           HA       PHE  35   3.382  -0.514   1.956
   62    HD1  PHE  35           HD1      PHE  35   5.393  -1.744   2.977
   63    HD2  PHE  35           HD2      PHE  35   3.873  -0.047   6.644
   64    HE1  PHE  35           HE1      PHE  35   7.017  -3.089   4.277
   65    HE2  PHE  35           HE2      PHE  35   5.465  -1.440   7.941
   66    HZ   PHE  35           HZ       PHE  35   7.061  -2.939   6.762
   67    HB2  PHE  35           2HB      PHE  35   4.343   0.806   3.390
   68    HB3  PHE  35           3HB      PHE  35   3.187   0.930   4.560
   69    H    VAL  36           H        VAL  36   2.379  -2.202   1.156
   70    HA   VAL  36           HA       VAL  36   0.944  -3.969   3.078
   71    HB   VAL  36           HB       VAL  36  -0.576  -4.626   1.300
   72   HG11  VAL  36          1HG1      VAL  36  -1.111  -3.039   3.152
   73   HG12  VAL  36          2HG1      VAL  36  -0.556  -1.690   2.152
   74   HG13  VAL  36          3HG1      VAL  36  -1.977  -2.633   1.646
   75   HG21  VAL  36          3HG2      VAL  36   0.173  -1.953   0.061
   76   HG22  VAL  36          1HG2      VAL  36   0.762  -3.528  -0.559
   77   HG23  VAL  36          2HG2      VAL  36  -0.988  -3.221  -0.498
   78    H    ARG  37           H        ARG  37   1.521  -5.832   3.230
   79    HA   ARG  37           HA       ARG  37   3.522  -7.149   1.493
   80    HE   ARG  37           HE       ARG  37   4.535  -4.139   7.153
   81    HB2  ARG  37           2HB      ARG  37   5.206  -7.029   3.424
   82    HB3  ARG  37           3HB      ARG  37   4.864  -5.535   2.582
   83    HG2  ARG  37           2HG      ARG  37   3.807  -4.523   4.332
   84    HG3  ARG  37           3HG      ARG  37   3.118  -6.012   4.934
   85    HD2  ARG  37           2HD      ARG  37   5.430  -6.625   5.813
   86    HD3  ARG  37           3HD      ARG  37   5.917  -4.980   5.417
   87   HH11  ARG  37          2HH2      ARG  37   3.935  -7.559   6.787
   88   HH12  ARG  37          1HH2      ARG  37   2.801  -7.635   8.085
   89   HH21  ARG  37          2HH1      ARG  37   3.055  -4.237   8.818
   90   HH22  ARG  37          1HH1      ARG  37   2.342  -5.779   9.246
   91    HA   PRO  38           HA       PRO  38   1.598 -10.322   4.452
   92    HB2  PRO  38           2HB      PRO  38  -0.835 -10.995   3.529
   93    HB3  PRO  38           3HB      PRO  38  -0.667  -9.545   4.569
   94    HG2  PRO  38           2HG      PRO  38  -0.832  -9.552   1.587
   95    HG3  PRO  38           3HG      PRO  38  -1.783  -8.633   2.764
   96    HD2  PRO  38           2HD      PRO  38   0.463  -7.575   1.626
   97    HD3  PRO  38           3HD      PRO  38   0.055  -7.224   3.327
   98    H    PHE  39           H        PHE  39   1.331  -9.745   0.997
   99    HA   PHE  39           HA       PHE  39   0.886 -12.403   0.152
  100    HD1  PHE  39           HD1      PHE  39   2.449  -8.478  -0.958
  101    HD2  PHE  39           HD2      PHE  39  -1.552 -10.092  -1.065
  102    HE1  PHE  39           HE1      PHE  39   1.498  -6.182  -0.822
  103    HE2  PHE  39           HE2      PHE  39  -2.479  -7.819  -0.810
  104    HZ   PHE  39           HZ       PHE  39  -0.967  -5.849  -0.756
  105    HB2  PHE  39           2HB      PHE  39   2.013 -10.670  -1.890
  106    HB3  PHE  39           3HB      PHE  39   0.441 -11.436  -1.815
  107    HA   PRO  40           HA       PRO  40   5.186 -13.516  -0.924
  108    HB2  PRO  40           2HB      PRO  40   4.517 -15.468  -2.893
  109    HB3  PRO  40           3HB      PRO  40   4.741 -15.749  -1.159
  110    HG2  PRO  40           2HG      PRO  40   2.269 -15.968  -2.599
  111    HG3  PRO  40           3HG      PRO  40   2.528 -16.043  -0.835
  112    HD2  PRO  40           2HD      PRO  40   1.686 -13.706  -2.513
  113    HD3  PRO  40           3HD      PRO  40   1.215 -14.163  -0.849
  114    H    LEU  41           H        LEU  41   6.079 -14.170  -3.522
  115    HA   LEU  41           HA       LEU  41   6.353 -11.688  -4.877
  116    HG   LEU  41           HG       LEU  41   8.750 -12.261  -5.482
  117    HB2  LEU  41           2HB      LEU  41   6.787 -14.593  -5.658
  118    HB3  LEU  41           3HB      LEU  41   7.017 -13.300  -6.823
  119   HD11  LEU  41          1HD1      LEU  41   8.164 -12.871  -3.183
  120   HD12  LEU  41          2HD1      LEU  41   8.396 -14.599  -3.553
  121   HD13  LEU  41          3HD1      LEU  41   9.774 -13.483  -3.559
  122   HD21  LEU  41          3HD2      LEU  41   9.327 -13.982  -7.147
  123   HD22  LEU  41          1HD2      LEU  41  10.467 -13.981  -5.789
  124   HD23  LEU  41          2HD2      LEU  41   9.214 -15.239  -5.896
  125    H    ASP  42           H        ASP  42   3.721 -13.916  -5.015
  126    HA   ASP  42           HA       ASP  42   2.610 -13.474  -7.565
  127    HB2  ASP  42           2HB      ASP  42   1.218 -14.151  -4.960
  128    HB3  ASP  42           3HB      ASP  42   0.592 -14.428  -6.579
  129    H    VAL  43           H        VAL  43   2.526 -11.083  -4.954
  130    HA   VAL  43           HA       VAL  43   0.117  -9.814  -6.055
  131    HB   VAL  43           HB       VAL  43   0.707  -9.378  -3.758
  132   HG11  VAL  43          1HG1      VAL  43   3.117  -7.889  -4.867
  133   HG12  VAL  43          2HG1      VAL  43   2.506  -7.725  -3.221
  134   HG13  VAL  43          3HG1      VAL  43   3.110  -9.298  -3.761
  135   HG21  VAL  43          3HG2      VAL  43  -0.692  -7.759  -4.999
  136   HG22  VAL  43          1HG2      VAL  43   0.256  -6.992  -3.732
  137   HG23  VAL  43          2HG2      VAL  43   0.754  -6.815  -5.414
  138    H    GLN  44           H        GLN  44  -0.008  -8.031  -7.455
  139    HA   GLN  44           HA       GLN  44   2.432  -6.885  -8.518
  140    HB2  GLN  44           2HB      GLN  44   0.880  -7.431 -10.893
  141    HB3  GLN  44           3HB      GLN  44   2.569  -7.663 -10.557
  142    HG2  GLN  44           2HG      GLN  44   1.888  -9.736 -11.280
  143    HG3  GLN  44           3HG      GLN  44   1.919  -9.954  -9.542
  144   HE21  GLN  44          2HE2      GLN  44   0.184 -11.348  -9.059
  145   HE22  GLN  44          1HE2      GLN  44  -1.434 -11.124  -9.679
  146    H    GLU  45           H        GLU  45   1.829  -5.161 -10.252
  147    HA   GLU  45           HA       GLU  45   0.200  -3.209  -9.012
  148    HB2  GLU  45           2HB      GLU  45   0.602  -1.877 -10.895
  149    HB3  GLU  45           3HB      GLU  45   2.047  -2.864 -10.719
  150    HG2  GLU  45           2HG      GLU  45  -0.240  -3.221 -12.682
  151    HG3  GLU  45           3HG      GLU  45   1.392  -2.676 -13.061
  152    H    SER  46           H        SER  46  -0.804  -5.728 -11.290
  153    HA   SER  46           HA       SER  46  -3.425  -4.659 -11.781
  154    HG   SER  46           HG       SER  46  -1.332  -5.993 -13.404
  155    HB2  SER  46           2HB      SER  46  -2.349  -7.481 -11.998
  156    HB3  SER  46           3HB      SER  46  -3.919  -6.932 -12.605
  157    H    GLU  47           H        GLU  47  -2.134  -6.466  -9.001
  158    HA   GLU  47           HA       GLU  47  -4.711  -7.510  -8.032
  159    HB2  GLU  47           2HB      GLU  47  -1.891  -7.279  -6.887
  160    HB3  GLU  47           3HB      GLU  47  -3.190  -8.048  -6.103
  161    HG2  GLU  47           2HG      GLU  47  -1.775  -8.878  -8.613
  162    HG3  GLU  47           3HG      GLU  47  -1.750  -9.681  -7.059
  163    H    LEU  48           H        LEU  48  -2.211  -5.052  -7.497
  164    HA   LEU  48           HA       LEU  48  -3.535  -3.641  -5.367
  165    HG   LEU  48           HG       LEU  48  -0.956  -4.916  -5.697
  166    HB2  LEU  48           2HB      LEU  48  -1.381  -2.823  -7.339
  167    HB3  LEU  48           3HB      LEU  48  -1.777  -1.984  -5.925
  168   HD11  LEU  48          1HD1      LEU  48   0.978  -2.597  -5.709
  169   HD12  LEU  48          2HD1      LEU  48   1.317  -4.335  -5.521
  170   HD13  LEU  48          3HD1      LEU  48   0.716  -3.732  -7.064
  171   HD21  LEU  48          3HD2      LEU  48  -0.631  -2.462  -3.982
  172   HD22  LEU  48          1HD2      LEU  48  -1.724  -3.860  -3.685
  173   HD23  LEU  48          2HD2      LEU  48   0.027  -4.095  -3.622
  174    H    ASN  49           H        ASN  49  -3.590  -3.414  -8.927
  175    HA   ASN  49           HA       ASN  49  -5.349  -1.088  -8.989
  176    HB2  ASN  49           2HB      ASN  49  -4.625  -3.174 -10.999
  177    HB3  ASN  49           3HB      ASN  49  -6.169  -2.384 -11.227
  178   HD21  ASN  49          2HD2      ASN  49  -2.700  -1.704 -10.848
  179   HD22  ASN  49          1HD2      ASN  49  -2.779  -0.144 -11.671
  180    H    GLU  50           H        GLU  50  -6.184  -4.605  -8.814
  181    HA   GLU  50           HA       GLU  50  -9.015  -4.212  -8.692
  182    HB2  GLU  50           2HB      GLU  50  -7.109  -6.322  -7.736
  183    HB3  GLU  50           3HB      GLU  50  -8.790  -6.407  -7.227
  184    HG2  GLU  50           2HG      GLU  50  -7.828  -6.261 -10.126
  185    HG3  GLU  50           3HG      GLU  50  -8.209  -7.751  -9.273
  186    H    ILE  51           H        ILE  51  -6.587  -4.037  -6.090
  187    HA   ILE  51           HA       ILE  51  -8.653  -3.770  -4.005
  188    HB   ILE  51           HB       ILE  51  -5.658  -3.827  -4.083
  189   HG12  ILE  51          2HG1      ILE  51  -7.536  -5.899  -2.891
  190   HG13  ILE  51          3HG1      ILE  51  -6.966  -5.954  -4.549
  191   HG21  ILE  51          1HG2      ILE  51  -6.269  -2.465  -2.097
  192   HG22  ILE  51          2HG2      ILE  51  -7.434  -3.712  -1.601
  193   HG23  ILE  51          3HG2      ILE  51  -5.686  -4.037  -1.575
  194   HD11  ILE  51          3HD1      ILE  51  -4.578  -5.953  -3.682
  195   HD12  ILE  51          1HD1      ILE  51  -5.253  -6.210  -2.053
  196   HD13  ILE  51          2HD1      ILE  51  -5.533  -7.398  -3.340
  197    H    PHE  52           H        PHE  52  -6.393  -1.581  -5.629
  198    HA   PHE  52           HA       PHE  52  -7.047   0.665  -3.813
  199    HD1  PHE  52           HD2      PHE  52  -4.677  -1.962  -4.217
  200    HD2  PHE  52           HD1      PHE  52  -3.865   2.024  -2.809
  201    HE1  PHE  52           HE2      PHE  52  -3.188  -2.896  -2.512
  202    HE2  PHE  52           HE1      PHE  52  -2.261   1.076  -1.227
  203    HZ   PHE  52           HZ       PHE  52  -1.791  -1.366  -1.165
  204    HB2  PHE  52           2HB      PHE  52  -4.771   0.327  -5.729
  205    HB3  PHE  52           3HB      PHE  52  -5.076   1.754  -4.786
  206    H    GLY  53           H        GLY  53  -7.632  -0.400  -7.080
  207    HA2  GLY  53           2HA      GLY  53  -8.179   1.978  -8.478
  208    HA3  GLY  53           3HA      GLY  53  -9.036   0.443  -8.656
  209    HA   PRO  54           HA       PRO  54 -12.508   2.151  -6.224
  210    HB2  PRO  54           2HB      PRO  54 -11.666   1.296  -3.470
  211    HB3  PRO  54           3HB      PRO  54 -13.228   1.039  -4.307
  212    HG2  PRO  54           2HG      PRO  54 -11.472  -1.006  -4.022
  213    HG3  PRO  54           3HG      PRO  54 -12.317  -0.772  -5.595
  214    HD2  PRO  54           2HD      PRO  54  -9.593   0.249  -4.767
  215    HD3  PRO  54           3HD      PRO  54  -9.952  -0.764  -6.182
  216    H    PHE  55           H        PHE  55  -9.331   2.765  -4.730
  217    HA   PHE  55           HA       PHE  55 -10.139   5.232  -3.362
  218    HD1  PHE  55           HD1      PHE  55 -10.150   3.197  -2.055
  219    HD2  PHE  55           HD2      PHE  55  -5.894   3.058  -2.700
  220    HE1  PHE  55           HE1      PHE  55 -10.051   1.027  -0.895
  221    HE2  PHE  55           HE2      PHE  55  -5.775   1.010  -1.242
  222    HZ   PHE  55           HZ       PHE  55  -7.878  -0.033  -0.435
  223    HB2  PHE  55           2HB      PHE  55  -7.274   4.463  -4.011
  224    HB3  PHE  55           3HB      PHE  55  -7.898   5.431  -2.728
  225    H    GLY  56           H        GLY  56  -8.040   4.322  -6.081
  226    HA2  GLY  56           2HA      GLY  56  -8.583   5.171  -8.217
  227    HA3  GLY  56           3HA      GLY  56  -8.930   6.750  -7.515
  228    HA   PRO  57           HA       PRO  57  -5.174   8.289  -8.756
  229    HB2  PRO  57           2HB      PRO  57  -4.280  10.051  -6.878
  230    HB3  PRO  57           3HB      PRO  57  -5.910  10.151  -7.592
  231    HG2  PRO  57           2HG      PRO  57  -5.122   8.791  -4.991
  232    HG3  PRO  57           3HG      PRO  57  -6.374  10.060  -5.230
  233    HD2  PRO  57           2HD      PRO  57  -6.990   7.414  -5.219
  234    HD3  PRO  57           3HD      PRO  57  -7.819   8.553  -6.325
  235    H    MET  58           H        MET  58  -4.548   5.624  -7.485
  236    HA   MET  58           HA       MET  58  -2.016   5.364  -6.228
  237    HB2  MET  58           2HB      MET  58  -1.788   3.298  -7.512
  238    HB3  MET  58           3HB      MET  58  -3.197   3.444  -6.468
  239    HG2  MET  58           2HG      MET  58  -4.682   3.344  -8.154
  240    HG3  MET  58           3HG      MET  58  -3.674   4.267  -9.279
  241    HE1  MET  58           3HE      MET  58  -2.925  -0.200  -8.341
  242    HE2  MET  58           1HE      MET  58  -2.658   1.142  -7.202
  243    HE3  MET  58           2HE      MET  58  -4.311   0.720  -7.707
  244    H    LYS  59           H        LYS  59  -0.509   6.769  -6.658
  245    HA   LYS  59           HA       LYS  59   0.234   7.679  -9.328
  246    HB2  LYS  59           2HB      LYS  59  -0.255   9.030  -7.268
  247    HB3  LYS  59           3HB      LYS  59   1.138   8.283  -6.481
  248    HG2  LYS  59           2HG      LYS  59   1.462   9.887  -8.998
  249    HG3  LYS  59           3HG      LYS  59   1.209  10.632  -7.434
  250    HD2  LYS  59           2HD      LYS  59   3.593   9.037  -8.318
  251    HD3  LYS  59           3HD      LYS  59   3.399  10.681  -7.713
  252    HE2  LYS  59           2HE      LYS  59   3.077   9.992  -5.477
  253    HE3  LYS  59           3HE      LYS  59   3.146   8.275  -5.941
  254    HZ1  LYS  59           3HZ      LYS  59   5.464   8.592  -6.635
  255    HZ2  LYS  59           1HZ      LYS  59   5.389  10.196  -6.310
  256    HZ3  LYS  59           2HZ      LYS  59   5.308   9.105  -5.097
  257    H    GLU  60           H        GLU  60   1.469   5.626  -6.735
  258    HA   GLU  60           HA       GLU  60   3.347   4.436  -8.600
  259    HB2  GLU  60           2HB      GLU  60   4.345   6.308  -6.616
  260    HB3  GLU  60           3HB      GLU  60   4.854   4.680  -6.151
  261    HG2  GLU  60           2HG      GLU  60   5.926   4.354  -8.305
  262    HG3  GLU  60           3HG      GLU  60   5.270   5.882  -8.920
  263    H    VAL  61           H        VAL  61   4.189   2.511  -7.988
  264    HA   VAL  61           HA       VAL  61   2.598   0.927  -6.079
  265    HB   VAL  61           HB       VAL  61   2.542   0.291  -9.096
  266   HG11  VAL  61          1HG1      VAL  61   1.998  -1.441  -7.387
  267   HG12  VAL  61          2HG1      VAL  61   0.587  -0.479  -6.899
  268   HG13  VAL  61          3HG1      VAL  61   0.690  -1.127  -8.546
  269   HG21  VAL  61          3HG2      VAL  61   0.327   1.869  -7.756
  270   HG22  VAL  61          1HG2      VAL  61   1.365   2.403  -9.089
  271   HG23  VAL  61          2HG2      VAL  61   0.238   1.075  -9.329
  272    H    LYS  62           H        LYS  62   4.834   1.077  -5.367
  273    HA   LYS  62           HA       LYS  62   6.978  -0.061  -6.965
  274    HB2  LYS  62           2HB      LYS  62   6.939   0.460  -3.978
  275    HB3  LYS  62           3HB      LYS  62   8.344   0.358  -5.026
  276    HG2  LYS  62           2HG      LYS  62   7.526   2.466  -6.207
  277    HG3  LYS  62           3HG      LYS  62   6.190   2.544  -5.062
  278    HD2  LYS  62           2HD      LYS  62   7.631   3.975  -4.012
  279    HD3  LYS  62           3HD      LYS  62   8.064   2.464  -3.219
  280    HE2  LYS  62           2HE      LYS  62  10.182   3.123  -3.803
  281    HE3  LYS  62           3HE      LYS  62   9.753   2.268  -5.296
  282    HZ1  LYS  62           3HZ      LYS  62   9.609   5.204  -4.807
  283    HZ2  LYS  62           1HZ      LYS  62  10.614   4.453  -5.852
  284    HZ3  LYS  62           2HZ      LYS  62   9.002   4.538  -6.150
  285    H    ILE  63           H        ILE  63   7.122  -2.176  -7.337
  286    HA   ILE  63           HA       ILE  63   5.870  -4.147  -5.454
  287    HB   ILE  63           HB       ILE  63   6.592  -4.746  -8.332
  288   HG12  ILE  63          2HG1      ILE  63   4.951  -3.007  -8.574
  289   HG13  ILE  63          3HG1      ILE  63   4.384  -4.558  -9.125
  290   HG21  ILE  63          1HG2      ILE  63   4.937  -6.610  -8.014
  291   HG22  ILE  63          2HG2      ILE  63   6.331  -6.717  -6.946
  292   HG23  ILE  63          3HG2      ILE  63   4.785  -6.134  -6.311
  293   HD11  ILE  63          3HD1      ILE  63   2.998  -4.834  -7.078
  294   HD12  ILE  63          1HD1      ILE  63   3.528  -3.234  -6.514
  295   HD13  ILE  63          2HD1      ILE  63   2.602  -3.410  -8.028
  296    H    LEU  64           H        LEU  64   7.154  -5.429  -4.393
  297    HA   LEU  64           HA       LEU  64   9.778  -6.325  -5.498
  298    HG   LEU  64           HG       LEU  64  10.925  -3.999  -4.446
  299    HB2  LEU  64           2HB      LEU  64   9.239  -5.721  -2.587
  300    HB3  LEU  64           3HB      LEU  64  10.741  -6.132  -3.344
  301   HD11  LEU  64          1HD1      LEU  64   9.465  -2.044  -3.383
  302   HD12  LEU  64          2HD1      LEU  64   9.143  -2.767  -4.928
  303   HD13  LEU  64          3HD1      LEU  64   8.215  -3.305  -3.506
  304   HD21  LEU  64          3HD2      LEU  64  11.325  -2.659  -2.433
  305   HD22  LEU  64          1HD2      LEU  64  10.473  -3.925  -1.504
  306   HD23  LEU  64          2HD2      LEU  64  11.964  -4.312  -2.373
  307    H    ASN  65           H        ASN  65  10.472  -8.283  -4.366
  308    HA   ASN  65           HA       ASN  65   8.772 -10.471  -4.201
  309    HB2  ASN  65           2HB      ASN  65  10.530 -11.090  -2.323
  310    HB3  ASN  65           3HB      ASN  65  10.934 -11.168  -4.040
  311   HD21  ASN  65          2HD2      ASN  65  10.883  -8.820  -1.317
  312   HD22  ASN  65          1HD2      ASN  65  12.462  -8.107  -1.681
  313    H    GLY  66           H        GLY  66   6.761 -10.158  -3.180
  314    HA2  GLY  66           2HA      GLY  66   5.403 -10.536  -1.352
  315    HA3  GLY  66           3HA      GLY  66   6.816 -10.647  -0.318
  316    H    PHE  67           H        PHE  67   6.941  -7.730  -2.032
  317    HA   PHE  67           HA       PHE  67   5.182  -6.269  -0.058
  318    HD1  PHE  67           HD1      PHE  67   9.010  -7.327  -0.346
  319    HD2  PHE  67           HD2      PHE  67   6.991  -4.874   2.526
  320    HE1  PHE  67           HE1      PHE  67  10.034  -8.662   1.472
  321    HE2  PHE  67           HE2      PHE  67   8.117  -6.107   4.369
  322    HZ   PHE  67           HZ       PHE  67   9.622  -8.022   3.856
  323    HB2  PHE  67           2HB      PHE  67   7.847  -5.181  -0.955
  324    HB3  PHE  67           3HB      PHE  67   6.729  -4.465   0.178
  325    H    ALA  68           H        ALA  68   4.153  -4.501  -0.668
  326    HA   ALA  68           HA       ALA  68   4.473  -3.246  -3.374
  327    HB1  ALA  68           1HB      ALA  68   2.705  -4.784  -3.675
  328    HB2  ALA  68           2HB      ALA  68   1.938  -4.302  -2.154
  329    HB3  ALA  68           3HB      ALA  68   2.053  -3.134  -3.495
  330    H    PHE  69           H        PHE  69   5.071  -1.299  -2.942
  331    HA   PHE  69           HA       PHE  69   3.878   0.187  -0.645
  332    HD1  PHE  69           HD2      PHE  69   7.101  -1.360  -2.370
  333    HD2  PHE  69           HD1      PHE  69   6.845   0.583   1.445
  334    HE1  PHE  69           HE2      PHE  69   8.564  -3.066  -1.396
  335    HE2  PHE  69           HE1      PHE  69   8.477  -1.049   2.373
  336    HZ   PHE  69           HZ       PHE  69   9.414  -2.875   0.852
  337    HB2  PHE  69           2HB      PHE  69   6.379   1.142  -2.012
  338    HB3  PHE  69           3HB      PHE  69   5.746   1.555  -0.440
  339    H    VAL  70           H        VAL  70   2.051   0.526  -1.719
  340    HA   VAL  70           HA       VAL  70   2.091   1.942  -4.305
  341    HB   VAL  70           HB       VAL  70  -0.373   1.588  -2.613
  342   HG11  VAL  70          1HG1      VAL  70   0.099   1.488  -5.600
  343   HG12  VAL  70          2HG1      VAL  70  -1.463   1.382  -4.803
  344   HG13  VAL  70          3HG1      VAL  70  -0.572   2.941  -4.774
  345   HG21  VAL  70          3HG2      VAL  70   0.898  -0.260  -4.585
  346   HG22  VAL  70          1HG2      VAL  70   0.542  -0.605  -2.834
  347   HG23  VAL  70          2HG2      VAL  70  -0.797  -0.381  -3.980
  348    H    GLU  71           H        GLU  71   1.225   4.126  -4.477
  349    HA   GLU  71           HA       GLU  71   1.815   5.870  -2.110
  350    HB2  GLU  71           2HB      GLU  71   3.930   5.035  -3.308
  351    HB3  GLU  71           3HB      GLU  71   3.345   5.875  -4.730
  352    HG2  GLU  71           2HG      GLU  71   3.464   8.016  -3.718
  353    HG3  GLU  71           3HG      GLU  71   3.685   7.347  -2.114
  354    H    PHE  72           H        PHE  72   1.191   7.961  -2.436
  355    HA   PHE  72           HA       PHE  72  -0.142   8.752  -4.988
  356    HD1  PHE  72           HD1      PHE  72  -2.300   7.332  -5.074
  357    HD2  PHE  72           HD2      PHE  72  -2.220   8.045  -0.852
  358    HE1  PHE  72           HE1      PHE  72  -3.947   5.493  -4.737
  359    HE2  PHE  72           HE2      PHE  72  -3.881   6.233  -0.521
  360    HZ   PHE  72           HZ       PHE  72  -4.766   4.978  -2.462
  361    HB2  PHE  72           2HB      PHE  72  -1.112   9.527  -2.227
  362    HB3  PHE  72           3HB      PHE  72  -1.886   9.773  -3.765
  363    H    GLU  73           H        GLU  73  -0.405  11.123  -5.134
  364    HA   GLU  73           HA       GLU  73   2.079  12.453  -4.144
  365    HB2  GLU  73           2HB      GLU  73   1.841  14.059  -5.923
  366    HB3  GLU  73           3HB      GLU  73   2.032  12.400  -6.456
  367    HG2  GLU  73           2HG      GLU  73  -0.439  12.284  -6.905
  368    HG3  GLU  73           3HG      GLU  73  -0.600  13.951  -6.353
  369    H    GLU  74           H        GLU  74  -0.950  12.198  -3.002
  370    HA   GLU  74           HA       GLU  74  -0.662  14.633  -1.423
  371    HB2  GLU  74           2HB      GLU  74  -3.121  15.204  -1.650
  372    HB3  GLU  74           3HB      GLU  74  -2.042  15.635  -2.951
  373    HG2  GLU  74           2HG      GLU  74  -3.940  14.977  -4.044
  374    HG3  GLU  74           3HG      GLU  74  -2.870  13.607  -4.260
  375    H    ALA  75           H        ALA  75  -2.440  14.550   0.428
  376    HA   ALA  75           HA       ALA  75  -2.052  11.837   1.585
  377    HB1  ALA  75           1HB      ALA  75  -2.048  12.995   3.730
  378    HB2  ALA  75           2HB      ALA  75  -0.878  13.737   2.625
  379    HB3  ALA  75           3HB      ALA  75  -2.442  14.534   2.934
  380    H    GLU  76           H        GLU  76  -4.658  13.489   0.266
  381    HA   GLU  76           HA       GLU  76  -6.751  12.751   2.223
  382    HB2  GLU  76           2HB      GLU  76  -7.014  13.474  -0.713
  383    HB3  GLU  76           3HB      GLU  76  -8.290  13.466   0.500
  384    HG2  GLU  76           2HG      GLU  76  -5.935  15.386   0.281
  385    HG3  GLU  76           3HG      GLU  76  -7.636  15.761   0.037
  386    H    SER  77           H        SER  77  -5.357  11.627  -0.776
  387    HA   SER  77           HA       SER  77  -6.896   9.277  -1.329
  388    HG   SER  77           HG       SER  77  -3.919  11.253  -1.799
  389    HB2  SER  77           2HB      SER  77  -4.810   8.677  -2.593
  390    HB3  SER  77           3HB      SER  77  -5.421  10.285  -2.966
  391    H    ALA  78           H        ALA  78  -3.837   9.763   0.398
  392    HA   ALA  78           HA       ALA  78  -3.578   7.122   1.421
  393    HB1  ALA  78           1HB      ALA  78  -1.780   8.765   1.464
  394    HB2  ALA  78           2HB      ALA  78  -2.617   9.689   2.729
  395    HB3  ALA  78           3HB      ALA  78  -2.037   8.037   3.050
  396    H    ALA  79           H        ALA  79  -5.212   9.949   3.005
  397    HA   ALA  79           HA       ALA  79  -6.064   8.660   5.343
  398    HB1  ALA  79           1HB      ALA  79  -6.213  11.076   4.939
  399    HB2  ALA  79           2HB      ALA  79  -7.530  10.808   3.775
  400    HB3  ALA  79           3HB      ALA  79  -7.758  10.396   5.483
  401    H    LYS  80           H        LYS  80  -7.903   8.835   2.217
  402    HA   LYS  80           HA       LYS  80  -9.877   7.018   3.255
  403    HB2  LYS  80           2HB      LYS  80 -10.780   6.832   1.022
  404    HB3  LYS  80           3HB      LYS  80 -10.369   8.523   1.366
  405    HG2  LYS  80           2HG      LYS  80  -8.358   8.314   0.016
  406    HG3  LYS  80           3HG      LYS  80  -8.712   6.601  -0.337
  407    HD2  LYS  80           2HD      LYS  80 -10.536   7.164  -1.722
  408    HD3  LYS  80           3HD      LYS  80 -10.773   8.746  -0.951
  409    HE2  LYS  80           2HE      LYS  80  -8.772   9.640  -1.951
  410    HE3  LYS  80           3HE      LYS  80  -8.377   8.081  -2.699
  411    HZ1  LYS  80           3HZ      LYS  80 -10.898   9.536  -3.300
  412    HZ2  LYS  80           1HZ      LYS  80  -9.535   9.763  -4.168
  413    HZ3  LYS  80           2HZ      LYS  80 -10.229   8.292  -4.143
  414    H    ALA  81           H        ALA  81  -6.963   6.354   1.303
  415    HA   ALA  81           HA       ALA  81  -7.508   3.645   0.816
  416    HB1  ALA  81           1HB      ALA  81  -5.107   3.354   0.484
  417    HB2  ALA  81           2HB      ALA  81  -5.701   4.845  -0.241
  418    HB3  ALA  81           3HB      ALA  81  -4.796   4.910   1.288
  419    H    ILE  82           H        ILE  82  -5.914   5.214   3.629
  420    HA   ILE  82           HA       ILE  82  -5.401   2.987   5.257
  421    HB   ILE  82           HB       ILE  82  -6.204   5.799   6.041
  422   HG12  ILE  82          2HG1      ILE  82  -3.437   4.736   6.467
  423   HG13  ILE  82          3HG1      ILE  82  -3.871   5.165   4.817
  424   HG21  ILE  82          1HG2      ILE  82  -5.236   5.313   8.292
  425   HG22  ILE  82          2HG2      ILE  82  -6.670   4.356   7.970
  426   HG23  ILE  82          3HG2      ILE  82  -5.063   3.611   7.830
  427   HD11  ILE  82          3HD1      ILE  82  -2.844   7.071   5.933
