*HEADER    LIGASE/CELL CYCLE                       19-NOV-02   1N87              
*TITLE     SOLUTION STRUCTURE OF THE U-BOX OF PRP19                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PRE-MRNA SPLICING FACTOR PRP19;                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   3 ORGANISM_COMMON: YEAST;                                              
*SOURCE   4 GENE: PRP19;                                                         
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PET15B                                    
*KEYWDS    UBIQUITIN LIGASE, E3 LIGASE, U-BOX                                    
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    M.D.OHI, C.W.VANDER KOOI, W.J.CHAZIN                                  
*REVDAT   1   15-APR-03 1N87    0                                                
#
# 2  LEU  HN    2  LEU  HA      3.15
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  21, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65, 
      rk2=32.0, rk3=32.0, ir6=1, ialtd=0,
 &end
#
# 2  LEU  HN    2  LEU  QB      4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2=  23,  24,
 &end
#
# 2  LEU  HN    2  LEU  QB      5.35
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2=  23,  24,
 &end
#
# 2  LEU  HN    2  LEU  QQD      6.76
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  25, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,  &end
#
# 2  LEU  HN    3  CYS  HN      4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  38, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 2  LEU  HN    3  CYS  HN      4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  19,  38, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 2  LEU  HA    3  CYS  HN      2.83
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  38, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 2  LEU  HA    7  GLY  HN      5.74
 &rst
  ixpk= 0, nxpk= 0, iat=  21,  89, r1= 1.30, r2= 1.80, r3= 5.74, r4= 6.24,  &end
#
# 2  LEU  HA    22  ILE  HN      5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  21, 341, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
# 2  LEU  QB    3  CYS  HN      4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,
 igr1=  23,  24,
 &end
#
# 3  CYS  HN    3  CYS  HA      2.95
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  40, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 3  CYS  HN    3  CYS  HB2      3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  42, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 3  CYS  HN    3  CYS  HB3      3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  43, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 3  CYS  HN    4  ALA  HN      4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  49, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 3  CYS  HN    4  ALA  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  49, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  HN    5  ILE  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  59, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  HN    6  SER  HN      5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  78, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,  &end
#
# 3  CYS  HN    6  SER  HN      5.12
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  78, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 3  CYS  HN    7  GLY  HN      4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  89, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 3  CYS  HN    7  GLY  HN      3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  89, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 3  CYS  HN    8  LYS+  HN      3.73
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  96, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 3  CYS  HN    8  LYS+  HN      3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  38,  96, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 3  CYS  HN    23  PHE  HA      4.78
 &rst
  ixpk= 0, nxpk= 0, iat=  38, 362, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 3  CYS  HN    24  GLU-  HN      5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  38, 380, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 3  CYS  HA    24  GLU-  HN      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  40, 380, r1= 1.30, r2= 1.80, r3= 3.99, r4= 4.49,  &end
#
# 3  CYS  HB2    4  ALA  HN      4.1
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  49, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 3  CYS  HB2    5  ILE  HN      5.65
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  59, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
# 3  CYS  HB2    6  SER  HN      4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  78, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 3  CYS  HB2    7  GLY  HN      3.95
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  89, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 3  CYS  HB2    8  LYS+  HN      3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  96, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 3  CYS  HB2    24  GLU-  HN      5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  42, 380, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 3  CYS  HB3    4  ALA  HN      3.85
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  49, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 3  CYS  HB3    5  ILE  HN      5.56
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  59, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,  &end
#
# 3  CYS  HB3    6  SER  HN      4.26
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  78, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 3  CYS  HB3    7  GLY  HN      3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  89, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 3  CYS  HB3    8  LYS+  HN      4.16
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  96, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 3  CYS  HB3    24  GLU-  HN      3.93
 &rst
  ixpk= 0, nxpk= 0, iat=  43, 380, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 3  CYS  HG    5  ILE  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  59, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  HG    6  SER  HN      5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  78, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 3  CYS  HG    7  GLY  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  89, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  HG    8  LYS+  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  96, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 4  ALA  HN    4  ALA  HA      3.09
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  51, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 4  ALA  HN    4  ALA  QB      3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2=  53,  54,  55,
 &end
#
# 4  ALA  HN    5  ILE  HN      3.48
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  59, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 4  ALA  HN    5  ILE  HN      3.51
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  59, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 4  ALA  HN    5  ILE  QG1      6.53
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  -1, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr2=  69,  70,
 &end
#
# 4  ALA  HN    6  SER  HN      5
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  78, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 4  ALA  HN    7  GLY  HN      5.09
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  89, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 4  ALA  HN    7  GLY  HN      5.03
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  89, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,  &end
#
# 4  ALA  HN    21  THR  HB      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  49, 331, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 4  ALA  HN    21  THR  QG2      5.84
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr2= 333, 334, 335,
 &end
#
# 4  ALA  HN    22  ILE  HN      5.65
 &rst
  ixpk= 0, nxpk= 0, iat=  49, 341, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
# 4  ALA  HN    22  ILE  QG2      6.87
 &rst
  ixpk= 0, nxpk= 0, iat=  49,  -1, r1= 1.30, r2= 1.80, r3= 8.25, r4= 8.75,
 igr2= 347, 348, 349,
 &end
#
# 4  ALA  HN    23  PHE  HN      5.65
 &rst
  ixpk= 0, nxpk= 0, iat=  49, 360, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
# 4  ALA  HN    23  PHE  HN      5.28
 &rst
  ixpk= 0, nxpk= 0, iat=  49, 360, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
# 4  ALA  HN    23  PHE  HA      3.3
 &rst
  ixpk= 0, nxpk= 0, iat=  49, 362, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 4  ALA  HN    23  PHE  HB3      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  49, 365, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 4  ALA  HN    24  GLU-  HN      4.69
 &rst
  ixpk= 0, nxpk= 0, iat=  49, 380, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 4  ALA  HN    24  GLU-  HN      4.6
 &rst
  ixpk= 0, nxpk= 0, iat=  49, 380, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 4  ALA  QB    21  THR  HN      6.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  53,  54,  55,
 &end
#
# 4  ALA  QB    22  ILE  HN      6.12
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 341, r1= 1.30, r2= 1.80, r3= 7.35, r4= 7.85,
 igr1=  53,  54,  55,
 &end
#
# 5  ILE  HN    5  ILE  HA      3.12
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  61, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 5  ILE  HN    5  ILE  HB      2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  63, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 5  ILE  HN    5  ILE  QG1      4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=  69,  70,
 &end
#
# 5  ILE  HN    5  ILE  QD1      4.82
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2=  72,  73,  74,
 &end
#
# 5  ILE  HN    6  SER  HN      3.17
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  78, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 5  ILE  HN    6  SER  HN      2.99
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  78, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 5  ILE  HN    6  SER  HA      5.44
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  80, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,  &end
#
# 5  ILE  HN    6  SER  QB      5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2=  82,  83,
 &end
#
# 5  ILE  HN    7  GLY  HN      3.98
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  89, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 5  ILE  HN    7  GLY  HN      3.82
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  89, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,  &end
#
# 5  ILE  HN    8  LYS+  HN      5.71
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  96, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
# 5  ILE  HN    23  PHE  HA      4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  59, 362, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 5  ILE  HN    23  PHE  HB2      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  59, 364, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 5  ILE  HN    23  PHE  HB3      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  59, 365, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 5  ILE  HN    27  LEU  HG      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  59, 435, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 5  ILE  HA    6  SER  HN      3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  78, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 5  ILE  HB    6  SER  HN      3.2
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  78, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 5  ILE  HB    7  GLY  HN      4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  89, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 5  ILE  QD1    6  SER  HN      6.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  78, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr1=  72,  73,  74,
 &end
#
# 5  ILE  QD1    7  GLY  HN      6.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  89, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  72,  73,  74,
 &end
#
# 5  ILE  QD1    24  GLU-  HN      6.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
 igr1=  72,  73,  74,
 &end
#
# 5  ILE  QD1    28  LEU  HN      6.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 7.24, r4= 7.74,
 igr1=  72,  73,  74,
 &end
#
# 5  ILE  QD1    31  TYR  HN      6.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  72,  73,  74,
 &end
#
# 6  SER  HN    6  SER  HA      3.61
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  80, r1= 1.30, r2= 1.80, r3= 3.61, r4= 4.11,  &end
#
# 6  SER  HN    7  GLY  HN      3.17
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  89, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 6  SER  HN    7  GLY  HN      3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  89, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 6  SER  HN    7  GLY  HA1      4.66
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  91, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 6  SER  HN    8  LYS+  HN      4.1
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  96, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 6  SER  HN    27  LEU  HG      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  78, 435, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 6  SER  HN    27  LEU  QD2      5.25
 &rst
  ixpk= 0, nxpk= 0, iat=  78,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 441, 442, 443,
 &end
#
# 6  SER  HA    7  GLY  HN      3.67
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  89, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 6  SER  HA    8  LYS+  HN      4.51
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  96, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 7  GLY  HN    7  GLY  HA1      2.83
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  91, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 7  GLY  HN    7  GLY  HA2      2.83
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  92, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 7  GLY  HN    8  LYS+  HN      3.11
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  96, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 7  GLY  HN    8  LYS+  HN      3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  96, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 7  GLY  HN    8  LYS+  HA      5.62
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  98, r1= 1.30, r2= 1.80, r3= 5.62, r4= 6.12,  &end
#
# 7  GLY  HN    8  LYS+  HB3      4.19
 &rst
  ixpk= 0, nxpk= 0, iat=  89, 101, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 7  GLY  HN    8  LYS+  QD      6.03
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  -1, r1= 1.30, r2= 1.80, r3= 6.77, r4= 7.27,
 igr2= 106, 107,
 &end
#
# 7  GLY  HN    23  PHE  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  89, 362, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 7  GLY  HN    23  PHE  HB3      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  89, 365, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 7  GLY  HN    27  LEU  QD1      5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  -1, r1= 1.30, r2= 1.80, r3= 6.94, r4= 7.44,
 igr2= 437, 438, 439,
 &end
#
# 7  GLY  HA1    8  LYS+  HN      3.45
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  96, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 7  GLY  HA2    8  LYS+  HN      3.28
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  96, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,  &end
#
# 8  LYS+  HN    8  LYS+  HA      3.2
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  98, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 8  LYS+  HN    8  LYS+  QB      4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 100, 101,
 &end
#
# 8  LYS+  HN    8  LYS+  QG      4.7
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 103, 104,
 &end
#
# 8  LYS+  HN    8  LYS+  QD      4.3
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 106, 107,
 &end
#
# 8  LYS+  HN    9  VAL  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  96, 118, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 8  LYS+  HN    9  VAL  QQG      7.12
 &rst
  ixpk= 0, nxpk= 0, iat=  96, 121, r1= 1.30, r2= 1.80, r3= 7.12, r4= 7.62,  &end
#
# 8  LYS+  HA    9  VAL  HN      2.8
 &rst
  ixpk= 0, nxpk= 0, iat=  98, 118, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 8  LYS+  QB    9  VAL  HN      4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 118, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 100, 101,
 &end
#
# 8  LYS+  QD    9  VAL  HN      4.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 118, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 106, 107,
 &end
#
# 8  LYS+  QE    9  VAL  HN      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 118, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 109, 110,
 &end
#
# 9  VAL  HN    9  VAL  HA      3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 120, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 9  VAL  HN    9  VAL  HB      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 122, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 9  VAL  HN    9  VAL  QQG      4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 121, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 10  PRO  HA    11  ARG+  HN      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 148, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 11  ARG+  N    25  LYS+  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 395, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 11  ARG+  HN    11  ARG+  HA      3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 150, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 11  ARG+  HN    11  ARG+  QB      4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr2= 152, 153,
 &end
#
# 11  ARG+  HN    11  ARG+  QG      5.51
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr2= 155, 156,
 &end
#
# 11  ARG+  HN    11  ARG+  QD      6.75
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 7.58, r4= 8.08,
 igr2= 158, 159,
 &end
#
# 11  ARG+  HN    12  ARG+  HN      2.86
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 172, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 11  ARG+  HN    12  ARG+  HN      2.9
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 172, r1= 1.30, r2= 1.80, r3= 2.90, r4= 3.40,  &end
#
# 11  ARG+  HN    13  PRO  HD3      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 198, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 11  ARG+  HN    24  GLU-  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 384, 385,
 &end
#
# 11  ARG+  HN    24  GLU-  QG      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 387, 388,
 &end
#
# 11  ARG+  HN    25  LYS+  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 395, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 11  ARG+  HN    27  LEU  QD2      6.93
 &rst
  ixpk= 0, nxpk= 0, iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 441, 442, 443,
 &end
#
# 11  ARG+  HA    12  ARG+  HN      3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 150, 172, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,  &end
#
# 12  ARG+  HN    12  ARG+  HA      3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 174, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 12  ARG+  HN    12  ARG+  QB      3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,
 igr2= 176, 177,
 &end
#
# 12  ARG+  HN    12  ARG+  QG      3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 179, 180,
 &end
#
# 12  ARG+  HN    12  ARG+  QD      5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr2= 182, 183,
 &end
#
# 12  ARG+  HN    13  PRO  HD2      4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 197, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 12  ARG+  HN    13  PRO  HD3      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 198, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 12  ARG+  HN    24  GLU-  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 384, 385,
 &end
#
# 12  ARG+  HN    25  LYS+  HN      4.1
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 395, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 12  ARG+  HN    25  LYS+  HN      3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 395, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 12  ARG+  HN    26  SER  HN      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 417, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 12  ARG+  HN    27  LEU  QD2      6.43
 &rst
  ixpk= 0, nxpk= 0, iat= 172,  -1, r1= 1.30, r2= 1.80, r3= 7.72, r4= 8.22,
 igr2= 441, 442, 443,
 &end
#
# 12  ARG+  QD    25  LYS+  HN      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 182, 183,
 &end
#
# 13  PRO  HA    14  VAL  HN      4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 210, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,  &end
#
# 13  PRO  HD3    14  VAL  HN      4.8
 &rst
  ixpk= 0, nxpk= 0, iat= 198, 210, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,  &end
#
# 14  VAL  HN    14  VAL  HA      3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 212, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 14  VAL  HN    14  VAL  HB      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 214, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 14  VAL  HN    14  VAL  QG1      4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,
 igr2= 216, 217, 218,
 &end
#
# 14  VAL  HN    15  LEU  HN      4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 226, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 14  VAL  HN    15  LEU  HN      4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 226, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 14  VAL  HN    15  LEU  HN      4.6
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 226, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 14  VAL  HN    22  ILE  HA      4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 343, r1= 1.30, r2= 1.80, r3= 4.02, r4= 4.52,  &end
#
# 14  VAL  HN    22  ILE  QG2      4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 210,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 347, 348, 349,
 &end
#
# 14  VAL  HN    23  PHE  HN      3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 360, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 14  VAL  HN    23  PHE  HA      4.66
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 362, r1= 1.30, r2= 1.80, r3= 4.66, r4= 5.16,  &end
#
# 14  VAL  HN    23  PHE  HB2      5.2
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 364, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 14  VAL  HN    53  ILE  HB      4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 839, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 14  VAL  HA    15  LEU  HN      2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 226, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 14  VAL  HA    53  ILE  HN      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 835, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 14  VAL  HB    25  LYS+  HN      4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 395, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 14  VAL  QG1    15  LEU  HN      4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 226, r1= 1.30, r2= 1.80, r3= 5.01, r4= 5.51,
 igr1= 216, 217, 218,
 &end
#
# 14  VAL  QG1    23  PHE  HN      4.94
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 5.93, r4= 6.43,
 igr1= 216, 217, 218,
 &end
#
# 14  VAL  QG1    25  LYS+  HN      4.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 4.90, r4= 5.40,
 igr1= 216, 217, 218,
 &end
#
# 14  VAL  QG1    53  ILE  HN      5.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 835, r1= 1.30, r2= 1.80, r3= 6.64, r4= 7.14,
 igr1= 216, 217, 218,
 &end
#
# 15  LEU  HN    15  LEU  HA      3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 228, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 15  LEU  HN    15  LEU  HB2      3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 230, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 15  LEU  HN    15  LEU  HB3      3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 231, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 15  LEU  HN    15  LEU  QQD      6.36
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 232, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,  &end