  428   HD12  ILE  82          1HD1      ILE  82  -4.560   7.398   5.627
  429   HD13  ILE  82          2HD1      ILE  82  -4.039   6.989   7.257
  430    H    GLU  83           H        GLU  83  -8.314   5.147   5.411
  431    HA   GLU  83           HA       GLU  83  -9.646   3.459   7.278
  432    HB2  GLU  83           2HB      GLU  83 -10.714   5.519   5.333
  433    HB3  GLU  83           3HB      GLU  83 -11.695   4.749   6.589
  434    HG2  GLU  83           2HG      GLU  83  -9.167   6.395   7.107
  435    HG3  GLU  83           3HG      GLU  83 -10.819   6.968   7.271
  436    H    GLU  84           H        GLU  84  -9.513   3.171   3.792
  437    HA   GLU  84           HA       GLU  84 -11.814   1.451   3.410
  438    HB2  GLU  84           2HB      GLU  84  -9.277   1.933   1.795
  439    HB3  GLU  84           3HB      GLU  84 -10.534   0.826   1.265
  440    HG2  GLU  84           2HG      GLU  84 -11.251   3.645   1.937
  441    HG3  GLU  84           3HG      GLU  84 -10.459   3.331   0.414
  442    H    VAL  85           H        VAL  85  -8.325   0.772   3.865
  443    HA   VAL  85           HA       VAL  85  -8.951  -2.105   4.335
  444    HB   VAL  85           HB       VAL  85  -8.896  -1.552   1.900
  445   HG11  VAL  85          1HG1      VAL  85  -7.132   0.035   1.807
  446   HG12  VAL  85          2HG1      VAL  85  -5.970  -1.175   2.439
  447   HG13  VAL  85          3HG1      VAL  85  -6.677  -1.380   0.832
  448   HG21  VAL  85          3HG2      VAL  85  -8.755  -3.823   2.639
  449   HG22  VAL  85          1HG2      VAL  85  -7.694  -3.560   1.248
  450   HG23  VAL  85          2HG2      VAL  85  -7.009  -3.687   2.873
  451    H    HIS  86           H        HIS  86  -7.052   0.453   5.454
  452    HA   HIS  86           HA       HIS  86  -4.708  -1.112   6.219
  453    HD1  HIS  86           HD1      HIS  86  -2.431   1.726   7.059
  454    HD2  HIS  86           HD2      HIS  86  -4.765  -0.283   9.908
  455    HE1  HIS  86           HE1      HIS  86  -0.886   1.256   9.055
  456    HB2  HIS  86           2HB      HIS  86  -4.854   1.393   6.326
  457    HB3  HIS  86           3HB      HIS  86  -5.944   1.248   7.697
  458    H    GLY  87           H        GLY  87  -4.824  -2.872   7.449
  459    HA2  GLY  87           2HA      GLY  87  -4.885  -3.703   9.727
  460    HA3  GLY  87           3HA      GLY  87  -6.335  -2.750  10.048
  461    H    LYS  88           H        LYS  88  -6.623  -4.007   6.997
  462    HA   LYS  88           HA       LYS  88  -8.538  -6.117   7.765
  463    HB2  LYS  88           2HB      LYS  88  -7.875  -4.507   5.283
  464    HB3  LYS  88           3HB      LYS  88  -8.870  -5.872   5.224
  465    HG2  LYS  88           2HG      LYS  88 -10.263  -3.922   5.294
  466    HG3  LYS  88           3HG      LYS  88 -10.523  -4.826   6.782
  467    HD2  LYS  88           2HD      LYS  88  -9.531  -3.195   8.126
  468    HD3  LYS  88           3HD      LYS  88  -8.446  -2.665   6.834
  469    HE2  LYS  88           2HE      LYS  88 -10.284  -1.632   5.635
  470    HE3  LYS  88           3HE      LYS  88 -11.407  -2.042   6.929
  471    HZ1  LYS  88           3HZ      LYS  88 -10.420   0.277   7.013
  472    HZ2  LYS  88           1HZ      LYS  88 -10.242  -0.578   8.404
  473    HZ3  LYS  88           2HZ      LYS  88  -8.968  -0.397   7.416
  474    H    SER  89           H        SER  89  -8.176  -8.116   7.359
  475    HA   SER  89           HA       SER  89  -5.470  -9.072   6.937
  476    HG   SER  89           HG       SER  89  -8.578 -10.824   6.607
  477    HB2  SER  89           2HB      SER  89  -6.452 -11.285   7.459
  478    HB3  SER  89           3HB      SER  89  -6.781 -10.043   8.670
  479    H    PHE  90           H        PHE  90  -4.694  -8.931   4.820
  480    HA   PHE  90           HA       PHE  90  -6.295 -10.392   2.712
  481    HD1  PHE  90           HD2      PHE  90  -3.326 -10.314   0.474
  482    HD2  PHE  90           HD1      PHE  90  -6.998  -8.065   0.684
  483    HE1  PHE  90           HE2      PHE  90  -3.852 -10.956  -1.872
  484    HE2  PHE  90           HE1      PHE  90  -7.488  -8.648  -1.684
  485    HZ   PHE  90           HZ       PHE  90  -5.963 -10.169  -2.911
  486    HB2  PHE  90           2HB      PHE  90  -5.447  -7.990   2.456
  487    HB3  PHE  90           3HB      PHE  90  -3.858  -8.704   2.415
  488    H    ALA  91           H        ALA  91  -5.378 -12.132   1.696
  489    HA   ALA  91           HA       ALA  91  -4.324 -14.073   1.414
  490    HB1  ALA  91           1HB      ALA  91  -2.711 -12.590   0.392
  491    HB2  ALA  91           2HB      ALA  91  -1.861 -12.372   1.932
  492    HB3  ALA  91           3HB      ALA  91  -1.881 -13.965   1.138
  493    H    ASN  92           H        ASN  92  -2.683 -12.739   4.313
  494    HA   ASN  92           HA       ASN  92  -3.568 -14.979   5.960
  495    HB2  ASN  92           2HB      ASN  92  -1.336 -15.727   6.628
  496    HB3  ASN  92           3HB      ASN  92  -1.533 -15.932   4.889
  497   HD21  ASN  92          1HD2      ASN  92  -0.229 -14.610   3.465
  498   HD22  ASN  92          2HD2      ASN  92   1.051 -13.579   4.096
  499    H    GLN  93           H        GLN  93  -2.666 -11.653   5.697
  500    HA   GLN  93           HA       GLN  93  -2.856 -11.191   8.577
  501    HB2  GLN  93           2HB      GLN  93  -0.610 -10.367   8.917
  502    HB3  GLN  93           3HB      GLN  93  -0.507 -12.014   8.338
  503    HG2  GLN  93           2HG      GLN  93  -0.068 -11.124   6.050
  504    HG3  GLN  93           3HG      GLN  93  -0.068  -9.474   6.720
  505   HE21  GLN  93          2HE2      GLN  93   1.654 -12.557   6.610
  506   HE22  GLN  93          1HE2      GLN  93   3.215 -11.862   7.026
  507    HA   PRO  94           HA       PRO  94  -4.188  -7.419   7.053
  508    HB2  PRO  94           2HB      PRO  94  -3.725  -5.549   9.069
  509    HB3  PRO  94           3HB      PRO  94  -4.931  -6.869   9.196
  510    HG2  PRO  94           2HG      PRO  94  -2.059  -6.877  10.186
  511    HG3  PRO  94           3HG      PRO  94  -3.543  -7.313  11.103
  512    HD2  PRO  94           2HD      PRO  94  -1.992  -9.183   9.972
  513    HD3  PRO  94           3HD      PRO  94  -3.772  -9.328   9.862
  514    H    LEU  95           H        LEU  95  -3.975  -5.627   6.108
  515    HA   LEU  95           HA       LEU  95  -1.464  -4.791   4.905
  516    HG   LEU  95           HG       LEU  95  -2.757  -4.632   2.371
  517    HB2  LEU  95           2HB      LEU  95  -4.434  -4.183   4.786
  518    HB3  LEU  95           3HB      LEU  95  -3.329  -3.116   3.980
  519   HD11  LEU  95          1HD1      LEU  95  -2.751  -6.853   2.288
  520   HD12  LEU  95          2HD1      LEU  95  -1.858  -6.387   3.708
  521   HD13  LEU  95          3HD1      LEU  95  -3.506  -7.026   3.927
  522   HD21  LEU  95          3HD2      LEU  95  -5.066  -4.262   1.990
  523   HD22  LEU  95          1HD2      LEU  95  -4.645  -5.947   1.590
  524   HD23  LEU  95          2HD2      LEU  95  -5.500  -5.586   3.113
  525    H    GLU  96           H        GLU  96  -0.321  -2.923   5.068
  526    HA   GLU  96           HA       GLU  96  -1.044  -1.101   7.310
  527    HB2  GLU  96           2HB      GLU  96   0.779  -2.781   7.677
  528    HB3  GLU  96           3HB      GLU  96   1.775  -1.902   6.521
  529    HG2  GLU  96           2HG      GLU  96   1.510   0.146   7.883
  530    HG3  GLU  96           3HG      GLU  96   0.563  -0.773   9.061
  531    H    VAL  97           H        VAL  97  -2.207  -0.622   5.166
  532    HA   VAL  97           HA       VAL  97  -1.016   1.021   3.141
  533    HB   VAL  97           HB       VAL  97  -3.822   0.788   4.311
  534   HG11  VAL  97          1HG1      VAL  97  -3.739   2.995   3.202
  535   HG12  VAL  97          2HG1      VAL  97  -3.084   2.226   1.740
  536   HG13  VAL  97          3HG1      VAL  97  -4.700   1.845   2.258
  537   HG21  VAL  97          3HG2      VAL  97  -2.420  -0.296   1.801
  538   HG22  VAL  97          1HG2      VAL  97  -3.239  -1.212   3.092
  539   HG23  VAL  97          2HG2      VAL  97  -4.160  -0.287   1.899
  540    H    VAL  98           H        VAL  98   0.169   2.846   3.885
  541    HA   VAL  98           HA       VAL  98  -1.311   4.657   5.713
  542    HB   VAL  98           HB       VAL  98  -0.196   2.485   6.753
  543   HG11  VAL  98          1HG1      VAL  98   2.193   4.118   7.411
  544   HG12  VAL  98          2HG1      VAL  98   1.778   2.462   7.765
  545   HG13  VAL  98          3HG1      VAL  98   2.142   2.877   6.099
  546   HG21  VAL  98          3HG2      VAL  98  -0.299   3.550   8.878
  547   HG22  VAL  98          1HG2      VAL  98  -0.491   5.125   8.052
  548   HG23  VAL  98          2HG2      VAL  98  -1.669   3.793   7.769
  549    H    TYR  99           H        TYR  99   1.621   5.333   6.504
  550    HA   TYR  99           HA       TYR  99   2.265   7.212   4.265
  551    HD1  TYR  99           HD1      TYR  99   0.274   8.205   4.784
  552    HD2  TYR  99           HD2      TYR  99   2.076   9.096   8.599
  553    HE1  TYR  99           HE1      TYR  99  -1.709   9.553   5.395
  554    HE2  TYR  99           HE2      TYR  99   0.056  10.423   9.225
  555    HH   TYR  99           HH       TYR  99  -2.009  11.175   8.579
  556    HB2  TYR  99           2HB      TYR  99   2.884   7.267   7.223
  557    HB3  TYR  99           3HB      TYR  99   3.334   8.525   6.076
  558    H    SER 100           H        SER 100   2.850   4.371   4.464
  559    HA   SER 100           HA       SER 100   4.308   2.787   5.012
  560    HG   SER 100           HG       SER 100   7.008   2.755   3.427
  561    HB2  SER 100           2HB      SER 100   4.220   2.830   2.730
  562    HB3  SER 100           3HB      SER 100   5.386   4.116   2.686
  563    H    LYS 101           H        LYS 101   5.142   2.794   6.973
  564    HA   LYS 101           HA       LYS 101   7.857   3.806   7.588
  565    HB2  LYS 101           2HB      LYS 101   6.141   1.693   8.957
  566    HB3  LYS 101           3HB      LYS 101   7.609   2.441   9.615
  567    HG2  LYS 101           2HG      LYS 101   6.500   4.629   9.682
  568    HG3  LYS 101           3HG      LYS 101   5.000   3.900   9.086
  569    HD2  LYS 101           2HD      LYS 101   6.351   3.123  11.713
  570    HD3  LYS 101           3HD      LYS 101   5.053   4.304  11.543
  571    HE2  LYS 101           2HE      LYS 101   3.790   2.459  12.080
  572    HE3  LYS 101           3HE      LYS 101   3.761   2.384  10.314
  573    HZ1  LYS 101           3HZ      LYS 101   5.275   0.669  12.192
  574    HZ2  LYS 101           1HZ      LYS 101   4.342   0.252  10.865
  575    HZ3  LYS 101           2HZ      LYS 101   5.854   0.860  10.722
  576    H    LEU 102           H        LEU 102   9.383   1.909   8.406
  577    HA   LEU 102           HA       LEU 102   9.036  -0.648   7.130
  578    HG   LEU 102           HG       LEU 102  11.995  -1.423   6.298
  579    HB2  LEU 102           2HB      LEU 102  10.005   0.626   5.237
  580    HB3  LEU 102           3HB      LEU 102  11.425   0.993   6.204
  581   HD11  LEU 102          1HD1      LEU 102   9.528  -1.776   4.534
  582   HD12  LEU 102          2HD1      LEU 102  10.785  -3.009   4.777
  583   HD13  LEU 102          3HD1      LEU 102   9.796  -2.488   6.143
  584   HD21  LEU 102          3HD2      LEU 102  12.601  -1.679   3.940
  585   HD22  LEU 102          1HD2      LEU 102  11.429  -0.424   3.479
  586   HD23  LEU 102          2HD2      LEU 102  12.849  -0.007   4.461
  587    HA   PRO 103           HA       PRO 103  12.671  -1.144  10.121
  588    HB2  PRO 103           2HB      PRO 103  13.837   0.877  11.504
  589    HB3  PRO 103           3HB      PRO 103  14.209   0.572   9.773
  590    HG2  PRO 103           2HG      PRO 103  12.215   2.565  10.913
  591    HG3  PRO 103           3HG      PRO 103  13.527   2.875   9.729
  592    HD2  PRO 103           2HD      PRO 103  10.971   2.398   8.962
  593    HD3  PRO 103           3HD      PRO 103  12.360   1.799   8.005
  594    H    ALA 104           H        ALA 104   9.841   0.501  10.827
  595    HA   ALA 104           HA       ALA 104   9.419  -0.707  13.429
  596    HB1  ALA 104           1HB      ALA 104  10.568   1.394  14.087
  597    HB2  ALA 104           2HB      ALA 104   9.438   2.337  13.087
  598    HB3  ALA 104           3HB      ALA 104   8.852   1.469  14.517
  Start of MODEL   17
    1    H    GLU  28           H        GLU  28   6.952  14.634  11.244
    2    HA   GLU  28           HA       GLU  28   4.720  14.720   9.313
    3    HB2  GLU  28           2HB      GLU  28   7.528  15.888   9.099
    4    HB3  GLU  28           3HB      GLU  28   6.504  15.546   7.709
    5    HG2  GLU  28           2HG      GLU  28   6.219  17.818   8.088
    6    HG3  GLU  28           3HG      GLU  28   4.738  17.063   8.653
    7    H    LEU  29           H        LEU  29   5.061  13.517   7.388
    8    HA   LEU  29           HA       LEU  29   7.037  11.355   7.278
    9    HG   LEU  29           HG       LEU  29   4.867   8.531   8.416
   10    HB2  LEU  29           2HB      LEU  29   4.598  10.908   8.623
   11    HB3  LEU  29           3HB      LEU  29   4.230  10.391   7.020
   12   HD11  LEU  29          1HD1      LEU  29   5.704   8.282   6.081
   13   HD12  LEU  29          2HD1      LEU  29   7.274   8.954   6.590
   14   HD13  LEU  29          3HD1      LEU  29   6.658   7.424   7.256
   15   HD21  LEU  29          3HD2      LEU  29   7.550   9.854   8.862
   16   HD22  LEU  29          1HD2      LEU  29   6.215   9.776  10.039
   17   HD23  LEU  29          2HD2      LEU  29   6.999   8.283   9.487
   18    H    SER  30           H        SER  30   6.107   9.905   5.213
   19    HA   SER  30           HA       SER  30   6.249  11.413   2.861
   20    HG   SER  30           HG       SER  30   6.544   7.930   3.751
   21    HB2  SER  30           2HB      SER  30   4.751   8.797   3.220
   22    HB3  SER  30           3HB      SER  30   5.534   9.388   1.748
   23    H    ASN  31           H        ASN  31   3.411  10.858   4.835
   24    HA   ASN  31           HA       ASN  31   1.212  11.242   4.674
   25    HB2  ASN  31           2HB      ASN  31   1.727  13.360   2.640
   26    HB3  ASN  31           3HB      ASN  31   0.426  13.266   3.804
   27   HD21  ASN  31          2HD2      ASN  31   3.019  15.063   3.190
   28   HD22  ASN  31          1HD2      ASN  31   3.567  15.393   4.828
   29    H    THR  32           H        THR  32   2.580   9.509   2.334
   30    HA   THR  32           HA       THR  32   0.176   9.312   0.565
   31    HB   THR  32           HB       THR  32   1.691   9.540  -1.386
   32    HG1  THR  32           1HG      THR  32   3.563  10.727   0.310
   33   HG21  THR  32          1HG2      THR  32   1.808  12.021   0.324
   34   HG22  THR  32          2HG2      THR  32   1.951  11.888  -1.436
   35   HG23  THR  32          3HG2      THR  32   0.413  11.498  -0.643
   36    H    ARG  33           H        ARG  33   1.521   7.000   2.379
   37    HA   ARG  33           HA       ARG  33   2.125   5.231   0.049
   38    HE   ARG  33           HE       ARG  33   6.888   6.346  -1.239
   39    HB2  ARG  33           2HB      ARG  33   4.112   5.727   2.240
   40    HB3  ARG  33           3HB      ARG  33   4.109   4.289   1.227
   41    HG2  ARG  33           2HG      ARG  33   4.830   5.225  -0.570
   42    HG3  ARG  33           3HG      ARG  33   4.260   6.883  -0.126
   43    HD2  ARG  33           2HD      ARG  33   6.014   7.061   1.518
   44    HD3  ARG  33           3HD      ARG  33   6.572   5.412   1.182
   45   HH11  ARG  33          2HH1      ARG  33   7.692   8.313   1.603
   46   HH12  ARG  33          1HH1      ARG  33   8.812   9.252   0.658
   47   HH21  ARG  33          1HH2      ARG  33   8.146   7.602  -2.286
   48   HH22  ARG  33          2HH2      ARG  33   9.081   8.872  -1.507
   49    H    LEU  34           H        LEU  34   1.595   3.334   0.135
   50    HA   LEU  34           HA       LEU  34   0.436   2.315   2.645
   51    HG   LEU  34           HG       LEU  34  -2.355   2.837   0.157
   52    HB2  LEU  34           2HB      LEU  34  -0.242   1.375  -0.075
   53    HB3  LEU  34           3HB      LEU  34  -1.217   1.240   1.338
   54   HD11  LEU  34          1HD1      LEU  34  -2.384   4.884   1.195
   55   HD12  LEU  34          2HD1      LEU  34  -1.703   3.839   2.423
   56   HD13  LEU  34          3HD1      LEU  34  -0.663   4.934   1.497
   57   HD21  LEU  34          3HD2      LEU  34   0.214   3.462  -1.072
   58   HD22  LEU  34          1HD2      LEU  34  -1.386   3.457  -1.742
   59   HD23  LEU  34          2HD2      LEU  34  -0.783   4.875  -0.850
   60    H    PHE  35           H        PHE  35   1.548   0.952   3.657
   61    HA   PHE  35           HA       PHE  35   3.750  -0.623   2.468
   62    HD1  PHE  35           HD1      PHE  35   3.460  -2.358   5.845
   63    HD2  PHE  35           HD2      PHE  35   6.577   0.321   4.546
   64    HE1  PHE  35           HE1      PHE  35   5.145  -3.803   6.877
   65    HE2  PHE  35           HE2      PHE  35   8.255  -1.157   5.526
   66    HZ   PHE  35           HZ       PHE  35   7.566  -3.241   6.713
   67    HB2  PHE  35           2HB      PHE  35   4.334   0.941   4.147
   68    HB3  PHE  35           3HB      PHE  35   3.231   0.550   5.228
   69    H    VAL  36           H        VAL  36   2.892  -2.319   1.684
   70    HA   VAL  36           HA       VAL  36   0.689  -3.796   3.088
   71    HB   VAL  36           HB       VAL  36   1.056  -2.610   0.338
   72   HG11  VAL  36          1HG1      VAL  36   0.160  -4.333  -0.471
   73   HG12  VAL  36          2HG1      VAL  36  -0.820  -4.749   0.990
   74   HG13  VAL  36          3HG1      VAL  36  -1.279  -3.415  -0.111
   75   HG21  VAL  36          3HG2      VAL  36  -0.982  -1.377   0.878
   76   HG22  VAL  36          1HG2      VAL  36  -1.385  -2.524   2.203
   77   HG23  VAL  36          2HG2      VAL  36  -0.091  -1.326   2.377
   78    H    ARG  37           H        ARG  37   1.754  -5.459   3.763
   79    HA   ARG  37           HA       ARG  37   3.205  -7.228   1.825
   80    HE   ARG  37           HE       ARG  37   4.493  -6.427   7.645
   81    HB2  ARG  37           2HB      ARG  37   4.939  -7.613   3.472
   82    HB3  ARG  37           3HB      ARG  37   4.845  -5.904   3.068
   83    HG2  ARG  37           2HG      ARG  37   4.016  -5.326   5.181
   84    HG3  ARG  37           3HG      ARG  37   3.372  -6.945   5.505
   85    HD2  ARG  37           2HD      ARG  37   5.632  -7.868   5.703
   86    HD3  ARG  37           3HD      ARG  37   6.335  -6.293   5.313
   87   HH11  ARG  37          1HH1      ARG  37   7.898  -6.442   6.698
   88   HH12  ARG  37          2HH1      ARG  37   8.369  -5.850   8.286
   89   HH21  ARG  37          1HH2      ARG  37   5.311  -5.664   9.633
   90   HH22  ARG  37          2HH2      ARG  37   7.057  -5.426   9.754
   91    HA   PRO  38           HA       PRO  38   0.751  -9.922   4.917
   92    HB2  PRO  38           2HB      PRO  38  -1.779 -10.189   4.033
   93    HB3  PRO  38           3HB      PRO  38  -1.311  -8.743   4.986
   94    HG2  PRO  38           2HG      PRO  38  -1.362  -8.979   1.977
   95    HG3  PRO  38           3HG      PRO  38  -2.268  -7.835   2.983
   96    HD2  PRO  38           2HD      PRO  38   0.147  -7.129   1.977
   97    HD3  PRO  38           3HD      PRO  38  -0.216  -6.719   3.684
   98    H    PHE  39           H        PHE  39   1.187  -9.697   1.535
   99    HA   PHE  39           HA       PHE  39   0.181 -12.389   0.902
  100    HD1  PHE  39           HD1      PHE  39   1.728  -8.469  -0.378
  101    HD2  PHE  39           HD2      PHE  39  -2.274 -10.146  -0.548
  102    HE1  PHE  39           HE1      PHE  39   0.805  -6.271  -0.671
  103    HE2  PHE  39           HE2      PHE  39  -3.188  -7.856  -0.735
  104    HZ   PHE  39           HZ       PHE  39  -1.682  -5.925  -0.899
  105    HB2  PHE  39           2HB      PHE  39   1.247 -10.814  -1.294
  106    HB3  PHE  39           3HB      PHE  39  -0.327 -11.548  -1.103
  107    HA   PRO  40           HA       PRO  40   4.347 -13.718  -0.225
  108    HB2  PRO  40           2HB      PRO  40   3.830 -15.820  -1.934
  109    HB3  PRO  40           3HB      PRO  40   3.411 -15.898  -0.206
  110    HG2  PRO  40           2HG      PRO  40   1.606 -15.119  -2.530
  111    HG3  PRO  40           3HG      PRO  40   1.279 -16.328  -1.245
  112    HD2  PRO  40           2HD      PRO  40   0.374 -13.740  -1.142
  113    HD3  PRO  40           3HD      PRO  40   0.825 -14.652   0.323
  114    H    LEU  41           H        LEU  41   5.370 -14.485  -2.553
  115    HA   LEU  41           HA       LEU  41   5.926 -12.267  -4.127
  116    HG   LEU  41           HG       LEU  41   8.268 -15.252  -4.722
  117    HB2  LEU  41           2HB      LEU  41   5.812 -15.149  -5.114
  118    HB3  LEU  41           3HB      LEU  41   6.770 -13.844  -5.769
  119   HD11  LEU  41          1HD1      LEU  41   8.657 -12.869  -4.232
  120   HD12  LEU  41          2HD1      LEU  41   7.775 -13.061  -2.687
  121   HD13  LEU  41          3HD1      LEU  41   9.296 -13.934  -2.957
  122   HD21  LEU  41          3HD2      LEU  41   6.863 -15.207  -2.034
  123   HD22  LEU  41          1HD2      LEU  41   6.587 -16.476  -3.264
  124   HD23  LEU  41          2HD2      LEU  41   8.200 -16.210  -2.587
  125    H    ASP  42           H        ASP  42   3.184 -14.411  -4.408
  126    HA   ASP  42           HA       ASP  42   2.476 -13.952  -7.100
  127    HB2  ASP  42           2HB      ASP  42   0.724 -14.860  -4.783
  128    HB3  ASP  42           3HB      ASP  42   0.407 -15.131  -6.492
  129    H    VAL  43           H        VAL  43   1.921 -11.745  -4.442
  130    HA   VAL  43           HA       VAL  43  -0.405 -10.441  -5.684
  131    HB   VAL  43           HB       VAL  43   0.197 -10.084  -3.292
  132   HG11  VAL  43          1HG1      VAL  43   1.895  -8.413  -2.689
  133   HG12  VAL  43          2HG1      VAL  43   2.653  -9.780  -3.502
  134   HG13  VAL  43          3HG1      VAL  43   2.388  -8.247  -4.365
  135   HG21  VAL  43          3HG2      VAL  43  -0.045  -7.561  -4.995
  136   HG22  VAL  43          1HG2      VAL  43  -1.371  -8.609  -4.463
  137   HG23  VAL  43          2HG2      VAL  43  -0.424  -7.708  -3.284
  138    H    GLN  44           H        GLN  44  -0.338  -8.522  -6.995
  139    HA   GLN  44           HA       GLN  44   2.179  -7.710  -8.235
  140    HB2  GLN  44           2HB      GLN  44   0.004  -9.083  -9.881
  141    HB3  GLN  44           3HB      GLN  44   1.398  -8.270 -10.557
  142    HG2  GLN  44           2HG      GLN  44   1.589 -10.787  -8.854
  143    HG3  GLN  44           3HG      GLN  44   1.441 -10.774 -10.590
  144   HE21  GLN  44          1HE2      GLN  44   3.694 -10.387  -7.953
  145   HE22  GLN  44          2HE2      GLN  44   5.105 -10.269  -9.004
  146    H    GLU  45           H        GLU  45   1.673  -6.057 -10.020
  147    HA   GLU  45           HA       GLU  45   0.177  -3.970  -8.888
  148    HB2  GLU  45           2HB      GLU  45   1.959  -3.992 -10.864
  149    HB3  GLU  45           3HB      GLU  45   0.518  -4.113 -11.877
  150    HG2  GLU  45           2HG      GLU  45  -0.261  -2.072 -10.245
  151    HG3  GLU  45           3HG      GLU  45   1.474  -1.880 -10.101
  152    H    SER  46           H        SER  46  -1.028  -6.557 -11.050
  153    HA   SER  46           HA       SER  46  -3.572  -5.428 -11.650
  154    HG   SER  46           HG       SER  46  -2.327  -8.893 -10.759
  155    HB2  SER  46           2HB      SER  46  -4.153  -8.017 -11.754
  156    HB3  SER  46           3HB      SER  46  -3.111  -7.244 -12.945
  157    H    GLU  47           H        GLU  47  -2.463  -7.048  -8.643
  158    HA   GLU  47           HA       GLU  47  -5.175  -7.598  -7.635
  159    HB2  GLU  47           2HB      GLU  47  -2.255  -8.075  -6.896
  160    HB3  GLU  47           3HB      GLU  47  -3.438  -8.082  -5.633
  161    HG2  GLU  47           2HG      GLU  47  -3.003 -10.339  -6.510
  162    HG3  GLU  47           3HG      GLU  47  -4.686  -9.850  -6.741
  163    H    LEU  48           H        LEU  48  -2.332  -5.540  -7.142
  164    HA   LEU  48           HA       LEU  48  -3.468  -3.856  -5.107
  165    HG   LEU  48           HG       LEU  48  -1.229  -5.355  -5.066
  166    HB2  LEU  48           2HB      LEU  48  -1.218  -3.444  -7.104
  167    HB3  LEU  48           3HB      LEU  48  -1.538  -2.447  -5.789
  168   HD11  LEU  48          1HD1      LEU  48   1.321  -3.843  -5.499
  169   HD12  LEU  48          2HD1      LEU  48   1.060  -5.565  -5.273
  170   HD13  LEU  48          3HD1      LEU  48   0.641  -4.804  -6.814
  171   HD21  LEU  48          3HD2      LEU  48  -1.441  -3.655  -3.382
  172   HD22  LEU  48          1HD2      LEU  48   0.158  -4.412  -3.336
  173   HD23  LEU  48          2HD2      LEU  48  -0.034  -2.764  -4.061
  174    H    ASN  49           H        ASN  49  -3.562  -3.799  -8.693
  175    HA   ASN  49           HA       ASN  49  -5.018  -1.305  -8.881
  176    HB2  ASN  49           2HB      ASN  49  -4.548  -3.586 -10.772
  177    HB3  ASN  49           3HB      ASN  49  -5.960  -2.599 -11.068
  178   HD21  ASN  49          2HD2      ASN  49  -2.461  -2.345 -10.574
  179   HD22  ASN  49          1HD2      ASN  49  -2.236  -1.018 -11.704
  180    H    GLU  50           H        GLU  50  -6.238  -4.683  -8.551
  181    HA   GLU  50           HA       GLU  50  -9.016  -3.996  -8.525
  182    HB2  GLU  50           2HB      GLU  50  -7.366  -6.234  -7.394
  183    HB3  GLU  50           3HB      GLU  50  -9.054  -6.109  -6.931
  184    HG2  GLU  50           2HG      GLU  50  -8.029  -6.222  -9.813
  185    HG3  GLU  50           3HG      GLU  50  -8.560  -7.625  -8.897
  186    H    ILE  51           H        ILE  51  -6.652  -3.984  -5.858
  187    HA   ILE  51           HA       ILE  51  -8.695  -3.401  -3.838
  188    HB   ILE  51           HB       ILE  51  -5.705  -3.594  -3.882
  189   HG12  ILE  51          2HG1      ILE  51  -7.657  -5.481  -2.520
  190   HG13  ILE  51          3HG1      ILE  51  -7.116  -5.701  -4.174
  191   HG21  ILE  51          1HG2      ILE  51  -6.272  -2.046  -2.022
  192   HG22  ILE  51          2HG2      ILE  51  -7.497  -3.196  -1.447
  193   HG23  ILE  51          3HG2      ILE  51  -5.766  -3.594  -1.357
  194   HD11  ILE  51          3HD1      ILE  51  -5.393  -5.818  -1.678
  195   HD12  ILE  51          1HD1      ILE  51  -5.700  -7.077  -2.887
  196   HD13  ILE  51          2HD1      ILE  51  -4.710  -5.682  -3.318
  197    H    PHE  52           H        PHE  52  -6.193  -1.477  -5.511
  198    HA   PHE  52           HA       PHE  52  -6.740   0.887  -3.835
  199    HD1  PHE  52           HD2      PHE  52  -4.519  -1.915  -4.110
  200    HD2  PHE  52           HD1      PHE  52  -3.658   2.073  -2.768
  201    HE1  PHE  52           HE2      PHE  52  -3.094  -2.856  -2.364
  202    HE2  PHE  52           HE1      PHE  52  -2.086   1.117  -1.126
  203    HZ   PHE  52           HZ       PHE  52  -1.654  -1.329  -1.067
  204    HB2  PHE  52           2HB      PHE  52  -4.523   0.237  -5.697
  205    HB3  PHE  52           3HB      PHE  52  -4.684   1.768  -4.869
  206    H    GLY  53           H        GLY  53  -7.241  -0.214  -7.118
  207    HA2  GLY  53           2HA      GLY  53  -7.576   2.149  -8.577
  208    HA3  GLY  53           3HA      GLY  53  -8.502   0.662  -8.796
  209    HA   PRO  54           HA       PRO  54 -12.081   2.547  -6.668
  210    HB2  PRO  54           2HB      PRO  54 -11.417   1.761  -3.838
  211    HB3  PRO  54           3HB      PRO  54 -12.950   1.554  -4.738
  212    HG2  PRO  54           2HG      PRO  54 -11.318  -0.565  -4.330
  213    HG3  PRO  54           3HG      PRO  54 -12.054  -0.321  -5.954
  214    HD2  PRO  54           2HD      PRO  54  -9.339   0.586  -4.973
  215    HD3  PRO  54           3HD      PRO  54  -9.664  -0.431  -6.397
  216    H    PHE  55           H        PHE  55  -8.981   3.210  -5.028
  217    HA   PHE  55           HA       PHE  55  -9.918   5.644  -3.707
  218    HD1  PHE  55           HD1      PHE  55  -9.959   3.686  -2.336
  219    HD2  PHE  55           HD2      PHE  55  -5.719   3.468  -2.972
  220    HE1  PHE  55           HE1      PHE  55  -9.903   1.508  -1.149
  221    HE2  PHE  55           HE2      PHE  55  -5.626   1.453  -1.425
  222    HZ   PHE  55           HZ       PHE  55  -7.741   0.434  -0.648
  223    HB2  PHE  55           2HB      PHE  55  -7.018   4.913  -4.182
  224    HB3  PHE  55           3HB      PHE  55  -7.700   5.876  -2.928
  225    H    GLY  56           H        GLY  56  -7.757   4.804  -6.382
  226    HA2  GLY  56           2HA      GLY  56  -8.342   5.882  -8.470
  227    HA3  GLY  56           3HA      GLY  56  -8.333   7.435  -7.635
  228    HA   PRO  57           HA       PRO  57  -4.299   8.027  -9.024
  229    HB2  PRO  57           2HB      PRO  57  -3.287   9.949  -7.437
  230    HB3  PRO  57           3HB      PRO  57  -4.886  10.145  -8.214
  231    HG2  PRO  57           2HG      PRO  57  -4.284   9.155  -5.426
  232    HG3  PRO  57           3HG      PRO  57  -5.401  10.484  -5.887
  233    HD2  PRO  57           2HD      PRO  57  -6.238   7.875  -5.472
  234    HD3  PRO  57           3HD      PRO  57  -7.049   8.976  -6.598
  235    H    MET  58           H        MET  58  -4.103   5.544  -7.910
  236    HA   MET  58           HA       MET  58  -1.707   4.988  -6.299
  237    HB2  MET  58           2HB      MET  58  -1.831   2.824  -7.288
  238    HB3  MET  58           3HB      MET  58  -3.257   3.298  -6.341
  239    HG2  MET  58           2HG      MET  58  -4.480   3.810  -8.405
  240    HG3  MET  58           3HG      MET  58  -3.089   3.297  -9.370
  241    HE1  MET  58           3HE      MET  58  -2.753   0.818  -6.733
  242    HE2  MET  58           1HE      MET  58  -3.133  -0.550  -7.800
  243    HE3  MET  58           2HE      MET  58  -2.010   0.704  -8.357
  244    H    LYS  59           H        LYS  59  -0.702   6.769  -7.269
  245    HA   LYS  59           HA       LYS  59   0.511   6.959  -9.750
  246    HB2  LYS  59           2HB      LYS  59   0.259   8.832  -8.467
  247    HB3  LYS  59           3HB      LYS  59   0.824   8.047  -7.019
  248    HG2  LYS  59           2HG      LYS  59   2.688   8.940  -9.211
  249    HG3  LYS  59           3HG      LYS  59   2.219   9.846  -7.776
  250    HD2  LYS  59           2HD      LYS  59   2.984   7.509  -6.572
  251    HD3  LYS  59           3HD      LYS  59   4.016   7.500  -7.994
  252    HE2  LYS  59           2HE      LYS  59   4.090  10.124  -7.044
  253    HE3  LYS  59           3HE      LYS  59   4.032   9.115  -5.580
  254    HZ1  LYS  59           3HZ      LYS  59   5.976   8.000  -7.308
  255    HZ2  LYS  59           1HZ      LYS  59   6.283   9.608  -7.191
  256    HZ3  LYS  59           2HZ      LYS  59   6.191   8.677  -5.848
  257    H    GLU  60           H        GLU  60   1.625   5.056  -6.972
  258    HA   GLU  60           HA       GLU  60   3.344   3.558  -8.761
  259    HB2  GLU  60           2HB      GLU  60   4.531   5.586  -6.998
  260    HB3  GLU  60           3HB      GLU  60   5.027   3.987  -6.481
  261    HG2  GLU  60           2HG      GLU  60   5.927   3.489  -8.686
  262    HG3  GLU  60           3HG      GLU  60   5.297   5.009  -9.333
  263    H    VAL  61           H        VAL  61   4.249   1.758  -7.896
  264    HA   VAL  61           HA       VAL  61   2.866   0.527  -5.613
  265    HB   VAL  61           HB       VAL  61   2.644  -0.850  -8.331
  266   HG11  VAL  61          1HG1      VAL  61   2.132  -1.845  -6.014
  267   HG12  VAL  61          2HG1      VAL  61   0.650  -0.856  -6.053
  268   HG13  VAL  61          3HG1      VAL  61   0.908  -2.053  -7.312
  269   HG21  VAL  61          3HG2      VAL  61   1.518   1.217  -8.916
  270   HG22  VAL  61          1HG2      VAL  61   0.347  -0.080  -8.694
  271   HG23  VAL  61          2HG2      VAL  61   0.539   1.144  -7.429
  272    H    LYS  62           H        LYS  62   5.065   0.782  -4.958
  273    HA   LYS  62           HA       LYS  62   7.270  -0.371  -6.472
  274    HB2  LYS  62           2HB      LYS  62   7.166   0.447  -3.550
  275    HB3  LYS  62           3HB      LYS  62   8.601   0.274  -4.554
  276    HG2  LYS  62           2HG      LYS  62   7.646   2.201  -5.985
  277    HG3  LYS  62           3HG      LYS  62   6.376   2.367  -4.770
  278    HD2  LYS  62           2HD      LYS  62   7.880   3.962  -4.034
  279    HD3  LYS  62           3HD      LYS  62   8.306   2.571  -3.043
  280    HE2  LYS  62           2HE      LYS  62  10.409   3.205  -3.774
  281    HE3  LYS  62           3HE      LYS  62   9.980   2.017  -5.020
  282    HZ1  LYS  62           3HZ      LYS  62   9.774   4.983  -5.226
  283    HZ2  LYS  62           1HZ      LYS  62  10.797   4.032  -6.065
  284    HZ3  LYS  62           2HZ      LYS  62   9.183   4.003  -6.379
  285    H    ILE  63           H        ILE  63   7.318  -2.533  -6.738
  286    HA   ILE  63           HA       ILE  63   6.232  -4.297  -4.604
  287    HB   ILE  63           HB       ILE  63   5.966  -4.476  -7.594
  288   HG12  ILE  63          2HG1      ILE  63   3.780  -4.737  -5.492
  289   HG13  ILE  63          3HG1      ILE  63   4.354  -3.150  -5.938
  290   HG21  ILE  63          1HG2      ILE  63   5.314  -6.638  -5.529
  291   HG22  ILE  63          2HG2      ILE  63   4.746  -6.647  -7.216
  292   HG23  ILE  63          3HG2      ILE  63   6.467  -6.770  -6.878
  293   HD11  ILE  63          3HD1      ILE  63   3.842  -3.686  -8.368
  294   HD12  ILE  63          1HD1      ILE  63   3.041  -5.175  -7.777
  295   HD13  ILE  63          2HD1      ILE  63   2.453  -3.589  -7.300
  296    H    LEU  64           H        LEU  64   7.343  -5.646  -3.722
  297    HA   LEU  64           HA       LEU  64   9.945  -6.677  -4.734
  298    HG   LEU  64           HG       LEU  64  11.261  -4.551  -3.918
  299    HB2  LEU  64           2HB      LEU  64   9.187  -5.647  -1.991
  300    HB3  LEU  64           3HB      LEU  64  10.694  -6.442  -2.393
  301   HD11  LEU  64          1HD1      LEU  64   8.705  -3.325  -2.950
  302   HD12  LEU  64          2HD1      LEU  64  10.130  -2.304  -3.290
  303   HD13  LEU  64          3HD1      LEU  64   9.473  -3.274  -4.564
  304   HD21  LEU  64          3HD2      LEU  64  10.746  -4.160  -1.011
  305   HD22  LEU  64          1HD2      LEU  64  12.218  -4.751  -1.804
  306   HD23  LEU  64          2HD2      LEU  64  11.754  -3.048  -1.999
  307    H    ASN  65           H        ASN  65  10.523  -8.412  -2.834
  308    HA   ASN  65           HA       ASN  65   9.232 -10.754  -3.525
  309    HB2  ASN  65           2HB      ASN  65  10.863 -10.282  -1.056
  310    HB3  ASN  65           3HB      ASN  65  10.756 -11.800  -1.937
  311   HD21  ASN  65          1HD2      ASN  65  12.744  -9.126  -1.495
  312   HD22  ASN  65          2HD2      ASN  65  13.665  -9.275  -2.983
  313    H    GLY  66           H        GLY  66   6.945  -9.740  -2.772
  314    HA2  GLY  66           2HA      GLY  66   5.159 -10.827  -1.547
  315    HA3  GLY  66           3HA      GLY  66   6.144 -10.902  -0.105
  316    H    PHE  67           H        PHE  67   6.817  -7.957  -1.641
  317    HA   PHE  67           HA       PHE  67   4.985  -6.557   0.284
  318    HD1  PHE  67           HD1      PHE  67   6.260  -8.009   1.891
  319    HD2  PHE  67           HD2      PHE  67   9.755  -5.911   0.512
  320    HE1  PHE  67           HE1      PHE  67   7.668  -9.439   3.322
  321    HE2  PHE  67           HE2      PHE  67  11.182  -7.384   1.902
  322    HZ   PHE  67           HZ       PHE  67  10.148  -9.152   3.320
  323    HB2  PHE  67           2HB      PHE  67   7.658  -5.455  -0.483
  324    HB3  PHE  67           3HB      PHE  67   6.683  -5.116   0.916
  325    H    ALA  68           H        ALA  68   4.082  -4.668  -0.286
  326    HA   ALA  68           HA       ALA  68   4.728  -3.328  -2.881
  327    HB1  ALA  68           1HB      ALA  68   1.974  -3.839  -1.748
  328    HB2  ALA  68           2HB      ALA  68   2.378  -2.886  -3.185
  329    HB3  ALA  68           3HB      ALA  68   2.669  -4.638  -3.176
  330    H    PHE  69           H        PHE  69   5.334  -1.360  -2.510
  331    HA   PHE  69           HA       PHE  69   4.132   0.099  -0.219
  332    HD1  PHE  69           HD2      PHE  69   6.220  -0.359   1.874
  333    HD2  PHE  69           HD1      PHE  69   8.214  -0.612  -1.936
  334    HE1  PHE  69           HE2      PHE  69   7.637  -2.263   2.716
  335    HE2  PHE  69           HE1      PHE  69   9.643  -2.386  -1.073
  336    HZ   PHE  69           HZ       PHE  69   9.348  -3.310   1.155
  337    HB2  PHE  69           2HB      PHE  69   6.643   1.095  -1.540
  338    HB3  PHE  69           3HB      PHE  69   6.020   1.459   0.056
  339    H    VAL  70           H        VAL  70   2.336   0.435  -1.341
  340    HA   VAL  70           HA       VAL  70   2.377   1.672  -4.005
  341    HB   VAL  70           HB       VAL  70  -0.032   1.562  -2.190
  342   HG11  VAL  70          1HG1      VAL  70  -1.243   1.257  -4.248
  343   HG12  VAL  70          2HG1      VAL  70  -0.234   2.719  -4.461
  344   HG13  VAL  70          3HG1      VAL  70   0.251   1.125  -5.172
  345   HG21  VAL  70          3HG2      VAL  70   0.733  -0.718  -2.266
  346   HG22  VAL  70          1HG2      VAL  70  -0.529  -0.556  -3.515
  347   HG23  VAL  70          2HG2      VAL  70   1.188  -0.492  -4.002
  348    H    GLU  71           H        GLU  71   1.815   3.845  -4.468
  349    HA   GLU  71           HA       GLU  71   2.478   5.756  -2.269
  350    HB2  GLU  71           2HB      GLU  71   4.582   4.822  -3.421
  351    HB3  GLU  71           3HB      GLU  71   4.009   5.579  -4.893
  352    HG2  GLU  71           2HG      GLU  71   4.086   7.775  -3.933
  353    HG3  GLU  71           3HG      GLU  71   4.370   7.134  -2.327
  354    H    PHE  72           H        PHE  72   1.680   7.733  -2.638
  355    HA   PHE  72           HA       PHE  72   0.189   8.227  -5.170
  356    HD1  PHE  72           HD2      PHE  72  -1.412   6.597  -4.989
  357    HD2  PHE  72           HD1      PHE  72  -1.878   7.966  -0.954
  358    HE1  PHE  72           HE2      PHE  72  -2.882   4.658  -4.507
  359    HE2  PHE  72           HE1      PHE  72  -3.349   6.007  -0.481
  360    HZ   PHE  72           HZ       PHE  72  -3.844   4.370  -2.237
  361    HB2  PHE  72           2HB      PHE  72  -0.470   9.167  -2.372
  362    HB3  PHE  72           3HB      PHE  72  -1.447   9.393  -3.805
  363    H    GLU  73           H        GLU  73  -0.252  10.482  -5.655
  364    HA   GLU  73           HA       GLU  73   1.957  12.350  -4.904
  365    HB2  GLU  73           2HB      GLU  73   1.424  13.579  -6.949
  366    HB3  GLU  73           3HB      GLU  73   1.967  11.939  -7.239
  367    HG2  GLU  73           2HG      GLU  73  -0.442  11.234  -7.550
  368    HG3  GLU  73           3HG      GLU  73  -0.922  12.915  -7.340
  369    H    GLU  74           H        GLU  74  -0.742  11.574  -3.589
  370    HA   GLU  74           HA       GLU  74  -1.767  14.259  -2.907
  371    HB2  GLU  74           2HB      GLU  74  -2.983  13.627  -4.933
  372    HB3  GLU  74           3HB      GLU  74  -3.318  12.022  -4.296
  373    HG2  GLU  74           2HG      GLU  74  -5.294  13.465  -4.223
  374    HG3  GLU  74           3HG      GLU  74  -4.805  12.904  -2.636
  375    H    ALA  75           H        ALA  75  -2.589  14.313  -0.820
  376    HA   ALA  75           HA       ALA  75  -2.102  11.928   0.845
  377    HB1  ALA  75           1HB      ALA  75  -2.694  14.814   1.595
  378    HB2  ALA  75           2HB      ALA  75  -2.274  13.500   2.717
  379    HB3  ALA  75           3HB      ALA  75  -1.083  14.050   1.530
  380    H    GLU  76           H        GLU  76  -4.769  13.595  -0.557
  381    HA   GLU  76           HA       GLU  76  -6.830  12.481   1.108
  382    HB2  GLU  76           2HB      GLU  76  -6.622  13.718  -1.617
  383    HB3  GLU  76           3HB      GLU  76  -8.024  12.705  -1.352
  384    HG2  GLU  76           2HG      GLU  76  -7.060  14.777   0.626
  385    HG3  GLU  76           3HG      GLU  76  -8.182  15.214  -0.685
  386    H    SER  77           H        SER  77  -5.095  11.074  -1.692
  387    HA   SER  77           HA       SER  77  -6.736   8.688  -1.747
  388    HG   SER  77           HG       SER  77  -4.365   6.867  -2.978
  389    HB2  SER  77           2HB      SER  77  -5.345   9.353  -3.574
  390    HB3  SER  77           3HB      SER  77  -3.875   8.952  -2.684
  391    H    ALA  78           H        ALA  78  -3.738   9.584   0.045
  392    HA   ALA  78           HA       ALA  78  -3.480   7.011   1.317
  393    HB1  ALA  78           1HB      ALA  78  -1.997   8.179   2.872
  394    HB2  ALA  78           2HB      ALA  78  -1.657   8.539   1.175
  395    HB3  ALA  78           3HB      ALA  78  -2.506   9.746   2.171
  396    H    ALA  79           H        ALA  79  -5.108  10.025   2.494
  397    HA   ALA  79           HA       ALA  79  -6.116   9.030   4.920
  398    HB1  ALA  79           1HB      ALA  79  -7.790  10.810   4.698
  399    HB2  ALA  79           2HB      ALA  79  -6.183  11.380   4.211
  400    HB3  ALA  79           3HB      ALA  79  -7.401  10.990   2.974
  401    H    LYS  80           H        LYS  80  -7.756   8.856   1.689
  402    HA   LYS  80           HA       LYS  80  -9.872   7.240   2.855
  403    HB2  LYS  80           2HB      LYS  80 -10.790   6.992   0.681
  404    HB3  LYS  80           3HB      LYS  80 -10.238   8.654   0.874
  405    HG2  LYS  80           2HG      LYS  80  -8.139   7.917  -0.414
  406    HG3  LYS  80           3HG      LYS  80  -8.944   6.386  -0.704
  407    HD2  LYS  80           2HD      LYS  80  -9.443   7.544  -2.648
  408    HD3  LYS  80           3HD      LYS  80 -10.886   7.868  -1.712
  409    HE2  LYS  80           2HE      LYS  80  -8.538   9.724  -2.326
  410    HE3  LYS  80           3HE      LYS  80 -10.173   9.835  -2.944
  411    HZ1  LYS  80           3HZ      LYS  80  -9.939  11.444  -1.166
  412    HZ2  LYS  80           1HZ      LYS  80 -10.900  10.271  -0.590
  413    HZ3  LYS  80           2HZ      LYS  80  -9.313  10.347  -0.149
  414    H    ALA  81           H        ALA  81  -6.913   6.383   1.077
  415    HA   ALA  81           HA       ALA  81  -7.456   3.647   0.749
  416    HB1  ALA  81           1HB      ALA  81  -4.769   4.933   1.314
  417    HB2  ALA  81           2HB      ALA  81  -5.033   3.287   0.694
  418    HB3  ALA  81           3HB      ALA  81  -5.529   4.669  -0.271
  419    H    ILE  82           H        ILE  82  -5.977   5.413   3.542
  420    HA   ILE  82           HA       ILE  82  -5.709   3.322   5.360
  421    HB   ILE  82           HB       ILE  82  -6.440   6.207   5.887
  422   HG12  ILE  82          2HG1      ILE  82  -3.748   5.101   6.595
  423   HG13  ILE  82          3HG1      ILE  82  -4.050   5.398   4.889
  424   HG21  ILE  82          1HG2      ILE  82  -7.100   4.924   7.873
  425   HG22  ILE  82          2HG2      ILE  82  -5.493   4.164   7.929
  426   HG23  ILE  82          3HG2      ILE  82  -5.681   5.898   8.218
  427   HD11  ILE  82          3HD1      ILE  82  -4.735   7.710   5.468
  428   HD12  ILE  82          1HD1      ILE  82  -4.323   7.425   7.153
  429   HD13  ILE  82          2HD1      ILE  82  -3.051   7.374   5.908
  430    H    GLU  83           H        GLU  83  -8.529   5.548   5.110
  431    HA   GLU  83           HA       GLU  83 -10.133   4.039   6.921
  432    HB2  GLU  83           2HB      GLU  83 -10.895   6.018   4.771
  433    HB3  GLU  83           3HB      GLU  83 -12.021   5.378   5.975
  434    HG2  GLU  83           2HG      GLU  83  -9.470   6.940   6.626
  435    HG3  GLU  83           3HG      GLU  83 -11.095   7.602   6.574
  436    H    GLU  84           H        GLU  84  -9.463   3.353   3.591
  437    HA   GLU  84           HA       GLU  84 -11.799   1.613   3.125
  438    HB2  GLU  84           2HB      GLU  84  -9.303   2.293   1.535
  439    HB3  GLU  84           3HB      GLU  84 -10.459   1.094   0.999
  440    HG2  GLU  84           2HG      GLU  84 -11.409   3.891   1.600
  441    HG3  GLU  84           3HG      GLU  84 -10.562   3.560   0.092
  442    H    VAL  85           H        VAL  85  -8.294   1.178   3.784
  443    HA   VAL  85           HA       VAL  85  -8.725  -1.734   4.219
  444    HB   VAL  85           HB       VAL  85  -8.542  -1.410   1.863
  445   HG11  VAL  85          1HG1      VAL  85  -5.850  -0.171   2.361
  446   HG12  VAL  85          2HG1      VAL  85  -6.376  -0.782   0.785
  447   HG13  VAL  85          3HG1      VAL  85  -7.256   0.543   1.566
  448   HG21  VAL  85          3HG2      VAL  85  -6.016  -2.799   2.731
  449   HG22  VAL  85          1HG2      VAL  85  -7.644  -3.504   2.884
  450   HG23  VAL  85          2HG2      VAL  85  -6.993  -3.091   1.288
  451    H    HIS  86           H        HIS  86  -7.031   0.959   5.427
  452    HA   HIS  86           HA       HIS  86  -4.689  -0.443   6.409
  453    HD1  HIS  86           HD1      HIS  86  -2.539   2.251   7.366
  454    HD2  HIS  86           HD2      HIS  86  -5.219   0.665  10.177
  455    HE1  HIS  86           HE1      HIS  86  -1.205   1.948   9.539
  456    HB2  HIS  86           2HB      HIS  86  -4.903   1.993   6.498
  457    HB3  HIS  86           3HB      HIS  86  -6.161   1.866   7.725
  458    H    GLY  87           H        GLY  87  -4.727  -2.249   7.627
  459    HA2  GLY  87           2HA      GLY  87  -4.734  -3.210   9.771
  460    HA3  GLY  87           3HA      GLY  87  -5.902  -2.015  10.324
  461    H    LYS  88           H        LYS  88  -6.781  -3.407   7.387
  462    HA   LYS  88           HA       LYS  88  -9.270  -4.396   8.453
  463    HB2  LYS  88           2HB      LYS  88  -7.964  -3.758   5.851
  464    HB3  LYS  88           3HB      LYS  88  -9.040  -5.073   5.713
  465    HG2  LYS  88           2HG      LYS  88 -10.223  -3.000   5.283
  466    HG3  LYS  88           3HG      LYS  88 -10.848  -3.698   6.781
  467    HD2  LYS  88           2HD      LYS  88  -9.655  -2.083   8.138
  468    HD3  LYS  88           3HD      LYS  88  -8.642  -1.616   6.769
  469    HE2  LYS  88           2HE      LYS  88 -10.707  -0.760   5.619
  470    HE3  LYS  88           3HE      LYS  88 -11.590  -1.022   7.121
  471    HZ1  LYS  88           3HZ      LYS  88 -10.028   0.528   8.210
  472    HZ2  LYS  88           1HZ      LYS  88  -9.239   0.794   6.806
  473    HZ3  LYS  88           2HZ      LYS  88 -10.798   1.258   6.954
  474    H    SER  89           H        SER  89  -6.993  -5.998   6.427
  475    HA   SER  89           HA       SER  89  -5.878  -8.110   6.991
  476    HG   SER  89           HG       SER  89  -7.341 -11.053   8.103
  477    HB2  SER  89           2HB      SER  89  -7.154  -8.860   8.784
  478    HB3  SER  89           3HB      SER  89  -8.591  -9.155   7.742
  479    H    PHE  90           H        PHE  90  -5.184  -8.501   5.148
  480    HA   PHE  90           HA       PHE  90  -7.029  -9.547   3.016
  481    HD1  PHE  90           HD2      PHE  90  -4.111  -9.795   0.734
  482    HD2  PHE  90           HD1      PHE  90  -7.604  -7.280   0.947
  483    HE1  PHE  90           HE2      PHE  90  -4.776 -10.533  -1.541
  484    HE2  PHE  90           HE1      PHE  90  -8.258  -8.001  -1.337
  485    HZ   PHE  90           HZ       PHE  90  -6.875  -9.667  -2.554
  486    HB2  PHE  90           2HB      PHE  90  -6.099  -7.280   2.637
  487    HB3  PHE  90           3HB      PHE  90  -4.491  -7.893   2.680
  488    H    ALA  91           H        ALA  91  -6.276 -11.293   1.824
  489    HA   ALA  91           HA       ALA  91  -5.565 -13.391   1.583
  490    HB1  ALA  91           1HB      ALA  91  -3.162 -13.841   1.635
  491    HB2  ALA  91           2HB      ALA  91  -3.518 -12.300   0.833
  492    HB3  ALA  91           3HB      ALA  91  -2.868 -12.313   2.485
  493    H    ASN  92           H        ASN  92  -3.997 -12.417   4.640
  494    HA   ASN  92           HA       ASN  92  -5.728 -14.120   6.215
  495    HB2  ASN  92           2HB      ASN  92  -4.188 -15.677   7.069
  496    HB3  ASN  92           3HB      ASN  92  -3.843 -15.694   5.350
  497   HD21  ASN  92          2HD2      ASN  92  -1.901 -14.164   4.679
  498   HD22  ASN  92          1HD2      ASN  92  -0.623 -14.028   5.865
  499    H    GLN  93           H        GLN  93  -3.963 -11.256   5.982
  500    HA   GLN  93           HA       GLN  93  -3.914 -10.738   8.856
  501    HB2  GLN  93           2HB      GLN  93  -1.484 -10.488   9.033
  502    HB3  GLN  93           3HB      GLN  93  -1.913 -12.124   8.580
  503    HG2  GLN  93           2HG      GLN  93  -1.449 -11.334   6.126
  504    HG3  GLN  93           3HG      GLN  93  -0.636  -9.960   6.887
  505   HE21  GLN  93          2HE2      GLN  93   0.413 -12.313   5.210
  506   HE22  GLN  93          1HE2      GLN  93   1.613 -13.063   6.251
  507    HA   PRO  94           HA       PRO  94  -4.514  -6.752   7.361
  508    HB2  PRO  94           2HB      PRO  94  -3.784  -5.120   9.474
  509    HB3  PRO  94           3HB      PRO  94  -5.155  -6.273   9.567
  510    HG2  PRO  94           2HG      PRO  94  -2.286  -6.700  10.478
  511    HG3  PRO  94           3HG      PRO  94  -3.791  -6.953  11.426
  512    HD2  PRO  94           2HD      PRO  94  -2.554  -8.988  10.175
  513    HD3  PRO  94           3HD      PRO  94  -4.341  -8.875  10.154
  514    H    LEU  95           H        LEU  95  -3.931  -4.664   6.982
  515    HA   LEU  95           HA       LEU  95  -1.337  -4.438   5.611
  516    HG   LEU  95           HG       LEU  95  -4.029  -3.783   3.077
  517    HB2  LEU  95           2HB      LEU  95  -4.041  -3.009   5.495
  518    HB3  LEU  95           3HB      LEU  95  -2.683  -2.596   4.513
  519   HD11  LEU  95          1HD1      LEU  95  -1.702  -4.675   3.127
  520   HD12  LEU  95          2HD1      LEU  95  -2.311  -5.990   4.155
  521   HD13  LEU  95          3HD1      LEU  95  -2.937  -5.778   2.492
  522   HD21  LEU  95          3HD2      LEU  95  -5.363  -5.509   3.460
  523   HD22  LEU  95          1HD2      LEU  95  -4.547  -6.036   4.953
  524   HD23  LEU  95          2HD2      LEU  95  -5.563  -4.552   4.905
  525    H    GLU  96           H        GLU  96  -0.139  -2.492   5.623
  526    HA   GLU  96           HA       GLU  96  -0.751  -0.525   7.800
  527    HB2  GLU  96           2HB      GLU  96   1.284  -2.074   8.055
  528    HB3  GLU  96           3HB      GLU  96   2.011  -1.120   6.759
  529    HG2  GLU  96           2HG      GLU  96   1.498   0.941   8.183
  530    HG3  GLU  96           3HG      GLU  96   1.162  -0.177   9.501
  531    H    VAL  97           H        VAL  97  -2.062  -0.199   5.700
  532    HA   VAL  97           HA       VAL  97  -1.042   1.265   3.441
  533    HB   VAL  97           HB       VAL  97  -3.728   1.062   4.821
  534   HG11  VAL  97          1HG1      VAL  97  -4.839   1.812   2.796
  535   HG12  VAL  97          2HG1      VAL  97  -3.850   3.109   3.476
  536   HG13  VAL  97          3HG1      VAL  97  -3.305   2.193   2.048
  537   HG21  VAL  97          3HG2      VAL  97  -2.374  -0.847   3.346
  538   HG22  VAL  97          1HG2      VAL  97  -4.127  -0.805   3.537
  539   HG23  VAL  97          2HG2      VAL  97  -3.347  -0.124   2.092
  540    H    VAL  98           H        VAL  98   0.189   3.288   4.132
  541    HA   VAL  98           HA       VAL  98  -1.312   5.172   5.797
  542    HB   VAL  98           HB       VAL  98  -0.235   3.065   7.052
  543   HG11  VAL  98          1HG1      VAL  98   2.132   3.387   6.533
  544   HG12  VAL  98          2HG1      VAL  98   2.098   4.778   7.697
  545   HG13  VAL  98          3HG1      VAL  98   1.659   3.180   8.220
  546   HG21  VAL  98          3HG2      VAL  98  -0.566   5.798   8.152
  547   HG22  VAL  98          1HG2      VAL  98  -1.759   4.471   7.913
  548   HG23  VAL  98          2HG2      VAL  98  -0.438   4.278   9.088
  549    H    TYR  99           H        TYR  99   1.832   5.669   6.435
  550    HA   TYR  99           HA       TYR  99   2.419   7.344   4.033
  551    HD1  TYR  99           HD2      TYR  99   0.665   8.684   4.496
  552    HD2  TYR  99           HD1      TYR  99   2.359   9.155   8.433
  553    HE1  TYR  99           HE2      TYR  99  -1.302   9.991   5.164
  554    HE2  TYR  99           HE1      TYR  99   0.342  10.438   9.126
  555    HH   TYR  99           HH       TYR  99  -2.365  11.114   6.879
  556    HB2  TYR  99           2HB      TYR  99   3.389   7.660   6.884
  557    HB3  TYR  99           3HB      TYR  99   3.622   8.790   5.556
  558    H    SER 100           H        SER 100   2.985   4.427   4.889
  559    HA   SER 100           HA       SER 100   4.544   2.977   5.337
  560    HG   SER 100           HG       SER 100   6.353   2.152   2.266
  561    HB2  SER 100           2HB      SER 100   4.209   2.780   3.062