#
# 15  LEU  HN    16  SER  HN      4.57
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 245, r1= 1.30, r2= 1.80, r3= 4.57, r4= 5.07,  &end
#
# 15  LEU  HN    23  PHE  HN      6.1
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 360, r1= 1.30, r2= 1.80, r3= 6.10, r4= 6.60,  &end
#
# 15  LEU  HN    51  VAL  HN      3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 804, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 15  LEU  HN    51  VAL  HN      3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 804, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 15  LEU  HN    52  GLU-  HA      3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 822, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 15  LEU  HN    53  ILE  HN      4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 835, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 15  LEU  HA    16  SER  HN      3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 245, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 15  LEU  HA    23  PHE  HN      4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 360, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 15  LEU  HA    51  VAL  HN      6.04
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 804, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
# 15  LEU  HB3    16  SER  HN      4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 231, 245, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 15  LEU  QQD    18  LYS+  HN      8.03
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 270, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,  &end
#
# 15  LEU  QQD    19  SER  HN      8.03
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 292, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,  &end
#
# 15  LEU  QQD    20  ARG+  HN      6.58
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 303, r1= 1.30, r2= 1.80, r3= 6.58, r4= 7.08,  &end
#
# 15  LEU  QQD    21  THR  HN      6.67
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 327, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,  &end
#
# 15  LEU  QQD    51  VAL  HN      8.03
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 804, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,  &end
#
# 16  SER  HN    16  SER  HA      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 247, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 16  SER  HN    18  LYS+  HN      4.72
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 270, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,  &end
#
# 16  SER  HN    19  SER  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 292, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 16  SER  HN    20  ARG+  HN      4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 303, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 16  SER  HN    21  THR  HN      4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 327, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 16  SER  HA    18  LYS+  HN      3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 270, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 16  SER  HA    19  SER  HN      5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 292, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
# 16  SER  HA    51  VAL  HN      3.7
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 804, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,  &end
#
# 18  LYS+  HN    18  LYS+  HA      3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 272, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 18  LYS+  HN    18  LYS+  HB2      3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 274, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 18  LYS+  HN    18  LYS+  HB3      3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 275, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 18  LYS+  HN    18  LYS+  QG      4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 277, 278,
 &end
#
# 18  LYS+  HN    18  LYS+  QD      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 280, 281,
 &end
#
# 18  LYS+  HN    18  LYS+  QD      4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr2= 280, 281,
 &end
#
# 18  LYS+  HN    18  LYS+  QE      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 283, 284,
 &end
#
# 18  LYS+  HN    19  SER  HN      3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 292, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 18  LYS+  HN    19  SER  HN      2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 292, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 18  LYS+  HN    19  SER  QB      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 296, 297,
 &end
#
# 18  LYS+  HN    20  ARG+  HN      3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 303, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 18  LYS+  HN    20  ARG+  HN      3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 303, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 18  LYS+  HA    19  SER  HN      3.6
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 292, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 18  LYS+  HA    20  ARG+  HN      5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 303, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
# 18  LYS+  HB2    19  SER  HN      3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 292, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 18  LYS+  HB2    20  ARG+  HN      5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 303, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 18  LYS+  HB2    43  GLU-  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 677, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 18  LYS+  HB3    19  SER  HN      3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 292, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 18  LYS+  QG    19  SER  HN      5.16
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr1= 277, 278,
 &end
#
# 18  LYS+  QD    19  SER  HN      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 292, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 280, 281,
 &end
#
# 18  LYS+  QD    46  SER  HN      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 280, 281,
 &end
#
# 18  LYS+  QE    46  SER  HN      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 725, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 283, 284,
 &end
#
# 19  SER  HN    19  SER  HA      3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 294, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 19  SER  HN    19  SER  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 296, 297,
 &end
#
# 19  SER  HN    20  ARG+  HN      3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 303, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 19  SER  HN    20  ARG+  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 305, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 19  SER  HN    21  THR  QG2      5.13
 &rst
  ixpk= 0, nxpk= 0, iat= 292,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2= 333, 334, 335,
 &end
#
# 19  SER  HN    38  ASP-  HB2      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 608, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 19  SER  HN    38  ASP-  HB3      4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 609, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 19  SER  HA    20  ARG+  HN      3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 303, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 19  SER  QB    40  ILE  HN      6.25
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 7.02, r4= 7.52,
 igr1= 296, 297,
 &end
#
# 19  SER  QB    41  THR  HN      6.53
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 7.33, r4= 7.83,
 igr1= 296, 297,
 &end
#
# 20  ARG+  HN    20  ARG+  HA      3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 305, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 20  ARG+  HN    20  ARG+  QB      4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 307, 308,
 &end
#
# 20  ARG+  HN    20  ARG+  QG      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 310, 311,
 &end
#
# 20  ARG+  HN    20  ARG+  QD      6.31
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr2= 313, 314,
 &end
#
# 20  ARG+  HN    21  THR  HN      3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 303, 327, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 20  ARG+  HN    21  THR  QG2      5.5
 &rst
  ixpk= 0, nxpk= 0, iat= 303,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 333, 334, 335,
 &end
#
# 20  ARG+  QG    21  THR  HN      5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 310, 311,
 &end
#
# 21  THR  HN    21  THR  HB      3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 327, 331, r1= 1.30, r2= 1.80, r3= 3.45, r4= 3.95,  &end
#
# 21  THR  HN    21  THR  QG2      4.6
 &rst
  ixpk= 0, nxpk= 0, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr2= 333, 334, 335,
 &end
#
# 21  THR  HA    22  ILE  HN      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 341, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 21  THR  QG2    22  ILE  HN      6.09
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 341, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1= 333, 334, 335,
 &end
#
# 22  ILE  HN    22  ILE  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 343, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 22  ILE  HN    22  ILE  HB      3.42
 &rst
  ixpk= 0, nxpk= 0, iat= 341, 345, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 22  ILE  HN    22  ILE  QG2      4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 347, 348, 349,
 &end
#
# 22  ILE  HN    22  ILE  QD1      5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 341,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2= 354, 355, 356,
 &end
#
# 22  ILE  HB    23  PHE  HN      4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 360, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 22  ILE  QG2    23  PHE  HN      4.32
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 5.19, r4= 5.69,
 igr1= 347, 348, 349,
 &end
#
# 22  ILE  QG2    53  ILE  HN      6.62
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 835, r1= 1.30, r2= 1.80, r3= 7.95, r4= 8.45,
 igr1= 347, 348, 349,
 &end
#
# 22  ILE  QG1    23  PHE  HN      6.71
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
 igr1= 351, 352,
 &end
#
# 23  PHE  HN    23  PHE  HA      4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 362, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 23  PHE  HN    23  PHE  HB2      4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 364, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 23  PHE  HN    23  PHE  HB3      3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 365, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 23  PHE  HN    24  GLU-  HN      4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 380, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,  &end
#
# 23  PHE  HA    24  GLU-  HN      3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 380, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 23  PHE  HB2    28  LEU  HN      4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 447, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 24  GLU-  HN    24  GLU-  HA      3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 382, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 24  GLU-  HN    24  GLU-  QB      4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 384, 385,
 &end
#
# 24  GLU-  HN    27  LEU  HN      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 428, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 24  GLU-  HN    27  LEU  HN      4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 428, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 24  GLU-  HN    27  LEU  HG      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 435, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 24  GLU-  HN    27  LEU  QD2      5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 6.39, r4= 6.89,
 igr2= 441, 442, 443,
 &end
#
# 24  GLU-  HN    28  LEU  HN      4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 447, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 24  GLU-  HA    25  LYS+  HN      4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 395, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
# 24  GLU-  HA    25  LYS+  HN      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 395, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 24  GLU-  HA    27  LEU  HN      5.65
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 428, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
# 24  GLU-  QB    25  LYS+  HN      4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 384, 385,
 &end
#
# 24  GLU-  QB    26  SER  HN      4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 4.96, r4= 5.46,
 igr1= 384, 385,
 &end
#
# 24  GLU-  QB    27  LEU  HN      4.3
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 428, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr1= 384, 385,
 &end
#
# 25  LYS+  HN    25  LYS+  HA      3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 397, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 25  LYS+  HN    25  LYS+  QB      4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 395,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2= 399, 400,
 &end
#
# 25  LYS+  HN    26  SER  HN      3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 417, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 25  LYS+  HN    26  SER  HN      3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 417, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 25  LYS+  HN    26  SER  HA      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 419, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,  &end
#
# 25  LYS+  HN    27  LEU  HN      4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 428, r1= 1.30, r2= 1.80, r3= 4.54, r4= 5.04,  &end
#
# 25  LYS+  HN    27  LEU  HN      5.4
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 428, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 25  LYS+  HN    28  LEU  HN      5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 395, 447, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 25  LYS+  HA    27  LEU  HN      4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 428, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
# 26  SER  HN    26  SER  HA      3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 419, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 26  SER  HN    26  SER  QB      3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 4.33, r4= 4.83,
 igr2= 421, 422,
 &end
#
# 26  SER  HN    27  LEU  HN      3.26
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 428, r1= 1.30, r2= 1.80, r3= 3.26, r4= 3.76,  &end
#
# 26  SER  HN    27  LEU  HN      3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 428, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 26  SER  HN    27  LEU  QQD      6.2
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 434, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,  &end
#
# 26  SER  HN    28  LEU  HN      4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 447, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 26  SER  HN    28  LEU  HN      4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 447, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 26  SER  HN    29  GLU-  HN      5.78
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 466, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,  &end
#
# 27  LEU  HN    27  LEU  HA      3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 430, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 27  LEU  HN    27  LEU  QB      4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 4.67, r4= 5.17,
 igr2= 432, 433,
 &end
#
# 27  LEU  HN    27  LEU  HG      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 435, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 27  LEU  HN    27  LEU  QD1      3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 437, 438, 439,
 &end
#
# 27  LEU  HN    27  LEU  QD2      4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 5.27, r4= 5.77,
 igr2= 441, 442, 443,
 &end
#
# 27  LEU  HN    28  LEU  HN      2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 447, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 27  LEU  HN    28  LEU  HN      2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 447, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
# 27  LEU  HN    28  LEU  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 449, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 27  LEU  HN    28  LEU  QD1      6.93
 &rst
  ixpk= 0, nxpk= 0, iat= 428,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 456, 457, 458,
 &end
#
# 27  LEU  HN    29  GLU-  HN      4.16
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 466, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,  &end
#
# 27  LEU  HN    29  GLU-  HN      3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 466, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 27  LEU  HN    30  GLN  HN      4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 481, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 27  LEU  HA    28  LEU  HN      4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 447, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 27  LEU  HA    30  GLN  HN      3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 481, r1= 1.30, r2= 1.80, r3= 3.79, r4= 4.29,  &end
#
# 27  LEU  HA    31  TYR  HN      4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 498, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 27  LEU  QB    28  LEU  HN      4.14
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 447, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr1= 432, 433,
 &end
#
# 28  LEU  HN    28  LEU  HA      3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 449, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 28  LEU  HN    28  LEU  QB      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr2= 451, 452,
 &end
#
# 28  LEU  HN    28  LEU  QD1      4.97
 &rst
  ixpk= 0, nxpk= 0, iat= 447,  -1, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr2= 456, 457, 458,
 &end
#
# 28  LEU  HN    28  LEU  QQD      5.21
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 453, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,  &end
#
# 28  LEU  HN    29  GLU-  HN      2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 466, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 28  LEU  HN    29  GLU-  HN      2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 466, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 28  LEU  HN    30  GLN  HN      4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 481, r1= 1.30, r2= 1.80, r3= 4.05, r4= 4.55,  &end
#
# 28  LEU  HN    31  TYR  HN      4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 498, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 28  LEU  HA    29  GLU-  HN      4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 466, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 28  LEU  QB    29  GLU-  HN      4.23
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,
 igr1= 451, 452,
 &end
#
# 28  LEU  HG    29  GLU-  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 466, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 28  LEU  HG    31  TYR  HN      5.12
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 498, r1= 1.30, r2= 1.80, r3= 5.12, r4= 5.62,  &end
#
# 28  LEU  HG    32  VAL  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 519, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 28  LEU  QD1    29  GLU-  HN      6.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 466, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 456, 457, 458,
 &end
#
# 28  LEU  QD1    31  TYR  HN      5.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 6.76, r4= 7.26,
 igr1= 456, 457, 458,
 &end
#
# 28  LEU  QD1    40  ILE  HN      6.77
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 630, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
 igr1= 456, 457, 458,
 &end
#
# 28  LEU  QQD    29  GLU-  HN      6.14
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 466, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,  &end
#
# 28  LEU  QQD    31  TYR  HN      7.2
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 498, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
# 28  LEU  QQD    32  VAL  HN      6.98
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 519, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,  &end
#
# 28  LEU  QQD    38  ASP-  HN      8.03
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 604, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,  &end
#
# 29  GLU-  HN    29  GLU-  HA      3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 468, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 29  GLU-  HN    29  GLU-  HB2      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 470, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 29  GLU-  HN    29  GLU-  HB3      3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 471, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 29  GLU-  HN    29  GLU-  QG      4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 4.93, r4= 5.43,
 igr2= 473, 474,
 &end
#
# 29  GLU-  HN    30  GLN  HN      3.22
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 481, r1= 1.30, r2= 1.80, r3= 3.22, r4= 3.72,  &end
#
# 29  GLU-  HN    30  GLN  HN      3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 481, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 29  GLU-  HN    50  ILE  QD1      5.38
 &rst
  ixpk= 0, nxpk= 0, iat= 466,  -1, r1= 1.30, r2= 1.80, r3= 6.46, r4= 6.96,
 igr2= 798, 799, 800,
 &end
#
# 29  GLU-  HA    30  GLN  HN      3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 468, 481, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 30  GLN  HN    30  GLN  HA      3.06
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 483, r1= 1.30, r2= 1.80, r3= 3.06, r4= 3.56,  &end
#
# 30  GLN  HN    30  GLN  HB2      3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 485, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 30  GLN  HN    30  GLN  HB3      2.83
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 486, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 30  GLN  HN    30  GLN  QG      4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 488, 489,
 &end
#
# 30  GLN  HN    31  TYR  HN      2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 498, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 30  GLN  HN    31  TYR  HN      2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 498, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 30  GLN  HN    31  TYR  QB      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 5.79, r4= 6.29,
 igr2= 502, 503,
 &end
#
# 30  GLN  HN    32  VAL  HN      4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 519, r1= 1.30, r2= 1.80, r3= 4.29, r4= 4.79,  &end
#
# 30  GLN  HN    32  VAL  HN      4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 519, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 30  GLN  HN    32  VAL  QQG      6.32
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 522, r1= 1.30, r2= 1.80, r3= 6.32, r4= 6.82,  &end
#
# 30  GLN  HN    33  LYS+  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 535, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 30  GLN  HN    33  LYS+  HN      5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 535, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 30  GLN  HN    33  LYS+  QD      5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 481,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 545, 546,
 &end
#
# 30  GLN  HA    31  TYR  HN      3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 483, 498, r1= 1.30, r2= 1.80, r3= 3.98, r4= 4.48,  &end
#
# 30  GLN  HB2    31  TYR  HN      3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 498, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 30  GLN  HB3    31  TYR  HN      3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 486, 498, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 30  GLN  QG    31  TYR  HN      5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 498, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr1= 488, 489,
 &end