  562    HB3  SER 100           3HB      SER 100   5.374   4.006   2.774
  563    H    LYS 101           H        LYS 101   7.187   2.488   4.896
  564    HA   LYS 101           HA       LYS 101   9.006   4.252   6.245
  565    HB2  LYS 101           2HB      LYS 101   9.247   2.938   8.376
  566    HB3  LYS 101           3HB      LYS 101   7.745   3.818   8.275
  567    HG2  LYS 101           2HG      LYS 101   6.440   1.921   8.006
  568    HG3  LYS 101           3HG      LYS 101   7.761   0.929   7.378
  569    HD2  LYS 101           2HD      LYS 101   8.744   0.631   9.527
  570    HD3  LYS 101           3HD      LYS 101   7.815   1.964  10.225
  571    HE2  LYS 101           2HE      LYS 101   6.925  -0.191  10.991
  572    HE3  LYS 101           3HE      LYS 101   5.750   0.739  10.058
  573    HZ1  LYS 101           3HZ      LYS 101   7.180  -1.700   9.198
  574    HZ2  LYS 101           1HZ      LYS 101   5.552  -1.368   9.258
  575    HZ3  LYS 101           2HZ      LYS 101   6.459  -0.676   8.109
  576    H    LEU 102           H        LEU 102  10.866   2.677   7.243
  577    HA   LEU 102           HA       LEU 102  12.052   1.136   5.153
  578    HG   LEU 102           HG       LEU 102  12.968   3.277   7.382
  579    HB2  LEU 102           2HB      LEU 102  12.468   0.978   8.169
  580    HB3  LEU 102           3HB      LEU 102  13.554   0.312   6.957
  581   HD11  LEU 102          1HD1      LEU 102  14.317   2.249   9.175
  582   HD12  LEU 102          2HD1      LEU 102  15.456   1.619   7.963
  583   HD13  LEU 102          3HD1      LEU 102  15.277   3.373   8.198
  584   HD21  LEU 102          3HD2      LEU 102  14.872   3.645   5.826
  585   HD22  LEU 102          1HD2      LEU 102  14.920   1.900   5.481
  586   HD23  LEU 102          2HD2      LEU 102  13.503   2.875   5.024
  587    HA   PRO 103           HA       PRO 103   9.837  -2.688   5.106
  588    HB2  PRO 103           2HB      PRO 103  12.518  -4.067   5.206
  589    HB3  PRO 103           3HB      PRO 103  11.126  -4.383   4.122
  590    HG2  PRO 103           2HG      PRO 103  13.207  -2.917   3.233
  591    HG3  PRO 103           3HG      PRO 103  11.531  -2.374   2.893
  592    HD2  PRO 103           2HD      PRO 103  13.436  -1.383   5.028
  593    HD3  PRO 103           3HD      PRO 103  12.349  -0.469   3.939
  594    H    ALA 104           H        ALA 104  11.069  -1.960   8.033
  595    HA   ALA 104           HA       ALA 104  11.223  -4.386   9.541
  596    HB1  ALA 104           1HB      ALA 104  12.111  -2.225  10.318
  597    HB2  ALA 104           2HB      ALA 104  10.467  -1.541  10.347
  598    HB3  ALA 104           3HB      ALA 104  10.906  -2.850  11.462
  Start of MODEL   18
    1    H    GLU  28           H        GLU  28   3.890  15.847   6.860
    2    HA   GLU  28           HA       GLU  28   5.764  14.675   8.282
    3    HB2  GLU  28           2HB      GLU  28   4.085  14.088   9.971
    4    HB3  GLU  28           3HB      GLU  28   3.960  15.728   9.387
    5    HG2  GLU  28           2HG      GLU  28   2.153  13.627   8.158
    6    HG3  GLU  28           3HG      GLU  28   1.841  14.186   9.800
    7    H    LEU  29           H        LEU  29   6.338  12.699   9.145
    8    HA   LEU  29           HA       LEU  29   6.927  10.539   9.166
    9    HG   LEU  29           HG       LEU  29   4.096   8.016   9.499
   10    HB2  LEU  29           2HB      LEU  29   4.424  10.480   9.785
   11    HB3  LEU  29           3HB      LEU  29   4.124   9.889   8.188
   12   HD11  LEU  29          1HD1      LEU  29   5.665   7.611   7.566
   13   HD12  LEU  29          2HD1      LEU  29   7.022   7.894   8.683
   14   HD13  LEU  29          3HD1      LEU  29   5.890   6.559   8.958
   15   HD21  LEU  29          3HD2      LEU  29   4.995   9.009  11.543
   16   HD22  LEU  29          1HD2      LEU  29   5.702   7.418  11.222
   17   HD23  LEU  29          2HD2      LEU  29   6.647   8.889  10.886
   18    H    SER  30           H        SER  30   4.819  10.485   6.408
   19    HA   SER  30           HA       SER  30   6.707  10.366   4.293
   20    HG   SER  30           HG       SER  30   7.699   8.570   5.771
   21    HB2  SER  30           2HB      SER  30   5.476   7.668   5.032
   22    HB3  SER  30           3HB      SER  30   6.197   8.037   3.463
   23    H    ASN  31           H        ASN  31   3.593  10.460   5.533
   24    HA   ASN  31           HA       ASN  31   1.534  10.674   4.895
   25    HB2  ASN  31           2HB      ASN  31   1.279  12.616   3.146
   26    HB3  ASN  31           3HB      ASN  31   1.758  12.821   4.801
   27   HD21  ASN  31          1HD2      ASN  31   3.507  12.045   1.708
   28   HD22  ASN  31          2HD2      ASN  31   4.671  13.322   1.968
   29    H    THR  32           H        THR  32   3.105   9.100   2.261
   30    HA   THR  32           HA       THR  32   0.443   8.693   0.992
   31    HB   THR  32           HB       THR  32   1.431   9.178  -1.179
   32    HG1  THR  32           1HG      THR  32   3.476   9.680  -1.413
   33   HG21  THR  32          1HG2      THR  32   2.205  11.492   0.594
   34   HG22  THR  32          2HG2      THR  32   1.666  11.516  -1.091
   35   HG23  THR  32          3HG2      THR  32   0.520  11.100   0.196
   36    H    ARG  33           H        ARG  33   1.845   6.534   2.481
   37    HA   ARG  33           HA       ARG  33   2.693   4.806   0.180
   38    HE   ARG  33           HE       ARG  33   7.548   6.225  -0.741
   39    HB2  ARG  33           2HB      ARG  33   4.345   5.626   2.552
   40    HB3  ARG  33           3HB      ARG  33   4.603   4.116   1.690
   41    HG2  ARG  33           2HG      ARG  33   5.323   4.920  -0.135
   42    HG3  ARG  33           3HG      ARG  33   4.428   6.467  -0.016
   43    HD2  ARG  33           2HD      ARG  33   6.199   7.567   0.750
   44    HD3  ARG  33           3HD      ARG  33   6.458   6.391   2.040
   45   HH11  ARG  33          2HH2      ARG  33   7.684   4.891   2.498
   46   HH12  ARG  33          1HH2      ARG  33   8.421   3.417   1.905
   47   HH21  ARG  33          2HH1      ARG  33   8.408   4.438  -1.366
   48   HH22  ARG  33          1HH1      ARG  33   8.977   3.218  -0.195
   49    H    LEU  34           H        LEU  34   1.931   2.961   0.114
   50    HA   LEU  34           HA       LEU  34   0.596   1.907   2.502
   51    HG   LEU  34           HG       LEU  34  -1.949   2.427  -0.196
   52    HB2  LEU  34           2HB      LEU  34   0.197   0.955  -0.261
   53    HB3  LEU  34           3HB      LEU  34  -0.903   0.814   1.061
   54   HD11  LEU  34          1HD1      LEU  34  -1.496   3.421   2.107
   55   HD12  LEU  34          2HD1      LEU  34  -0.308   4.462   1.311
   56   HD13  LEU  34          3HD1      LEU  34  -1.988   4.511   0.820
   57   HD21  LEU  34          3HD2      LEU  34   0.691   2.955  -1.245
   58   HD22  LEU  34          1HD2      LEU  34  -0.861   3.081  -2.012
   59   HD23  LEU  34          2HD2      LEU  34  -0.212   4.438  -1.052
   60    H    PHE  35           H        PHE  35   1.443   0.380   3.661
   61    HA   PHE  35           HA       PHE  35   3.695  -1.224   2.626
   62    HD1  PHE  35           HD2      PHE  35   4.738  -3.056   3.785
   63    HD2  PHE  35           HD1      PHE  35   5.176  -0.095   6.902
   64    HE1  PHE  35           HE2      PHE  35   6.537  -4.386   4.797
   65    HE2  PHE  35           HE1      PHE  35   6.995  -1.449   7.915
   66    HZ   PHE  35           HZ       PHE  35   7.683  -3.594   6.864
   67    HB2  PHE  35           2HB      PHE  35   4.402   0.182   4.137
   68    HB3  PHE  35           3HB      PHE  35   3.345   0.221   5.262
   69    H    VAL  36           H        VAL  36   2.939  -2.849   1.847
   70    HA   VAL  36           HA       VAL  36   0.539  -4.250   2.947
   71    HB   VAL  36           HB       VAL  36   1.483  -3.208   0.287
   72   HG11  VAL  36          1HG1      VAL  36  -0.504  -3.799  -0.789
   73   HG12  VAL  36          2HG1      VAL  36   0.523  -5.168  -0.439
   74   HG13  VAL  36          3HG1      VAL  36  -0.943  -4.853   0.571
   75   HG21  VAL  36          3HG2      VAL  36  -0.201  -1.608   0.561
   76   HG22  VAL  36          1HG2      VAL  36  -1.324  -2.770   1.357
   77   HG23  VAL  36          2HG2      VAL  36  -0.059  -1.986   2.269
   78    H    ARG  37           H        ARG  37   1.379  -5.882   3.883
   79    HA   ARG  37           HA       ARG  37   3.187  -7.791   2.455
   80    HE   ARG  37           HE       ARG  37   3.887  -6.715   8.733
   81    HB2  ARG  37           2HB      ARG  37   4.559  -7.906   4.476
   82    HB3  ARG  37           3HB      ARG  37   4.520  -6.288   3.791
   83    HG2  ARG  37           2HG      ARG  37   3.160  -5.416   5.507
   84    HG3  ARG  37           3HG      ARG  37   2.605  -7.006   6.027
   85    HD2  ARG  37           2HD      ARG  37   4.872  -7.550   6.847
   86    HD3  ARG  37           3HD      ARG  37   5.440  -5.948   6.397
   87   HH11  ARG  37          2HH2      ARG  37   4.493  -3.850   6.734
   88   HH12  ARG  37          1HH2      ARG  37   3.903  -2.820   8.032
   89   HH21  ARG  37          1HH1      ARG  37   3.205  -5.165  10.261
   90   HH22  ARG  37          2HH1      ARG  37   3.271  -3.468   9.777
   91    HA   PRO  38           HA       PRO  38   0.325 -10.279   5.649
   92    HB2  PRO  38           2HB      PRO  38  -1.846  -9.597   3.612
   93    HB3  PRO  38           3HB      PRO  38  -2.064 -10.288   5.236
   94    HG2  PRO  38           2HG      PRO  38  -2.320  -7.677   4.999
   95    HG3  PRO  38           3HG      PRO  38  -1.183  -8.253   6.249
   96    HD2  PRO  38           2HD      PRO  38  -0.504  -7.308   3.452
   97    HD3  PRO  38           3HD      PRO  38   0.253  -6.858   5.020
   98    H    PHE  39           H        PHE  39   0.030 -10.083   2.135
   99    HA   PHE  39           HA       PHE  39  -0.379 -12.791   1.532
  100    HD1  PHE  39           HD2      PHE  39   1.469  -9.025   0.593
  101    HD2  PHE  39           HD1      PHE  39  -2.282 -10.774  -0.703
  102    HE1  PHE  39           HE2      PHE  39   0.372  -6.877   0.759
  103    HE2  PHE  39           HE1      PHE  39  -3.277  -8.505  -0.820
  104    HZ   PHE  39           HZ       PHE  39  -2.000  -6.564  -0.060
  105    HB2  PHE  39           2HB      PHE  39   1.275 -11.365  -0.452
  106    HB3  PHE  39           3HB      PHE  39  -0.285 -12.134  -0.624
  107    HA   PRO  40           HA       PRO  40   3.892 -14.270   1.682
  108    HB2  PRO  40           2HB      PRO  40   3.248 -16.498  -0.163
  109    HB3  PRO  40           3HB      PRO  40   3.623 -16.574   1.572
  110    HG2  PRO  40           2HG      PRO  40   1.106 -17.073   0.471
  111    HG3  PRO  40           3HG      PRO  40   1.391 -16.519   2.152
  112    HD2  PRO  40           2HD      PRO  40   0.625 -14.870  -0.259
  113    HD3  PRO  40           3HD      PRO  40   0.013 -14.803   1.418
  114    H    LEU  41           H        LEU  41   4.946 -15.612  -0.802
  115    HA   LEU  41           HA       LEU  41   5.723 -13.349  -2.338
  116    HG   LEU  41           HG       LEU  41   7.971 -16.534  -2.722
  117    HB2  LEU  41           2HB      LEU  41   5.702 -16.122  -3.501
  118    HB3  LEU  41           3HB      LEU  41   6.817 -14.787  -3.764
  119   HD11  LEU  41          1HD1      LEU  41   7.486 -14.365  -0.649
  120   HD12  LEU  41          2HD1      LEU  41   8.832 -15.526  -0.643
  121   HD13  LEU  41          3HD1      LEU  41   8.685 -14.368  -1.972
  122   HD21  LEU  41          3HD2      LEU  41   5.945 -17.624  -1.606
  123   HD22  LEU  41          1HD2      LEU  41   7.504 -17.691  -0.774
  124   HD23  LEU  41          2HD2      LEU  41   6.285 -16.553  -0.220
  125    H    ASP  42           H        ASP  42   2.820 -15.114  -2.396
  126    HA   ASP  42           HA       ASP  42   1.973 -14.905  -5.089
  127    HB2  ASP  42           2HB      ASP  42   0.389 -15.364  -2.548
  128    HB3  ASP  42           3HB      ASP  42  -0.157 -15.705  -4.188
  129    H    VAL  43           H        VAL  43   2.684 -12.230  -4.273
  130    HA   VAL  43           HA       VAL  43   0.200 -10.888  -5.168
  131    HB   VAL  43           HB       VAL  43   0.423 -10.559  -2.732
  132   HG11  VAL  43          1HG1      VAL  43   2.873  -8.875  -3.372
  133   HG12  VAL  43          2HG1      VAL  43   2.084  -9.041  -1.795
  134   HG13  VAL  43          3HG1      VAL  43   2.874 -10.442  -2.521
  135   HG21  VAL  43          3HG2      VAL  43  -0.050  -8.152  -2.729
  136   HG22  VAL  43          1HG2      VAL  43   0.661  -7.965  -4.344
  137   HG23  VAL  43          2HG2      VAL  43  -0.815  -8.923  -4.124
  138    H    GLN  44           H        GLN  44   0.512  -9.137  -6.527
  139    HA   GLN  44           HA       GLN  44   3.088  -7.937  -6.952
  140    HB2  GLN  44           2HB      GLN  44   3.558  -8.560  -9.215
  141    HB3  GLN  44           3HB      GLN  44   3.455 -10.004  -8.248
  142    HG2  GLN  44           2HG      GLN  44   0.830  -9.675  -9.242
  143    HG3  GLN  44           3HG      GLN  44   1.871  -9.192 -10.580
  144   HE21  GLN  44          2HE2      GLN  44   0.791 -11.845  -8.564
  145   HE22  GLN  44          1HE2      GLN  44   1.652 -13.121  -9.447
  146    H    GLU  45           H        GLU  45   2.814  -6.563  -9.248
  147    HA   GLU  45           HA       GLU  45   0.996  -4.555  -8.511
  148    HB2  GLU  45           2HB      GLU  45   1.549  -3.429 -10.571
  149    HB3  GLU  45           3HB      GLU  45   2.989  -4.070  -9.779
  150    HG2  GLU  45           2HG      GLU  45   3.050  -5.957 -11.324
  151    HG3  GLU  45           3HG      GLU  45   1.565  -5.399 -12.107
  152    H    SER  46           H        SER  46   0.161  -7.368 -10.488
  153    HA   SER  46           HA       SER  46  -2.287  -6.195 -11.503
  154    HG   SER  46           HG       SER  46  -1.455  -9.795 -10.554
  155    HB2  SER  46           2HB      SER  46  -2.902  -8.690 -11.800
  156    HB3  SER  46           3HB      SER  46  -1.584  -7.995 -12.737
  157    H    GLU  47           H        GLU  47  -1.448  -7.705  -8.356
  158    HA   GLU  47           HA       GLU  47  -4.241  -8.280  -7.619
  159    HB2  GLU  47           2HB      GLU  47  -1.418  -8.640  -6.500
  160    HB3  GLU  47           3HB      GLU  47  -2.792  -8.730  -5.459
  161    HG2  GLU  47           2HG      GLU  47  -2.490 -10.901  -6.004
  162    HG3  GLU  47           3HG      GLU  47  -3.745 -10.488  -7.157
  163    H    LEU  48           H        LEU  48  -1.479  -6.131  -6.911
  164    HA   LEU  48           HA       LEU  48  -2.864  -4.349  -5.147
  165    HG   LEU  48           HG       LEU  48  -0.064  -5.717  -5.290
  166    HB2  LEU  48           2HB      LEU  48  -0.575  -3.843  -7.054
  167    HB3  LEU  48           3HB      LEU  48  -1.028  -2.862  -5.754
  168   HD11  LEU  48          1HD1      LEU  48   2.140  -4.825  -4.944
  169   HD12  LEU  48          2HD1      LEU  48   1.578  -4.340  -6.551
  170   HD13  LEU  48          3HD1      LEU  48   1.584  -3.170  -5.218
  171   HD21  LEU  48          3HD2      LEU  48  -0.976  -4.701  -3.270
  172   HD22  LEU  48          1HD2      LEU  48   0.801  -4.768  -3.203
  173   HD23  LEU  48          2HD2      LEU  48  -0.003  -3.215  -3.581
  174    H    ASN  49           H        ASN  49  -2.610  -4.569  -8.760
  175    HA   ASN  49           HA       ASN  49  -4.051  -2.113  -9.230
  176    HB2  ASN  49           2HB      ASN  49  -3.329  -4.440 -10.923
  177    HB3  ASN  49           3HB      ASN  49  -4.829  -3.679 -11.375
  178   HD21  ASN  49          2HD2      ASN  49  -1.382  -3.118 -10.992
  179   HD22  ASN  49          1HD2      ASN  49  -1.346  -1.708 -12.049
  180    H    GLU  50           H        GLU  50  -5.306  -5.454  -8.757
  181    HA   GLU  50           HA       GLU  50  -8.079  -4.735  -8.998
  182    HB2  GLU  50           2HB      GLU  50  -6.538  -6.983  -7.764
  183    HB3  GLU  50           3HB      GLU  50  -8.218  -6.760  -7.254
  184    HG2  GLU  50           2HG      GLU  50  -8.883  -6.748  -9.697
  185    HG3  GLU  50           3HG      GLU  50  -7.211  -7.125 -10.120
  186    H    ILE  51           H        ILE  51  -5.922  -4.584  -6.161
  187    HA   ILE  51           HA       ILE  51  -8.113  -3.866  -4.346
  188    HB   ILE  51           HB       ILE  51  -5.134  -4.122  -4.140
  189   HG12  ILE  51          2HG1      ILE  51  -7.254  -5.879  -2.846
  190   HG13  ILE  51          3HG1      ILE  51  -6.570  -6.205  -4.435
  191   HG21  ILE  51          1HG2      ILE  51  -5.381  -3.977  -1.634
  192   HG22  ILE  51          2HG2      ILE  51  -5.792  -2.459  -2.414
  193   HG23  ILE  51          3HG2      ILE  51  -7.089  -3.540  -1.866
  194   HD11  ILE  51          3HD1      ILE  51  -4.260  -6.232  -3.380
  195   HD12  ILE  51          1HD1      ILE  51  -5.074  -6.219  -1.796
  196   HD13  ILE  51          2HD1      ILE  51  -5.345  -7.552  -2.926
  197    H    PHE  52           H        PHE  52  -5.473  -2.071  -5.904
  198    HA   PHE  52           HA       PHE  52  -6.051   0.417  -4.419
  199    HD1  PHE  52           HD2      PHE  52  -3.879  -2.490  -4.427
  200    HD2  PHE  52           HD1      PHE  52  -2.998   1.525  -3.186
  201    HE1  PHE  52           HE2      PHE  52  -2.593  -3.397  -2.545
  202    HE2  PHE  52           HE1      PHE  52  -1.625   0.604  -1.358
  203    HZ   PHE  52           HZ       PHE  52  -1.312  -1.848  -1.144
  204    HB2  PHE  52           2HB      PHE  52  -3.731  -0.416  -6.070
  205    HB3  PHE  52           3HB      PHE  52  -3.895   1.155  -5.322
  206    H    GLY  53           H        GLY  53  -6.180  -0.904  -7.692
  207    HA2  GLY  53           2HA      GLY  53  -6.291   1.396  -9.293
  208    HA3  GLY  53           3HA      GLY  53  -7.175  -0.106  -9.580
  209    HA   PRO  54           HA       PRO  54 -11.007   1.855  -7.989
  210    HB2  PRO  54           2HB      PRO  54 -10.705   1.127  -5.092
  211    HB3  PRO  54           3HB      PRO  54 -12.119   0.916  -6.167
  212    HG2  PRO  54           2HG      PRO  54 -10.579  -1.213  -5.528
  213    HG3  PRO  54           3HG      PRO  54 -11.098  -0.988  -7.235
  214    HD2  PRO  54           2HD      PRO  54  -8.521  -0.092  -5.931
  215    HD3  PRO  54           3HD      PRO  54  -8.673  -1.129  -7.365
  216    H    PHE  55           H        PHE  55  -8.133   2.547  -5.973
  217    HA   PHE  55           HA       PHE  55  -9.200   5.029  -4.880
  218    HD1  PHE  55           HD1      PHE  55  -9.405   3.117  -3.459
  219    HD2  PHE  55           HD2      PHE  55  -5.122   3.046  -3.461
  220    HE1  PHE  55           HE1      PHE  55  -9.457   1.038  -2.097
  221    HE2  PHE  55           HE2      PHE  55  -5.164   1.067  -1.884
  222    HZ   PHE  55           HZ       PHE  55  -7.346   0.030  -1.307
  223    HB2  PHE  55           2HB      PHE  55  -6.275   4.278  -5.014
  224    HB3  PHE  55           3HB      PHE  55  -7.063   5.322  -3.885
  225    H    GLY  56           H        GLY  56  -6.785   4.094  -7.333
  226    HA2  GLY  56           2HA      GLY  56  -7.461   5.211  -9.455
  227    HA3  GLY  56           3HA      GLY  56  -7.206   6.739  -8.626
  228    HA   PRO  57           HA       PRO  57  -3.428   7.243 -10.306
  229    HB2  PRO  57           2HB      PRO  57  -1.751   8.389  -8.445
  230    HB3  PRO  57           3HB      PRO  57  -3.231   9.149  -9.104
  231    HG2  PRO  57           2HG      PRO  57  -2.879   7.696  -6.481
  232    HG3  PRO  57           3HG      PRO  57  -3.782   9.206  -6.827
  233    HD2  PRO  57           2HD      PRO  57  -4.946   6.694  -6.613
  234    HD3  PRO  57           3HD      PRO  57  -5.657   8.040  -7.526
  235    H    MET  58           H        MET  58  -2.695   5.274  -7.498
  236    HA   MET  58           HA       MET  58  -0.738   4.039  -6.913
  237    HB2  MET  58           2HB      MET  58  -1.057   2.829  -9.591
  238    HB3  MET  58           3HB      MET  58  -0.581   2.074  -8.087
  239    HG2  MET  58           2HG      MET  58  -2.946   2.419  -7.229
  240    HG3  MET  58           3HG      MET  58  -3.397   2.963  -8.849
  241    HE1  MET  58           3HE      MET  58  -1.793   0.286  -6.745
  242    HE2  MET  58           1HE      MET  58  -2.031  -1.252  -7.617
  243    HE3  MET  58           2HE      MET  58  -0.794  -0.103  -8.172
  244    H    LYS  59           H        LYS  59   0.314   6.210  -7.448
  245    HA   LYS  59           HA       LYS  59   1.886   6.699  -9.621
  246    HB2  LYS  59           2HB      LYS  59   1.097   8.084  -7.616
  247    HB3  LYS  59           3HB      LYS  59   2.464   7.387  -6.729
  248    HG2  LYS  59           2HG      LYS  59   2.846   8.945  -9.276
  249    HG3  LYS  59           3HG      LYS  59   2.562   9.684  -7.707
  250    HD2  LYS  59           2HD      LYS  59   4.973   8.120  -8.556
  251    HD3  LYS  59           3HD      LYS  59   4.751   9.761  -7.975
  252    HE2  LYS  59           2HE      LYS  59   4.433   9.104  -5.732
  253    HE3  LYS  59           3HE      LYS  59   4.440   7.379  -6.168
  254    HZ1  LYS  59           3HZ      LYS  59   6.773   7.616  -6.874
  255    HZ2  LYS  59           1HZ      LYS  59   6.758   9.210  -6.491
  256    HZ3  LYS  59           2HZ      LYS  59   6.622   8.070  -5.327
  257    H    GLU  60           H        GLU  60   2.532   4.581  -6.929
  258    HA   GLU  60           HA       GLU  60   4.613   3.297  -8.377
  259    HB2  GLU  60           2HB      GLU  60   5.585   5.324  -6.559
  260    HB3  GLU  60           3HB      GLU  60   5.958   3.752  -5.845
  261    HG2  GLU  60           2HG      GLU  60   7.254   3.086  -7.739
  262    HG3  GLU  60           3HG      GLU  60   6.667   4.433  -8.720
  263    H    VAL  61           H        VAL  61   5.443   1.499  -7.581
  264    HA   VAL  61           HA       VAL  61   3.799  -0.030  -5.687
  265    HB   VAL  61           HB       VAL  61   3.969  -0.823  -8.665
  266   HG11  VAL  61          1HG1      VAL  61   1.784  -1.558  -6.726
  267   HG12  VAL  61          2HG1      VAL  61   2.308  -2.404  -8.208
  268   HG13  VAL  61          3HG1      VAL  61   3.339  -2.416  -6.756
  269   HG21  VAL  61          3HG2      VAL  61   1.644  -0.170  -9.090
  270   HG22  VAL  61          1HG2      VAL  61   1.612   0.726  -7.564
  271   HG23  VAL  61          2HG2      VAL  61   2.702   1.220  -8.870
  272    H    LYS  62           H        LYS  62   5.878   0.176  -4.778
  273    HA   LYS  62           HA       LYS  62   8.174  -1.170  -6.037
  274    HB2  LYS  62           2HB      LYS  62   7.794  -0.330  -3.145
  275    HB3  LYS  62           3HB      LYS  62   9.301  -0.619  -3.977
  276    HG2  LYS  62           2HG      LYS  62   8.569   1.370  -5.548
  277    HG3  LYS  62           3HG      LYS  62   7.292   1.659  -4.376
  278    HD2  LYS  62           2HD      LYS  62   8.869   3.178  -3.698
  279    HD3  LYS  62           3HD      LYS  62   9.123   1.837  -2.587
  280    HE2  LYS  62           2HE      LYS  62  11.259   2.682  -3.322
  281    HE3  LYS  62           3HE      LYS  62  11.042   1.062  -3.998
  282    HZ1  LYS  62           3HZ      LYS  62  11.873   2.890  -5.568
  283    HZ2  LYS  62           1HZ      LYS  62  10.644   1.983  -6.127
  284    HZ3  LYS  62           2HZ      LYS  62  10.337   3.485  -5.590
  285    H    ILE  63           H        ILE  63   8.377  -3.353  -5.999
  286    HA   ILE  63           HA       ILE  63   6.896  -4.933  -3.933
  287    HB   ILE  63           HB       ILE  63   6.933  -5.692  -6.871
  288   HG12  ILE  63          2HG1      ILE  63   4.808  -4.347  -5.138
  289   HG13  ILE  63          3HG1      ILE  63   5.554  -3.758  -6.625
  290   HG21  ILE  63          1HG2      ILE  63   5.417  -6.866  -4.481
  291   HG22  ILE  63          2HG2      ILE  63   5.343  -7.447  -6.159
  292   HG23  ILE  63          3HG2      ILE  63   6.828  -7.618  -5.254
  293   HD11  ILE  63          3HD1      ILE  63   3.451  -5.845  -6.293
  294   HD12  ILE  63          1HD1      ILE  63   3.500  -4.436  -7.358
  295   HD13  ILE  63          2HD1      ILE  63   4.500  -5.832  -7.764
  296    H    LEU  64           H        LEU  64   7.875  -6.409  -3.046
  297    HA   LEU  64           HA       LEU  64  10.613  -7.369  -3.802
  298    HG   LEU  64           HG       LEU  64  11.828  -5.395  -2.526
  299    HB2  LEU  64           2HB      LEU  64   9.408  -6.543  -1.126
  300    HB3  LEU  64           3HB      LEU  64  10.964  -7.330  -1.319
  301   HD11  LEU  64          1HD1      LEU  64  10.349  -4.069  -3.582
  302   HD12  LEU  64          2HD1      LEU  64   9.102  -4.227  -2.333
  303   HD13  LEU  64          3HD1      LEU  64  10.489  -3.148  -2.100
  304   HD21  LEU  64          3HD2      LEU  64  10.656  -4.870   0.174
  305   HD22  LEU  64          1HD2      LEU  64  12.227  -5.583  -0.205
  306   HD23  LEU  64          2HD2      LEU  64  11.921  -3.877  -0.585
  307    H    ASN  65           H        ASN  65  11.040  -9.396  -2.431
  308    HA   ASN  65           HA       ASN  65  10.003 -11.526  -3.481
  309    HB2  ASN  65           2HB      ASN  65  10.676 -11.384  -0.513
  310    HB3  ASN  65           3HB      ASN  65  10.617 -12.860  -1.480
  311   HD21  ASN  65          1HD2      ASN  65  12.600 -10.183  -0.549
  312   HD22  ASN  65          2HD2      ASN  65  13.895 -10.487  -1.693
  313    H    GLY  66           H        GLY  66   8.450 -10.640  -0.370
  314    HA2  GLY  66           2HA      GLY  66   5.788 -11.258  -1.527
  315    HA3  GLY  66           3HA      GLY  66   6.210 -11.974   0.021
  316    H    PHE  67           H        PHE  67   6.945  -8.684  -1.238
  317    HA   PHE  67           HA       PHE  67   5.079  -7.456   0.747
  318    HD1  PHE  67           HD2      PHE  67   9.164  -8.562   0.500
  319    HD2  PHE  67           HD1      PHE  67   6.625  -7.270   3.718
  320    HE1  PHE  67           HE2      PHE  67  10.174 -10.285   1.986
  321    HE2  PHE  67           HE1      PHE  67   7.637  -8.958   5.218
  322    HZ   PHE  67           HZ       PHE  67   9.410 -10.490   4.345
  323    HB2  PHE  67           2HB      PHE  67   7.909  -6.417   0.438
  324    HB3  PHE  67           3HB      PHE  67   6.732  -6.011   1.657
  325    H    ALA  68           H        ALA  68   4.461  -5.376   0.256
  326    HA   ALA  68           HA       ALA  68   5.253  -4.111  -2.355
  327    HB1  ALA  68           1HB      ALA  68   2.896  -3.686  -2.756
  328    HB2  ALA  68           2HB      ALA  68   3.259  -5.430  -2.737
  329    HB3  ALA  68           3HB      ALA  68   2.470  -4.682  -1.342
  330    H    PHE  69           H        PHE  69   5.451  -2.069  -2.315
  331    HA   PHE  69           HA       PHE  69   4.440  -0.429  -0.101
  332    HD1  PHE  69           HD2      PHE  69   7.770  -2.281  -1.472
  333    HD2  PHE  69           HD1      PHE  69   6.856  -0.435   2.285
  334    HE1  PHE  69           HE2      PHE  69   8.679  -4.258  -0.284
  335    HE2  PHE  69           HE1      PHE  69   7.973  -2.344   3.481
  336    HZ   PHE  69           HZ       PHE  69   8.954  -4.252   2.117
  337    HB2  PHE  69           2HB      PHE  69   7.160   0.187  -1.230
  338    HB3  PHE  69           3HB      PHE  69   6.432   0.741   0.250
  339    H    VAL  70           H        VAL  70   2.798  -0.067  -1.317
  340    HA   VAL  70           HA       VAL  70   3.093   1.161  -3.978
  341    HB   VAL  70           HB       VAL  70   0.474   1.071  -2.495
  342   HG11  VAL  70          1HG1      VAL  70  -0.390   0.529  -4.740
  343   HG12  VAL  70          2HG1      VAL  70   0.572   2.035  -4.876
  344   HG13  VAL  70          3HG1      VAL  70   1.245   0.435  -5.380
  345   HG21  VAL  70          3HG2      VAL  70   1.871  -1.090  -4.065
  346   HG22  VAL  70          1HG2      VAL  70   1.330  -1.216  -2.333
  347   HG23  VAL  70          2HG2      VAL  70   0.122  -1.113  -3.627
  348    H    GLU  71           H        GLU  71   2.350   3.358  -4.368
  349    HA   GLU  71           HA       GLU  71   2.850   5.257  -2.093
  350    HB2  GLU  71           2HB      GLU  71   5.021   4.233  -3.065
  351    HB3  GLU  71           3HB      GLU  71   4.573   4.990  -4.588
  352    HG2  GLU  71           2HG      GLU  71   4.718   7.193  -3.725
  353    HG3  GLU  71           3HG      GLU  71   4.830   6.639  -2.074
  354    H    PHE  72           H        PHE  72   2.220   7.288  -2.592
  355    HA   PHE  72           HA       PHE  72   1.184   7.946  -5.309
  356    HD1  PHE  72           HD2      PHE  72  -0.871   6.478  -5.669
  357    HD2  PHE  72           HD1      PHE  72  -1.263   7.238  -1.460
  358    HE1  PHE  72           HE2      PHE  72  -2.235   4.402  -5.405
  359    HE2  PHE  72           HE1      PHE  72  -2.713   5.239  -1.239
  360    HZ   PHE  72           HZ       PHE  72  -3.140   3.798  -3.196
  361    HB2  PHE  72           2HB      PHE  72  -0.121   8.781  -2.731
  362    HB3  PHE  72           3HB      PHE  72  -0.716   8.956  -4.368
  363    H    GLU  73           H        GLU  73   1.070  10.249  -5.762
  364    HA   GLU  73           HA       GLU  73   3.362  11.673  -4.523
  365    HB2  GLU  73           2HB      GLU  73   3.304  13.181  -6.396
  366    HB3  GLU  73           3HB      GLU  73   3.499  11.501  -6.868
  367    HG2  GLU  73           2HG      GLU  73   1.060  11.425  -7.482
  368    HG3  GLU  73           3HG      GLU  73   0.898  13.107  -6.991
  369    H    GLU  74           H        GLU  74   0.042  11.458  -3.999
  370    HA   GLU  74           HA       GLU  74   0.027  14.020  -2.517
  371    HB2  GLU  74           2HB      GLU  74  -2.383  14.346  -3.339
  372    HB3  GLU  74           3HB      GLU  74  -1.059  14.803  -4.391
  373    HG2  GLU  74           2HG      GLU  74  -2.891  13.724  -5.617
  374    HG3  GLU  74           3HG      GLU  74  -1.358  12.895  -5.816
  375    H    ALA  75           H        ALA  75  -1.872  14.161  -0.998
  376    HA   ALA  75           HA       ALA  75  -1.708  11.696   0.590
  377    HB1  ALA  75           1HB      ALA  75  -2.586  14.507   1.318
  378    HB2  ALA  75           2HB      ALA  75  -2.293  13.158   2.443
  379    HB3  ALA  75           3HB      ALA  75  -0.948  13.832   1.510
  380    H    GLU  76           H        GLU  76  -3.904  12.547  -1.674
  381    HA   GLU  76           HA       GLU  76  -6.356  12.022  -0.090
  382    HB2  GLU  76           2HB      GLU  76  -5.664  13.238  -2.725
  383    HB3  GLU  76           3HB      GLU  76  -7.096  12.206  -2.754
  384    HG2  GLU  76           2HG      GLU  76  -6.580  14.297  -0.622
  385    HG3  GLU  76           3HG      GLU  76  -7.413  14.703  -2.141
  386    H    SER  77           H        SER  77  -4.589  10.545  -2.861
  387    HA   SER  77           HA       SER  77  -6.154   8.124  -2.893
  388    HG   SER  77           HG       SER  77  -3.737   6.278  -3.934
  389    HB2  SER  77           2HB      SER  77  -4.502   8.790  -4.660
  390    HB3  SER  77           3HB      SER  77  -3.214   8.313  -3.554
  391    H    ALA  78           H        ALA  78  -3.361   9.197  -0.937
  392    HA   ALA  78           HA       ALA  78  -3.006   6.715   0.443
  393    HB1  ALA  78           1HB      ALA  78  -2.363   9.459   1.559
  394    HB2  ALA  78           2HB      ALA  78  -1.537   7.897   1.828
  395    HB3  ALA  78           3HB      ALA  78  -1.440   8.708   0.241
  396    H    ALA  79           H        ALA  79  -4.747   9.720   1.541
  397    HA   ALA  79           HA       ALA  79  -5.830   8.692   3.916
  398    HB1  ALA  79           1HB      ALA  79  -7.544  10.457   3.642
  399    HB2  ALA  79           2HB      ALA  79  -5.906  11.049   3.321
  400    HB3  ALA  79           3HB      ALA  79  -7.010  10.714   1.965
  401    H    LYS  80           H        LYS  80  -7.336   8.536   0.605
  402    HA   LYS  80           HA       LYS  80  -9.492   6.949   1.690
  403    HB2  LYS  80           2HB      LYS  80 -10.293   6.606  -0.506
  404    HB3  LYS  80           3HB      LYS  80  -9.713   8.267  -0.397
  405    HG2  LYS  80           2HG      LYS  80  -7.570   7.404  -1.526
  406    HG3  LYS  80           3HG      LYS  80  -8.392   5.869  -1.742
  407    HD2  LYS  80           2HD      LYS  80  -8.790   6.861  -3.782
  408    HD3  LYS  80           3HD      LYS  80 -10.252   7.323  -2.941
  409    HE2  LYS  80           2HE      LYS  80  -7.801   9.028  -3.618
  410    HE3  LYS  80           3HE      LYS  80  -9.392   9.128  -4.336
  411    HZ1  LYS  80           3HZ      LYS  80  -9.192  10.894  -2.681
  412    HZ2  LYS  80           1HZ      LYS  80 -10.254   9.818  -2.101
  413    HZ3  LYS  80           2HZ      LYS  80  -8.706   9.854  -1.539
  414    H    ALA  81           H        ALA  81  -6.449   5.969   0.099
  415    HA   ALA  81           HA       ALA  81  -7.011   3.236  -0.064
  416    HB1  ALA  81           1HB      ALA  81  -4.341   4.540   0.565
  417    HB2  ALA  81           2HB      ALA  81  -4.574   2.855   0.054
  418    HB3  ALA  81           3HB      ALA  81  -5.001   4.168  -1.033
  419    H    ILE  82           H        ILE  82  -5.566   5.066   2.687
  420    HA   ILE  82           HA       ILE  82  -5.451   3.082   4.622
  421    HB   ILE  82           HB       ILE  82  -6.145   6.005   4.942
  422   HG12  ILE  82          2HG1      ILE  82  -3.535   4.895   5.898
  423   HG13  ILE  82          3HG1      ILE  82  -3.704   5.038   4.163
  424   HG21  ILE  82          1HG2      ILE  82  -5.487   5.787   7.340
  425   HG22  ILE  82          2HG2      ILE  82  -6.946   4.883   6.965
  426   HG23  ILE  82          3HG2      ILE  82  -5.395   4.029   7.140
  427   HD11  ILE  82          3HD1      ILE  82  -4.370   7.409   4.458
  428   HD12  ILE  82          1HD1      ILE  82  -4.112   7.269   6.199
  429   HD13  ILE  82          2HD1      ILE  82  -2.734   7.075   5.079
  430    H    GLU  83           H        GLU  83  -8.246   5.342   4.164
  431    HA   GLU  83           HA       GLU  83  -9.893   3.920   6.009
  432    HB2  GLU  83           2HB      GLU  83 -10.591   5.824   3.776
  433    HB3  GLU  83           3HB      GLU  83 -11.750   5.243   4.978
  434    HG2  GLU  83           2HG      GLU  83  -9.186   6.790   5.625
  435    HG3  GLU  83           3HG      GLU  83 -10.795   7.481   5.508
  436    H    GLU  84           H        GLU  84  -9.262   3.203   2.649
  437    HA   GLU  84           HA       GLU  84 -11.602   1.519   2.149
  438    HB2  GLU  84           2HB      GLU  84  -8.974   1.993   0.694
  439    HB3  GLU  84           3HB      GLU  84 -10.150   0.830   0.131
  440    HG2  GLU  84           2HG      GLU  84 -11.005   3.687   0.545
  441    HG3  GLU  84           3HG      GLU  84 -10.065   3.252  -0.874
  442    H    VAL  85           H        VAL  85  -8.165   0.919   2.989
  443    HA   VAL  85           HA       VAL  85  -8.780  -1.962   3.467
  444    HB   VAL  85           HB       VAL  85  -8.407  -1.671   1.122
  445   HG11  VAL  85          1HG1      VAL  85  -6.982   0.188   0.904
  446   HG12  VAL  85          2HG1      VAL  85  -5.696  -0.582   1.833
  447   HG13  VAL  85          3HG1      VAL  85  -6.112  -1.200   0.231
  448   HG21  VAL  85          3HG2      VAL  85  -7.728  -3.797   2.238
  449   HG22  VAL  85          1HG2      VAL  85  -6.923  -3.455   0.700
  450   HG23  VAL  85          2HG2      VAL  85  -6.055  -3.192   2.216
  451    H    HIS  86           H        HIS  86  -7.080   0.699   4.744
  452    HA   HIS  86           HA       HIS  86  -4.896  -0.789   5.971
  453    HD1  HIS  86           HD1      HIS  86  -2.660   1.781   6.954
  454    HD2  HIS  86           HD2      HIS  86  -5.649   0.533   9.618
  455    HE1  HIS  86           HE1      HIS  86  -1.506   1.452   9.226
  456    HB2  HIS  86           2HB      HIS  86  -5.003   1.690   5.927
  457    HB3  HIS  86           3HB      HIS  86  -6.327   1.649   7.091
  458    H    GLY  87           H        GLY  87  -5.155  -2.469   7.346
  459    HA2  GLY  87           2HA      GLY  87  -5.461  -3.184   9.591
  460    HA3  GLY  87           3HA      GLY  87  -6.748  -2.001   9.816
  461    H    LYS  88           H        LYS  88  -7.344  -3.257   6.896
  462    HA   LYS  88           HA       LYS  88  -9.374  -5.248   7.668
  463    HB2  LYS  88           2HB      LYS  88  -8.502  -3.665   5.241
  464    HB3  LYS  88           3HB      LYS  88  -9.277  -5.162   4.972
  465    HG2  LYS  88           2HG      LYS  88 -10.976  -3.479   4.931
  466    HG3  LYS  88           3HG      LYS  88 -11.214  -4.401   6.412
  467    HD2  LYS  88           2HD      LYS  88 -11.535  -2.259   7.189
  468    HD3  LYS  88           3HD      LYS  88  -9.810  -2.407   7.513
  469    HE2  LYS  88           2HE      LYS  88  -9.385  -1.311   5.275
  470    HE3  LYS  88           3HE      LYS  88 -11.128  -1.074   5.105
  471    HZ1  LYS  88           3HZ      LYS  88  -9.352   0.104   7.178
  472    HZ2  LYS  88           1HZ      LYS  88 -10.176   0.914   6.004
  473    HZ3  LYS  88           2HZ      LYS  88 -10.991   0.223   7.231
  474    H    SER  89           H        SER  89  -9.182  -7.338   7.174
  475    HA   SER  89           HA       SER  89  -6.447  -8.380   7.218
  476    HG   SER  89           HG       SER  89  -9.629 -10.149   6.883
  477    HB2  SER  89           2HB      SER  89  -7.552 -10.532   7.792
  478    HB3  SER  89           3HB      SER  89  -7.850  -9.193   8.902
  479    H    PHE  90           H        PHE  90  -5.531  -8.298   5.128
  480    HA   PHE  90           HA       PHE  90  -7.020  -9.716   2.973
  481    HD1  PHE  90           HD2      PHE  90  -4.039 -10.570   1.110
  482    HD2  PHE  90           HD1      PHE  90  -7.122  -7.593   0.652
  483    HE1  PHE  90           HE2      PHE  90  -4.600 -11.492  -1.125
  484    HE2  PHE  90           HE1      PHE  90  -7.632  -8.473  -1.612
  485    HZ   PHE  90           HZ       PHE  90  -6.400 -10.447  -2.483
  486    HB2  PHE  90           2HB      PHE  90  -5.875  -7.634   2.544
  487    HB3  PHE  90           3HB      PHE  90  -4.321  -8.375   2.778
  488    H    ALA  91           H        ALA  91  -6.563 -11.665   2.235
  489    HA   ALA  91           HA       ALA  91  -6.008 -13.810   2.115
  490    HB1  ALA  91           1HB      ALA  91  -3.621 -14.364   2.014
  491    HB2  ALA  91           2HB      ALA  91  -4.005 -12.890   1.118
  492    HB3  ALA  91           3HB      ALA  91  -3.214 -12.782   2.716
  493    H    ASN  92           H        ASN  92  -4.224 -12.680   4.985
  494    HA   ASN  92           HA       ASN  92  -5.423 -14.709   6.737
  495    HB2  ASN  92           2HB      ASN  92  -2.975 -15.384   7.436
  496    HB3  ASN  92           3HB      ASN  92  -3.740 -16.125   6.048
  497   HD21  ASN  92          2HD2      ASN  92  -1.022 -14.006   7.024
  498   HD22  ASN  92          1HD2      ASN  92  -0.432 -13.846   5.370
  499    H    GLN  93           H        GLN  93  -4.128 -11.527   6.330
  500    HA   GLN  93           HA       GLN  93  -4.429 -10.848   9.138
  501    HB2  GLN  93           2HB      GLN  93  -2.036 -10.310   9.545
  502    HB3  GLN  93           3HB      GLN  93  -2.372 -12.012   9.416
  503    HG2  GLN  93           2HG      GLN  93  -1.570 -11.705   6.915
  504    HG3  GLN  93           3HG      GLN  93  -0.892 -10.199   7.516
  505   HE21  GLN  93          2HE2      GLN  93   1.246 -10.422   8.380
  506   HE22  GLN  93          1HE2      GLN  93   1.893 -11.992   8.844
  507    HA   PRO  94           HA       PRO  94  -4.905  -7.013   7.356
  508    HB2  PRO  94           2HB      PRO  94  -4.426  -5.149   9.356
  509    HB3  PRO  94           3HB      PRO  94  -5.791  -6.310   9.398
  510    HG2  PRO  94           2HG      PRO  94  -3.036  -6.631  10.649
  511    HG3  PRO  94           3HG      PRO  94  -4.636  -6.816  11.450
  512    HD2  PRO  94           2HD      PRO  94  -3.269  -8.931  10.535
  513    HD3  PRO  94           3HD      PRO  94  -5.038  -8.839  10.265
  514    H    LEU  95           H        LEU  95  -4.315  -5.389   6.300
  515    HA   LEU  95           HA       LEU  95  -1.645  -4.915   5.391
  516    HG   LEU  95           HG       LEU  95  -3.991  -3.810   2.745
  517    HB2  LEU  95           2HB      LEU  95  -4.321  -3.457   5.260
  518    HB3  LEU  95           3HB      LEU  95  -2.917  -2.826   4.507
  519   HD11  LEU  95          1HD1      LEU  95  -2.839  -5.631   1.888
  520   HD12  LEU  95          2HD1      LEU  95  -1.656  -4.721   2.859
  521   HD13  LEU  95          3HD1      LEU  95  -2.402  -6.220   3.474
  522   HD21  LEU  95          3HD2      LEU  95  -5.153  -5.679   2.576
  523   HD22  LEU  95          1HD2      LEU  95  -4.670  -6.293   4.193
  524   HD23  LEU  95          2HD2      LEU  95  -5.731  -4.862   4.023
  525    H    GLU  96           H        GLU  96  -0.404  -2.948   5.503
  526    HA   GLU  96           HA       GLU  96  -1.064  -1.027   7.667
  527    HB2  GLU  96           2HB      GLU  96   0.908  -2.654   8.098
  528    HB3  GLU  96           3HB      GLU  96   1.794  -1.701   6.902
  529    HG2  GLU  96           2HG      GLU  96   0.918   0.331   8.356
  530    HG3  GLU  96           3HG      GLU  96   0.712  -0.879   9.607
  531    H    VAL  97           H        VAL  97  -2.145  -0.689   5.413
  532    HA   VAL  97           HA       VAL  97  -0.859   0.728   3.258
  533    HB   VAL  97           HB       VAL  97  -3.675   0.574   4.355
  534   HG11  VAL  97          1HG1      VAL  97  -3.628   2.621   2.984
  535   HG12  VAL  97          2HG1      VAL  97  -2.985   1.682   1.615
  536   HG13  VAL  97          3HG1      VAL  97  -4.585   1.341   2.236
  537   HG21  VAL  97          3HG2      VAL  97  -2.972  -0.609   1.663
  538   HG22  VAL  97          1HG2      VAL  97  -2.246  -1.393   3.050
  539   HG23  VAL  97          2HG2      VAL  97  -4.003  -1.253   2.962
  540    H    VAL  98           H        VAL  98   0.367   2.720   4.061
  541    HA   VAL  98           HA       VAL  98  -1.288   4.641   5.538
  542    HB   VAL  98           HB       VAL  98  -0.541   2.498   6.904
  543   HG11  VAL  98          1HG1      VAL  98   1.299   2.367   8.150
  544   HG12  VAL  98          2HG1      VAL  98   1.924   2.588   6.511
  545   HG13  VAL  98          3HG1      VAL  98   1.939   3.905   7.745
  546   HG21  VAL  98          3HG2      VAL  98  -1.965   4.053   7.586
  547   HG22  VAL  98          1HG2      VAL  98  -0.804   3.731   8.893
  548   HG23  VAL  98          2HG2      VAL  98  -0.676   5.252   7.953
  549    H    TYR  99           H        TYR  99   1.569   5.069   6.762
  550    HA   TYR  99           HA       TYR  99   2.837   6.735   4.657
  551    HD1  TYR  99           HD1      TYR  99   1.016   8.156   4.822
  552    HD2  TYR  99           HD2      TYR  99   1.758   8.269   9.076
  553    HE1  TYR  99           HE1      TYR  99  -1.147   9.301   5.157
  554    HE2  TYR  99           HE2      TYR  99  -0.424   9.415   9.412
  555    HH   TYR  99           HH       TYR  99  -2.604  10.203   6.676
  556    HB2  TYR  99           2HB      TYR  99   3.088   6.908   7.686
  557    HB3  TYR  99           3HB      TYR  99   3.667   8.077   6.517
  558    H    SER 100           H        SER 100   3.411   4.300   4.084
  559    HA   SER 100           HA       SER 100   5.079   2.772   5.596
  560    HG   SER 100           HG       SER 100   7.077   1.577   3.285
  561    HB2  SER 100           2HB      SER 100   4.322   1.992   3.422
  562    HB3  SER 100           3HB      SER 100   5.606   2.854   2.688
  563    H    LYS 101           H        LYS 101   7.272   2.812   6.196
  564    HA   LYS 101           HA       LYS 101   8.327   5.429   6.593
  565    HB2  LYS 101           2HB      LYS 101   9.984   2.931   7.004
  566    HB3  LYS 101           3HB      LYS 101   9.937   4.400   7.971
  567    HG2  LYS 101           2HG      LYS 101   7.865   2.168   7.862
  568    HG3  LYS 101           3HG      LYS 101   8.951   2.522   9.187
  569    HD2  LYS 101           2HD      LYS 101   7.774   4.436   9.861
  570    HD3  LYS 101           3HD      LYS 101   6.936   4.630   8.330
  571    HE2  LYS 101           2HE      LYS 101   6.466   2.238  10.154
  572    HE3  LYS 101           3HE      LYS 101   5.561   3.746  10.307
  573    HZ1  LYS 101           3HZ      LYS 101   4.392   2.108   8.903
  574    HZ2  LYS 101           1HZ      LYS 101   4.776   3.474   8.037
  575    HZ3  LYS 101           2HZ      LYS 101   5.623   2.069   7.865
  576    H    LEU 102           H        LEU 102  10.082   6.518   5.747
  577    HA   LEU 102           HA       LEU 102  10.403   6.448   3.042
  578    HG   LEU 102           HG       LEU 102  10.178   8.581   5.257
  579    HB2  LEU 102           2HB      LEU 102  12.426   7.494   5.056
  580    HB3  LEU 102           3HB      LEU 102  12.434   7.871   3.340
  581   HD11  LEU 102          1HD1      LEU 102  12.330  10.336   4.016
  582   HD12  LEU 102          2HD1      LEU 102  10.988  10.880   5.047
  583   HD13  LEU 102          3HD1      LEU 102  12.248   9.835   5.719
  584   HD21  LEU 102          3HD2      LEU 102   9.402  10.065   3.427
  585   HD22  LEU 102          1HD2      LEU 102  10.663   9.408   2.353
  586   HD23  LEU 102          2HD2      LEU 102   9.340   8.372   2.942
  587    HA   PRO 103           HA       PRO 103  14.432   3.698   3.105
  588    HB2  PRO 103           2HB      PRO 103  13.548   1.830   5.311
  589    HB3  PRO 103           3HB      PRO 103  15.209   2.261   4.799
  590    HG2  PRO 103           2HG      PRO 103  14.146   3.400   7.004
  591    HG3  PRO 103           3HG      PRO 103  15.028   4.428   5.818
  592    HD2  PRO 103           2HD      PRO 103  12.045   4.004   6.092
  593    HD3  PRO 103           3HD      PRO 103  12.946   5.538   5.922
  594    H    ALA 104           H        ALA 104  11.076   2.736   3.374
  595    HA   ALA 104           HA       ALA 104  11.430   0.438   1.511
  596    HB1  ALA 104           1HB      ALA 104  10.074  -0.953   2.983
  597    HB2  ALA 104           2HB      ALA 104  11.506  -0.393   3.850
  598    HB3  ALA 104           3HB      ALA 104   9.928   0.366   4.164
  Start of MODEL   19
    1    H    GLU  28           H        GLU  28   8.317  13.192  10.562
    2    HA   GLU  28           HA       GLU  28   6.551  13.966   9.134
    3    HB2  GLU  28           2HB      GLU  28   8.854  15.130   7.511
    4    HB3  GLU  28           3HB      GLU  28   7.257  14.829   6.848
    5    HG2  GLU  28           2HG      GLU  28   7.231  17.085   7.368
    6    HG3  GLU  28           3HG      GLU  28   6.248  16.308   8.600
    7    H    LEU  29           H        LEU  29   6.162  13.000   6.808
    8    HA   LEU  29           HA       LEU  29   7.654  10.490   6.340
    9    HG   LEU  29           HG       LEU  29   5.100   8.177   7.738
   10    HB2  LEU  29           2HB      LEU  29   5.312  10.576   7.950
   11    HB3  LEU  29           3HB      LEU  29   4.719  10.110   6.389
   12   HD11  LEU  29          1HD1      LEU  29   6.339   6.758   6.341
   13   HD12  LEU  29          2HD1      LEU  29   5.869   8.042   5.284
   14   HD13  LEU  29          3HD1      LEU  29   7.518   8.025   5.912
   15   HD21  LEU  29          3HD2      LEU  29   6.753   9.102   9.290
   16   HD22  LEU  29          1HD2      LEU  29   7.236   7.525   8.644
   17   HD23  LEU  29          2HD2      LEU  29   8.002   9.003   8.028
   18    H    SER  30           H        SER  30   6.580   9.351   4.373
   19    HA   SER  30           HA       SER  30   6.542  10.838   2.039
   20    HG   SER  30           HG       SER  30   6.625   7.290   2.925
   21    HB2  SER  30           2HB      SER  30   4.907   8.328   2.487
   22    HB3  SER  30           3HB      SER  30   5.705   8.850   0.989
   23    H    ASN  31           H        ASN  31   3.878  10.463   4.278
   24    HA   ASN  31           HA       ASN  31   1.687  10.900   4.330
   25    HB2  ASN  31           2HB      ASN  31   1.848  12.980   2.202
   26    HB3  ASN  31           3HB      ASN  31   0.913  12.960   3.678
   27   HD21  ASN  31          1HD2      ASN  31   3.734  14.068   2.161
   28   HD22  ASN  31          2HD2      ASN  31   4.526  14.715   3.588
   29    H    THR  32           H        THR  32   2.778   9.226   1.758
   30    HA   THR  32           HA       THR  32   0.175   9.189   0.270
   31    HB   THR  32           HB       THR  32   1.499   9.428  -1.809
   32    HG1  THR  32           1HG      THR  32   3.628  10.359  -0.259
   33   HG21  THR  32          1HG2      THR  32   0.484  11.454  -0.857
   34   HG22  THR  32          2HG2      THR  32   1.987  11.789   0.026
   35   HG23  THR  32          3HG2      THR  32   1.996  11.765  -1.735
   36    H    ARG  33           H        ARG  33   1.689   6.761   1.832
   37    HA   ARG  33           HA       ARG  33   2.010   5.131  -0.619
   38    HE   ARG  33           HE       ARG  33   6.767   6.901  -2.389
   39    HB2  ARG  33           2HB      ARG  33   4.205   5.576   1.357
   40    HB3  ARG  33           3HB      ARG  33   4.087   4.080   0.391
   41    HG2  ARG  33           2HG      ARG  33   4.251   5.068  -1.566
   42    HG3  ARG  33           3HG      ARG  33   4.110   6.731  -0.888
   43    HD2  ARG  33           2HD      ARG  33   6.314   6.679  -0.094
   44    HD3  ARG  33           3HD      ARG  33   6.438   4.914  -0.228
   45   HH11  ARG  33          2HH1      ARG  33   6.063   3.525  -1.857
   46   HH12  ARG  33          1HH1      ARG  33   6.220   3.144  -3.550
   47   HH21  ARG  33          1HH2      ARG  33   7.124   6.378  -4.377
   48   HH22  ARG  33          2HH2      ARG  33   7.078   4.740  -5.000
   49    H    LEU  34           H        LEU  34   1.361   3.265  -0.712
   50    HA   LEU  34           HA       LEU  34   0.299   2.095   1.759
   51    HG   LEU  34           HG       LEU  34  -2.540   2.601  -0.526
   52    HB2  LEU  34           2HB      LEU  34  -0.430   1.152  -0.933
   53    HB3  LEU  34           3HB      LEU  34  -1.324   1.021   0.544
   54   HD11  LEU  34          1HD1      LEU  34  -0.744   4.781   0.469
   55   HD12  LEU  34          2HD1      LEU  34  -2.483   4.593   0.578
   56   HD13  LEU  34          3HD1      LEU  34  -1.463   3.653   1.639
   57   HD21  LEU  34          3HD2      LEU  34  -1.192   4.544  -1.847
   58   HD22  LEU  34          1HD2      LEU  34  -0.032   3.237  -1.978
   59   HD23  LEU  34          2HD2      LEU  34  -1.673   2.994  -2.564
   60    H    PHE  35           H        PHE  35   1.624   0.895   2.781
   61    HA   PHE  35           HA       PHE  35   3.529  -0.845   1.341
   62    HD1  PHE  35           HD1      PHE  35   4.864  -2.639   2.340
   63    HD2  PHE  35           HD2      PHE  35   5.459   0.257   5.493
   64    HE1  PHE  35           HE1      PHE  35   6.750  -3.954   3.195
   65    HE2  PHE  35           HE2      PHE  35   7.335  -1.101   6.365
   66    HZ   PHE  35           HZ       PHE  35   8.005  -3.200   5.205
   67    HB2  PHE  35           2HB      PHE  35   4.476   0.630   2.714
   68    HB3  PHE  35           3HB      PHE  35   3.522   0.527   4.028
   69    H    VAL  36           H        VAL  36   2.649  -2.627   0.761
   70    HA   VAL  36           HA       VAL  36   1.050  -4.198   2.734
   71    HB   VAL  36           HB       VAL  36  -0.539  -4.717   0.937
   72   HG11  VAL  36          1HG1      VAL  36  -1.768  -2.623   1.222
   73   HG12  VAL  36          2HG1      VAL  36  -0.913  -3.001   2.746
   74   HG13  VAL  36          3HG1      VAL  36  -0.291  -1.752   1.666
   75   HG21  VAL  36          3HG2      VAL  36   0.443  -2.146  -0.352
   76   HG22  VAL  36          1HG2      VAL  36   0.964  -3.772  -0.905
   77   HG23  VAL  36          2HG2      VAL  36  -0.760  -3.365  -0.924
   78    H    ARG  37           H        ARG  37   1.481  -6.139   2.874
   79    HA   ARG  37           HA       ARG  37   3.318  -7.598   1.042
   80    HE   ARG  37           HE       ARG  37   4.641  -6.708   7.216
   81    HB2  ARG  37           2HB      ARG  37   4.967  -7.787   2.975
   82    HB3  ARG  37           3HB      ARG  37   4.818  -6.201   2.240
   83    HG2  ARG  37           2HG      ARG  37   3.700  -5.254   4.058
   84    HG3  ARG  37           3HG      ARG  37   3.150  -6.804   4.671
   85    HD2  ARG  37           2HD      ARG  37   5.555  -7.361   5.224
   86    HD3  ARG  37           3HD      ARG  37   5.980  -5.697   4.825
   87   HH11  ARG  37          1HH1      ARG  37   5.004  -3.680   5.395
   88   HH12  ARG  37          2HH1      ARG  37   4.469  -2.775   6.802
   89   HH21  ARG  37          1HH2      ARG  37   3.977  -5.319   8.878
   90   HH22  ARG  37          2HH2      ARG  37   3.969  -3.585   8.539
   91    HA   PRO  38           HA       PRO  38   1.205 -10.558   4.173
   92    HB2  PRO  38           2HB      PRO  38  -1.384 -10.962   3.528
   93    HB3  PRO  38           3HB      PRO  38  -0.894  -9.528   4.495
   94    HG2  PRO  38           2HG      PRO  38  -1.338  -9.614   1.516
   95    HG3  PRO  38           3HG      PRO  38  -2.135  -8.602   2.728
   96    HD2  PRO  38           2HD      PRO  38   0.104  -7.724   1.421
   97    HD3  PRO  38           3HD      PRO  38  -0.079  -7.375   3.167