#
# 31  TYR  HN    31  TYR  HA      3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 500, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 31  TYR  HN    31  TYR  QB      3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 498,  -1, r1= 1.30, r2= 1.80, r3= 4.16, r4= 4.66,
 igr2= 502, 503,
 &end
#
# 31  TYR  HN    32  VAL  HN      2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 519, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 31  TYR  HN    32  VAL  HN      2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 519, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 31  TYR  HN    32  VAL  HA      5.22
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 521, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,  &end
#
# 31  TYR  HN    32  VAL  HB      4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 523, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 31  TYR  HN    33  LYS+  HN      4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 535, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 31  TYR  HA    32  VAL  HN      3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 519, r1= 1.30, r2= 1.80, r3= 3.48, r4= 3.98,  &end
#
# 31  TYR  QB    32  VAL  HN      4.02
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 519, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,
 igr1= 502, 503,
 &end
#
# 31  TYR  QB    33  LYS+  HN      5.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 535, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr1= 502, 503,
 &end
#
# 31  TYR  QR    37  ASN  HN      8.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 590, r1= 1.30, r2= 1.80, r3=10.57, r4=11.07,
 igr1= 506, 515, 508, 513,
 &end
#
# 32  VAL  HN    32  VAL  HA      3.09
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 521, r1= 1.30, r2= 1.80, r3= 3.09, r4= 3.59,  &end
#
# 32  VAL  HN    32  VAL  HB      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 523, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 32  VAL  HN    32  VAL  QQG      5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 522, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,  &end
#
# 32  VAL  HN    33  LYS+  HN      2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 535, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 32  VAL  HN    33  LYS+  HN      2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 535, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 32  VAL  HN    33  LYS+  QD      6.16
 &rst
  ixpk= 0, nxpk= 0, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2= 545, 546,
 &end
#
# 32  VAL  HA    33  LYS+  HN      4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 535, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,  &end
#
# 32  VAL  HA    34  ASP-  HN      4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 557, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 32  VAL  HA    35  THR  HN      3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 569, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 32  VAL  HA    36  GLY  HN      2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 583, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
# 32  VAL  HA    37  ASN  HN      3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 590, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 32  VAL  HA    45  LEU  HN      5.4
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 706, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,  &end
#
# 32  VAL  HA    46  SER  HN      5.53
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 725, r1= 1.30, r2= 1.80, r3= 5.53, r4= 6.03,  &end
#
# 32  VAL  HA    47  ILE  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 736, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 32  VAL  HB    36  GLY  HN      4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 583, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
# 32  VAL  QQG    33  LYS+  HN      6.63
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 535, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,  &end
#
# 32  VAL  QQG    34  ASP-  HN      8.02
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 557, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,  &end
#
# 32  VAL  QQG    36  GLY  HN      7.99
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 583, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,  &end
#
# 32  VAL  QQG    37  ASN  HN      8.02
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 590, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,  &end
#
# 32  VAL  QQG    45  LEU  HN      6.66
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 706, r1= 1.30, r2= 1.80, r3= 6.66, r4= 7.16,  &end
#
# 32  VAL  QQG    46  SER  HN      6.26
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 725, r1= 1.30, r2= 1.80, r3= 6.26, r4= 6.76,  &end
#
# 33  LYS+  HN    33  LYS+  HA      3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 537, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 33  LYS+  HN    33  LYS+  QB      4.05
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 4.55, r4= 5.05,
 igr2= 539, 540,
 &end
#
# 33  LYS+  HN    33  LYS+  QG      4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 542, 543,
 &end
#
# 33  LYS+  HN    33  LYS+  QD      4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr2= 545, 546,
 &end
#
# 33  LYS+  HN    33  LYS+  QE      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 548, 549,
 &end
#
# 33  LYS+  HN    34  ASP-  HN      2.86
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 557, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 33  LYS+  HN    34  ASP-  HB2      5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 561, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 33  LYS+  HN    34  ASP-  HB3      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 562, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 33  LYS+  HN    35  THR  HN      4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 569, r1= 1.30, r2= 1.80, r3= 4.75, r4= 5.25,  &end
#
# 33  LYS+  HN    36  GLY  HN      4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 583, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 33  LYS+  HN    36  GLY  HA1      4.6
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 585, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 33  LYS+  HN    47  ILE  QD1      6.93
 &rst
  ixpk= 0, nxpk= 0, iat= 535,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 749, 750, 751,
 &end
#
# 33  LYS+  QG    34  ASP-  HN      3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 557, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 542, 543,
 &end
#
# 34  ASP-  HN    35  THR  HN      3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 569, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 34  ASP-  HN    35  THR  HN      2.83
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 569, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 34  ASP-  HN    36  GLY  HN      3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 583, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 34  ASP-  HN    36  GLY  QA      4.7
 &rst
  ixpk= 0, nxpk= 0, iat= 557,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr2= 585, 586,
 &end
#
# 34  ASP-  HB2    35  THR  HN      2.95
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 569, r1= 1.30, r2= 1.80, r3= 2.95, r4= 3.45,  &end
#
# 34  ASP-  HB2    36  GLY  HN      4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 583, r1= 1.30, r2= 1.80, r3= 4.18, r4= 4.68,  &end
#
# 34  ASP-  HB3    35  THR  HN      3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 569, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 34  ASP-  HB3    36  GLY  HN      4.2
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 583, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 35  THR  HN    35  THR  HA      3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 571, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 35  THR  HN    35  THR  QG2      3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 4.64, r4= 5.14,
 igr2= 575, 576, 577,
 &end
#
# 35  THR  HN    36  GLY  QA      4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr2= 585, 586,
 &end
#
# 35  THR  HN    36  GLY  QA      4.3
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 585, 586,
 &end
#
# 35  THR  HA    37  ASN  HN      4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 590, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 35  THR  QG2    36  GLY  HN      4.79
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 583, r1= 1.30, r2= 1.80, r3= 5.75, r4= 6.25,
 igr1= 575, 576, 577,
 &end
#
# 35  THR  QG2    37  ASN  HN      4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 590, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 575, 576, 577,
 &end
#
# 36  GLY  HN    36  GLY  HA1      3
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 585, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 36  GLY  HN    36  GLY  HA2      3.2
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 586, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 36  GLY  HN    37  ASN  HN      3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 590, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 36  GLY  HN    45  LEU  HN      5
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 706, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
# 36  GLY  HA1    37  ASN  HN      3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 590, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,  &end
#
# 36  GLY  HA1    45  LEU  HN      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 706, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,  &end
#
# 36  GLY  HA2    37  ASN  HN      3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 590, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 36  GLY  HA2    45  LEU  HN      4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 706, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 37  ASN  HN    37  ASN  HA      3.39
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 592, r1= 1.30, r2= 1.80, r3= 3.39, r4= 3.89,  &end
#
# 37  ASN  HN    38  ASP-  HN      4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 604, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,  &end
#
# 37  ASN  HN    42  ASN  HB2      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 667, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 37  ASN  HN    44  PRO  HA      5.09
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 702, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,  &end
#
# 37  ASN  HN    45  LEU  HN      3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 706, r1= 1.30, r2= 1.80, r3= 3.88, r4= 4.38,  &end
#
# 37  ASN  HN    45  LEU  HN      4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 706, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 37  ASN  HA    38  ASP-  HN      2.83
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 604, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 37  ASN  HA    42  ASN  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 663, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 37  ASN  HA    43  GLU-  HN      4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 677, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,  &end
#
# 37  ASN  HA    45  LEU  HN      2.83
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 706, r1= 1.30, r2= 1.80, r3= 2.83, r4= 3.33,  &end
#
# 37  ASN  HA    46  SER  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 725, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 37  ASN  HB3    38  ASP-  HN      3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 604, r1= 1.30, r2= 1.80, r3= 3.71, r4= 4.21,  &end
#
# 37  ASN  HB3    42  ASN  HN      5.71
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 663, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
# 37  ASN  HB3    43  GLU-  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 677, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 38  ASP-  HN    38  ASP-  HA      3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 606, r1= 1.30, r2= 1.80, r3= 3.25, r4= 3.75,  &end
#
# 38  ASP-  HN    38  ASP-  HB2      2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 608, r1= 1.30, r2= 1.80, r3= 2.92, r4= 3.42,  &end
#
# 38  ASP-  HN    38  ASP-  HB3      3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 609, r1= 1.30, r2= 1.80, r3= 3.59, r4= 4.09,  &end
#
# 38  ASP-  HN    40  ILE  HN      5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 630, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,  &end
#
# 38  ASP-  HN    42  ASN  HN      4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 663, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 38  ASP-  HN    43  GLU-  HN      3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 677, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 38  ASP-  HN    45  LEU  HN      4.35
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 706, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 38  ASP-  HN    45  LEU  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 706, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 38  ASP-  HB2    40  ILE  HN      4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 630, r1= 1.30, r2= 1.80, r3= 4.07, r4= 4.57,  &end
#
# 38  ASP-  HB2    41  THR  HN      3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 649, r1= 1.30, r2= 1.80, r3= 3.57, r4= 4.07,  &end
#
# 38  ASP-  HB2    43  GLU-  HN      3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 677, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
# 38  ASP-  HB3    42  ASN  HN      4.1
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 663, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 38  ASP-  HB3    43  GLU-  HN      4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 677, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,  &end
#
# 40  ILE  HN    40  ILE  HA      3.19
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 632, r1= 1.30, r2= 1.80, r3= 3.19, r4= 3.69,  &end
#
# 40  ILE  HN    40  ILE  HB      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 634, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 40  ILE  HN    40  ILE  QG2      6.93
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 636, 637, 638,
 &end
#
# 40  ILE  HN    40  ILE  QG1      4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 640, 641,
 &end
#
# 40  ILE  HN    40  ILE  QD1      3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 630,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 643, 644, 645,
 &end
#
# 40  ILE  HN    41  THR  HN      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 649, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 40  ILE  HN    41  THR  HN      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 649, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 40  ILE  HN    42  ASN  HN      3.33
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 663, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,  &end
#
# 40  ILE  HN    42  ASN  HN      3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 663, r1= 1.30, r2= 1.80, r3= 3.30, r4= 3.80,  &end
#
# 40  ILE  HN    43  GLU-  HN      4.92
 &rst
  ixpk= 0, nxpk= 0, iat= 630, 677, r1= 1.30, r2= 1.80, r3= 4.92, r4= 5.42,  &end
#
# 40  ILE  HA    41  THR  HN      3.68
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 649, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,  &end
#
# 40  ILE  HA    42  ASN  HN      4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 663, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,  &end
#
# 40  ILE  HB    41  THR  HN      2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 649, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 40  ILE  QG2    41  THR  HN      4.63
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 649, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 636, 637, 638,
 &end
#
# 40  ILE  QG1    42  ASN  HN      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 640, 641,
 &end
#
# 41  THR  HN    41  THR  HA      3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 649, 651, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 41  THR  HN    41  THR  QG2      3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 649,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 655, 656, 657,
 &end
#
# 41  THR  HN    41  THR  HG1      5.87
 &rst
  ixpk= 0, nxpk= 0, iat= 649, 659, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
# 41  THR  HN    42  ASN  HN      3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 649, 663, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 41  THR  HN    42  ASN  HN      2.86
 &rst
  ixpk= 0, nxpk= 0, iat= 649, 663, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 41  THR  HN    43  GLU-  HN      3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 649, 677, r1= 1.30, r2= 1.80, r3= 3.85, r4= 4.35,  &end
#
# 41  THR  HN    43  GLU-  HN      4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 649, 677, r1= 1.30, r2= 1.80, r3= 4.26, r4= 4.76,  &end
#
# 41  THR  QG2    42  ASN  HN      4.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 663, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,
 igr1= 655, 656, 657,
 &end
#
# 41  THR  QG2    43  GLU-  HN      4.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 677, r1= 1.30, r2= 1.80, r3= 5.97, r4= 6.47,
 igr1= 655, 656, 657,
 &end
#
# 41  THR  HG1    42  ASN  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 663, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 41  THR  HG1    43  GLU-  HN      4.04
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 677, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,  &end
#
# 42  ASN  HN    42  ASN  HA      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 665, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 42  ASN  HN    42  ASN  HB2      3.67
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 667, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
# 42  ASN  HN    42  ASN  HB3      3.51
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 668, r1= 1.30, r2= 1.80, r3= 3.51, r4= 4.01,  &end
#
# 42  ASN  HN    43  GLU-  HN      3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 677, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 42  ASN  HN    43  GLU-  HN      3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 677, r1= 1.30, r2= 1.80, r3= 3.05, r4= 3.55,  &end
#
# 42  ASN  HN    43  GLU-  QB      5.82
 &rst
  ixpk= 0, nxpk= 0, iat= 663,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr2= 681, 682,
 &end
#
# 42  ASN  HA    43  GLU-  HN      3.73
 &rst
  ixpk= 0, nxpk= 0, iat= 665, 677, r1= 1.30, r2= 1.80, r3= 3.73, r4= 4.23,  &end
#
# 42  ASN  HB2    43  GLU-  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 667, 677, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 43  GLU-  HN    43  GLU-  HA      3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 677, 679, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,  &end
#
# 43  GLU-  HN    43  GLU-  QB      4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 677,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr2= 681, 682,
 &end
#
# 43  GLU-  HN    43  GLU-  HG2      3
 &rst
  ixpk= 0, nxpk= 0, iat= 677, 684, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 43  GLU-  HN    43  GLU-  HG3      3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 677, 685, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 45  LEU  HN    45  LEU  HA      2.99
 &rst
  ixpk= 0, nxpk= 0, iat= 706, 708, r1= 1.30, r2= 1.80, r3= 2.99, r4= 3.49,  &end
#
# 45  LEU  HN    45  LEU  QB      4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 706,  -1, r1= 1.30, r2= 1.80, r3= 4.65, r4= 5.15,
 igr2= 710, 711,
 &end
#
# 45  LEU  HN    45  LEU  HG      4.1
 &rst
  ixpk= 0, nxpk= 0, iat= 706, 713, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 45  LEU  HN    45  LEU  QQD      6.3
 &rst
  ixpk= 0, nxpk= 0, iat= 706, 712, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,  &end
#
# 45  LEU  HA    46  SER  HN      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 725, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 45  LEU  HA    47  ILE  HN      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 736, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 45  LEU  HG    46  SER  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 713, 725, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 46  SER  HN    46  SER  HA      3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 727, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
# 46  SER  HN    46  SER  HB2      3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 729, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
# 46  SER  HN    46  SER  HB3      3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 730, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 46  SER  HN    47  ILE  HN      4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 736, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 46  SER  HN    47  ILE  HN      4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 736, r1= 1.30, r2= 1.80, r3= 4.01, r4= 4.51,  &end
#
# 46  SER  HN    47  ILE  HB      4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 740, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 46  SER  HN    47  ILE  QG2      5.01
 &rst
  ixpk= 0, nxpk= 0, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 6.02, r4= 6.52,
 igr2= 742, 743, 744,
 &end
#
# 46  SER  HN    47  ILE  QG1      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 746, 747,
 &end
#
# 46  SER  HN    49  GLU-  HN      4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 770, r1= 1.30, r2= 1.80, r3= 4.36, r4= 4.86,  &end
#
# 46  SER  HN    49  GLU-  HN      4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 725, 770, r1= 1.30, r2= 1.80, r3= 4.39, r4= 4.89,  &end
#
# 46  SER  HN    49  GLU-  QB      4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 725,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr2= 774, 775,
 &end
#
# 46  SER  HA    47  ILE  HN      4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 736, r1= 1.30, r2= 1.80, r3= 4.13, r4= 4.63,  &end
#
# 46  SER  HA    48  GLU-  HN      4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 755, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 46  SER  HB2    47  ILE  HN      3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 736, r1= 1.30, r2= 1.80, r3= 3.35, r4= 3.85,  &end
#
# 47  ILE  HN    47  ILE  HA      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 738, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 47  ILE  HN    47  ILE  HB      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 740, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 47  ILE  HN    47  ILE  QG2      3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,
 igr2= 742, 743, 744,
 &end
#
# 47  ILE  HN    47  ILE  QG1      4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr2= 746, 747,
 &end
#
# 47  ILE  HN    47  ILE  QD1      3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 749, 750, 751,
 &end
#
# 47  ILE  HN    49  GLU-  HN      4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 770, r1= 1.30, r2= 1.80, r3= 4.19, r4= 4.69,  &end
#
# 47  ILE  HN    49  GLU-  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 736,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 774, 775,
 &end
#
# 47  ILE  HN    50  ILE  HB      4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 736, 789, r1= 1.30, r2= 1.80, r3= 4.47, r4= 4.97,  &end
#
# 47  ILE  HA    48  GLU-  HN      3.43
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 755, r1= 1.30, r2= 1.80, r3= 3.43, r4= 3.93,  &end
#
# 47  ILE  HA    49  GLU-  HN      3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 738, 770, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 47  ILE  QG2    48  GLU-  HN      5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 6.09, r4= 6.59,
 igr1= 742, 743, 744,
 &end
#
# 47  ILE  QG1    48  GLU-  HN      5.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 755, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 746, 747,
 &end
#
# 47  ILE  QG1    49  GLU-  HN      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 770, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 746, 747,
 &end