   98    H    PHE  39           H        PHE  39   0.796 -10.133   0.733
   99    HA   PHE  39           HA       PHE  39  -0.074 -12.757   0.061
  100    HD1  PHE  39           HD1      PHE  39   2.156  -9.292  -1.349
  101    HD2  PHE  39           HD2      PHE  39  -2.087  -9.991  -1.172
  102    HE1  PHE  39           HE1      PHE  39   1.753  -6.844  -1.214
  103    HE2  PHE  39           HE2      PHE  39  -2.481  -7.556  -0.880
  104    HZ   PHE  39           HZ       PHE  39  -0.570  -5.969  -1.011
  105    HB2  PHE  39           2HB      PHE  39   1.069 -11.427  -2.197
  106    HB3  PHE  39           3HB      PHE  39  -0.604 -11.758  -1.831
  107    HA   PRO  40           HA       PRO  40   3.880 -14.728  -0.852
  108    HB2  PRO  40           2HB      PRO  40   3.162 -16.486  -2.851
  109    HB3  PRO  40           3HB      PRO  40   2.745 -16.732  -1.145
  110    HG2  PRO  40           2HG      PRO  40   1.034 -15.519  -3.347
  111    HG3  PRO  40           3HG      PRO  40   0.563 -16.772  -2.154
  112    HD2  PRO  40           2HD      PRO  40  -0.035 -14.120  -1.850
  113    HD3  PRO  40           3HD      PRO  40   0.322 -15.173  -0.452
  114    H    LEU  41           H        LEU  41   5.012 -15.331  -3.128
  115    HA   LEU  41           HA       LEU  41   5.816 -12.882  -4.204
  116    HG   LEU  41           HG       LEU  41   8.396 -15.728  -4.488
  117    HB2  LEU  41           2HB      LEU  41   6.128 -15.625  -5.453
  118    HB3  LEU  41           3HB      LEU  41   7.146 -14.202  -5.727
  119   HD11  LEU  41          1HD1      LEU  41   7.422 -13.606  -2.544
  120   HD12  LEU  41          2HD1      LEU  41   8.897 -14.578  -2.359
  121   HD13  LEU  41          3HD1      LEU  41   8.752 -13.471  -3.726
  122   HD21  LEU  41          3HD2      LEU  41   7.878 -16.841  -2.507
  123   HD22  LEU  41          1HD2      LEU  41   6.440 -15.880  -2.183
  124   HD23  LEU  41          2HD2      LEU  41   6.452 -17.058  -3.531
  125    H    ASP  42           H        ASP  42   3.101 -14.723  -5.095
  126    HA   ASP  42           HA       ASP  42   2.830 -14.233  -7.860
  127    HB2  ASP  42           2HB      ASP  42   0.694 -14.807  -5.780
  128    HB3  ASP  42           3HB      ASP  42   0.538 -15.036  -7.516
  129    H    VAL  43           H        VAL  43   2.151 -11.920  -5.287
  130    HA   VAL  43           HA       VAL  43  -0.061 -10.548  -6.480
  131    HB   VAL  43           HB       VAL  43   0.460 -10.168  -4.191
  132   HG11  VAL  43          1HG1      VAL  43   3.130  -9.051  -5.113
  133   HG12  VAL  43          2HG1      VAL  43   2.437  -8.686  -3.544
  134   HG13  VAL  43          3HG1      VAL  43   2.798 -10.361  -3.949
  135   HG21  VAL  43          3HG2      VAL  43   0.245  -7.780  -4.013
  136   HG22  VAL  43          1HG2      VAL  43   0.917  -7.525  -5.630
  137   HG23  VAL  43          2HG2      VAL  43  -0.661  -8.316  -5.425
  138    H    GLN  44           H        GLN  44  -0.265  -8.723  -7.779
  139    HA   GLN  44           HA       GLN  44   2.102  -7.696  -9.231
  140    HB2  GLN  44           2HB      GLN  44  -0.307  -8.658 -10.785
  141    HB3  GLN  44           3HB      GLN  44   1.220  -8.093 -11.418
  142    HG2  GLN  44           2HG      GLN  44   0.696 -10.740 -10.048
  143    HG3  GLN  44           3HG      GLN  44   0.921 -10.480 -11.758
  144   HE21  GLN  44          2HE2      GLN  44   2.472 -11.933  -9.457
  145   HE22  GLN  44          1HE2      GLN  44   4.142 -11.490  -9.814
  146    H    GLU  45           H        GLU  45   1.353  -5.955 -10.811
  147    HA   GLU  45           HA       GLU  45  -0.043  -3.832  -9.590
  148    HB2  GLU  45           2HB      GLU  45   1.547  -3.671 -11.479
  149    HB3  GLU  45           3HB      GLU  45   0.355  -4.416 -12.549
  150    HG2  GLU  45           2HG      GLU  45  -1.158  -2.517 -12.245
  151    HG3  GLU  45           3HG      GLU  45  -0.088  -1.807 -11.035
  152    H    SER  46           H        SER  46  -1.475  -6.524 -11.496
  153    HA   SER  46           HA       SER  46  -4.083  -5.368 -11.747
  154    HG   SER  46           HG       SER  46  -2.635  -8.813 -11.247
  155    HB2  SER  46           2HB      SER  46  -4.651  -7.979 -11.854
  156    HB3  SER  46           3HB      SER  46  -3.870  -7.109 -13.176
  157    H    GLU  47           H        GLU  47  -2.555  -7.050  -8.983
  158    HA   GLU  47           HA       GLU  47  -5.101  -7.709  -7.645
  159    HB2  GLU  47           2HB      GLU  47  -2.105  -8.174  -7.313
  160    HB3  GLU  47           3HB      GLU  47  -3.157  -8.356  -5.955
  161    HG2  GLU  47           2HG      GLU  47  -2.772 -10.493  -7.044
  162    HG3  GLU  47           3HG      GLU  47  -4.479 -10.039  -7.106
  163    H    LEU  48           H        LEU  48  -2.244  -5.608  -7.449
  164    HA   LEU  48           HA       LEU  48  -3.090  -3.983  -5.238
  165    HG   LEU  48           HG       LEU  48  -0.639  -5.416  -6.042
  166    HB2  LEU  48           2HB      LEU  48  -1.359  -3.356  -7.639
  167    HB3  LEU  48           3HB      LEU  48  -1.385  -2.472  -6.226
  168   HD11  LEU  48          1HD1      LEU  48   1.687  -4.790  -6.295
  169   HD12  LEU  48          2HD1      LEU  48   0.785  -4.430  -7.767
  170   HD13  LEU  48          3HD1      LEU  48   1.232  -3.112  -6.671
  171   HD21  LEU  48          3HD2      LEU  48  -0.938  -4.102  -3.984
  172   HD22  LEU  48          1HD2      LEU  48   0.708  -4.652  -4.269
  173   HD23  LEU  48          2HD2      LEU  48   0.293  -2.917  -4.623
  174    H    ASN  49           H        ASN  49  -3.661  -3.831  -8.804
  175    HA   ASN  49           HA       ASN  49  -5.278  -1.455  -8.741
  176    HB2  ASN  49           2HB      ASN  49  -4.942  -3.677 -10.699
  177    HB3  ASN  49           3HB      ASN  49  -6.490  -2.870 -10.756
  178   HD21  ASN  49          2HD2      ASN  49  -3.010  -2.284 -10.950
  179   HD22  ASN  49          1HD2      ASN  49  -3.174  -0.844 -11.957
  180    H    GLU  50           H        GLU  50  -6.340  -4.875  -8.267
  181    HA   GLU  50           HA       GLU  50  -9.079  -4.246  -7.739
  182    HB2  GLU  50           2HB      GLU  50  -7.179  -6.438  -7.010
  183    HB3  GLU  50           3HB      GLU  50  -8.678  -6.345  -6.093
  184    HG2  GLU  50           2HG      GLU  50  -8.474  -6.431  -9.154
  185    HG3  GLU  50           3HG      GLU  50  -8.677  -7.854  -8.148
  186    H    ILE  51           H        ILE  51  -6.264  -4.098  -5.565
  187    HA   ILE  51           HA       ILE  51  -7.849  -3.554  -3.183
  188    HB   ILE  51           HB       ILE  51  -4.927  -3.460  -3.882
  189   HG12  ILE  51          2HG1      ILE  51  -6.399  -5.408  -2.040
  190   HG13  ILE  51          3HG1      ILE  51  -6.201  -5.717  -3.752
  191   HG21  ILE  51          1HG2      ILE  51  -5.219  -1.907  -2.005
  192   HG22  ILE  51          2HG2      ILE  51  -6.192  -3.116  -1.134
  193   HG23  ILE  51          3HG2      ILE  51  -4.454  -3.367  -1.416
  194   HD11  ILE  51          3HD1      ILE  51  -4.488  -6.931  -2.624
  195   HD12  ILE  51          1HD1      ILE  51  -3.694  -5.585  -3.450
  196   HD13  ILE  51          2HD1      ILE  51  -3.969  -5.521  -1.696
  197    H    PHE  52           H        PHE  52  -5.936  -1.501  -5.382
  198    HA   PHE  52           HA       PHE  52  -6.346   0.892  -3.749
  199    HD1  PHE  52           HD1      PHE  52  -4.488   1.547  -2.417
  200    HD2  PHE  52           HD2      PHE  52  -2.820  -0.975  -5.468
  201    HE1  PHE  52           HE1      PHE  52  -3.148   0.359  -0.697
  202    HE2  PHE  52           HE2      PHE  52  -1.449  -2.089  -3.751
  203    HZ   PHE  52           HZ       PHE  52  -1.593  -1.492  -1.449
  204    HB2  PHE  52           2HB      PHE  52  -4.607   0.324  -6.006
  205    HB3  PHE  52           3HB      PHE  52  -4.635   1.886  -5.145
  206    H    GLY  53           H        GLY  53  -7.283  -0.367  -6.903
  207    HA2  GLY  53           2HA      GLY  53  -8.072   1.868  -8.367
  208    HA3  GLY  53           3HA      GLY  53  -8.832   0.279  -8.410
  209    HA   PRO  54           HA       PRO  54 -12.366   1.819  -6.031
  210    HB2  PRO  54           2HB      PRO  54 -11.396   1.359  -3.226
  211    HB3  PRO  54           3HB      PRO  54 -12.935   0.857  -3.987
  212    HG2  PRO  54           2HG      PRO  54 -10.970  -0.957  -3.555
  213    HG3  PRO  54           3HG      PRO  54 -11.860  -0.968  -5.120
  214    HD2  PRO  54           2HD      PRO  54  -9.227   0.373  -4.465
  215    HD3  PRO  54           3HD      PRO  54  -9.539  -0.781  -5.786
  216    H    PHE  55           H        PHE  55  -9.276   2.981  -4.754
  217    HA   PHE  55           HA       PHE  55 -10.398   5.417  -3.547
  218    HD1  PHE  55           HD2      PHE  55 -10.313   3.963  -1.829
  219    HD2  PHE  55           HD1      PHE  55  -6.268   3.133  -3.067
  220    HE1  PHE  55           HE2      PHE  55 -10.458   1.721  -0.771
  221    HE2  PHE  55           HE1      PHE  55  -6.326   1.042  -1.579
  222    HZ   PHE  55           HZ       PHE  55  -8.444   0.312  -0.600
  223    HB2  PHE  55           2HB      PHE  55  -7.479   4.801  -4.015
  224    HB3  PHE  55           3HB      PHE  55  -8.185   5.835  -2.828
  225    H    GLY  56           H        GLY  56  -8.307   4.495  -6.240
  226    HA2  GLY  56           2HA      GLY  56  -8.796   5.370  -8.387
  227    HA3  GLY  56           3HA      GLY  56  -9.063   6.962  -7.678
  228    HA   PRO  57           HA       PRO  57  -5.080   8.314  -8.644
  229    HB2  PRO  57           2HB      PRO  57  -4.541   9.040  -5.750
  230    HB3  PRO  57           3HB      PRO  57  -4.326  10.033  -7.229
  231    HG2  PRO  57           2HG      PRO  57  -6.532  10.392  -5.780
  232    HG3  PRO  57           3HG      PRO  57  -6.699  10.202  -7.550
  233    HD2  PRO  57           2HD      PRO  57  -7.027   8.079  -5.398
  234    HD3  PRO  57           3HD      PRO  57  -8.137   8.534  -6.726
  235    H    MET  58           H        MET  58  -4.792   5.379  -7.610
  236    HA   MET  58           HA       MET  58  -2.084   4.888  -6.666
  237    HB2  MET  58           2HB      MET  58  -2.208   2.856  -7.885
  238    HB3  MET  58           3HB      MET  58  -3.482   3.104  -6.696
  239    HG2  MET  58           2HG      MET  58  -5.094   3.625  -8.475
  240    HG3  MET  58           3HG      MET  58  -3.847   3.333  -9.694
  241    HE1  MET  58           3HE      MET  58  -3.391  -0.568  -7.968
  242    HE2  MET  58           1HE      MET  58  -2.351   0.663  -8.725
  243    HE3  MET  58           2HE      MET  58  -3.001   0.909  -7.079
  244    H    LYS  59           H        LYS  59  -0.485   5.983  -7.378
  245    HA   LYS  59           HA       LYS  59  -0.118   6.597 -10.282
  246    HB2  LYS  59           2HB      LYS  59  -0.990   8.387  -9.110
  247    HB3  LYS  59           3HB      LYS  59  -0.048   8.097  -7.669
  248    HG2  LYS  59           2HG      LYS  59   1.132   9.205 -10.227
  249    HG3  LYS  59           3HG      LYS  59   0.357  10.106  -8.939
  250    HD2  LYS  59           2HD      LYS  59   2.975   8.601  -8.667
  251    HD3  LYS  59           3HD      LYS  59   2.583  10.332  -8.615
  252    HE2  LYS  59           2HE      LYS  59   1.044   9.788  -6.710
  253    HE3  LYS  59           3HE      LYS  59   2.024   8.326  -6.485
  254    HZ1  LYS  59           3HZ      LYS  59   3.148  11.092  -6.580
  255    HZ2  LYS  59           1HZ      LYS  59   2.761  10.329  -5.181
  256    HZ3  LYS  59           2HZ      LYS  59   3.943   9.713  -6.156
  257    H    GLU  60           H        GLU  60   1.474   5.358  -7.421
  258    HA   GLU  60           HA       GLU  60   3.543   4.365  -9.248
  259    HB2  GLU  60           2HB      GLU  60   4.265   6.573  -7.767
  260    HB3  GLU  60           3HB      GLU  60   4.723   5.261  -6.670
  261    HG2  GLU  60           2HG      GLU  60   5.607   5.148  -9.551
  262    HG3  GLU  60           3HG      GLU  60   6.390   6.256  -8.434
  263    H    VAL  61           H        VAL  61   4.738   2.576  -8.482
  264    HA   VAL  61           HA       VAL  61   3.300   0.862  -6.580
  265    HB   VAL  61           HB       VAL  61   3.269   0.025  -9.522
  266   HG11  VAL  61          1HG1      VAL  61   1.614  -1.542  -8.842
  267   HG12  VAL  61          2HG1      VAL  61   2.886  -1.592  -7.601
  268   HG13  VAL  61          3HG1      VAL  61   1.368  -0.747  -7.282
  269   HG21  VAL  61          3HG2      VAL  61   1.914   2.012  -9.684
  270   HG22  VAL  61          1HG2      VAL  61   0.925   0.563  -9.820
  271   HG23  VAL  61          2HG2      VAL  61   0.913   1.490  -8.310
  272    H    LYS  62           H        LYS  62   5.429   0.952  -5.718
  273    HA   LYS  62           HA       LYS  62   7.625  -0.404  -7.141
  274    HB2  LYS  62           2HB      LYS  62   7.270  -0.165  -4.153
  275    HB3  LYS  62           3HB      LYS  62   8.762  -0.403  -5.018
  276    HG2  LYS  62           2HG      LYS  62   7.393   2.146  -5.739
  277    HG3  LYS  62           3HG      LYS  62   7.690   1.986  -4.043
  278    HD2  LYS  62           2HD      LYS  62   9.565   3.137  -5.052
  279    HD3  LYS  62           3HD      LYS  62  10.113   1.554  -4.506
  280    HE2  LYS  62           2HE      LYS  62  11.077   2.012  -6.662
  281    HE3  LYS  62           3HE      LYS  62   9.921   0.692  -6.856
  282    HZ1  LYS  62           3HZ      LYS  62   9.791   2.521  -8.577
  283    HZ2  LYS  62           1HZ      LYS  62   8.350   2.251  -7.838
  284    HZ3  LYS  62           2HZ      LYS  62   9.210   3.521  -7.407
  285    H    ILE  63           H        ILE  63   7.713  -2.568  -7.381
  286    HA   ILE  63           HA       ILE  63   6.315  -4.310  -5.438
  287    HB   ILE  63           HB       ILE  63   6.217  -4.856  -8.430
  288   HG12  ILE  63          2HG1      ILE  63   4.041  -3.790  -6.575
  289   HG13  ILE  63          3HG1      ILE  63   4.799  -2.931  -7.919
  290   HG21  ILE  63          1HG2      ILE  63   4.689  -6.689  -7.775
  291   HG22  ILE  63          2HG2      ILE  63   6.218  -6.877  -6.943
  292   HG23  ILE  63          3HG2      ILE  63   4.825  -6.214  -6.067
  293   HD11  ILE  63          3HD1      ILE  63   2.920  -5.284  -8.126
  294   HD12  ILE  63          1HD1      ILE  63   2.654  -3.623  -8.644
  295   HD13  ILE  63          2HD1      ILE  63   3.851  -4.614  -9.508
  296    H    LEU  64           H        LEU  64   7.454  -5.690  -4.602
  297    HA   LEU  64           HA       LEU  64  10.085  -6.583  -5.725
  298    HG   LEU  64           HG       LEU  64  11.335  -4.434  -4.399
  299    HB2  LEU  64           2HB      LEU  64   9.345  -6.080  -2.824
  300    HB3  LEU  64           3HB      LEU  64  10.891  -6.605  -3.417
  301   HD11  LEU  64          1HD1      LEU  64   8.545  -3.687  -3.669
  302   HD12  LEU  64          2HD1      LEU  64   9.825  -2.462  -3.518
  303   HD13  LEU  64          3HD1      LEU  64   9.539  -3.235  -5.072
  304   HD21  LEU  64          3HD2      LEU  64  12.022  -4.894  -2.146
  305   HD22  LEU  64          1HD2      LEU  64  11.568  -3.190  -2.301
  306   HD23  LEU  64          2HD2      LEU  64  10.460  -4.342  -1.518
  307    H    ASN  65           H        ASN  65  10.731  -8.623  -4.542
  308    HA   ASN  65           HA       ASN  65   9.852 -10.853  -5.222
  309    HB2  ASN  65           2HB      ASN  65  10.060 -11.161  -2.284
  310    HB3  ASN  65           3HB      ASN  65  10.994 -11.879  -3.571
  311   HD21  ASN  65          2HD2      ASN  65  12.702 -10.319  -4.609
  312   HD22  ASN  65          1HD2      ASN  65  13.344  -9.076  -3.535
  313    H    GLY  66           H        GLY  66   8.224 -10.071  -2.143
  314    HA2  GLY  66           2HA      GLY  66   5.556 -10.678  -3.295
  315    HA3  GLY  66           3HA      GLY  66   6.043 -11.480  -1.795
  316    H    PHE  67           H        PHE  67   6.730  -8.119  -2.828
  317    HA   PHE  67           HA       PHE  67   5.115  -7.012  -0.558
  318    HD1  PHE  67           HD1      PHE  67   9.113  -8.270  -1.312
  319    HD2  PHE  67           HD2      PHE  67   6.946  -6.959   2.171
  320    HE1  PHE  67           HE1      PHE  67  10.122 -10.110   0.027
  321    HE2  PHE  67           HE2      PHE  67   7.978  -8.766   3.509
  322    HZ   PHE  67           HZ       PHE  67   9.561 -10.363   2.432
  323    HB2  PHE  67           2HB      PHE  67   7.916  -6.072  -1.204
  324    HB3  PHE  67           3HB      PHE  67   6.926  -5.638   0.157
  325    H    ALA  68           H        ALA  68   4.363  -4.886  -0.886
  326    HA   ALA  68           HA       ALA  68   4.925  -3.522  -3.489
  327    HB1  ALA  68           1HB      ALA  68   3.087  -4.914  -3.942
  328    HB2  ALA  68           2HB      ALA  68   2.279  -4.474  -2.440
  329    HB3  ALA  68           3HB      ALA  68   2.499  -3.250  -3.723
  330    H    PHE  69           H        PHE  69   4.935  -1.465  -3.460
  331    HA   PHE  69           HA       PHE  69   4.142   0.074  -1.054
  332    HD1  PHE  69           HD2      PHE  69   7.085  -1.968  -2.645
  333    HD2  PHE  69           HD1      PHE  69   7.199   0.259   1.012
  334    HE1  PHE  69           HE2      PHE  69   8.315  -3.814  -1.572
  335    HE2  PHE  69           HE1      PHE  69   8.601  -1.531   2.051
  336    HZ   PHE  69           HZ       PHE  69   9.231  -3.565   0.672
  337    HB2  PHE  69           2HB      PHE  69   6.778   0.748  -2.335
  338    HB3  PHE  69           3HB      PHE  69   6.136   1.195  -0.790
  339    H    VAL  70           H        VAL  70   2.389   0.661  -2.138
  340    HA   VAL  70           HA       VAL  70   2.639   1.894  -4.789
  341    HB   VAL  70           HB       VAL  70   0.043   1.449  -3.261
  342   HG11  VAL  70          1HG1      VAL  70  -0.079   2.563  -5.606
  343   HG12  VAL  70          2HG1      VAL  70   0.712   1.048  -6.194
  344   HG13  VAL  70          3HG1      VAL  70  -0.877   0.961  -5.484
  345   HG21  VAL  70          3HG2      VAL  70   1.074  -0.688  -3.235
  346   HG22  VAL  70          1HG2      VAL  70  -0.030  -0.674  -4.616
  347   HG23  VAL  70          2HG2      VAL  70   1.703  -0.424  -4.926
  348    H    GLU  71           H        GLU  71   1.642   4.064  -5.222
  349    HA   GLU  71           HA       GLU  71   2.040   5.923  -2.902
  350    HB2  GLU  71           2HB      GLU  71   4.148   5.410  -4.393
  351    HB3  GLU  71           3HB      GLU  71   3.277   6.381  -5.600
  352    HG2  GLU  71           2HG      GLU  71   3.166   8.287  -4.018
  353    HG3  GLU  71           3HG      GLU  71   4.110   7.367  -2.875
  354    H    PHE  72           H        PHE  72   0.988   7.868  -3.119
  355    HA   PHE  72           HA       PHE  72  -0.715   8.320  -5.542
  356    HD1  PHE  72           HD2      PHE  72  -2.128   6.536  -5.294
  357    HD2  PHE  72           HD1      PHE  72  -2.418   7.579  -1.157
  358    HE1  PHE  72           HE2      PHE  72  -3.488   4.466  -4.867
  359    HE2  PHE  72           HE1      PHE  72  -3.829   5.575  -0.741
  360    HZ   PHE  72           HZ       PHE  72  -4.338   4.009  -2.587
  361    HB2  PHE  72           2HB      PHE  72  -1.254   8.975  -2.589
  362    HB3  PHE  72           3HB      PHE  72  -2.382   9.197  -3.910
  363    H    GLU  73           H        GLU  73  -1.452  10.262  -6.075
  364    HA   GLU  73           HA       GLU  73   0.473  12.461  -5.708
  365    HB2  GLU  73           2HB      GLU  73  -0.802  13.546  -7.531
  366    HB3  GLU  73           3HB      GLU  73  -0.053  12.007  -7.922
  367    HG2  GLU  73           2HG      GLU  73  -2.237  10.859  -7.693
  368    HG3  GLU  73           3HG      GLU  73  -3.003  12.389  -7.259
  369    H    GLU  74           H        GLU  74  -2.384  11.511  -4.184
  370    HA   GLU  74           HA       GLU  74  -2.585  14.161  -2.853
  371    HB2  GLU  74           2HB      GLU  74  -5.005  13.757  -2.468
  372    HB3  GLU  74           3HB      GLU  74  -4.572  14.191  -4.115
  373    HG2  GLU  74           2HG      GLU  74  -4.982  11.987  -4.926
  374    HG3  GLU  74           3HG      GLU  74  -5.036  11.305  -3.309
  375    H    ALA  75           H        ALA  75  -2.194  14.044  -0.741
  376    HA   ALA  75           HA       ALA  75  -1.908  11.587   0.706
  377    HB1  ALA  75           1HB      ALA  75  -1.764  13.067   2.672
  378    HB2  ALA  75           2HB      ALA  75  -0.774  13.686   1.339
  379    HB3  ALA  75           3HB      ALA  75  -2.349  14.439   1.704
  380    H    GLU  76           H        GLU  76  -4.728  13.435  -0.163
  381    HA   GLU  76           HA       GLU  76  -6.579  12.326   1.739
  382    HB2  GLU  76           2HB      GLU  76  -7.106  13.263  -1.093
  383    HB3  GLU  76           3HB      GLU  76  -8.306  13.037   0.165
  384    HG2  GLU  76           2HG      GLU  76  -6.084  15.122   0.089
  385    HG3  GLU  76           3HG      GLU  76  -7.804  15.400  -0.120
  386    H    SER  77           H        SER  77  -5.137  10.934  -1.221
  387    HA   SER  77           HA       SER  77  -7.005   8.659  -1.106
  388    HG   SER  77           HG       SER  77  -5.080   6.732  -2.769
  389    HB2  SER  77           2HB      SER  77  -6.033   9.261  -3.274
  390    HB3  SER  77           3HB      SER  77  -4.428   8.820  -2.700
  391    H    ALA  78           H        ALA  78  -3.809   9.452   0.160
  392    HA   ALA  78           HA       ALA  78  -3.368   6.797   1.194
  393    HB1  ALA  78           1HB      ALA  78  -2.378   9.465   2.241
  394    HB2  ALA  78           2HB      ALA  78  -1.675   7.848   2.540
  395    HB3  ALA  78           3HB      ALA  78  -1.686   8.543   0.899
  396    H    ALA  79           H        ALA  79  -4.821   9.744   2.726
  397    HA   ALA  79           HA       ALA  79  -5.855   8.641   5.078
  398    HB1  ALA  79           1HB      ALA  79  -7.467  10.443   5.015
  399    HB2  ALA  79           2HB      ALA  79  -5.883  11.027   4.466
  400    HB3  ALA  79           3HB      ALA  79  -7.172  10.702   3.287
  401    H    LYS  80           H        LYS  80  -7.622   8.710   1.885
  402    HA   LYS  80           HA       LYS  80  -9.716   7.160   3.022
  403    HB2  LYS  80           2HB      LYS  80 -10.833   7.340   1.037
  404    HB3  LYS  80           3HB      LYS  80  -9.691   8.666   0.842
  405    HG2  LYS  80           2HG      LYS  80  -8.308   6.983  -0.559
  406    HG3  LYS  80           3HG      LYS  80  -9.701   5.926  -0.438
  407    HD2  LYS  80           2HD      LYS  80 -10.422   7.036  -2.325
  408    HD3  LYS  80           3HD      LYS  80 -10.961   8.270  -1.211
  409    HE2  LYS  80           2HE      LYS  80  -8.850   9.499  -1.498
  410    HE3  LYS  80           3HE      LYS  80  -8.215   8.200  -2.528
  411    HZ1  LYS  80           3HZ      LYS  80  -9.789   8.743  -4.212
  412    HZ2  LYS  80           1HZ      LYS  80 -10.541   9.866  -3.268
  413    HZ3  LYS  80           2HZ      LYS  80  -8.997  10.126  -3.750
  414    H    ALA  81           H        ALA  81  -6.896   6.102   1.143
  415    HA   ALA  81           HA       ALA  81  -7.706   3.397   0.944
  416    HB1  ALA  81           1HB      ALA  81  -4.841   4.453   1.073
  417    HB2  ALA  81           2HB      ALA  81  -5.342   2.887   0.419
  418    HB3  ALA  81           3HB      ALA  81  -5.844   4.370  -0.382
  419    H    ILE  82           H        ILE  82  -5.883   5.149   3.505
  420    HA   ILE  82           HA       ILE  82  -5.388   3.013   5.224
  421    HB   ILE  82           HB       ILE  82  -6.042   5.871   5.928
  422   HG12  ILE  82          2HG1      ILE  82  -3.306   4.689   6.311
  423   HG13  ILE  82          3HG1      ILE  82  -3.775   5.049   4.662
  424   HG21  ILE  82          1HG2      ILE  82  -4.963   3.697   7.766
  425   HG22  ILE  82          2HG2      ILE  82  -5.002   5.425   8.154
  426   HG23  ILE  82          3HG2      ILE  82  -6.511   4.558   7.930
  427   HD11  ILE  82          3HD1      ILE  82  -3.751   6.999   7.012
  428   HD12  ILE  82          1HD1      ILE  82  -2.676   7.003   5.577
  429   HD13  ILE  82          2HD1      ILE  82  -4.408   7.344   5.409
  430    H    GLU  83           H        GLU  83  -8.215   5.251   5.356
  431    HA   GLU  83           HA       GLU  83  -9.599   3.742   7.343
  432    HB2  GLU  83           2HB      GLU  83 -10.607   5.682   5.246
  433    HB3  GLU  83           3HB      GLU  83 -11.593   5.054   6.575
  434    HG2  GLU  83           2HG      GLU  83  -9.011   6.665   6.906
  435    HG3  GLU  83           3HG      GLU  83 -10.647   7.293   7.038
  436    H    GLU  84           H        GLU  84  -9.511   3.312   3.859
  437    HA   GLU  84           HA       GLU  84 -11.864   1.611   3.624
  438    HB2  GLU  84           2HB      GLU  84  -9.494   2.213   1.818
  439    HB3  GLU  84           3HB      GLU  84 -10.770   1.109   1.350
  440    HG2  GLU  84           2HG      GLU  84 -11.506   3.911   2.161
  441    HG3  GLU  84           3HG      GLU  84 -10.790   3.641   0.569
  442    H    VAL  85           H        VAL  85  -8.326   0.977   3.777
  443    HA   VAL  85           HA       VAL  85  -8.863  -1.937   4.093
  444    HB   VAL  85           HB       VAL  85  -8.975  -1.301   1.752
  445   HG11  VAL  85          1HG1      VAL  85  -6.091  -0.517   2.042
  446   HG12  VAL  85          2HG1      VAL  85  -6.844  -0.913   0.496
  447   HG13  VAL  85          3HG1      VAL  85  -7.455   0.442   1.457
  448   HG21  VAL  85          3HG2      VAL  85  -8.474  -3.586   2.393
  449   HG22  VAL  85          1HG2      VAL  85  -7.728  -3.133   0.854
  450   HG23  VAL  85          2HG2      VAL  85  -6.744  -3.222   2.321
  451    H    HIS  86           H        HIS  86  -7.023   0.561   5.371
  452    HA   HIS  86           HA       HIS  86  -4.591  -0.966   5.940
  453    HD1  HIS  86           HD1      HIS  86  -2.316   1.801   6.770
  454    HD2  HIS  86           HD2      HIS  86  -4.532  -0.192   9.725
  455    HE1  HIS  86           HE1      HIS  86  -0.697   1.362   8.705
  456    HB2  HIS  86           2HB      HIS  86  -4.758   1.482   6.180
  457    HB3  HIS  86           3HB      HIS  86  -5.817   1.282   7.576
  458    H    GLY  87           H        GLY  87  -4.482  -2.720   7.189
  459    HA2  GLY  87           2HA      GLY  87  -4.365  -3.729   9.332
  460    HA3  GLY  87           3HA      GLY  87  -5.659  -2.699   9.921
  461    H    LYS  88           H        LYS  88  -6.844  -3.487   7.123
  462    HA   LYS  88           HA       LYS  88  -8.532  -5.750   7.828
  463    HB2  LYS  88           2HB      LYS  88  -8.128  -3.803   5.560
  464    HB3  LYS  88           3HB      LYS  88  -8.897  -5.287   5.205