#
# 48  GLU-  HN    48  GLU-  HA      2.86
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 757, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 48  GLU-  HN    48  GLU-  HB2      2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 759, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 48  GLU-  HN    48  GLU-  HG2      2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 762, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 48  GLU-  HN    49  GLU-  HN      2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 770, r1= 1.30, r2= 1.80, r3= 2.89, r4= 3.39,  &end
#
# 48  GLU-  HN    49  GLU-  HN      3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 770, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 48  GLU-  HN    50  ILE  HN      3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 755, 785, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,  &end
#
# 49  GLU-  HN    49  GLU-  HA      3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 772, r1= 1.30, r2= 1.80, r3= 3.03, r4= 3.53,  &end
#
# 49  GLU-  HN    49  GLU-  QB      3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 4.30, r4= 4.80,
 igr2= 774, 775,
 &end
#
# 49  GLU-  HN    50  ILE  HN      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 785, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 49  GLU-  HN    50  ILE  HN      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 785, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 49  GLU-  HN    50  ILE  QG2      4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 770,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr2= 791, 792, 793,
 &end
#
# 49  GLU-  HA    50  ILE  HN      3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 772, 785, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 49  GLU-  QB    50  ILE  HN      4.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 785, r1= 1.30, r2= 1.80, r3= 5.24, r4= 5.74,
 igr1= 774, 775,
 &end
#
# 50  ILE  HN    50  ILE  HA      2.86
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 787, r1= 1.30, r2= 1.80, r3= 2.86, r4= 3.36,  &end
#
# 50  ILE  HN    50  ILE  HB      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 789, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 50  ILE  HN    50  ILE  QG2      4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 4.97, r4= 5.47,
 igr2= 791, 792, 793,
 &end
#
# 50  ILE  HN    50  ILE  QG1      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 795, 796,
 &end
#
# 50  ILE  HN    50  ILE  QD1      5.1
 &rst
  ixpk= 0, nxpk= 0, iat= 785,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 798, 799, 800,
 &end
#
# 50  ILE  HN    51  VAL  HN      4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 804, r1= 1.30, r2= 1.80, r3= 4.38, r4= 4.88,  &end
#
# 50  ILE  HA    51  VAL  HN      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 787, 804, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 51  VAL  HN    51  VAL  HA      3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 806, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 51  VAL  HN    51  VAL  HB      2.8
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 808, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
# 51  VAL  HN    51  VAL  QG1      4.02
 &rst
  ixpk= 0, nxpk= 0, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 4.83, r4= 5.33,
 igr2= 810, 811, 812,
 &end
#
# 51  VAL  HN    51  VAL  QG2      3.93
 &rst
  ixpk= 0, nxpk= 0, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 814, 815, 816,
 &end
#
# 51  VAL  HN    52  GLU-  HN      4.23
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 820, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,  &end
#
# 51  VAL  QG1    52  GLU-  HN      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 810, 811, 812,
 &end
#
# 51  VAL  QG2    52  GLU-  HN      4.6
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 5.52, r4= 6.02,
 igr1= 814, 815, 816,
 &end
#
# 52  GLU-  HN    52  GLU-  QB      4.08
 &rst
  ixpk= 0, nxpk= 0, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2= 824, 825,
 &end
#
# 52  GLU-  HN    52  GLU-  QG      6.71
 &rst
  ixpk= 0, nxpk= 0, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 7.53, r4= 8.03,
 igr2= 827, 828,
 &end
#
# 52  GLU-  HA    53  ILE  HN      3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 822, 835, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 53  ILE  HN    53  ILE  HA      4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 835, 837, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 53  ILE  HN    53  ILE  HB      3.54
 &rst
  ixpk= 0, nxpk= 0, iat= 835, 839, r1= 1.30, r2= 1.80, r3= 3.54, r4= 4.04,  &end
#
# 1  MET  QE    22  ILE  QG2      6.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.14, r4= 9.64,
 igr1=  13,  14,  15,
 igr2= 347, 348, 349,
 &end
#
# 1  MET  QE    22  ILE  QD1      7.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.48, r4=11.98,
 igr1=  13,  14,  15,
 igr2= 354, 355, 356,
 &end
#
# 2  LEU  HA    22  ILE  HB      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  21, 345, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 2  LEU  QB    3  CYS  HA      5.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  40, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=  23,  24,
 &end
#
# 3  CYS  HA    5  ILE  QD1      5.75
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 6.91, r4= 7.41,
 igr2=  72,  73,  74,
 &end
#
# 3  CYS  HA    23  PHE  HA      3.08
 &rst
  ixpk= 0, nxpk= 0, iat=  40, 362, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 3  CYS  HA    23  PHE  HD1      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  40, 368, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  HA    23  PHE  HD2      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  40, 376, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  HB2    5  ILE  HB      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  63, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  HB2    5  ILE  QD1      6.93
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2=  72,  73,  74,
 &end
#
# 3  CYS  HB2    23  PHE  HA      5.7
 &rst
  ixpk= 0, nxpk= 0, iat=  42, 362, r1= 1.30, r2= 1.80, r3= 5.70, r4= 6.20,  &end
#
# 3  CYS  HB2    24  GLU-  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  42, 382, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  HB3    5  ILE  HB      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  63, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  HB3    5  ILE  QD1      6.93
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2=  72,  73,  74,
 &end
#
# 3  CYS  HB3    23  PHE  HA      5.5
 &rst
  ixpk= 0, nxpk= 0, iat=  43, 362, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
# 3  CYS  HB3    24  GLU-  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  43, 382, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  QB    23  PHE  HA      5.27
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 362, r1= 1.30, r2= 1.80, r3= 5.92, r4= 6.42,
 igr1=  42,  43,
 &end
#
# 3  CYS  QB    24  GLU-  QB      7.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.64, r4=10.14,
 igr1=  42,  43,
 igr2= 384, 385,
 &end
#
# 4  ALA  HA    21  THR  HB      5.34
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 331, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 4  ALA  HA    21  THR  QG2      5.1
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr2= 333, 334, 335,
 &end
#
# 4  ALA  HA    23  PHE  HE1      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 370, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 4  ALA  QB    21  THR  HA      6.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 329, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1=  53,  54,  55,
 &end
#
# 4  ALA  QB    21  THR  HB      4.54
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 331, r1= 1.30, r2= 1.80, r3= 5.45, r4= 5.95,
 igr1=  53,  54,  55,
 &end
#
# 4  ALA  QB    21  THR  QG2      5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.76, r4= 8.26,
 igr1=  53,  54,  55,
 igr2= 333, 334, 335,
 &end
#
# 4  ALA  QB    23  PHE  HE1      6.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,
 igr1=  53,  54,  55,
 &end
#
# 4  ALA  QB    23  PHE  HZ      6.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  53,  54,  55,
 &end
#
# 5  ILE  HA    5  ILE  HB      3.2
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  63, r1= 1.30, r2= 1.80, r3= 3.20, r4= 3.70,  &end
#
# 5  ILE  HA    5  ILE  QD1      5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr2=  72,  73,  74,
 &end
#
# 5  ILE  HA    23  PHE  HD1      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  61, 368, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 5  ILE  HB    6  SER  HA      5.65
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  80, r1= 1.30, r2= 1.80, r3= 5.65, r4= 6.15,  &end
#
# 5  ILE  HB    23  PHE  HD1      5.87
 &rst
  ixpk= 0, nxpk= 0, iat=  63, 368, r1= 1.30, r2= 1.80, r3= 5.87, r4= 6.37,  &end
#
# 5  ILE  HB    23  PHE  HD2      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  63, 376, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 5  ILE  HB    31  TYR  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 502, 503,
 &end
#
# 5  ILE  QG2    6  SER  HA      3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  80, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr1=  65,  66,  67,
 &end
#
# 5  ILE  QG2    6  SER  QB      7.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.23, r4=10.73,
 igr1=  65,  66,  67,
 igr2=  82,  83,
 &end
#
# 5  ILE  QG1    6  SER  HA      6.22
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  80, r1= 1.30, r2= 1.80, r3= 6.98, r4= 7.48,
 igr1=  69,  70,
 &end
#
# 5  ILE  QG1    6  SER  QB      6.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.39, r4= 8.89,
 igr1=  69,  70,
 igr2=  82,  83,
 &end
#
# 5  ILE  QG1    23  PHE  HD1      6.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr1=  69,  70,
 &end
#
# 5  ILE  QD1    23  PHE  QB      6.01
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.10, r4= 8.60,
 igr1=  72,  73,  74,
 igr2= 364, 365,
 &end
#
# 5  ILE  QD1    23  PHE  HD1      5.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 6.16, r4= 6.66,
 igr1=  72,  73,  74,
 &end
#
# 5  ILE  QD1    23  PHE  HD2      5.7
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 376, r1= 1.30, r2= 1.80, r3= 6.85, r4= 7.35,
 igr1=  72,  73,  74,
 &end
#
# 5  ILE  QD1    27  LEU  HA      6.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 430, r1= 1.30, r2= 1.80, r3= 7.99, r4= 8.49,
 igr1=  72,  73,  74,
 &end
#
# 5  ILE  QD1    28  LEU  HA      5.19
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 6.23, r4= 6.73,
 igr1=  72,  73,  74,
 &end
#
# 6  SER  HA    7  GLY  QA      4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  -1, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr2=  91,  92,
 &end
#
# 6  SER  HA    8  LYS+  QD      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  80,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 106, 107,
 &end
#
# 6  SER  QB    8  LYS+  QB      7.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.64, r4=10.14,
 igr1=  82,  83,
 igr2= 100, 101,
 &end
#
# 6  SER  QB    8  LYS+  QD      7.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.64, r4=10.14,
 igr1=  82,  83,
 igr2= 106, 107,
 &end
#
# 7  GLY  HA1    8  LYS+  QD      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 106, 107,
 &end
#
# 7  GLY  HA1    23  PHE  HB2      7.65
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 364, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,  &end
#
# 7  GLY  HA1    23  PHE  HB3      7.65
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 365, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,  &end
#
# 7  GLY  HA1    27  LEU  QQD      8.03
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 434, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,  &end
#
# 7  GLY  HA2    8  LYS+  QD      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 106, 107,
 &end
#
# 7  GLY  HA2    23  PHE  HB3      7.65
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 365, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,  &end
#
# 7  GLY  HA2    27  LEU  QQD      8.03
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 434, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,  &end
#
# 7  GLY  QA    23  PHE  QB      6.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.47, r4= 8.97,
 igr1=  91,  92,
 igr2= 364, 365,
 &end
#
# 8  LYS+  HA    8  LYS+  HB2      3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  98, 100, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 8  LYS+  HA    8  LYS+  HB3      3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  98, 101, r1= 1.30, r2= 1.80, r3= 3.42, r4= 3.92,  &end
#
# 8  LYS+  HA    8  LYS+  QD      5.26
 &rst
  ixpk= 0, nxpk= 0, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 106, 107,
 &end
#
# 8  LYS+  HA    8  LYS+  QE      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  98,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 109, 110,
 &end
#
# 8  LYS+  HB2    8  LYS+  QE      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 100,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 109, 110,
 &end
#
# 8  LYS+  HB3    8  LYS+  QE      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 101,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 109, 110,
 &end
#
# 9  VAL  QQG    10  PRO  QD      7.63
 &rst
  ixpk= 0, nxpk= 0, iat= 121,  -1, r1= 1.30, r2= 1.80, r3= 8.56, r4= 9.06,
 igr2= 135, 136,
 &end
#
# 10  PRO  HA    24  GLU-  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 144,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 384, 385,
 &end
#
# 11  ARG+  HA    11  ARG+  QD      5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr2= 158, 159,
 &end
#
# 12  ARG+  HA    12  ARG+  QD      6.28
 &rst
  ixpk= 0, nxpk= 0, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr2= 182, 183,
 &end
#
# 12  ARG+  HA    13  PRO  HD2      3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 197, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 12  ARG+  HA    13  PRO  HD3      3.64
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 198, r1= 1.30, r2= 1.80, r3= 3.64, r4= 4.14,  &end
#
# 12  ARG+  HA    13  PRO  QD      3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 174,  -1, r1= 1.30, r2= 1.80, r3= 3.65, r4= 4.15,
 igr2= 197, 198,
 &end
#
# 12  ARG+  HA    14  VAL  QQG      8.02
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 213, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,  &end
#
# 13  PRO  HA    14  VAL  QQG      8.02
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 213, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,  &end
#
# 14  VAL  HA    14  VAL  HB      3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 214, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 14  VAL  HA    15  LEU  QQD      7.57
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 232, r1= 1.30, r2= 1.80, r3= 7.57, r4= 8.07,  &end
#
# 14  VAL  HA    52  GLU-  HA      3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 822, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 14  VAL  HB    28  LEU  QQD      8.5
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 453, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00,  &end
#
# 14  VAL  HB    52  GLU-  HA      4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 822, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 14  VAL  QG1    28  LEU  QD1      11.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.98, r4=16.48,
 igr1= 216, 217, 218,
 igr2= 456, 457, 458,
 &end
#
# 14  VAL  QG1    28  LEU  QD2      11.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.98, r4=16.48,
 igr1= 216, 217, 218,
 igr2= 460, 461, 462,
 &end
#
# 14  VAL  QG2    28  LEU  QD1      11.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.98, r4=16.48,
 igr1= 220, 221, 222,
 igr2= 456, 457, 458,
 &end
#
# 14  VAL  QG2    28  LEU  QD2      11.08
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.98, r4=16.48,
 igr1= 220, 221, 222,
 igr2= 460, 461, 462,
 &end
#
# 14  VAL  QQG    23  PHE  QB      8.19
 &rst
  ixpk= 0, nxpk= 0, iat= 213,  -1, r1= 1.30, r2= 1.80, r3= 9.19, r4= 9.69,
 igr2= 364, 365,
 &end
#
# 14  VAL  QQG    23  PHE  HD1      8.49
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 368, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,  &end
#
# 14  VAL  QQG    23  PHE  HD2      8.49
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 376, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,  &end
#
# 14  VAL  QQG    25  LYS+  HA      5.33
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 397, r1= 1.30, r2= 1.80, r3= 5.33, r4= 5.83,  &end
#
# 14  VAL  QQG    28  LEU  QQD      8.66
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 453, r1= 1.30, r2= 1.80, r3= 8.66, r4= 9.16,  &end
#
# 15  LEU  HA    15  LEU  HG      3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 233, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,  &end
#
# 15  LEU  HA    22  ILE  HA      3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 343, r1= 1.30, r2= 1.80, r3= 3.23, r4= 3.73,  &end
#
# 15  LEU  HA    22  ILE  HB      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 345, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 15  LEU  HA    23  PHE  HD1      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 368, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 15  LEU  HA    23  PHE  HD2      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 376, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 15  LEU  HA    51  VAL  HB      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 808, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 15  LEU  HA    51  VAL  QQG      7.62
 &rst
  ixpk= 0, nxpk= 0, iat= 228, 807, r1= 1.30, r2= 1.80, r3= 7.62, r4= 8.12,  &end
#
# 15  LEU  HB2    22  ILE  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 230, 343, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 15  LEU  HB2    51  VAL  QG1      7.72
 &rst
  ixpk= 0, nxpk= 0, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 9.27, r4= 9.77,
 igr2= 810, 811, 812,
 &end
#
# 15  LEU  HB2    51  VAL  QG2      7.72
 &rst
  ixpk= 0, nxpk= 0, iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 9.27, r4= 9.77,
 igr2= 814, 815, 816,
 &end
#
# 15  LEU  HB3    22  ILE  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 231, 343, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 15  LEU  HB3    51  VAL  QG1      7.72
 &rst
  ixpk= 0, nxpk= 0, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 9.27, r4= 9.77,
 igr2= 810, 811, 812,
 &end
#
# 15  LEU  HB3    51  VAL  QG2      7.72
 &rst
  ixpk= 0, nxpk= 0, iat= 231,  -1, r1= 1.30, r2= 1.80, r3= 9.27, r4= 9.77,
 igr2= 814, 815, 816,
 &end
#
# 15  LEU  QB    51  VAL  HB      4.76
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 808, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 230, 231,
 &end
#
# 15  LEU  QB    51  VAL  QQG      6.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1= 230, 231,
 &end
#
# 15  LEU  QQD    21  THR  HA      8.5
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 329, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00,  &end
#
# 15  LEU  QQD    51  VAL  HB      6.27
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 808, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,  &end
#
# 15  LEU  QQD    51  VAL  HB      6.27
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 808, r1= 1.30, r2= 1.80, r3= 6.27, r4= 6.77,  &end
#
# 16  SER  HA    23  PHE  HZ      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 372, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 16  SER  HA    23  PHE  HE2      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 374, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 16  SER  HA    49  GLU-  QG      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 777, 778,
 &end
#
# 16  SER  HA    50  ILE  HA      4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 787, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,  &end
#
# 16  SER  HB2    23  PHE  HZ      4.6
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 372, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 16  SER  HB2    23  PHE  HE2      4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 374, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 16  SER  HB2    50  ILE  QD1      6.18
 &rst
  ixpk= 0, nxpk= 0, iat= 249,  -1, r1= 1.30, r2= 1.80, r3= 7.42, r4= 7.92,
 igr2= 798, 799, 800,
 &end
#
# 16  SER  HB3    23  PHE  HZ      4.6
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 372, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,  &end
#
# 16  SER  HB3    23  PHE  HE2      4.82
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 374, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
# 16  SER  HB3    50  ILE  QD1      6.28
 &rst
  ixpk= 0, nxpk= 0, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
 igr2= 798, 799, 800,
 &end
#
# 16  SER  QB    23  PHE  HZ      4.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 249, 250,
 &end
#
# 16  SER  QB    23  PHE  HE2      4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 5.03, r4= 5.53,
 igr1= 249, 250,
 &end
#
# 16  SER  QB    28  LEU  QQD      9.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 453, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
 igr1= 249, 250,
 &end
#
# 16  SER  QB    28  LEU  QQD      9.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 453, r1= 1.30, r2= 1.80, r3=10.52, r4=11.02,
 igr1= 249, 250,
 &end
#
# 16  SER  QB    50  ILE  QD1      5.97
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.05, r4= 8.55,
 igr1= 249, 250,
 igr2= 798, 799, 800,
 &end
#
# 18  LYS+  HA    18  LYS+  QE      5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 6.45, r4= 6.95,
 igr2= 283, 284,
 &end
#
# 21  THR  HA    22  ILE  HB      5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 329, 345, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 21  THR  HA    22  ILE  QG2      5.97
 &rst
  ixpk= 0, nxpk= 0, iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 7.17, r4= 7.67,
 igr2= 347, 348, 349,
 &end
#
# 21  THR  HB    23  PHE  HE1      5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 370, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,  &end
#
# 21  THR  QG2    23  PHE  HE1      5.66
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 333, 334, 335,
 &end
#
# 21  THR  QG2    23  PHE  HZ      5.69
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 372, r1= 1.30, r2= 1.80, r3= 6.83, r4= 7.33,
 igr1= 333, 334, 335,
 &end
#
# 22  ILE  HA    22  ILE  QD1      5.16
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 6.20, r4= 6.70,
 igr2= 354, 355, 356,
 &end
#
# 22  ILE  HA    23  PHE  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 362, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 22  ILE  HA    23  PHE  HD1      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 368, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 22  ILE  HA    23  PHE  HD2      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 376, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 23  PHE  HA    23  PHE  HD1      5.59
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 368, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,  &end
#
# 23  PHE  HA    23  PHE  HD2      5.71
 &rst
  ixpk= 0, nxpk= 0, iat= 362, 376, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,  &end
#
# 23  PHE  HB2    28  LEU  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 451, 452,
 &end
#
# 23  PHE  HB2    28  LEU  QD1      6.8
 &rst
  ixpk= 0, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2= 456, 457, 458,
 &end
#
# 23  PHE  HB2    28  LEU  QD2      6.8
 &rst
  ixpk= 0, nxpk= 0, iat= 364,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2= 460, 461, 462,
 &end
#
# 23  PHE  HB3    28  LEU  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 451, 452,
 &end
#
# 23  PHE  HB3    28  LEU  QD1      6.8
 &rst
  ixpk= 0, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2= 456, 457, 458,
 &end
#
# 23  PHE  HB3    28  LEU  QD2      6.8
 &rst
  ixpk= 0, nxpk= 0, iat= 365,  -1, r1= 1.30, r2= 1.80, r3= 8.17, r4= 8.67,
 igr2= 460, 461, 462,
 &end
#
# 23  PHE  QB    28  LEU  HA      4.64
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 449, r1= 1.30, r2= 1.80, r3= 5.21, r4= 5.71,
 igr1= 364, 365,
 &end
#
# 23  PHE  QB    28  LEU  QQD      5.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 364, 365,
 &end
#
# 23  PHE  QB    28  LEU  QQD      5.85
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 364, 365,
 &end
#
# 23  PHE  QR    28  LEU  QD1      9.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.78, r4=15.28,
 igr1= 368, 376, 370, 374, 372,
 igr2= 456, 457, 458,
 &end
#
# 23  PHE  QR    28  LEU  QD2      9.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.78, r4=15.28,
 igr1= 368, 376, 370, 374, 372,
 igr2= 460, 461, 462,
 &end
#
# 23  PHE  HD1    28  LEU  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 449, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 23  PHE  HD1    28  LEU  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 451, 452,
 &end
#
# 23  PHE  HD1    28  LEU  QQD      8.03
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 453, r1= 1.30, r2= 1.80, r3= 8.03, r4= 8.53,  &end
#
# 23  PHE  HD2    28  LEU  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 449, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 23  PHE  HD2    28  LEU  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 376,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 451, 452,
 &end
#
# 24  GLU-  QB    27  LEU  QB      7.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.64, r4=10.14,
 igr1= 384, 385,
 igr2= 432, 433,
 &end
#
# 24  GLU-  QB    27  LEU  HG      6.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 7.40, r4= 7.90,
 igr1= 384, 385,
 &end
#
# 24  GLU-  QB    27  LEU  QD1      7.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
 igr1= 384, 385,
 igr2= 437, 438, 439,
 &end
#
# 24  GLU-  QB    27  LEU  QD2      7.8
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.51, r4=11.01,
 igr1= 384, 385,
 igr2= 441, 442, 443,
 &end
#
# 24  GLU-  QB    27  LEU  QQD      7.4
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 8.31, r4= 8.81,
 igr1= 384, 385,
 &end
#
# 25  LYS+  HA    52  GLU-  QB      6.06
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr2= 824, 825,
 &end
#
# 25  LYS+  HA    52  GLU-  QG      6.31
 &rst
  ixpk= 0, nxpk= 0, iat= 397,  -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr2= 827, 828,
 &end
#
# 26  SER  QB    27  LEU  HG      5.51
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 435, r1= 1.30, r2= 1.80, r3= 6.18, r4= 6.68,
 igr1= 421, 422,
 &end
#
# 28  LEU  HA    28  LEU  QD1      4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 456, 457, 458,
 &end
#
# 28  LEU  HA    28  LEU  QD2      4.85
 &rst
  ixpk= 0, nxpk= 0, iat= 449,  -1, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr2= 460, 461, 462,
 &end
#
# 28  LEU  HA    28  LEU  QQD      4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 453, r1= 1.30, r2= 1.80, r3= 4.28, r4= 4.78,  &end
#
# 28  LEU  QB    29  GLU-  QG      7.65
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.64, r4=10.14,
 igr1= 451, 452,
 igr2= 473, 474,
 &end
#
# 28  LEU  HG    32  VAL  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 521, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 28  LEU  QQD    29  GLU-  HA      5.68
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 468, r1= 1.30, r2= 1.80, r3= 5.68, r4= 6.18,  &end
#
# 28  LEU  QQD    29  GLU-  QB      7.73
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 8.68, r4= 9.18,
 igr2= 470, 471,
 &end
#
# 28  LEU  QQD    29  GLU-  QG      7.58
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 8.51, r4= 9.01,
 igr2= 473, 474,
 &end
#
# 28  LEU  QQD    31  TYR  QB      8.6
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 9.65, r4=10.15,
 igr2= 502, 503,
 &end
#
# 28  LEU  QQD    32  VAL  HA      8.5
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 521, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00,  &end
#
# 28  LEU  QQD    32  VAL  HB      8.13
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 523, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,  &end
#
# 28  LEU  QQD    38  ASP-  HA      7.16
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 606, r1= 1.30, r2= 1.80, r3= 7.16, r4= 7.66,  &end
#
# 28  LEU  QQD    39  PRO  QB      8.91
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3=10.00, r4=10.50,
 igr2= 623, 624,
 &end
#
# 28  LEU  QQD    39  PRO  QG      8.91
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3=10.00, r4=10.50,
 igr2= 620, 621,
 &end
#
# 28  LEU  QQD    39  PRO  QD      8.78
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 9.86, r4=10.36,
 igr2= 617, 618,
 &end
#
# 28  LEU  QQD    50  ILE  QG2      7.32
 &rst
  ixpk= 0, nxpk= 0, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 8.79, r4= 9.29,
 igr2= 791, 792, 793,
 &end
#
# 30  GLN  QB    32  VAL  QQG      8.9
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 522, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 485, 486,
 &end
#
# 31  TYR  HA    31  TYR  QB      3.12
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,
 igr2= 502, 503,
 &end
#
# 31  TYR  HA    31  TYR  HD1      4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 506, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,  &end
#
# 31  TYR  HA    31  TYR  HD2      5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 515, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 31  TYR  HA    32  VAL  QQG      7.68
 &rst
  ixpk= 0, nxpk= 0, iat= 500, 522, r1= 1.30, r2= 1.80, r3= 7.68, r4= 8.18,  &end
#
# 31  TYR  HA    35  THR  QG2      5.47
 &rst
  ixpk= 0, nxpk= 0, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr2= 575, 576, 577,
 &end
#
# 31  TYR  QB    32  VAL  HA      6.28
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 521, r1= 1.30, r2= 1.80, r3= 7.05, r4= 7.55,
 igr1= 502, 503,
 &end
#
# 31  TYR  QD    39  PRO  HB2      8.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 9.02, r4= 9.52,
 igr1= 506, 515,
 &end
#
# 31  TYR  QD    39  PRO  HB3      8.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 9.02, r4= 9.52,
 igr1= 506, 515,
 &end
#
# 31  TYR  QD    39  PRO  QG      7.99
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.07, r4=10.57,
 igr1= 506, 515,
 igr2= 620, 621,
 &end
#
# 31  TYR  QD    39  PRO  QD      8.92
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.24, r4=11.74,
 igr1= 506, 515,
 igr2= 617, 618,
 &end
#
# 31  TYR  QE    37  ASN  HA      8.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1= 508, 513,
 &end
#
# 31  TYR  QE    37  ASN  HB2      8.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1= 508, 513,
 &end
#
# 31  TYR  QE    37  ASN  HB3      8.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1= 508, 513,
 &end
#
# 31  TYR  QE    37  ASN  QB      7.87
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.92, r4=10.42,
 igr1= 508, 513,
 igr2= 594, 595,
 &end
#
# 31  TYR  QE    39  PRO  HB2      8.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 623, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1= 508, 513,
 &end
#
# 31  TYR  QE    39  PRO  HB3      8.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 9.01, r4= 9.51,
 igr1= 508, 513,
 &end
#
# 31  TYR  QR    38  ASP-  HA      8.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 606, r1= 1.30, r2= 1.80, r3=10.57, r4=11.07,
 igr1= 506, 515, 508, 513,
 &end
#
# 31  TYR  HD1    32  VAL  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 521, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 31  TYR  HD1    35  THR  QG2      6.93
 &rst
  ixpk= 0, nxpk= 0, iat= 506,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 575, 576, 577,
 &end
#
# 31  TYR  HD1    39  PRO  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 506, 626, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 31  TYR  HE1    35  THR  QG2      6.77
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 8.13, r4= 8.63,
 igr2= 575, 576, 577,
 &end
#
# 31  TYR  HE1    39  PRO  HA      4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 508, 626, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
# 31  TYR  HE1    42  ASN  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 508,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 667, 668,
 &end
#
# 31  TYR  HE2    35  THR  QG2      6.93
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 575, 576, 577,
 &end
#
# 31  TYR  HE2    39  PRO  HA      4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 626, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,  &end
#
# 31  TYR  HE2    42  ASN  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 513,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 667, 668,
 &end
#
# 31  TYR  HD2    32  VAL  HA      6
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 521, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 31  TYR  HD2    35  THR  QG2      6.93
 &rst
  ixpk= 0, nxpk= 0, iat= 515,  -1, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr2= 575, 576, 577,
 &end
#
# 31  TYR  HD2    39  PRO  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 626, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 32  VAL  HA    36  GLY  HA1      4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 585, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 32  VAL  HA    36  GLY  HA2      4.94
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 586, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,  &end
#
# 32  VAL  HA    36  GLY  QA      4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 521,  -1, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,
 igr2= 585, 586,
 &end
#
# 32  VAL  HB    46  SER  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 727, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 32  VAL  HB    46  SER  HB2      5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 729, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 32  VAL  HB    46  SER  HB3      5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 523, 730, r1= 1.30, r2= 1.80, r3= 5.06, r4= 5.56,  &end
#
# 32  VAL  HB    46  SER  QB      4.89
 &rst
  ixpk= 0, nxpk= 0, iat= 523,  -1, r1= 1.30, r2= 1.80, r3= 5.49, r4= 5.99,
 igr2= 729, 730,
 &end
#
# 32  VAL  QQG    33  LYS+  HA      7.03
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 537, r1= 1.30, r2= 1.80, r3= 7.03, r4= 7.53,  &end
#
# 32  VAL  QQG    36  GLY  QA      8.74
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 9.81, r4=10.31,
 igr2= 585, 586,
 &end
#
# 32  VAL  QQG    39  PRO  QD      8.9
 &rst
  ixpk= 0, nxpk= 0, iat= 522,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr2= 617, 618,
 &end
#
# 32  VAL  QQG    46  SER  HA      6.04
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 727, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,  &end
#
# 32  VAL  QQG    46  SER  HB2      8.02
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 729, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,  &end
#
# 32  VAL  QQG    46  SER  HB3      8.02
 &rst
  ixpk= 0, nxpk= 0, iat= 522, 730, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,  &end
#
# 34  ASP-  HB2    35  THR  QG2      5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 561,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 575, 576, 577,
 &end
#
# 34  ASP-  HB3    35  THR  QG2      5.25
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,
 igr2= 575, 576, 577,
 &end
#
# 34  ASP-  QB    35  THR  HB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 573, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 561, 562,
 &end
#
# 34  ASP-  QB    35  THR  QG2      4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 561, 562,
 igr2= 575, 576, 577,
 &end
#
# 34  ASP-  QB    35  THR  QG2      4.96
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 561, 562,
 igr2= 575, 576, 577,
 &end
#
# 35  THR  HA    35  THR  HB      3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 573, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 35  THR  HA    35  THR  QG2      4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 571,  -1, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,
 igr2= 575, 576, 577,
 &end
#
# 35  THR  HB    37  ASN  HB2      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 594, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 35  THR  HB    37  ASN  HB3      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 573, 595, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 35  THR  HB    37  ASN  QB      5.48
 &rst
  ixpk= 0, nxpk= 0, iat= 573,  -1, r1= 1.30, r2= 1.80, r3= 6.15, r4= 6.65,
 igr2= 594, 595,
 &end
#
# 35  THR  QG2    37  ASN  HB2      6.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 594, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 575, 576, 577,
 &end
#
# 35  THR  QG2    37  ASN  HB3      6.93
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 595, r1= 1.30, r2= 1.80, r3= 8.32, r4= 8.82,
 igr1= 575, 576, 577,
 &end
#
# 35  THR  QG2    37  ASN  QB      6.67
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.99, r4= 9.49,
 igr1= 575, 576, 577,
 igr2= 594, 595,
 &end
#
# 36  GLY  HA1    37  ASN  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 592, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 36  GLY  HA1    45  LEU  HG      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 713, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 36  GLY  HA2    37  ASN  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 592, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 36  GLY  HA2    45  LEU  HG      4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 713, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,  &end
#
# 36  GLY  QA    37  ASN  HA      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1= 585, 586,
 &end
#
# 36  GLY  QA    45  LEU  HG      4.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 713, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 585, 586,
 &end
#
# 37  ASN  HA    42  ASN  HA      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 665, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 37  ASN  HA    44  PRO  HA      3.02
 &rst
  ixpk= 0, nxpk= 0, iat= 592, 702, r1= 1.30, r2= 1.80, r3= 3.02, r4= 3.52,  &end
#
# 37  ASN  HA    44  PRO  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 699, 700,
 &end
#
# 37  ASN  HA    45  LEU  QB      6.78
 &rst
  ixpk= 0, nxpk= 0, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr2= 710, 711,
 &end
#
# 37  ASN  HB2    42  ASN  HA      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 665, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 37  ASN  HB2    44  PRO  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 594, 702, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 37  ASN  HB3    42  ASN  HA      3.76
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 665, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,  &end
#
# 37  ASN  HB3    44  PRO  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 702, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 38  ASP-  HA    39  PRO  HB2      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 623, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 38  ASP-  HA    39  PRO  HB3      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 624, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 38  ASP-  HA    39  PRO  QB      5.72
 &rst
  ixpk= 0, nxpk= 0, iat= 606,  -1, r1= 1.30, r2= 1.80, r3= 6.42, r4= 6.92,
 igr2= 623, 624,
 &end
#
# 38  ASP-  QB    46  SER  HA      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 608, 609,
 &end
#
# 38  ASP-  QB    46  SER  HB2      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 729, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 608, 609,
 &end
#
# 38  ASP-  QB    46  SER  HB3      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 730, r1= 1.30, r2= 1.80, r3= 7.61, r4= 8.11,
 igr1= 608, 609,
 &end
#
# 38  ASP-  QB    46  SER  QB      6.41
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.08, r4= 8.58,
 igr1= 608, 609,
 igr2= 729, 730,
 &end
#
# 39  PRO  QB    40  ILE  HB      5.38
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 634, r1= 1.30, r2= 1.80, r3= 6.04, r4= 6.54,
 igr1= 623, 624,
 &end
#
# 41  THR  HB    43  GLU-  QG      6.17
 &rst
  ixpk= 0, nxpk= 0, iat= 653,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr2= 684, 685,
 &end
#
# 42  ASN  HA    42  ASN  HB2      3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 665, 667, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 42  ASN  HA    42  ASN  HB3      3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 665, 668, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 43  GLU-  HB2    44  PRO  HD2      7.06
 &rst
  ixpk= 0, nxpk= 0, iat= 681, 693, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,  &end
#
# 43  GLU-  HB2    44  PRO  HD3      7.06
 &rst
  ixpk= 0, nxpk= 0, iat= 681, 694, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,  &end
#
# 43  GLU-  HB3    44  PRO  HD2      7.06
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 693, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,  &end
#
# 43  GLU-  HB3    44  PRO  HD3      7.06
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 694, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,  &end
#
# 43  GLU-  QB    44  PRO  QD      6.03
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.60, r4= 8.10,
 igr1= 681, 682,
 igr2= 693, 694,
 &end
#
# 45  LEU  HA    45  LEU  HG      3.17
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 713, r1= 1.30, r2= 1.80, r3= 3.17, r4= 3.67,  &end
#
# 45  LEU  QB    46  SER  HA      5.88
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 727, r1= 1.30, r2= 1.80, r3= 6.60, r4= 7.10,
 igr1= 710, 711,
 &end
#
# 45  LEU  HG    48  GLU-  QB      5.35
 &rst
  ixpk= 0, nxpk= 0, iat= 713,  -1, r1= 1.30, r2= 1.80, r3= 6.01, r4= 6.51,
 igr2= 759, 760,
 &end
#
# 46  SER  HA    46  SER  HB2      3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 729, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 46  SER  HA    46  SER  HB3      3.08
 &rst
  ixpk= 0, nxpk= 0, iat= 727, 730, r1= 1.30, r2= 1.80, r3= 3.08, r4= 3.58,  &end
#
# 47  ILE  HB    47  ILE  QD1      3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 740,  -1, r1= 1.30, r2= 1.80, r3= 4.60, r4= 5.10,
 igr2= 749, 750, 751,
 &end
#
# 14  VAL  HN    23  PHE  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 210, 378, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 15  LEU  HN    51  VAL  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 818, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 23  PHE  HN    14  VAL  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 224, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 28  LEU  HN    24  GLU-  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 393, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 29  GLU-  HN    25  LYS+  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 415, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 30  GLN  HN    26  SER  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 481, 426, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 31  TYR  HN    27  LEU  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 445, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 32  VAL  HN    28  LEU  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 519, 464, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 33  LYS+  HN    29  GLU-  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 479, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 34  ASP-  HN    30  GLN  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 496, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 35  THR  HN    31  TYR  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 517, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 38  ASP-  HN    43  GLU-  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 690, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 45  LEU  HN    36  GLY  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 706, 588, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 49  GLU-  HN    46  SER  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 770, 734, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 50  ILE  HN    47  ILE  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 785, 753, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 51  VAL  HN    15  LEU  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 804, 243, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 53  ILE  HN    13  PRO  O      2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 835, 208, r1= 1.30, r2= 1.80, r3= 2.30, r4= 2.80,  &end
#
# 3  CYS  HA    3  CYS  HG      4.35
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  45, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
# 3  CYS  HB2    3  CYS  HG      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  45, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,  &end
#
# 3  CYS  HB3    3  CYS  HG      6.78
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  45, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,  &end
#
# 3  CYS  HG    5  ILE  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  59, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  HG    6  SER  HN      5.47
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  78, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,  &end
#
# 3  CYS  HG    6  SER  HA      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  80, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  HG    7  GLY  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  89, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 3  CYS  HG    8  LYS+  HN      5.9
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  96, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 41  THR  HG1    38  ASP-  HB3      3.4
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 609, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 41  THR  HN    41  THR  HG1      5.9
 &rst
  ixpk= 0, nxpk= 0, iat= 649, 659, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,  &end
#
# 41  THR  HA    41  THR  HG1      3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 651, 659, r1= 1.30, r2= 1.80, r3= 3.27, r4= 3.77,  &end
#
# 41  THR  HG1    43  GLU-  HN      4.78
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 677, r1= 1.30, r2= 1.80, r3= 4.78, r4= 5.28,  &end
#
# 41  THR  HG1    43  GLU-  QB      5.91
 &rst
  ixpk= 0, nxpk= 0, iat= 659,  -1, r1= 1.30, r2= 1.80, r3= 6.63, r4= 7.13,
 igr2= 681, 682,
 &end
#
# 41  THR  HG1    43  GLU-  HG2      6
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 684, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 41  THR  HG1    43  GLU-  HG3      5.85
 &rst
  ixpk= 0, nxpk= 0, iat= 659, 685, r1= 1.30, r2= 1.80, r3= 5.85, r4= 6.35,  &end
#
#  14 VAL  N     23 PHE O    2.8   20
 &rst
  ixpk= 0, nxpk= 0, iat= 209, 378, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50, 
      rk2=32.0, rk3=32.0, ir6=1, ialtd=0,
 &end
#
#  15 LEU  N     51 VAL O    2.8   20
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 818, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  23 PHE  N     14 VAL O    2.8   20
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 224, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  28 LEU  N     24 GLU- O    2.8  20
 &rst
  ixpk= 0, nxpk= 0, iat= 446, 393, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  29 GLU-  N     25 LYS+ O    2.8  20
 &rst
  ixpk= 0, nxpk= 0, iat= 465, 415, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  30 GLN  N     26 SER O    2.8    20
 &rst
  ixpk= 0, nxpk= 0, iat= 480, 426, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  31 TYR  N     27 LEU O    2.8    20
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 445, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  32 VAL  N     28 LEU O    2.8    20
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 464, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  33 LYS+  N     29 GLU- O    2.8   20
 &rst
  ixpk= 0, nxpk= 0, iat= 534, 479, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  34 ASP-  N     30 GLN O    2.8    20
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 496, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  35 THR  N     31 TYR O    2.8    20
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 517, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  38 ASP-  N     43 GLU- O    2.8  20
 &rst
  ixpk= 0, nxpk= 0, iat= 603, 690, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  49 GLU-  N     46 SER O    2.8   20
 &rst
  ixpk= 0, nxpk= 0, iat= 769, 734, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  50 ILE  N      47 ILE O    2.8   20
 &rst
  ixpk= 0, nxpk= 0, iat= 784, 753, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  51 VAL  N     15 LEU O    2.8   20
 &rst
  ixpk= 0, nxpk= 0, iat= 803, 243, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
#
#  53 ILE  N     13 PRO O    2.8   20
 &rst
  ixpk= 0, nxpk= 0, iat= 834, 208, r1= 2.30, r2= 2.80, r3=20.00, r4=20.50,  &end
# 893 atoms read from pdb file prp.amb.pdb.
# 2 LEU PHI:  (1 MET C)-(2 LEU N)-(2 LEU CA)-(2 LEU C) -133.0 -103.0
 &rst     iat =    16,    18,    20,    35,
   r1 = -138.0, r2 = -133.0, r3 = -103.0, r4 = -98.0,
   rk2 =  20.0, rk3 =  20.0,    &end