  465    HG2  LYS  88           2HG      LYS  88 -10.660  -3.746   5.700
  466    HG3  LYS  88           3HG      LYS  88 -10.559  -4.818   7.083
  467    HD2  LYS  88           2HD      LYS  88 -10.814  -2.781   8.136
  468    HD3  LYS  88           3HD      LYS  88  -9.053  -2.872   8.121
  469    HE2  LYS  88           2HE      LYS  88  -9.092  -1.541   5.976
  470    HE3  LYS  88           3HE      LYS  88 -10.839  -1.368   6.158
  471    HZ1  LYS  88           3HZ      LYS  88 -10.329  -0.276   8.344
  472    HZ2  LYS  88           1HZ      LYS  88  -8.729  -0.318   7.966
  473    HZ3  LYS  88           2HZ      LYS  88  -9.786   0.565   7.053
  474    H    SER  89           H        SER  89  -8.352  -7.710   7.108
  475    HA   SER  89           HA       SER  89  -5.641  -8.658   6.539
  476    HG   SER  89           HG       SER  89  -8.788 -10.427   6.474
  477    HB2  SER  89           2HB      SER  89  -6.578 -10.882   7.093
  478    HB3  SER  89           3HB      SER  89  -6.785  -9.660   8.355
  479    H    PHE  90           H        PHE  90  -4.982  -8.625   4.431
  480    HA   PHE  90           HA       PHE  90  -6.801  -9.812   2.338
  481    HD1  PHE  90           HD1      PHE  90  -3.924  -9.860   0.004
  482    HD2  PHE  90           HD2      PHE  90  -7.414  -7.378   0.464
  483    HE1  PHE  90           HE1      PHE  90  -4.583 -10.359  -2.348
  484    HE2  PHE  90           HE2      PHE  90  -8.062  -7.854  -1.892
  485    HZ   PHE  90           HZ       PHE  90  -6.680  -9.391  -3.258
  486    HB2  PHE  90           2HB      PHE  90  -5.786  -7.483   2.169
  487    HB3  PHE  90           3HB      PHE  90  -4.238  -8.291   2.020
  488    H    ALA  91           H        ALA  91  -6.042 -11.568   1.126
  489    HA   ALA  91           HA       ALA  91  -5.133 -13.591   0.752
  490    HB1  ALA  91           1HB      ALA  91  -3.125 -12.217   0.182
  491    HB2  ALA  91           2HB      ALA  91  -2.513 -12.450   1.839
  492    HB3  ALA  91           3HB      ALA  91  -2.723 -13.844   0.768
  493    H    ASN  92           H        ASN  92  -3.530 -12.658   3.742
  494    HA   ASN  92           HA       ASN  92  -4.816 -14.586   5.462
  495    HB2  ASN  92           2HB      ASN  92  -2.885 -15.987   5.962
  496    HB3  ASN  92           3HB      ASN  92  -3.286 -16.113   4.262
  497   HD21  ASN  92          1HD2      ASN  92  -1.911 -14.327   2.881
  498   HD22  ASN  92          2HD2      ASN  92  -0.216 -14.227   3.333
  499    H    GLN  93           H        GLN  93  -3.319 -11.590   5.106
  500    HA   GLN  93           HA       GLN  93  -2.839 -11.188   7.971
  501    HB2  GLN  93           2HB      GLN  93  -0.465 -10.202   6.658
  502    HB3  GLN  93           3HB      GLN  93  -0.622 -11.267   8.044
  503    HG2  GLN  93           2HG      GLN  93  -0.761 -13.215   6.507
  504    HG3  GLN  93           3HG      GLN  93  -0.558 -12.176   5.135
  505   HE21  GLN  93          2HE2      GLN  93   1.095 -14.359   5.696
  506   HE22  GLN  93          1HE2      GLN  93   2.719 -13.711   5.944
  507    HA   PRO  94           HA       PRO  94  -4.063  -7.229   6.709
  508    HB2  PRO  94           2HB      PRO  94  -3.222  -5.548   8.734
  509    HB3  PRO  94           3HB      PRO  94  -4.422  -6.852   9.006
  510    HG2  PRO  94           2HG      PRO  94  -1.418  -6.976   9.459
  511    HG3  PRO  94           3HG      PRO  94  -2.731  -7.372  10.618
  512    HD2  PRO  94           2HD      PRO  94  -1.466  -9.261   9.106
  513    HD3  PRO  94           3HD      PRO  94  -3.227  -9.371   9.436
  514    H    LEU  95           H        LEU  95  -3.707  -5.179   6.151
  515    HA   LEU  95           HA       LEU  95  -1.265  -4.647   4.598
  516    HG   LEU  95           HG       LEU  95  -2.556  -4.496   2.232
  517    HB2  LEU  95           2HB      LEU  95  -4.221  -4.026   4.657
  518    HB3  LEU  95           3HB      LEU  95  -3.202  -2.932   3.801
  519   HD11  LEU  95          1HD1      LEU  95  -2.735  -6.692   2.081
  520   HD12  LEU  95          2HD1      LEU  95  -1.892  -6.343   3.565
  521   HD13  LEU  95          3HD1      LEU  95  -3.601  -6.837   3.675
  522   HD21  LEU  95          3HD2      LEU  95  -4.782  -3.898   1.743
  523   HD22  LEU  95          1HD2      LEU  95  -4.536  -5.609   1.340
  524   HD23  LEU  95          2HD2      LEU  95  -5.402  -5.183   2.833
  525    H    GLU  96           H        GLU  96   0.047  -2.996   4.847
  526    HA   GLU  96           HA       GLU  96  -0.501  -1.022   7.028
  527    HB2  GLU  96           2HB      GLU  96   1.538  -2.598   7.138
  528    HB3  GLU  96           3HB      GLU  96   2.272  -1.538   5.939
  529    HG2  GLU  96           2HG      GLU  96   1.615   0.409   7.503
  530    HG3  GLU  96           3HG      GLU  96   1.375  -0.829   8.735
  531    H    VAL  97           H        VAL  97  -1.897  -0.571   5.065
  532    HA   VAL  97           HA       VAL  97  -0.964   0.957   2.811
  533    HB   VAL  97           HB       VAL  97  -3.595   0.775   4.331
  534   HG11  VAL  97          1HG1      VAL  97  -3.211   2.053   1.597
  535   HG12  VAL  97          2HG1      VAL  97  -4.758   1.612   2.311
  536   HG13  VAL  97          3HG1      VAL  97  -3.765   2.859   3.092
  537   HG21  VAL  97          3HG2      VAL  97  -3.197  -0.331   1.522
  538   HG22  VAL  97          1HG2      VAL  97  -2.495  -1.188   2.883
  539   HG23  VAL  97          2HG2      VAL  97  -4.224  -0.932   2.859
  540    H    VAL  98           H        VAL  98   0.298   2.778   3.378
  541    HA   VAL  98           HA       VAL  98  -1.002   4.710   5.245
  542    HB   VAL  98           HB       VAL  98   0.133   2.558   6.310
  543   HG11  VAL  98          1HG1      VAL  98   2.408   2.779   5.487
  544   HG12  VAL  98          2HG1      VAL  98   2.626   4.145   6.652
  545   HG13  VAL  98          3HG1      VAL  98   2.182   2.566   7.214
  546   HG21  VAL  98          3HG2      VAL  98   0.057   5.258   7.519
  547   HG22  VAL  98          1HG2      VAL  98  -1.202   3.976   7.393
  548   HG23  VAL  98          2HG2      VAL  98   0.247   3.703   8.381
  549    H    TYR  99           H        TYR  99   1.972   5.376   5.824
  550    HA   TYR  99           HA       TYR  99   2.557   7.032   3.403
  551    HD1  TYR  99           HD1      TYR  99   0.693   8.186   3.958
  552    HD2  TYR  99           HD2      TYR  99   2.717   9.159   7.650
  553    HE1  TYR  99           HE1      TYR  99  -1.226   9.554   4.636
  554    HE2  TYR  99           HE2      TYR  99   0.771  10.554   8.323
  555    HH   TYR  99           HH       TYR  99  -2.126  10.930   6.247
  556    HB2  TYR  99           2HB      TYR  99   3.524   7.324   6.250
  557    HB3  TYR  99           3HB      TYR  99   3.806   8.444   4.924
  558    H    SER 100           H        SER 100   2.980   4.152   3.923
  559    HA   SER 100           HA       SER 100   4.279   2.527   4.170
  560    HG   SER 100           HG       SER 100   6.856   2.112   2.925
  561    HB2  SER 100           2HB      SER 100   4.290   2.629   1.934
  562    HB3  SER 100           3HB      SER 100   5.435   3.944   1.989
  563    H    LYS 101           H        LYS 101   5.327   4.702   6.021
  564    HA   LYS 101           HA       LYS 101   7.111   2.791   7.275
  565    HB2  LYS 101           2HB      LYS 101   8.667   4.068   5.805
  566    HB3  LYS 101           3HB      LYS 101   8.260   5.557   6.630
  567    HG2  LYS 101           2HG      LYS 101   9.214   3.207   8.273
  568    HG3  LYS 101           3HG      LYS 101  10.395   4.024   7.255
  569    HD2  LYS 101           2HD      LYS 101  10.288   6.036   8.406
  570    HD3  LYS 101           3HD      LYS 101   8.644   5.747   8.966
  571    HE2  LYS 101           2HE      LYS 101   9.583   3.844  10.397
  572    HE3  LYS 101           3HE      LYS 101  11.193   4.490  10.045
  573    HZ1  LYS 101           3HZ      LYS 101  10.033   5.365  12.129
  574    HZ2  LYS 101           1HZ      LYS 101  10.572   6.539  11.109
  575    HZ3  LYS 101           2HZ      LYS 101   8.980   6.129  11.159
  576    H    LEU 102           H        LEU 102   7.336   3.132   9.513
  577    HA   LEU 102           HA       LEU 102   4.941   3.892  10.753
  578    HG   LEU 102           HG       LEU 102   5.037   1.801  12.103
  579    HB2  LEU 102           2HB      LEU 102   7.720   3.243  11.816
  580    HB3  LEU 102           3HB      LEU 102   6.419   3.689  12.897
  581   HD11  LEU 102          1HD1      LEU 102   6.155  -0.068  10.878
  582   HD12  LEU 102          2HD1      LEU 102   5.919   1.349   9.870
  583   HD13  LEU 102          3HD1      LEU 102   7.536   0.996  10.543
  584   HD21  LEU 102          3HD2      LEU 102   6.491   1.605  14.094
  585   HD22  LEU 102          1HD2      LEU 102   6.337   0.059  13.245
  586   HD23  LEU 102          2HD2      LEU 102   7.821   1.023  13.072
  587    HA   PRO 103           HA       PRO 103   5.268   8.226  11.524
  588    HB2  PRO 103           2HB      PRO 103   3.714   8.620  13.742
  589    HB3  PRO 103           3HB      PRO 103   3.060   8.121  12.153
  590    HG2  PRO 103           2HG      PRO 103   3.785   6.337  14.502
  591    HG3  PRO 103           3HG      PRO 103   2.249   6.369  13.574
  592    HD2  PRO 103           2HD      PRO 103   4.203   4.579  13.006
  593    HD3  PRO 103           3HD      PRO 103   3.258   5.344  11.694
  594    H    ALA 104           H        ALA 104   6.866   6.086  13.588
  595    HA   ALA 104           HA       ALA 104   8.600   8.249  14.630
  596    HB1  ALA 104           1HB      ALA 104   7.563   5.903  16.281
  597    HB2  ALA 104           2HB      ALA 104   8.807   7.063  16.791
  598    HB3  ALA 104           3HB      ALA 104   7.144   7.620  16.514
  Start of MODEL   20
    1    H    GLU  28           H        GLU  28   5.979  14.539  12.351
    2    HA   GLU  28           HA       GLU  28   7.334  12.649  11.708
    3    HB2  GLU  28           2HB      GLU  28   6.535  12.917  14.049
    4    HB3  GLU  28           3HB      GLU  28   5.127  11.928  13.679
    5    HG2  GLU  28           2HG      GLU  28   6.821  10.651  14.883
    6    HG3  GLU  28           3HG      GLU  28   6.565   9.971  13.287
    7    H    LEU  29           H        LEU  29   7.480  10.490  11.005
    8    HA   LEU  29           HA       LEU  29   7.232   8.924   9.440
    9    HG   LEU  29           HG       LEU  29   4.620   6.491  10.314
   10    HB2  LEU  29           2HB      LEU  29   4.802   8.822  10.963
   11    HB3  LEU  29           3HB      LEU  29   4.359   8.605   9.311
   12   HD11  LEU  29          1HD1      LEU  29   6.032   5.280   8.934
   13   HD12  LEU  29          2HD1      LEU  29   5.772   6.730   7.998
   14   HD13  LEU  29          3HD1      LEU  29   7.285   6.550   8.878
   15   HD21  LEU  29          3HD2      LEU  29   6.661   5.701  11.404
   16   HD22  LEU  29          1HD2      LEU  29   7.427   7.285  11.138
   17   HD23  LEU  29          2HD2      LEU  29   6.016   7.144  12.214
   18    H    SER  30           H        SER  30   6.142   8.274   7.343
   19    HA   SER  30           HA       SER  30   6.601  10.195   5.381
   20    HG   SER  30           HG       SER  30   6.729   6.609   5.434
   21    HB2  SER  30           2HB      SER  30   4.960   7.655   5.215
   22    HB3  SER  30           3HB      SER  30   5.771   8.460   3.849
   23    H    ASN  31           H        ASN  31   3.554   9.614   7.000
   24    HA   ASN  31           HA       ASN  31   1.419  10.232   6.738
   25    HB2  ASN  31           2HB      ASN  31   1.959  12.364   4.737
   26    HB3  ASN  31           3HB      ASN  31   0.781  12.301   6.017
   27   HD21  ASN  31          2HD2      ASN  31   4.084  13.074   5.200
   28   HD22  ASN  31          1HD2      ASN  31   4.392  13.989   6.672
   29    H    THR  32           H        THR  32   3.033   9.216   3.831
   30    HA   THR  32           HA       THR  32   0.421   8.934   2.426
   31    HB   THR  32           HB       THR  32   1.404   9.727   0.434
   32    HG1  THR  32           1HG      THR  32   3.482  10.069   0.173
   33   HG21  THR  32          1HG2      THR  32   0.786  11.488   2.177
   34   HG22  THR  32          2HG2      THR  32   2.532  11.647   2.479
   35   HG23  THR  32          3HG2      THR  32   1.871  11.983   0.866
   36    H    ARG  33           H        ARG  33   1.821   6.473   3.649
   37    HA   ARG  33           HA       ARG  33   2.512   5.126   1.067
   38    HE   ARG  33           HE       ARG  33   7.153   6.624   0.092
   39    HB2  ARG  33           2HB      ARG  33   4.400   5.234   3.419
   40    HB3  ARG  33           3HB      ARG  33   4.396   4.001   2.157
   41    HG2  ARG  33           2HG      ARG  33   5.169   5.088   0.574
   42    HG3  ARG  33           3HG      ARG  33   4.717   6.720   1.212
   43    HD2  ARG  33           2HD      ARG  33   6.569   6.709   2.706
   44    HD3  ARG  33           3HD      ARG  33   6.810   4.966   2.527
   45   HH11  ARG  33          1HH1      ARG  33   8.965   4.874   2.581
   46   HH12  ARG  33          2HH1      ARG  33  10.214   4.499   1.397
   47   HH21  ARG  33          1HH2      ARG  33   8.787   6.325  -1.100
   48   HH22  ARG  33          2HH2      ARG  33  10.284   5.567  -0.504
   49    H    LEU  34           H        LEU  34   2.131   3.121   0.834
   50    HA   LEU  34           HA       LEU  34   0.632   1.825   3.050
   51    HG   LEU  34           HG       LEU  34  -1.811   2.789   0.386
   52    HB2  LEU  34           2HB      LEU  34   0.277   1.263   0.171
   53    HB3  LEU  34           3HB      LEU  34  -0.853   0.983   1.455
   54   HD11  LEU  34          1HD1      LEU  34  -1.257   3.366   2.880
   55   HD12  LEU  34          2HD1      LEU  34  -0.292   4.658   2.174
   56   HD13  LEU  34          3HD1      LEU  34  -1.999   4.545   1.813
   57   HD21  LEU  34          3HD2      LEU  34   0.117   4.834  -0.035
   58   HD22  LEU  34          1HD2      LEU  34   0.825   3.313  -0.567
   59   HD23  LEU  34          2HD2      LEU  34  -0.716   3.813  -1.226
   60    H    PHE  35           H        PHE  35   1.402   0.112   4.004
   61    HA   PHE  35           HA       PHE  35   3.771  -1.296   2.883
   62    HD1  PHE  35           HD1      PHE  35   4.608  -3.387   3.798
   63    HD2  PHE  35           HD2      PHE  35   4.955  -0.913   7.330
   64    HE1  PHE  35           HE1      PHE  35   6.398  -4.837   4.647
   65    HE2  PHE  35           HE2      PHE  35   6.741  -2.406   8.183
   66    HZ   PHE  35           HZ       PHE  35   7.473  -4.369   6.839
   67    HB2  PHE  35           2HB      PHE  35   4.086  -0.066   5.012
   68    HB3  PHE  35           3HB      PHE  35   2.838  -0.838   5.717
   69    H    VAL  36           H        VAL  36   2.993  -2.835   1.794
   70    HA   VAL  36           HA       VAL  36   0.528  -4.340   2.593
   71    HB   VAL  36           HB       VAL  36   1.543  -2.859   0.175
   72   HG11  VAL  36          1HG1      VAL  36   0.730  -4.643  -0.968
   73   HG12  VAL  36          2HG1      VAL  36  -0.818  -4.611  -0.009
   74   HG13  VAL  36          3HG1      VAL  36  -0.339  -3.277  -1.097
   75   HG21  VAL  36          3HG2      VAL  36   0.110  -1.664   1.941
   76   HG22  VAL  36          1HG2      VAL  36  -0.744  -1.748   0.425
   77   HG23  VAL  36          2HG2      VAL  36  -1.144  -2.900   1.703
   78    H    ARG  37           H        ARG  37   1.305  -6.167   3.282
   79    HA   ARG  37           HA       ARG  37   3.378  -7.659   1.716
   80    HE   ARG  37           HE       ARG  37   3.221  -7.690   8.055
   81    HB2  ARG  37           2HB      ARG  37   4.520  -8.085   3.851
   82    HB3  ARG  37           3HB      ARG  37   4.428  -6.367   3.452
   83    HG2  ARG  37           2HG      ARG  37   2.807  -5.924   5.119
   84    HG3  ARG  37           3HG      ARG  37   2.382  -7.628   5.295
   85    HD2  ARG  37           2HD      ARG  37   4.627  -8.096   6.248
   86    HD3  ARG  37           3HD      ARG  37   5.035  -6.384   6.129
   87   HH11  ARG  37          1HH1      ARG  37   4.292  -4.521   6.857
   88   HH12  ARG  37          2HH1      ARG  37   3.461  -3.736   8.203
   89   HH21  ARG  37          2HH2      ARG  37   2.264  -6.445   9.711
   90   HH22  ARG  37          1HH2      ARG  37   2.481  -4.692   9.631
   91    HA   PRO  38           HA       PRO  38   0.518 -10.959   4.056
   92    HB2  PRO  38           2HB      PRO  38  -1.422 -10.374   1.775
   93    HB3  PRO  38           3HB      PRO  38  -1.760 -11.179   3.321
   94    HG2  PRO  38           2HG      PRO  38  -2.370  -8.632   3.048
   95    HG3  PRO  38           3HG      PRO  38  -1.465  -9.109   4.519
   96    HD2  PRO  38           2HD      PRO  38  -0.364  -7.830   2.009
   97    HD3  PRO  38           3HD      PRO  38  -0.006  -7.478   3.739
   98    H    PHE  39           H        PHE  39   0.912 -10.130   0.673
   99    HA   PHE  39           HA       PHE  39   0.526 -12.710  -0.405
  100    HD1  PHE  39           HD1      PHE  39   2.051  -8.652  -0.645
  101    HD2  PHE  39           HD2      PHE  39  -1.617 -10.477  -2.074
  102    HE1  PHE  39           HE1      PHE  39   0.853  -6.584  -0.294
  103    HE2  PHE  39           HE2      PHE  39  -2.752  -8.283  -1.880
  104    HZ   PHE  39           HZ       PHE  39  -1.564  -6.349  -0.969
  105    HB2  PHE  39           2HB      PHE  39   2.048 -10.749  -2.026
  106    HB3  PHE  39           3HB      PHE  39   0.564 -11.604  -2.406
  107    HA   PRO  40           HA       PRO  40   4.836 -13.932  -0.870
  108    HB2  PRO  40           2HB      PRO  40   4.619 -15.886  -2.839
  109    HB3  PRO  40           3HB      PRO  40   3.947 -16.119  -1.212
  110    HG2  PRO  40           2HG      PRO  40   2.497 -15.124  -3.688
  111    HG3  PRO  40           3HG      PRO  40   2.006 -16.453  -2.587
  112    HD2  PRO  40           2HD      PRO  40   1.047 -13.901  -2.361
  113    HD3  PRO  40           3HD      PRO  40   1.324 -14.936  -0.930
  114    H    LEU  41           H        LEU  41   6.158 -14.560  -3.176
  115    HA   LEU  41           HA       LEU  41   7.042 -12.265  -4.405
  116    HG   LEU  41           HG       LEU  41   9.142 -15.379  -5.229
  117    HB2  LEU  41           2HB      LEU  41   6.756 -14.973  -5.787
  118    HB3  LEU  41           3HB      LEU  41   7.879 -13.698  -6.186
  119   HD11  LEU  41          1HD1      LEU  41  10.157 -14.373  -3.271
  120   HD12  LEU  41          2HD1      LEU  41   9.699 -13.104  -4.421
  121   HD13  LEU  41          3HD1      LEU  41   8.697 -13.409  -2.978
  122   HD21  LEU  41          3HD2      LEU  41   7.252 -16.587  -4.048
  123   HD22  LEU  41          1HD2      LEU  41   8.819 -16.551  -3.222
  124   HD23  LEU  41          2HD2      LEU  41   7.531 -15.490  -2.663
  125    H    ASP  42           H        ASP  42   4.144 -14.021  -5.201
  126    HA   ASP  42           HA       ASP  42   3.721 -13.301  -7.876
  127    HB2  ASP  42           2HB      ASP  42   1.750 -14.049  -5.691
  128    HB3  ASP  42           3HB      ASP  42   1.374 -14.001  -7.405
  129    H    VAL  43           H        VAL  43   3.129 -11.196  -5.069
  130    HA   VAL  43           HA       VAL  43   1.188  -9.511  -6.445
  131    HB   VAL  43           HB       VAL  43   1.343  -9.545  -4.019
  132   HG11  VAL  43          1HG1      VAL  43   3.019  -8.314  -2.775
  133   HG12  VAL  43          2HG1      VAL  43   3.831  -9.560  -3.726
  134   HG13  VAL  43          3HG1      VAL  43   3.873  -7.861  -4.251
  135   HG21  VAL  43          3HG2      VAL  43   0.253  -7.660  -5.161
  136   HG22  VAL  43          1HG2      VAL  43   1.003  -7.157  -3.651
  137   HG23  VAL  43          2HG2      VAL  43   1.786  -6.765  -5.191
  138    H    GLN  44           H        GLN  44   1.445  -7.788  -7.733
  139    HA   GLN  44           HA       GLN  44   4.091  -6.572  -8.189
  140    HB2  GLN  44           2HB      GLN  44   2.474  -7.123 -10.655
  141    HB3  GLN  44           3HB      GLN  44   4.182  -6.797 -10.492
  142    HG2  GLN  44           2HG      GLN  44   2.769  -9.428  -9.954
  143    HG3  GLN  44           3HG      GLN  44   3.732  -9.025 -11.357
  144   HE21  GLN  44          2HE2      GLN  44   3.876 -10.986  -8.958
  145   HE22  GLN  44          1HE2      GLN  44   5.530 -10.856  -8.398
  146    H    GLU  45           H        GLU  45   3.648  -4.657  -9.880
  147    HA   GLU  45           HA       GLU  45   1.823  -2.842  -8.708
  148    HB2  GLU  45           2HB      GLU  45   2.442  -1.331 -10.347
  149    HB3  GLU  45           3HB      GLU  45   3.869  -2.335 -10.125
  150    HG2  GLU  45           2HG      GLU  45   1.816  -2.479 -12.361
  151    HG3  GLU  45           3HG      GLU  45   3.452  -1.836 -12.482
  152    H    SER  46           H        SER  46   1.110  -5.295 -11.104
  153    HA   SER  46           HA       SER  46  -1.395  -4.165 -12.022
  154    HG   SER  46           HG       SER  46   0.797  -5.402 -13.423
  155    HB2  SER  46           2HB      SER  46  -0.241  -6.971 -12.089
  156    HB3  SER  46           3HB      SER  46  -1.780  -6.507 -12.839
  157    H    GLU  47           H        GLU  47  -0.481  -6.087  -9.161
  158    HA   GLU  47           HA       GLU  47  -3.216  -7.025  -8.570
  159    HB2  GLU  47           2HB      GLU  47  -0.381  -7.365  -7.478
  160    HB3  GLU  47           3HB      GLU  47  -1.771  -7.825  -6.559
  161    HG2  GLU  47           2HG      GLU  47  -0.867  -9.750  -7.685
  162    HG3  GLU  47           3HG      GLU  47  -2.486  -9.401  -8.297
  163    H    LEU  48           H        LEU  48  -0.635  -4.767  -7.569
  164    HA   LEU  48           HA       LEU  48  -2.156  -3.447  -5.505
  165    HG   LEU  48           HG       LEU  48   0.765  -4.523  -5.868
  166    HB2  LEU  48           2HB      LEU  48   0.100  -2.436  -7.267
  167    HB3  LEU  48           3HB      LEU  48  -0.462  -1.730  -5.833
  168   HD11  LEU  48          1HD1      LEU  48   2.309  -2.764  -6.657
  169   HD12  LEU  48          2HD1      LEU  48   2.047  -1.873  -5.153
  170   HD13  LEU  48          3HD1      LEU  48   2.812  -3.465  -5.106
  171   HD21  LEU  48          3HD2      LEU  48   0.463  -2.490  -3.656
  172   HD22  LEU  48          1HD2      LEU  48  -0.478  -4.025  -3.806
  173   HD23  LEU  48          2HD2      LEU  48   1.284  -4.088  -3.565
  174    H    ASN  49           H        ASN  49  -1.889  -3.056  -9.101
  175    HA   ASN  49           HA       ASN  49  -3.710  -0.804  -9.205
  176    HB2  ASN  49           2HB      ASN  49  -2.702  -2.744 -11.219
  177    HB3  ASN  49           3HB      ASN  49  -4.281  -2.071 -11.559
  178   HD21  ASN  49          2HD2      ASN  49  -0.901  -1.194 -10.921
  179   HD22  ASN  49          1HD2      ASN  49  -1.022   0.384 -11.711
  180    H    GLU  50           H        GLU  50  -4.512  -4.349  -9.180
  181    HA   GLU  50           HA       GLU  50  -7.272  -4.062  -9.273
  182    HB2  GLU  50           2HB      GLU  50  -5.473  -6.114  -9.101
  183    HB3  GLU  50           3HB      GLU  50  -6.064  -6.104  -7.429
  184    HG2  GLU  50           2HG      GLU  50  -8.392  -6.009  -8.426
  185    HG3  GLU  50           3HG      GLU  50  -7.662  -6.345  -9.994
  186    H    ILE  51           H        ILE  51  -5.134  -3.803  -6.436
  187    HA   ILE  51           HA       ILE  51  -7.339  -3.471  -4.521
  188    HB   ILE  51           HB       ILE  51  -4.346  -3.360  -4.438
  189   HG12  ILE  51          2HG1      ILE  51  -6.227  -5.390  -3.161
  190   HG13  ILE  51          3HG1      ILE  51  -5.539  -5.581  -4.770
  191   HG21  ILE  51          1HG2      ILE  51  -4.472  -3.349  -1.910
  192   HG22  ILE  51          2HG2      ILE  51  -5.072  -1.854  -2.604
  193   HG23  ILE  51          3HG2      ILE  51  -6.225  -3.079  -2.048
  194   HD11  ILE  51          3HD1      ILE  51  -3.230  -5.461  -3.772
  195   HD12  ILE  51          1HD1      ILE  51  -3.991  -5.531  -2.159
  196   HD13  ILE  51          2HD1      ILE  51  -4.195  -6.869  -3.293
  197    H    PHE  52           H        PHE  52  -4.903  -1.282  -5.899
  198    HA   PHE  52           HA       PHE  52  -5.637   0.981  -4.194
  199    HD1  PHE  52           HD2      PHE  52  -3.135  -1.606  -4.526
  200    HD2  PHE  52           HD1      PHE  52  -2.956   2.420  -3.025
  201    HE1  PHE  52           HE2      PHE  52  -1.680  -2.381  -2.722
  202    HE2  PHE  52           HE1      PHE  52  -1.348   1.658  -1.335
  203    HZ   PHE  52           HZ       PHE  52  -0.582  -0.699  -1.278
  204    HB2  PHE  52           2HB      PHE  52  -3.367   0.530  -6.047
  205    HB3  PHE  52           3HB      PHE  52  -3.685   2.043  -5.234
  206    H    GLY  53           H        GLY  53  -6.008  -0.056  -7.533
  207    HA2  GLY  53           2HA      GLY  53  -6.426   2.253  -9.040
  208    HA3  GLY  53           3HA      GLY  53  -7.291   0.729  -9.235
  209    HA   PRO  54           HA       PRO  54 -11.008   2.518  -7.375
  210    HB2  PRO  54           2HB      PRO  54 -10.549   1.749  -4.506
  211    HB3  PRO  54           3HB      PRO  54 -11.985   1.463  -5.533
  212    HG2  PRO  54           2HG      PRO  54 -10.284  -0.566  -4.965
  213    HG3  PRO  54           3HG      PRO  54 -10.898  -0.372  -6.645
  214    HD2  PRO  54           2HD      PRO  54  -8.320   0.685  -5.467
  215    HD3  PRO  54           3HD      PRO  54  -8.476  -0.361  -6.897
  216    H    PHE  55           H        PHE  55  -8.056   3.294  -5.543
  217    HA   PHE  55           HA       PHE  55  -9.223   5.595  -4.179
  218    HD1  PHE  55           HD1      PHE  55  -9.251   3.463  -3.017
  219    HD2  PHE  55           HD2      PHE  55  -4.959   3.769  -2.997
  220    HE1  PHE  55           HE1      PHE  55  -9.117   1.229  -1.966
  221    HE2  PHE  55           HE2      PHE  55  -4.851   1.622  -1.649
  222    HZ   PHE  55           HZ       PHE  55  -6.941   0.333  -1.253
  223    HB2  PHE  55           2HB      PHE  55  -6.269   5.015  -4.460
  224    HB3  PHE  55           3HB      PHE  55  -7.079   5.896  -3.201
  225    H    GLY  56           H        GLY  56  -6.775   5.021  -6.665
  226    HA2  GLY  56           2HA      GLY  56  -7.090   6.210  -8.737
  227    HA3  GLY  56           3HA      GLY  56  -7.273   7.708  -7.826
  228    HA   PRO  57           HA       PRO  57  -3.288   9.033  -8.275
  229    HB2  PRO  57           2HB      PRO  57  -2.657   8.754  -5.325
  230    HB3  PRO  57           3HB      PRO  57  -2.277  10.116  -6.429
  231    HG2  PRO  57           2HG      PRO  57  -4.470  10.277  -4.896
  232    HG3  PRO  57           3HG      PRO  57  -4.610  10.679  -6.632