# 2 LEU PSI:  (2 LEU N)-(2 LEU CA)-(2 LEU C)-(3 CYS N) 131.0 153.0
 &rst     iat =    18,    20,    35,    37,
   r1 = 126.0, r2 = 131.0, r3 = 153.0, r4 = 158.0,
 &end

# 3 CYS PHI:  (2 LEU C)-(3 CYS N)-(3 CYS CA)-(3 CYS C) -85.0 -51.0
 &rst     iat =    35,    37,    39,    46,
   r1 = -90.0, r2 = -85.0, r3 = -51.0, r4 = -46.0,
 &end

# 3 CYS PSI:  (3 CYS N)-(3 CYS CA)-(3 CYS C)-(4 ALA N) 100.0 154.0
 &rst     iat =    37,    39,    46,    48,
   r1 =  95.0, r2 = 100.0, r3 = 154.0, r4 = 159.0,
 &end

# 4 ALA PHI:  (3 CYS C)-(4 ALA N)-(4 ALA CA)-(4 ALA C) -86.0 -46.0
 &rst     iat =    46,    48,    50,    56,
   r1 = -91.0, r2 = -86.0, r3 = -46.0, r4 = -41.0,
 &end

# 4 ALA PSI:  (4 ALA N)-(4 ALA CA)-(4 ALA C)-(5 ILE N) -66.0  -4.0
 &rst     iat =    48,    50,    56,    58,
   r1 = -71.0, r2 = -66.0, r3 =  -4.0, r4 =   1.0,
 &end

# 5 ILE PHI:  (4 ALA C)-(5 ILE N)-(5 ILE CA)-(5 ILE C) -123.0 -45.0
 &rst     iat =    56,    58,    60,    75,
   r1 = -128.0, r2 = -123.0, r3 = -45.0, r4 = -40.0,
 &end

# 6 SER PSI:  (6 SER N)-(6 SER CA)-(6 SER C)-(7 GLY N) -45.0  33.0
 &rst     iat =    77,    79,    86,    88,
   r1 = -50.0, r2 = -45.0, r3 =  33.0, r4 =  38.0,
 &end

# 7 GLY PHI:  (6 SER C)-(7 GLY N)-(7 GLY CA)-(7 GLY C)  73.0  93.0
 &rst     iat =    86,    88,    90,    93,
   r1 =  68.0, r2 =  73.0, r3 =  93.0, r4 =  98.0,
 &end

# 7 GLY PSI:  (7 GLY N)-(7 GLY CA)-(7 GLY C)-(8 LYS N) -18.0  18.0
 &rst     iat =    88,    90,    93,    95,
   r1 = -23.0, r2 = -18.0, r3 =  18.0, r4 =  23.0,
 &end

# 9 VAL PSI:  (9 VAL N)-(9 VAL CA)-(9 VAL C)-(10 PRO N)  72.0 158.0
 &rst     iat =   117,   119,   131,   133,
   r1 =  67.0, r2 =  72.0, r3 = 158.0, r4 = 163.0,
 &end

# 10 PRO PSI:  (10 PRO N)-(10 PRO CA)-(10 PRO C)-(11 ARG N) 107.0 151.0
 &rst     iat =   133,   143,   145,   147,
   r1 = 102.0, r2 = 107.0, r3 = 151.0, r4 = 156.0,
 &end

# 13 PRO PSI:  (13 PRO N)-(13 PRO CA)-(13 PRO C)-(14 VAL N) 126.0 176.0
 &rst     iat =   195,   205,   207,   209,
   r1 = 121.0, r2 = 126.0, r3 = 176.0, r4 = 181.0,
 &end

# 14 VAL PHI:  (13 PRO C)-(14 VAL N)-(14 VAL CA)-(14 VAL C) -146.0 -110.0
 &rst     iat =   207,   209,   211,   223,
   r1 = -151.0, r2 = -146.0, r3 = -110.0, r4 = -105.0,
 &end

# 14 VAL PSI:  (14 VAL N)-(14 VAL CA)-(14 VAL C)-(15 LEU N) 140.0 172.0
 &rst     iat =   209,   211,   223,   225,
   r1 = 135.0, r2 = 140.0, r3 = 172.0, r4 = 177.0,
 &end

# 15 LEU PHI:  (14 VAL C)-(15 LEU N)-(15 LEU CA)-(15 LEU C) -154.0 -100.0
 &rst     iat =   223,   225,   227,   242,
   r1 = -159.0, r2 = -154.0, r3 = -100.0, r4 = -95.0,
 &end

# 15 LEU PSI:  (15 LEU N)-(15 LEU CA)-(15 LEU C)-(16 SER N) 123.0 161.0
 &rst     iat =   225,   227,   242,   244,
   r1 = 118.0, r2 = 123.0, r3 = 161.0, r4 = 166.0,
 &end

# 16 SER PHI:  (15 LEU C)-(16 SER N)-(16 SER CA)-(16 SER C) -147.0 -111.0
 &rst     iat =   242,   244,   246,   253,
   r1 = -152.0, r2 = -147.0, r3 = -111.0, r4 = -106.0,
 &end

# 16 SER PSI:  (16 SER N)-(16 SER CA)-(16 SER C)-(17 PRO N) 122.0 168.0
 &rst     iat =   244,   246,   253,   255,
   r1 = 117.0, r2 = 122.0, r3 = 168.0, r4 = 173.0,
 &end

# 18 LYS PHI:  (17 PRO C)-(18 LYS N)-(18 LYS CA)-(18 LYS C) -92.0 -58.0
 &rst     iat =   267,   269,   271,   289,
   r1 = -97.0, r2 = -92.0, r3 = -58.0, r4 = -53.0,
 &end

# 19 SER PHI:  (18 LYS C)-(19 SER N)-(19 SER CA)-(19 SER C) -122.0 -58.0
 &rst     iat =   289,   291,   293,   300,
   r1 = -127.0, r2 = -122.0, r3 = -58.0, r4 = -53.0,
 &end

# 19 SER PSI:  (19 SER N)-(19 SER CA)-(19 SER C)-(20 ARG N) -40.0  12.0
 &rst     iat =   291,   293,   300,   302,
   r1 = -45.0, r2 = -40.0, r3 =  12.0, r4 =  17.0,
 &end

# 20 ARG PHI:  (19 SER C)-(20 ARG N)-(20 ARG CA)-(20 ARG C)  46.0 112.0
 &rst     iat =   300,   302,   304,   324,
   r1 =  41.0, r2 =  46.0, r3 = 112.0, r4 = 117.0,
 &end

# 20 ARG PSI:  (20 ARG N)-(20 ARG CA)-(20 ARG C)-(21 THR N) -32.0  50.0
 &rst     iat =   302,   304,   324,   326,
   r1 = -37.0, r2 = -32.0, r3 =  50.0, r4 =  55.0,
 &end

# 21 THR PSI:  (21 THR N)-(21 THR CA)-(21 THR C)-(22 ILE N) 125.0 177.0
 &rst     iat =   326,   328,   338,   340,
   r1 = 120.0, r2 = 125.0, r3 = 177.0, r4 = 182.0,
 &end

# 22 ILE PHI:  (21 THR C)-(22 ILE N)-(22 ILE CA)-(22 ILE C) -120.0 -90.0
 &rst     iat =   338,   340,   342,   357,
   r1 = -125.0, r2 = -120.0, r3 = -90.0, r4 = -85.0,
 &end

# 22 ILE PSI:  (22 ILE N)-(22 ILE CA)-(22 ILE C)-(23 PHE N) 117.0 159.0
 &rst     iat =   340,   342,   357,   359,
   r1 = 112.0, r2 = 117.0, r3 = 159.0, r4 = 164.0,
 &end

# 23 PHE PHI:  (22 ILE C)-(23 PHE N)-(23 PHE CA)-(23 PHE C) -157.0 -117.0
 &rst     iat =   357,   359,   361,   377,
   r1 = -162.0, r2 = -157.0, r3 = -117.0, r4 = -112.0,
 &end

# 23 PHE PSI:  (23 PHE N)-(23 PHE CA)-(23 PHE C)-(24 GLU N) 132.0 174.0
 &rst     iat =   359,   361,   377,   379,
   r1 = 127.0, r2 = 132.0, r3 = 174.0, r4 = 179.0,
 &end

# 25 LYS PSI:  (25 LYS N)-(25 LYS CA)-(25 LYS C)-(26 SER N) -46.0 -32.0
 &rst     iat =   394,   396,   414,   416,
   r1 = -51.0, r2 = -46.0, r3 = -32.0, r4 = -27.0,
 &end

# 26 SER PHI:  (25 LYS C)-(26 SER N)-(26 SER CA)-(26 SER C) -76.0 -58.0
 &rst     iat =   414,   416,   418,   425,
   r1 = -81.0, r2 = -76.0, r3 = -58.0, r4 = -53.0,
 &end

# 27 LEU PSI:  (27 LEU N)-(27 LEU CA)-(27 LEU C)-(28 LEU N) -47.0 -21.0
 &rst     iat =   427,   429,   444,   446,
   r1 = -52.0, r2 = -47.0, r3 = -21.0, r4 = -16.0,
 &end

# 28 LEU PHI:  (27 LEU C)-(28 LEU N)-(28 LEU CA)-(28 LEU C) -76.0 -60.0
 &rst     iat =   444,   446,   448,   463,
   r1 = -81.0, r2 = -76.0, r3 = -60.0, r4 = -55.0,
 &end

# 29 GLU PHI:  (28 LEU C)-(29 GLU N)-(29 GLU CA)-(29 GLU C) -68.0 -56.0
 &rst     iat =   463,   465,   467,   478,
   r1 = -73.0, r2 = -68.0, r3 = -56.0, r4 = -51.0,
 &end

# 30 GLN PHI:  (29 GLU C)-(30 GLN N)-(30 GLN CA)-(30 GLN C) -67.0 -59.0
 &rst     iat =   478,   480,   482,   495,
   r1 = -72.0, r2 = -67.0, r3 = -59.0, r4 = -54.0,
 &end

# 31 TYR PHI:  (30 GLN C)-(31 TYR N)-(31 TYR CA)-(31 TYR C) -67.0 -57.0
 &rst     iat =   495,   497,   499,   516,
   r1 = -72.0, r2 = -67.0, r3 = -57.0, r4 = -52.0,
 &end

# 34 ASP PHI:  (33 LYS C)-(34 ASP N)-(34 ASP CA)-(34 ASP C) -90.0 -58.0
 &rst     iat =   554,   556,   558,   566,
   r1 = -95.0, r2 = -90.0, r3 = -58.0, r4 = -53.0,
 &end

# 35 THR PSI:  (35 THR N)-(35 THR CA)-(35 THR C)-(36 GLY N) -21.0   3.0
 &rst     iat =   568,   570,   580,   582,
   r1 = -26.0, r2 = -21.0, r3 =   3.0, r4 =   8.0,
 &end

# 36 GLY PHI:  (35 THR C)-(36 GLY N)-(36 GLY CA)-(36 GLY C)  66.0  96.0
 &rst     iat =   580,   582,   584,   587,
   r1 =  61.0, r2 =  66.0, r3 =  96.0, r4 = 101.0,
 &end

# 36 GLY PSI:  (36 GLY N)-(36 GLY CA)-(36 GLY C)-(37 ASN N)  -8.0  44.0
 &rst     iat =   582,   584,   587,   589,
   r1 = -13.0, r2 =  -8.0, r3 =  44.0, r4 =  49.0,
 &end

# 37 ASN PSI:  (37 ASN N)-(37 ASN CA)-(37 ASN C)-(38 ASP N) 138.0 166.0
 &rst     iat =   589,   591,   601,   603,
   r1 = 133.0, r2 = 138.0, r3 = 166.0, r4 = 171.0,
 &end

# 38 ASP PSI:  (38 ASP N)-(38 ASP CA)-(38 ASP C)-(39 PRO N) 132.0 172.0
 &rst     iat =   603,   605,   613,   615,
   r1 = 127.0, r2 = 132.0, r3 = 172.0, r4 = 177.0,
 &end

# 39 PRO PSI:  (39 PRO N)-(39 PRO CA)-(39 PRO C)-(40 ILE N) -28.0  -8.0
 &rst     iat =   615,   625,   627,   629,
   r1 = -33.0, r2 = -28.0, r3 =  -8.0, r4 =  -3.0,
 &end

# 41 THR PHI:  (40 ILE C)-(41 THR N)-(41 THR CA)-(41 THR C) -121.0 -73.0
 &rst     iat =   646,   648,   650,   660,
   r1 = -126.0, r2 = -121.0, r3 = -73.0, r4 = -68.0,
 &end

# 47 ILE PSI:  (47 ILE N)-(47 ILE CA)-(47 ILE C)-(48 GLU N) -45.0 -21.0
 &rst     iat =   735,   737,   752,   754,
   r1 = -50.0, r2 = -45.0, r3 = -21.0, r4 = -16.0,
 &end

# 48 GLU PHI:  (47 ILE C)-(48 GLU N)-(48 GLU CA)-(48 GLU C) -77.0 -51.0
 &rst     iat =   752,   754,   756,   767,
   r1 = -82.0, r2 = -77.0, r3 = -51.0, r4 = -46.0,
 &end

# 50 ILE PHI:  (49 GLU C)-(50 ILE N)-(50 ILE CA)-(50 ILE C) -101.0 -59.0
 &rst     iat =   782,   784,   786,   801,
   r1 = -106.0, r2 = -101.0, r3 = -59.0, r4 = -54.0,
 &end

# 51 VAL PHI:  (50 ILE C)-(51 VAL N)-(51 VAL CA)-(51 VAL C) -117.0 -87.0
 &rst     iat =   801,   803,   805,   817,
   r1 = -122.0, r2 = -117.0, r3 = -87.0, r4 = -82.0,
 &end

# 52 GLU PHI:  (51 VAL C)-(52 GLU N)-(52 GLU CA)-(52 GLU C) -116.0 -72.0
 &rst     iat =   817,   819,   821,   832,
   r1 = -121.0, r2 = -116.0, r3 = -72.0, r4 = -67.0,
 &end

# 52 GLU PSI:  (52 GLU N)-(52 GLU CA)-(52 GLU C)-(53 ILE N) 109.0 139.0
 &rst     iat =   819,   821,   832,   834,
   r1 = 104.0, r2 = 109.0, r3 = 139.0, r4 = 144.0,
 &end

# 53 ILE PHI:  (52 GLU C)-(53 ILE N)-(53 ILE CA)-(53 ILE C) -128.0 -84.0
 &rst     iat =   832,   834,   836,   851,
   r1 = -133.0, r2 = -128.0, r3 = -84.0, r4 = -79.0,
 &end

# 54 VAL PSI:  (54 VAL N)-(54 VAL CA)-(54 VAL C)-(55 PRO N)  99.0 151.0
 &rst     iat =   853,   855,   867,   869,
   r1 =  94.0, r2 =  99.0, r3 = 151.0, r4 = 156.0,
 &end

# 55 PRO PSI:  (55 PRO N)-(55 PRO CA)-(55 PRO C)-(56 SER N) -36.0  -8.0
 &rst     iat =   869,   879,   881,   883,
   r1 = -41.0, r2 = -36.0, r3 =  -8.0, r4 =  -3.0,
 &end