  233    HD2  PRO  57           2HD      PRO  57  -5.368   8.090  -5.245
  234    HD3  PRO  57           3HD      PRO  57  -6.272   9.037  -6.461
  235    H    MET  58           H        MET  58  -2.745   6.382  -6.019
  236    HA   MET  58           HA       MET  58  -0.671   5.199  -5.623
  237    HB2  MET  58           2HB      MET  58  -0.575   3.345  -7.164
  238    HB3  MET  58           3HB      MET  58  -2.149   3.591  -6.389
  239    HG2  MET  58           2HG      MET  58  -3.218   4.098  -8.325
  240    HG3  MET  58           3HG      MET  58  -1.815   4.883  -9.064
  241    HE1  MET  58           3HE      MET  58  -1.960   0.304  -8.634
  242    HE2  MET  58           1HE      MET  58  -1.589   1.462  -7.351
  243    HE3  MET  58           2HE      MET  58  -3.241   1.382  -7.991
  244    H    LYS  59           H        LYS  59   0.523   7.072  -5.880
  245    HA   LYS  59           HA       LYS  59   1.741   7.948  -8.271
  246    HB2  LYS  59           2HB      LYS  59   0.905   9.112  -6.146
  247    HB3  LYS  59           3HB      LYS  59   2.373   8.529  -5.360
  248    HG2  LYS  59           2HG      LYS  59   2.421  10.294  -7.802
  249    HG3  LYS  59           3HG      LYS  59   2.180  10.888  -6.166
  250    HD2  LYS  59           2HD      LYS  59   4.672   9.629  -7.291
  251    HD3  LYS  59           3HD      LYS  59   4.328  11.206  -6.569
  252    HE2  LYS  59           2HE      LYS  59   4.149  10.329  -4.365
  253    HE3  LYS  59           3HE      LYS  59   4.401   8.671  -4.959
  254    HZ1  LYS  59           3HZ      LYS  59   6.445   9.649  -4.088
  255    HZ2  LYS  59           1HZ      LYS  59   6.642   9.296  -5.663
  256    HZ3  LYS  59           2HZ      LYS  59   6.404  10.854  -5.195
  257    H    GLU  60           H        GLU  60   2.862   5.854  -5.621
  258    HA   GLU  60           HA       GLU  60   4.930   4.877  -7.380
  259    HB2  GLU  60           2HB      GLU  60   5.748   6.838  -5.415
  260    HB3  GLU  60           3HB      GLU  60   6.373   5.274  -4.889
  261    HG2  GLU  60           2HG      GLU  60   7.566   4.955  -6.951
  262    HG3  GLU  60           3HG      GLU  60   6.726   6.290  -7.737
  263    H    VAL  61           H        VAL  61   6.137   3.111  -6.649
  264    HA   VAL  61           HA       VAL  61   4.511   1.223  -5.046
  265    HB   VAL  61           HB       VAL  61   4.979   0.794  -8.063
  266   HG11  VAL  61          1HG1      VAL  61   4.256  -1.065  -6.456
  267   HG12  VAL  61          2HG1      VAL  61   2.690  -0.227  -6.402
  268   HG13  VAL  61          3HG1      VAL  61   3.313  -0.850  -7.952
  269   HG21  VAL  61          3HG2      VAL  61   2.442   2.080  -7.031
  270   HG22  VAL  61          1HG2      VAL  61   3.613   2.778  -8.176
  271   HG23  VAL  61          2HG2      VAL  61   2.674   1.368  -8.633
  272    H    LYS  62           H        LYS  62   6.579   1.309  -3.901
  273    HA   LYS  62           HA       LYS  62   8.914   0.003  -5.162
  274    HB2  LYS  62           2HB      LYS  62   8.310   0.183  -2.204
  275    HB3  LYS  62           3HB      LYS  62   9.867  -0.015  -2.988
  276    HG2  LYS  62           2HG      LYS  62   9.600   2.359  -3.899
  277    HG3  LYS  62           3HG      LYS  62   8.126   2.491  -2.930
  278    HD2  LYS  62           2HD      LYS  62   9.703   3.453  -1.513
  279    HD3  LYS  62           3HD      LYS  62   9.569   1.816  -0.900
  280    HE2  LYS  62           2HE      LYS  62  11.872   2.145  -0.933
  281    HE3  LYS  62           3HE      LYS  62  11.597   1.266  -2.446
  282    HZ1  LYS  62           3HZ      LYS  62  11.571   3.522  -3.548
  283    HZ2  LYS  62           1HZ      LYS  62  11.997   4.193  -2.099
  284    HZ3  LYS  62           2HZ      LYS  62  13.010   3.163  -2.860
  285    H    ILE  63           H        ILE  63   8.951  -2.198  -5.540
  286    HA   ILE  63           HA       ILE  63   7.359  -3.965  -3.729
  287    HB   ILE  63           HB       ILE  63   7.569  -4.519  -6.703
  288   HG12  ILE  63          2HG1      ILE  63   5.340  -3.155  -5.130
  289   HG13  ILE  63          3HG1      ILE  63   6.260  -2.517  -6.504
  290   HG21  ILE  63          1HG2      ILE  63   5.847  -6.217  -6.195
  291   HG22  ILE  63          2HG2      ILE  63   7.246  -6.486  -5.174
  292   HG23  ILE  63          3HG2      ILE  63   5.805  -5.699  -4.500
  293   HD11  ILE  63          3HD1      ILE  63   5.250  -4.442  -7.878
  294   HD12  ILE  63          1HD1      ILE  63   4.071  -4.580  -6.532
  295   HD13  ILE  63          2HD1      ILE  63   4.227  -3.072  -7.438
  296    H    LEU  64           H        LEU  64   8.419  -5.475  -2.831
  297    HA   LEU  64           HA       LEU  64  11.168  -6.285  -3.687
  298    HG   LEU  64           HG       LEU  64  12.285  -4.114  -2.331
  299    HB2  LEU  64           2HB      LEU  64  10.101  -5.623  -0.911
  300    HB3  LEU  64           3HB      LEU  64  11.693  -6.252  -1.308
  301   HD11  LEU  64          1HD1      LEU  64   9.446  -3.372  -1.896
  302   HD12  LEU  64          2HD1      LEU  64  10.673  -2.130  -1.558
  303   HD13  LEU  64          3HD1      LEU  64  10.591  -2.876  -3.149
  304   HD21  LEU  64          3HD2      LEU  64  12.372  -2.838  -0.225
  305   HD22  LEU  64          1HD2      LEU  64  11.211  -3.992   0.472
  306   HD23  LEU  64          2HD2      LEU  64  12.807  -4.545  -0.041
  307    H    ASN  65           H        ASN  65  10.468  -8.320  -4.413
  308    HA   ASN  65           HA       ASN  65   9.728 -10.545  -4.296
  309    HB2  ASN  65           2HB      ASN  65  11.425 -10.354  -1.807
  310    HB3  ASN  65           3HB      ASN  65  11.319 -11.717  -2.911
  311   HD21  ASN  65          1HD2      ASN  65  13.335  -9.257  -2.019
  312   HD22  ASN  65          2HD2      ASN  65  14.230  -9.094  -3.522
  313    H    GLY  66           H        GLY  66   7.537  -9.195  -3.034
  314    HA2  GLY  66           2HA      GLY  66   5.798 -10.744  -1.964
  315    HA3  GLY  66           3HA      GLY  66   6.895 -10.893  -0.636
  316    H    PHE  67           H        PHE  67   7.770  -8.090  -0.705
  317    HA   PHE  67           HA       PHE  67   5.453  -6.867   0.699
  318    HD1  PHE  67           HD2      PHE  67   6.500  -7.208   3.533
  319    HD2  PHE  67           HD1      PHE  67   9.731  -7.777   0.782
  320    HE1  PHE  67           HE2      PHE  67   7.112  -9.316   4.706
  321    HE2  PHE  67           HE1      PHE  67  10.276  -9.944   1.851
  322    HZ   PHE  67           HZ       PHE  67   8.994 -10.703   3.856
  323    HB2  PHE  67           2HB      PHE  67   8.300  -5.838   0.599
  324    HB3  PHE  67           3HB      PHE  67   7.065  -5.485   1.795
  325    H    ALA  68           H        ALA  68   4.661  -4.909   0.168
  326    HA   ALA  68           HA       ALA  68   5.648  -3.375  -2.205
  327    HB1  ALA  68           1HB      ALA  68   3.690  -4.637  -2.880
  328    HB2  ALA  68           2HB      ALA  68   2.794  -3.997  -1.481
  329    HB3  ALA  68           3HB      ALA  68   3.346  -2.896  -2.759
  330    H    PHE  69           H        PHE  69   5.809  -1.303  -1.890
  331    HA   PHE  69           HA       PHE  69   4.622  -0.047   0.471
  332    HD1  PHE  69           HD2      PHE  69   7.970  -1.696  -0.847
  333    HD2  PHE  69           HD1      PHE  69   7.087  -0.146   3.066
  334    HE1  PHE  69           HE2      PHE  69   9.101  -3.639   0.170
  335    HE2  PHE  69           HE1      PHE  69   8.394  -2.026   4.083
  336    HZ   PHE  69           HZ       PHE  69   9.506  -3.737   2.552
  337    HB2  PHE  69           2HB      PHE  69   7.400   0.798  -0.347
  338    HB3  PHE  69           3HB      PHE  69   6.542   1.142   1.122
  339    H    VAL  70           H        VAL  70   3.067   0.537  -0.813
  340    HA   VAL  70           HA       VAL  70   3.543   2.066  -3.286
  341    HB   VAL  70           HB       VAL  70   0.841   1.649  -2.016
  342   HG11  VAL  70          1HG1      VAL  70   0.080   1.360  -4.306
  343   HG12  VAL  70          2HG1      VAL  70   0.955   2.924  -4.235
  344   HG13  VAL  70          3HG1      VAL  70   1.729   1.440  -4.918
  345   HG21  VAL  70          3HG2      VAL  70   0.711  -0.387  -3.481
  346   HG22  VAL  70          1HG2      VAL  70   2.481  -0.192  -3.741
  347   HG23  VAL  70          2HG2      VAL  70   1.799  -0.582  -2.104
  348    H    GLU  71           H        GLU  71   2.586   4.237  -3.522
  349    HA   GLU  71           HA       GLU  71   2.830   5.911  -1.052
  350    HB2  GLU  71           2HB      GLU  71   5.110   5.324  -2.047
  351    HB3  GLU  71           3HB      GLU  71   4.588   6.115  -3.525
  352    HG2  GLU  71           2HG      GLU  71   4.328   8.249  -2.433
  353    HG3  GLU  71           3HG      GLU  71   4.650   7.540  -0.855
  354    H    PHE  72           H        PHE  72   2.051   7.913  -1.257
  355    HA   PHE  72           HA       PHE  72   1.014   8.884  -3.893
  356    HD1  PHE  72           HD1      PHE  72  -1.077   7.344  -4.336
  357    HD2  PHE  72           HD2      PHE  72  -1.252   7.697  -0.056
  358    HE1  PHE  72           HE1      PHE  72  -2.436   5.241  -4.198
  359    HE2  PHE  72           HE2      PHE  72  -2.660   5.653   0.042
  360    HZ   PHE  72           HZ       PHE  72  -3.218   4.425  -1.989
  361    HB2  PHE  72           2HB      PHE  72  -0.295   9.407  -1.234
  362    HB3  PHE  72           3HB      PHE  72  -0.931   9.684  -2.841
  363    H    GLU  73           H        GLU  73   0.788  11.218  -4.041
  364    HA   GLU  73           HA       GLU  73   3.139  12.544  -2.821
  365    HB2  GLU  73           2HB      GLU  73   2.752  14.322  -4.447
  366    HB3  GLU  73           3HB      GLU  73   2.980  12.735  -5.165
  367    HG2  GLU  73           2HG      GLU  73   0.493  12.546  -5.477
  368    HG3  GLU  73           3HG      GLU  73   0.303  14.147  -4.762
  369    H    GLU  74           H        GLU  74  -0.155  12.258  -2.113
  370    HA   GLU  74           HA       GLU  74   0.020  14.426  -0.098
  371    HB2  GLU  74           2HB      GLU  74  -2.570  14.654  -0.562
  372    HB3  GLU  74           3HB      GLU  74  -1.383  15.617  -1.414
  373    HG2  GLU  74           3HG      GLU  74  -3.229  14.767  -2.737
  374    HG3  GLU  74           2HG      GLU  74  -1.646  14.408  -3.457
  375    H    ALA  75           H        ALA  75  -1.356  14.126   1.738
  376    HA   ALA  75           HA       ALA  75  -1.500  11.334   2.549
  377    HB1  ALA  75           1HB      ALA  75  -2.029  12.279   4.743
  378    HB2  ALA  75           2HB      ALA  75  -0.648  13.125   4.032
  379    HB3  ALA  75           3HB      ALA  75  -2.257  13.890   4.026
  380    H    GLU  76           H        GLU  76  -3.730  13.140   0.780
  381    HA   GLU  76           HA       GLU  76  -6.178  12.337   2.133
  382    HB2  GLU  76           2HB      GLU  76  -5.880  13.226  -0.747
  383    HB3  GLU  76           3HB      GLU  76  -7.340  13.201   0.232
  384    HG2  GLU  76           2HG      GLU  76  -4.911  15.010   0.540
  385    HG3  GLU  76           3HG      GLU  76  -6.522  15.479   0.014
  386    H    SER  77           H        SER  77  -4.460  11.111  -0.818
  387    HA   SER  77           HA       SER  77  -6.201   8.842  -1.111
  388    HG   SER  77           HG       SER  77  -3.984   6.995  -2.518
  389    HB2  SER  77           2HB      SER  77  -4.593   9.641  -2.841
  390    HB3  SER  77           3HB      SER  77  -3.287   8.940  -1.916
  391    H    ALA  78           H        ALA  78  -3.361   9.386   0.966
  392    HA   ALA  78           HA       ALA  78  -3.221   6.637   1.840
  393    HB1  ALA  78           1HB      ALA  78  -2.351   9.120   3.331
  394    HB2  ALA  78           2HB      ALA  78  -1.775   7.440   3.545
  395    HB3  ALA  78           3HB      ALA  78  -1.448   8.301   2.033
  396    H    ALA  79           H        ALA  79  -4.936   9.491   3.278
  397    HA   ALA  79           HA       ALA  79  -6.324   8.181   5.333
  398    HB1  ALA  79           1HB      ALA  79  -6.284  10.601   4.994
  399    HB2  ALA  79           2HB      ALA  79  -7.314  10.430   3.559
  400    HB3  ALA  79           3HB      ALA  79  -7.938   9.983   5.153
  401    H    LYS  80           H        LYS  80  -7.491   8.529   1.901
  402    HA   LYS  80           HA       LYS  80  -9.709   6.817   2.496
  403    HB2  LYS  80           2HB      LYS  80 -10.414   7.075   0.321
  404    HB3  LYS  80           3HB      LYS  80  -9.424   8.524   0.533
  405    HG2  LYS  80           2HG      LYS  80  -7.577   7.264  -0.690
  406    HG3  LYS  80           3HG      LYS  80  -8.731   5.969  -0.964
  407    HD2  LYS  80           2HD      LYS  80  -9.325   7.103  -2.830
  408    HD3  LYS  80           3HD      LYS  80 -10.202   8.193  -1.783
  409    HE2  LYS  80           2HE      LYS  80  -8.236   9.699  -1.704
  410    HE3  LYS  80           3HE      LYS  80  -7.322   8.560  -2.710
  411    HZ1  LYS  80           3HZ      LYS  80  -9.804   9.926  -3.599
  412    HZ2  LYS  80           1HZ      LYS  80  -8.295  10.380  -4.019
  413    HZ3  LYS  80           2HZ      LYS  80  -8.868   8.929  -4.512
  414    H    ALA  81           H        ALA  81  -6.538   6.045   1.140
  415    HA   ALA  81           HA       ALA  81  -7.017   3.346   0.462
  416    HB1  ALA  81           1HB      ALA  81  -4.448   4.563   1.510
  417    HB2  ALA  81           2HB      ALA  81  -4.626   3.023   0.639
  418    HB3  ALA  81           3HB      ALA  81  -5.007   4.530  -0.173
  419    H    ILE  82           H        ILE  82  -5.997   4.839   3.615
  420    HA   ILE  82           HA       ILE  82  -5.890   2.526   5.184
  421    HB   ILE  82           HB       ILE  82  -6.722   5.327   5.956
  422   HG12  ILE  82          2HG1      ILE  82  -4.125   4.128   6.858
  423   HG13  ILE  82          3HG1      ILE  82  -4.220   4.618   5.175
  424   HG21  ILE  82          1HG2      ILE  82  -7.611   3.835   7.692
  425   HG22  ILE  82          2HG2      ILE  82  -6.021   3.053   7.851
  426   HG23  ILE  82          3HG2      ILE  82  -6.245   4.744   8.309
  427   HD11  ILE  82          3HD1      ILE  82  -4.992   6.844   5.895
  428   HD12  ILE  82          1HD1      ILE  82  -4.813   6.388   7.587
  429   HD13  ILE  82          2HD1      ILE  82  -3.378   6.466   6.528
  430    H    GLU  83           H        GLU  83  -8.668   4.752   4.784
  431    HA   GLU  83           HA       GLU  83 -10.548   3.166   6.212
  432    HB2  GLU  83           2HB      GLU  83 -10.918   5.206   4.015
  433    HB3  GLU  83           3HB      GLU  83 -12.241   4.552   4.987
  434    HG2  GLU  83           2HG      GLU  83  -9.834   5.932   6.280
  435    HG3  GLU  83           3HG      GLU  83 -11.216   6.807   5.645
  436    H    GLU  84           H        GLU  84  -9.366   2.753   2.941
  437    HA   GLU  84           HA       GLU  84 -11.592   1.041   2.032
  438    HB2  GLU  84           2HB      GLU  84  -8.940   1.932   0.839
  439    HB3  GLU  84           3HB      GLU  84  -9.967   0.753   0.047
  440    HG2  GLU  84           2HG      GLU  84 -11.059   3.472   0.771
  441    HG3  GLU  84           3HG      GLU  84 -10.087   3.250  -0.670
  442    H    VAL  85           H        VAL  85  -8.175   0.570   3.027
  443    HA   VAL  85           HA       VAL  85  -8.595  -2.387   3.008
  444    HB   VAL  85           HB       VAL  85  -8.041  -1.734   0.784
  445   HG11  VAL  85          1HG1      VAL  85  -5.607  -0.435   1.967
  446   HG12  VAL  85          2HG1      VAL  85  -5.689  -0.912   0.259
  447   HG13  VAL  85          3HG1      VAL  85  -6.836   0.264   0.928
  448   HG21  VAL  85          3HG2      VAL  85  -5.634  -3.126   1.932
  449   HG22  VAL  85          1HG2      VAL  85  -7.208  -3.915   1.653
  450   HG23  VAL  85          2HG2      VAL  85  -6.287  -3.261   0.289
  451    H    HIS  86           H        HIS  86  -7.061   0.188   4.747
  452    HA   HIS  86           HA       HIS  86  -4.930  -1.389   5.910
  453    HD1  HIS  86           HD1      HIS  86  -2.911   1.275   7.358
  454    HD2  HIS  86           HD2      HIS  86  -5.785  -0.795   9.609
  455    HE1  HIS  86           HE1      HIS  86  -1.774   0.645   9.570
  456    HB2  HIS  86           2HB      HIS  86  -5.143   1.056   6.196
  457    HB3  HIS  86           3HB      HIS  86  -6.519   0.816   7.267
  458    H    GLY  87           H        GLY  87  -5.256  -3.334   6.856
  459    HA2  GLY  87           2HA      GLY  87  -5.547  -4.496   8.885
  460    HA3  GLY  87           3HA      GLY  87  -6.827  -3.388   9.382
  461    H    LYS  88           H        LYS  88  -7.359  -4.057   6.211
  462    HA   LYS  88           HA       LYS  88  -9.408  -6.160   6.578
  463    HB2  LYS  88           2HB      LYS  88  -8.478  -4.201   4.457
  464    HB3  LYS  88           3HB      LYS  88  -9.257  -5.625   3.947
  465    HG2  LYS  88           2HG      LYS  88 -10.932  -3.914   4.135
  466    HG3  LYS  88           3HG      LYS  88 -11.226  -5.046   5.446
  467    HD2  LYS  88           2HD      LYS  88 -11.574  -2.978   6.464
  468    HD3  LYS  88           3HD      LYS  88  -9.907  -3.309   6.929
  469    HE2  LYS  88           2HE      LYS  88  -9.168  -1.946   4.956
  470    HE3  LYS  88           3HE      LYS  88 -10.854  -1.535   4.629
  471    HZ1  LYS  88           3HZ      LYS  88 -10.919  -0.437   6.801
  472    HZ2  LYS  88           1HZ      LYS  88  -9.365  -0.880   7.122
  473    HZ3  LYS  88           2HZ      LYS  88  -9.678   0.190   5.934
  474    H    SER  89           H        SER  89  -9.130  -8.160   5.576
  475    HA   SER  89           HA       SER  89  -6.285  -8.981   5.418
  476    HG   SER  89           HG       SER  89  -8.251 -10.992   7.663
  477    HB2  SER  89           2HB      SER  89  -8.627 -10.830   5.394
  478    HB3  SER  89           3HB      SER  89  -6.943 -11.205   5.744
  479    H    PHE  90           H        PHE  90  -5.279  -9.153   3.582
  480    HA   PHE  90           HA       PHE  90  -6.752 -10.164   1.170
  481    HD1  PHE  90           HD1      PHE  90  -3.789 -10.496  -0.826
  482    HD2  PHE  90           HD2      PHE  90  -6.935  -7.546  -0.608
  483    HE1  PHE  90           HE1      PHE  90  -4.294 -10.852  -3.240
  484    HE2  PHE  90           HE2      PHE  90  -7.414  -7.886  -3.028
  485    HZ   PHE  90           HZ       PHE  90  -6.118  -9.559  -4.322
  486    HB2  PHE  90           2HB      PHE  90  -5.655  -7.948   1.184
  487    HB3  PHE  90           3HB      PHE  90  -4.104  -8.697   1.282
  488    H    ALA  91           H        ALA  91  -5.979 -11.893   0.049
  489    HA   ALA  91           HA       ALA  91  -5.354 -14.007  -0.225
  490    HB1  ALA  91           1HB      ALA  91  -2.966 -14.520  -0.081
  491    HB2  ALA  91           2HB      ALA  91  -3.251 -12.930  -0.816
  492    HB3  ALA  91           3HB      ALA  91  -2.687 -13.049   0.863
  493    H    ASN  92           H        ASN  92  -3.926 -13.263   2.964
  494    HA   ASN  92           HA       ASN  92  -5.557 -15.279   4.309
  495    HB2  ASN  92           2HB      ASN  92  -3.655 -16.606   5.140
  496    HB3  ASN  92           3HB      ASN  92  -3.736 -16.664   3.386
  497   HD21  ASN  92          2HD2      ASN  92  -1.802 -15.557   6.144
  498   HD22  ASN  92          1HD2      ASN  92  -0.425 -15.114   5.154
  499    H    GLN  93           H        GLN  93  -4.069 -12.232   4.439
  500    HA   GLN  93           HA       GLN  93  -4.365 -11.957   7.303
  501    HB2  GLN  93           2HB      GLN  93  -1.985 -11.556   7.847
  502    HB3  GLN  93           3HB      GLN  93  -2.282 -13.207   7.343
  503    HG2  GLN  93           2HG      GLN  93  -1.478 -12.508   5.009
  504    HG3  GLN  93           3HG      GLN  93  -0.925 -11.001   5.767
  505   HE21  GLN  93          2HE2      GLN  93   0.643 -13.231   4.399
  506   HE22  GLN  93          1HE2      GLN  93   1.728 -13.806   5.654
  507    HA   PRO  94           HA       PRO  94  -4.740  -7.912   6.018
  508    HB2  PRO  94           2HB      PRO  94  -3.741  -6.702   8.579
  509    HB3  PRO  94           3HB      PRO  94  -5.397  -6.711   7.911
  510    HG2  PRO  94           2HG      PRO  94  -4.707  -8.268  10.045
  511    HG3  PRO  94           3HG      PRO  94  -5.848  -8.835   8.785
  512    HD2  PRO  94           2HD      PRO  94  -2.852  -9.359   9.008
  513    HD3  PRO  94           3HD      PRO  94  -4.171 -10.540   8.790
  514    H    LEU  95           H        LEU  95  -4.292  -5.911   5.477
  515    HA   LEU  95           HA       LEU  95  -1.557  -5.217   4.690
  516    HG   LEU  95           HG       LEU  95  -3.766  -4.292   1.887
  517    HB2  LEU  95           2HB      LEU  95  -4.353  -4.044   4.409
  518    HB3  LEU  95           3HB      LEU  95  -2.962  -3.259   3.766
  519   HD11  LEU  95          1HD1      LEU  95  -1.521  -5.176   2.080
  520   HD12  LEU  95          2HD1      LEU  95  -2.161  -6.526   3.019
  521   HD13  LEU  95          3HD1      LEU  95  -2.616  -6.360   1.315
  522   HD21  LEU  95          3HD2      LEU  95  -5.635  -5.337   3.131
  523   HD22  LEU  95          1HD2      LEU  95  -5.048  -6.045   1.638
  524   HD23  LEU  95          2HD2      LEU  95  -4.611  -6.801   3.209
  525    H    GLU  96           H        GLU  96  -0.484  -3.304   5.225
  526    HA   GLU  96           HA       GLU  96  -1.440  -1.730   7.561
  527    HB2  GLU  96           2HB      GLU  96   0.446  -3.375   7.993
  528    HB3  GLU  96           3HB      GLU  96   1.482  -2.326   7.019
  529    HG2  GLU  96           2HG      GLU  96   0.890  -0.401   8.505
  530    HG3  GLU  96           3HG      GLU  96  -0.136  -1.466   9.466
  531    H    VAL  97           H        VAL  97  -2.368  -0.948   5.475
  532    HA   VAL  97           HA       VAL  97  -0.969   0.759   3.615
  533    HB   VAL  97           HB       VAL  97  -3.820   0.460   4.548
  534   HG11  VAL  97          1HG1      VAL  97  -4.586   1.501   2.486
  535   HG12  VAL  97          2HG1      VAL  97  -3.692   2.662   3.480
  536   HG13  VAL  97          3HG1      VAL  97  -2.948   1.913   2.044
  537   HG21  VAL  97          3HG2      VAL  97  -3.125  -0.412   1.775
  538   HG22  VAL  97          1HG2      VAL  97  -2.212  -1.267   2.999
  539   HG23  VAL  97          2HG2      VAL  97  -3.973  -1.288   3.075
  540    H    VAL  98           H        VAL  98   0.224   2.580   4.704
  541    HA   VAL  98           HA       VAL  98  -1.401   4.329   6.377
  542    HB   VAL  98           HB       VAL  98  -0.664   2.011   7.510
  543   HG11  VAL  98          1HG1      VAL  98   1.762   2.230   7.454
  544   HG12  VAL  98          2HG1      VAL  98   1.582   3.513   8.731
  545   HG13  VAL  98          3HG1      VAL  98   0.998   1.887   9.007
  546   HG21  VAL  98          3HG2      VAL  98  -1.162   3.001   9.627
  547   HG22  VAL  98          1HG2      VAL  98  -1.071   4.618   8.865
  548   HG23  VAL  98          2HG2      VAL  98  -2.256   3.395   8.285
  549    H    TYR  99           H        TYR  99   1.855   4.199   7.275
  550    HA   TYR  99           HA       TYR  99   2.722   6.412   5.473
  551    HD1  TYR  99           HD2      TYR  99   1.040   7.776   6.125
  552    HD2  TYR  99           HD1      TYR  99   2.177   6.939  10.200
  553    HE1  TYR  99           HE2      TYR  99  -1.050   8.805   6.886
  554    HE2  TYR  99           HE1      TYR  99   0.065   7.982  10.988
  555    HH   TYR  99           HH       TYR  99  -1.893   9.018  10.393
  556    HB2  TYR  99           2HB      TYR  99   3.410   5.968   8.389
  557    HB3  TYR  99           3HB      TYR  99   3.784   7.394   7.423
  558    H    SER 100           H        SER 100   2.947   3.518   5.403
  559    HA   SER 100           HA       SER 100   4.052   1.781   5.728
  560    HG   SER 100           HG       SER 100   6.816   2.207   3.587
  561    HB2  SER 100           2HB      SER 100   4.813   1.126   3.578
  562    HB3  SER 100           3HB      SER 100   3.958   2.488   3.413
  563    H    LYS 101           H        LYS 101   5.808   3.823   7.297
  564    HA   LYS 101           HA       LYS 101   7.594   3.648   8.748
  565    HB2  LYS 101           2HB      LYS 101   6.759   0.725   8.655
  566    HB3  LYS 101           3HB      LYS 101   7.838   1.429   9.868
  567    HG2  LYS 101           2HG      LYS 101   6.104   2.959  10.635
  568    HG3  LYS 101           3HG      LYS 101   4.979   2.382   9.390
  569    HD2  LYS 101           2HD      LYS 101   4.943   0.152  10.357
  570    HD3  LYS 101           3HD      LYS 101   6.169   0.608  11.568
  571    HE2  LYS 101           2HE      LYS 101   4.663   2.249  12.568
  572    HE3  LYS 101           3HE      LYS 101   3.463   1.987  11.285
  573    HZ1  LYS 101           3HZ      LYS 101   2.918   0.748  13.314
  574    HZ2  LYS 101           1HZ      LYS 101   3.151  -0.254  12.043
  575    HZ3  LYS 101           2HZ      LYS 101   4.306  -0.110  13.211
  576    H    LEU 102           H        LEU 102   8.296   3.752   6.063
  577    HA   LEU 102           HA       LEU 102  11.048   2.655   6.134
  578    HG   LEU 102           HG       LEU 102  11.657   2.685   3.213
  579    HB2  LEU 102           2HB      LEU 102   9.539   1.152   4.778
  580    HB3  LEU 102           3HB      LEU 102   9.158   2.528   3.752
  581   HD11  LEU 102          1HD1      LEU 102  11.676  -0.087   4.489
  582   HD12  LEU 102          2HD1      LEU 102  13.000   0.645   3.563
  583   HD13  LEU 102          3HD1      LEU 102  12.530   1.336   5.119
  584   HD21  LEU 102          3HD2      LEU 102  11.575   0.866   1.577
  585   HD22  LEU 102          1HD2      LEU 102  10.254   0.082   2.469
  586   HD23  LEU 102          2HD2      LEU 102   9.994   1.652   1.684
  587    HA   PRO 103           HA       PRO 103  11.253   7.062   5.216
  588    HB2  PRO 103           2HB      PRO 103  13.859   7.574   5.754
  589    HB3  PRO 103           3HB      PRO 103  12.724   7.019   7.017
  590    HG2  PRO 103           2HG      PRO 103  14.648   5.318   5.385
  591    HG3  PRO 103           3HG      PRO 103  14.475   5.381   7.174
  592    HD2  PRO 103           2HD      PRO 103  13.205   3.500   5.654
  593    HD3  PRO 103           3HD      PRO 103  12.447   4.198   7.118
  594    H    ALA 104           H        ALA 104  12.408   4.776   3.064
  595    HA   ALA 104           HA       ALA 104  13.269   6.771   1.013
  596    HB1  ALA 104           1HB      ALA 104  14.662   4.143   1.709
  597    HB2  ALA 104           2HB      ALA 104  15.084   5.218   0.361
  598    HB3  ALA 104           3HB      ALA 104  15.295   5.774   2.033