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    MET   1           H        MET   1  -6.011   1.995  -8.889
    2    HA   MET   1           HA       MET   1  -7.129   1.427  -6.880
    3   1HB   MET   1          1HB       MET   1  -8.922   0.483  -9.154
    4   2HB   MET   1          2HB       MET   1  -9.481   0.834  -7.521
    5   1HG   MET   1          1HG       MET   1  -8.240   2.805  -9.470
    6   2HG   MET   1          2HG       MET   1  -9.931   2.712  -9.000
    7   1HE   MET   1          1HE       MET   1 -10.894   3.417  -6.653
    8   2HE   MET   1          2HE       MET   1  -9.777   2.356  -5.765
    9   3HE   MET   1          3HE       MET   1  -9.916   4.068  -5.319
   10    H    LEU   2           H        LEU   2  -5.814  -1.126  -8.427
   11    HA   LEU   2           HA       LEU   2  -6.604  -3.002  -6.256
   12   1HB   LEU   2          1HB       LEU   2  -6.623  -4.872  -7.603
   13   2HB   LEU   2          2HB       LEU   2  -7.539  -3.698  -8.527
   14    HG   LEU   2           HG       LEU   2  -4.629  -4.504  -9.036
   15   1HD1  LEU   2          1HD1      LEU   2  -7.178  -5.186 -10.553
   16   2HD1  LEU   2          2HD1      LEU   2  -5.526  -5.664 -10.999
   17   3HD1  LEU   2          3HD1      LEU   2  -6.252  -6.293  -9.514
   18   1HD2  LEU   2          1HD2      LEU   2  -6.496  -2.713 -10.653
   19   2HD2  LEU   2          2HD2      LEU   2  -4.959  -2.240  -9.882
   20   3HD2  LEU   2          3HD2      LEU   2  -4.949  -3.359 -11.239
   21    H    CYS   3           H        CYS   3  -5.046  -4.513  -5.508
   22    HA   CYS   3           HA       CYS   3  -2.791  -2.966  -4.839
   23   1HB   CYS   3          1HB       CYS   3  -3.927  -4.376  -3.251
   24   2HB   CYS   3          2HB       CYS   3  -3.756  -5.757  -4.289
   25    HG   CYS   3           HG       CYS   3  -2.377  -6.177  -2.188
   26    H    ALA   4           H        ALA   4  -0.800  -3.097  -5.125
   27    HA   ALA   4           HA       ALA   4   0.184  -4.091  -7.740
   28   1HB   ALA   4          1HB       ALA   4   0.784  -1.892  -7.090
   29   2HB   ALA   4          2HB       ALA   4   1.824  -2.551  -5.781
   30   3HB   ALA   4          3HB       ALA   4   2.172  -2.916  -7.470
   31    H    ILE   5           H        ILE   5   0.251  -5.135  -4.408
   32    HA   ILE   5           HA       ILE   5   2.577  -6.917  -4.682
   33    HB   ILE   5           HB       ILE   5   0.534  -6.607  -2.439
   34   1HG1  ILE   5          1HG1      ILE   5   2.906  -6.133  -1.293
   35   2HG1  ILE   5          2HG1      ILE   5   3.328  -5.624  -2.920
   36   1HG2  ILE   5          1HG2      ILE   5   1.234  -8.982  -2.567
   37   2HG2  ILE   5          2HG2      ILE   5   2.934  -8.499  -2.745
   38   3HG2  ILE   5          3HG2      ILE   5   2.077  -8.222  -1.220
   39   1HD1  ILE   5          1HD1      ILE   5   0.956  -4.617  -1.260
   40   2HD1  ILE   5          2HD1      ILE   5   2.490  -3.768  -1.479
   41   3HD1  ILE   5          3HD1      ILE   5   1.420  -4.016  -2.869
   42    H    SER   6           H        SER   6  -0.987  -7.513  -4.319
   43    HA   SER   6           HA       SER   6  -0.607  -9.889  -6.099
   44   1HB   SER   6          1HB       SER   6  -2.210 -10.035  -3.560
   45   2HB   SER   6          2HB       SER   6  -1.972 -11.321  -4.739
   46    HG   SER   6           HG       SER   6  -0.538 -11.606  -3.032
   47    H    GLY   7           H        GLY   7  -2.511  -7.085  -5.699
   48   1HA   GLY   7          1HA       GLY   7  -4.112  -6.415  -7.246
   49   2HA   GLY   7          2HA       GLY   7  -4.168  -8.076  -7.829
   50    H    LYS   8           H        LYS   8  -4.532  -8.050  -4.657
   51    HA   LYS   8           HA       LYS   8  -7.269  -8.920  -4.443
   52   1HB   LYS   8          1HB       LYS   8  -5.422  -9.591  -3.002
   53   2HB   LYS   8          2HB       LYS   8  -5.155  -7.924  -2.479
   54   1HG   LYS   8          1HG       LYS   8  -7.305  -7.921  -1.285
   55   2HG   LYS   8          2HG       LYS   8  -7.704  -9.532  -1.940
   56   1HD   LYS   8          1HD       LYS   8  -5.670 -10.446  -0.837
   57   2HD   LYS   8          2HD       LYS   8  -5.343  -8.841  -0.148
   58   1HE   LYS   8          1HE       LYS   8  -7.510  -8.902   1.062
   59   2HE   LYS   8          2HE       LYS   8  -7.905 -10.449   0.310
   60   1HZ   LYS   8          1HZ       LYS   8  -5.648 -10.012   2.194
   61   2HZ   LYS   8          2HZ       LYS   8  -7.046 -10.780   2.544
   62   3HZ   LYS   8          3HZ       LYS   8  -6.006 -11.439   1.476
   63    H    VAL   9           H        VAL   9  -9.092  -7.871  -3.834
   64    HA   VAL   9           HA       VAL   9  -9.323  -4.976  -3.944
   65    HB   VAL   9           HB       VAL   9 -11.162  -6.286  -4.678
   66   1HG1  VAL   9          1HG1      VAL   9 -11.674  -7.262  -1.845
   67   2HG1  VAL   9          2HG1      VAL   9 -12.646  -7.571  -3.292
   68   3HG1  VAL   9          3HG1      VAL   9 -11.031  -8.266  -3.167
   69   1HG2  VAL   9          1HG2      VAL   9 -12.963  -5.121  -3.539
   70   2HG2  VAL   9          2HG2      VAL   9 -11.909  -4.756  -2.157
   71   3HG2  VAL   9          3HG2      VAL   9 -11.579  -4.045  -3.757
   72    HA   PRO  10           HA       PRO  10  -7.557  -4.870   0.114
   73   1HB   PRO  10          1HB       PRO  10  -7.292  -2.199   0.544
   74   2HB   PRO  10          2HB       PRO  10  -6.357  -3.067  -0.706
   75   1HG   PRO  10          1HG       PRO  10  -8.919  -1.499  -1.108
   76   2HG   PRO  10          2HG       PRO  10  -7.377  -1.358  -2.016
   77   1HD   PRO  10          1HD       PRO  10  -9.435  -2.896  -2.921
   78   2HD   PRO  10          2HD       PRO  10  -7.732  -3.405  -3.127
   79    H    ARG  11           H        ARG  11  -8.028  -4.677   2.176
   80    HA   ARG  11           HA       ARG  11 -10.748  -3.825   3.105
   81   1HB   ARG  11          1HB       ARG  11 -10.309  -5.061   5.151
   82   2HB   ARG  11          2HB       ARG  11 -10.216  -6.113   3.739
   83   1HG   ARG  11          1HG       ARG  11  -7.770  -6.132   3.846
   84   2HG   ARG  11          2HG       ARG  11  -7.783  -4.956   5.179
   85   1HD   ARG  11          1HD       ARG  11  -9.029  -6.600   6.571
   86   2HD   ARG  11          2HD       ARG  11  -8.915  -7.776   5.242
   87    HE   ARG  11           HE       ARG  11  -6.288  -6.833   5.819
   88   1HH1  ARG  11          2HH2      ARG  11  -8.688  -8.808   7.438
   89   2HH1  ARG  11          1HH2      ARG  11  -7.482  -9.648   8.378
   90   1HH2  ARG  11          2HH1      ARG  11  -4.846  -7.890   7.010
   91   2HH2  ARG  11          1HH1      ARG  11  -5.331  -9.147   8.136
   92    H    ARG  12           H        ARG  12  -7.268  -3.273   3.466
   93    HA   ARG  12           HA       ARG  12  -7.889  -0.544   4.583
   94   1HB   ARG  12          1HB       ARG  12  -5.676  -2.453   5.366
   95   2HB   ARG  12          2HB       ARG  12  -5.579  -0.698   5.623
   96   1HG   ARG  12          1HG       ARG  12  -7.712  -0.783   6.913
   97   2HG   ARG  12          2HG       ARG  12  -7.699  -2.553   6.776
   98   1HD   ARG  12          1HD       ARG  12  -5.552  -2.657   7.963
   99   2HD   ARG  12          2HD       ARG  12  -5.457  -0.894   8.018
  100    HE   ARG  12           HE       ARG  12  -7.133  -2.644   9.691
  101   1HH1  ARG  12          2HH2      ARG  12  -6.599   0.742   8.756
  102   2HH1  ARG  12          1HH2      ARG  12  -7.501   1.295  10.144
  103   1HH2  ARG  12          2HH1      ARG  12  -8.234  -1.809  11.393
  104   2HH2  ARG  12          1HH1      ARG  12  -8.374  -0.086  11.583
  105    HA   PRO  13           HA       PRO  13  -5.972  -0.059   0.413
  106   1HB   PRO  13          1HB       PRO  13  -7.222   2.393  -0.078
  107   2HB   PRO  13          2HB       PRO  13  -7.822   0.788  -0.575
  108   1HG   PRO  13          1HG       PRO  13  -8.549   2.345   1.928
  109   2HG   PRO  13          2HG       PRO  13  -9.650   1.516   0.772
  110   1HD   PRO  13          1HD       PRO  13  -9.016   0.242   3.010
  111   2HD   PRO  13          2HD       PRO  13  -8.821  -0.635   1.444
  112    H    VAL  14           H        VAL  14  -4.167   0.663   0.319
  113    HA   VAL  14           HA       VAL  14  -3.074   2.973   1.902
  114    HB   VAL  14           HB       VAL  14  -2.549   0.042   2.098
  115   1HG1  VAL  14          1HG1      VAL  14  -0.271   0.165   2.778
  116   2HG1  VAL  14          2HG1      VAL  14  -0.406   0.704   1.118
  117   3HG1  VAL  14          3HG1      VAL  14  -0.192   1.916   2.383
  118   1HG2  VAL  14          1HG2      VAL  14  -2.002   0.647   4.394
  119   2HG2  VAL  14          2HG2      VAL  14  -2.008   2.358   3.989
  120   3HG2  VAL  14          3HG2      VAL  14  -3.525   1.406   3.924
  121    H    LEU  15           H        LEU  15  -1.438   4.098   1.053
  122    HA   LEU  15           HA       LEU  15  -0.370   3.340  -1.645
  123   1HB   LEU  15          1HB       LEU  15  -1.997   5.056  -1.853
  124   2HB   LEU  15          2HB       LEU  15  -1.346   6.006  -0.543
  125    HG   LEU  15           HG       LEU  15   0.431   5.509  -2.936
  126   1HD1  LEU  15          1HD1      LEU  15  -1.866   7.508  -2.878
  127   2HD1  LEU  15          2HD1      LEU  15  -0.538   7.497  -4.066
  128   3HD1  LEU  15          3HD1      LEU  15  -1.661   6.141  -3.996
  129   1HD2  LEU  15          1HD2      LEU  15   1.207   6.878  -0.918
  130   2HD2  LEU  15          2HD2      LEU  15   1.229   7.760  -2.451
  131   3HD2  LEU  15          3HD2      LEU  15  -0.079   8.027  -1.281
  132    H    SER  16           H        SER  16   1.810   4.111  -2.048
  133    HA   SER  16           HA       SER  16   3.400   5.198   0.210
  134   1HB   SER  16          1HB       SER  16   4.058   2.925   0.184
  135   2HB   SER  16          2HB       SER  16   4.281   2.955  -1.566
  136    HG   SER  16           HG       SER  16   6.244   3.322  -0.877
  137    HA   PRO  17           HA       PRO  17   3.763   8.490  -2.600
  138   1HB   PRO  17          1HB       PRO  17   6.523   8.868  -1.417
  139   2HB   PRO  17          2HB       PRO  17   5.261  10.096  -1.735
  140   1HG   PRO  17          1HG       PRO  17   5.609   9.127   0.766
  141   2HG   PRO  17          2HG       PRO  17   3.948   9.325   0.109
  142   1HD   PRO  17          1HD       PRO  17   5.592   6.800   0.338
  143   2HD   PRO  17          2HD       PRO  17   3.854   7.088   0.658
  144    H    LYS  18           H        LYS  18   5.940   5.883  -2.916
  145    HA   LYS  18           HA       LYS  18   7.434   7.147  -5.211
  146   1HB   LYS  18          1HB       LYS  18   8.122   4.543  -3.803
  147   2HB   LYS  18          2HB       LYS  18   9.015   5.361  -5.067
  148   1HG   LYS  18          1HG       LYS  18  10.225   6.112  -3.293
  149   2HG   LYS  18          2HG       LYS  18   9.033   7.401  -3.375
  150   1HD   LYS  18          1HD       LYS  18   9.272   6.793  -1.062
  151   2HD   LYS  18          2HD       LYS  18   7.712   6.132  -1.559
  152   1HE   LYS  18          1HE       LYS  18   8.882   3.920  -1.979
  153   2HE   LYS  18          2HE       LYS  18  10.347   4.641  -1.284
  154   1HZ   LYS  18          1HZ       LYS  18   7.749   4.314   0.098
  155   2HZ   LYS  18          2HZ       LYS  18   9.114   3.445   0.374
  156   3HZ   LYS  18          3HZ       LYS  18   9.093   5.045   0.749
  157    H    SER  19           H        SER  19   5.983   4.009  -4.462
  158    HA   SER  19           HA       SER  19   5.464   3.162  -7.148
  159   1HB   SER  19          1HB       SER  19   3.889   1.562  -6.031
  160   2HB   SER  19          2HB       SER  19   5.518   1.594  -5.329
  161    HG   SER  19           HG       SER  19   4.839   2.647  -3.629
  162    H    ARG  20           H        ARG  20   3.441   4.968  -4.896
  163    HA   ARG  20           HA       ARG  20   1.532   6.157  -5.022
  164   1HB   ARG  20          1HB       ARG  20   2.264   6.639  -7.925
  165   2HB   ARG  20          2HB       ARG  20   1.186   7.615  -6.914
  166   1HG   ARG  20          1HG       ARG  20   3.140   7.971  -5.322
  167   2HG   ARG  20          2HG       ARG  20   4.167   7.183  -6.518
  168   1HD   ARG  20          1HD       ARG  20   4.510   9.431  -6.963
  169   2HD   ARG  20          2HD       ARG  20   3.353   8.947  -8.198
  170    HE   ARG  20           HE       ARG  20   1.746  10.343  -7.226
  171   1HH1  ARG  20          2HH2      ARG  20   4.377  10.067  -4.897
  172   2HH1  ARG  20          1HH2      ARG  20   3.759  11.402  -3.955
  173   1HH2  ARG  20          2HH1      ARG  20   1.017  11.975  -5.935
  174   2HH2  ARG  20          1HH1      ARG  20   1.900  12.414  -4.502
  175    H    THR  21           H        THR  21   1.464   3.281  -6.372
  176    HA   THR  21           HA       THR  21  -1.270   3.094  -7.419
  177    HB   THR  21           HB       THR  21   0.553   1.369  -7.894
  178    HG1  THR  21           1HG      THR  21  -0.811  -0.330  -7.723
  179   1HG2  THR  21          1HG2      THR  21   1.345   1.473  -5.390
  180   2HG2  THR  21          2HG2      THR  21   0.024   0.322  -5.123
  181   3HG2  THR  21          3HG2      THR  21   1.362  -0.055  -6.240
  182    H    ILE  22           H        ILE  22  -2.720   1.374  -6.060
  183    HA   ILE  22           HA       ILE  22  -2.713   2.097  -3.159
  184    HB   ILE  22           HB       ILE  22  -5.192   1.448  -4.712
  185   1HG1  ILE  22          1HG1      ILE  22  -4.544   3.606  -5.565
  186   2HG1  ILE  22          2HG1      ILE  22  -5.984   3.717  -4.574
  187   1HG2  ILE  22          1HG2      ILE  22  -4.763   2.455  -1.876
  188   2HG2  ILE  22          2HG2      ILE  22  -6.348   2.261  -2.660
  189   3HG2  ILE  22          3HG2      ILE  22  -5.327   0.847  -2.368
  190   1HD1  ILE  22          1HD1      ILE  22  -4.672   4.665  -2.706
  191   2HD1  ILE  22          2HD1      ILE  22  -3.190   4.474  -3.656
  192   3HD1  ILE  22          3HD1      ILE  22  -4.445   5.607  -4.187
  193    H    PHE  23           H        PHE  23  -2.091   0.350  -2.105
  194    HA   PHE  23           HA       PHE  23  -3.008  -2.349  -2.984
  195   1HB   PHE  23          1HB       PHE  23  -0.926  -3.065  -1.488
  196   2HB   PHE  23          2HB       PHE  23  -0.893  -2.876  -3.236
  197    HD1  PHE  23           1HD      PHE  23   0.887  -1.818  -4.118
  198    HD2  PHE  23           2HD      PHE  23  -0.219  -1.031  -0.139
  199    HE1  PHE  23           1HE      PHE  23   2.718  -0.159  -4.040
  200    HE2  PHE  23           2HE      PHE  23   1.553   0.854  -0.023
  201    HZ   PHE  23           HZ       PHE  23   3.025   1.220  -1.971
  202    H    GLU  24           H        GLU  24  -2.953  -3.934  -1.204
  203    HA   GLU  24           HA       GLU  24  -4.653  -3.001   0.982
  204   1HB   GLU  24          1HB       GLU  24  -5.277  -5.053   0.018
  205   2HB   GLU  24          2HB       GLU  24  -3.631  -5.599  -0.086
  206   1HG   GLU  24          1HG       GLU  24  -5.015  -6.796   1.635
  207   2HG   GLU  24          2HG       GLU  24  -3.528  -6.087   2.264
  208    H    LYS  25           H        LYS  25  -3.856  -2.516   3.048
  209    HA   LYS  25           HA       LYS  25  -1.164  -1.995   3.630
  210   1HB   LYS  25          1HB       LYS  25  -3.263  -1.167   4.811
  211   2HB   LYS  25          2HB       LYS  25  -3.358  -2.730   5.621
  212   1HG   LYS  25          1HG       LYS  25  -1.180  -2.365   6.695
  213   2HG   LYS  25          2HG       LYS  25  -0.934  -0.878   5.766
  214   1HD   LYS  25          1HD       LYS  25  -3.013   0.072   6.847
  215   2HD   LYS  25          2HD       LYS  25  -3.077  -1.383   7.871
  216   1HE   LYS  25          1HE       LYS  25  -0.804  -0.845   8.743
  217   2HE   LYS  25          2HE       LYS  25  -0.755   0.591   7.707
  218   1HZ   LYS  25          1HZ       LYS  25  -1.453   1.207   9.930
  219   2HZ   LYS  25          2HZ       LYS  25  -2.716   1.441   8.914
  220   3HZ   LYS  25          3HZ       LYS  25  -2.694   0.147   9.914
  221    H    SER  26           H        SER  26  -3.155  -4.848   4.318
  222    HA   SER  26           HA       SER  26  -1.227  -6.213   5.815
  223   1HB   SER  26          1HB       SER  26  -3.302  -7.602   4.089
  224   2HB   SER  26          2HB       SER  26  -2.517  -8.233   5.545
  225    HG   SER  26           HG       SER  26  -4.336  -6.067   5.272
  226    H    LEU  27           H        LEU  27  -1.709  -6.259   2.238
  227    HA   LEU  27           HA       LEU  27   0.241  -8.359   1.789
  228   1HB   LEU  27          1HB       LEU  27  -0.976  -6.361  -0.157
  229   2HB   LEU  27          2HB       LEU  27  -0.076  -7.808  -0.530
  230    HG   LEU  27           HG       LEU  27  -2.925  -7.484   0.007
  231   1HD1  LEU  27          1HD1      LEU  27  -3.090  -9.407  -1.404
  232   2HD1  LEU  27          2HD1      LEU  27  -1.920  -8.250  -2.070
  233   3HD1  LEU  27          3HD1      LEU  27  -1.343  -9.711  -1.229
  234   1HD2  LEU  27          1HD2      LEU  27  -1.592  -9.807   1.387
  235   2HD2  LEU  27          2HD2      LEU  27  -2.729  -8.607   2.072
  236   3HD2  LEU  27          3HD2      LEU  27  -3.298  -9.772   0.896
  237    H    LEU  28           H        LEU  28   0.265  -4.815   1.805
  238    HA   LEU  28           HA       LEU  28   2.963  -4.515   0.796
  239   1HB   LEU  28          1HB       LEU  28   1.387  -2.588   0.946
  240   2HB   LEU  28          2HB       LEU  28   1.474  -2.679   2.706
  241    HG   LEU  28           HG       LEU  28   4.044  -2.374   2.467
  242   1HD1  LEU  28          1HD1      LEU  28   3.219  -1.627  -0.361
  243   2HD1  LEU  28          2HD1      LEU  28   4.783  -1.257   0.379
  244   3HD1  LEU  28          3HD1      LEU  28   4.319  -2.930   0.113
  245   1HD2  LEU  28          1HD2      LEU  28   3.820   0.086   2.124
  246   2HD2  LEU  28          2HD2      LEU  28   2.105  -0.192   1.748
  247   3HD2  LEU  28          3HD2      LEU  28   2.737  -0.630   3.334
  248    H    GLU  29           H        GLU  29   1.540  -4.848   4.089
  249    HA   GLU  29           HA       GLU  29   3.900  -4.629   5.619
  250   1HB   GLU  29          1HB       GLU  29   1.628  -4.660   6.547
  251   2HB   GLU  29          2HB       GLU  29   1.512  -6.396   6.224
  252   1HG   GLU  29          1HG       GLU  29   3.410  -6.807   7.756
  253   2HG   GLU  29          2HG       GLU  29   3.589  -5.070   8.018
  254    H    GLN  30           H        GLN  30   2.587  -7.467   3.939
  255    HA   GLN  30           HA       GLN  30   4.605  -9.357   4.754
  256   1HB   GLN  30          1HB       GLN  30   2.380  -9.778   3.553
  257   2HB   GLN  30          2HB       GLN  30   3.203  -9.342   2.059
  258   1HG   GLN  30          1HG       GLN  30   4.869 -11.137   2.429
  259   2HG   GLN  30          2HG       GLN  30   4.066 -11.580   3.939
  260   1HE2  GLN  30          1HE2      GLN  30   1.835 -12.526   3.797
  261   2HE2  GLN  30          2HE2      GLN  30   1.359 -13.266   2.272
  262    H    TYR  31           H        TYR  31   4.452  -7.205   1.897
  263    HA   TYR  31           HA       TYR  31   6.915  -8.196   0.735
  264   1HB   TYR  31          1HB       TYR  31   4.989  -7.183  -0.508
  265   2HB   TYR  31          2HB       TYR  31   5.393  -5.621   0.181
  266    HD1  TYR  31           1HD      TYR  31   6.632  -4.194  -1.222
  267    HD2  TYR  31           2HD      TYR  31   7.126  -8.442  -1.603
  268    HE1  TYR  31           1HE      TYR  31   8.191  -3.847  -3.135
  269    HE2  TYR  31           2HE      TYR  31   8.582  -8.074  -3.633
  270    HH   TYR  31           HH       TYR  31   9.407  -4.818  -4.799
  271    H    VAL  32           H        VAL  32   6.108  -5.493   2.799
  272    HA   VAL  32           HA       VAL  32   8.703  -4.322   2.577
  273    HB   VAL  32           HB       VAL  32   6.415  -3.197   2.908
  274   1HG1  VAL  32          1HG1      VAL  32   5.557  -2.800   5.081
  275   2HG1  VAL  32          2HG1      VAL  32   5.936  -4.522   5.027
  276   3HG1  VAL  32          3HG1      VAL  32   7.018  -3.427   5.884
  277   1HG2  VAL  32          1HG2      VAL  32   7.287  -1.263   4.212
  278   2HG2  VAL  32          2HG2      VAL  32   8.742  -2.183   4.603
  279   3HG2  VAL  32          3HG2      VAL  32   8.355  -1.774   2.909
  280    H    LYS  33           H        LYS  33   7.400  -6.660   4.686
  281    HA   LYS  33           HA       LYS  33   9.774  -6.510   6.520
  282   1HB   LYS  33          1HB       LYS  33   8.806  -7.991   7.971
  283   2HB   LYS  33          2HB       LYS  33   7.475  -6.964   7.452
  284   1HG   LYS  33          1HG       LYS  33   6.785  -8.785   5.852
  285   2HG   LYS  33          2HG       LYS  33   8.055  -9.817   6.510
  286   1HD   LYS  33          1HD       LYS  33   5.743  -8.623   8.106
  287   2HD   LYS  33          2HD       LYS  33   5.793 -10.264   7.449
  288   1HE   LYS  33          1HE       LYS  33   7.828 -10.754   8.795
  289   2HE   LYS  33          2HE       LYS  33   7.753  -9.130   9.491
  290   1HZ   LYS  33          1HZ       LYS  33   6.705 -10.758  10.952
  291   2HZ   LYS  33          2HZ       LYS  33   5.572  -9.705  10.428
  292   3HZ   LYS  33          3HZ       LYS  33   5.649 -11.211   9.797
  293    H    ASP  34           H        ASP  34   8.841  -8.004   3.647
  294    HA   ASP  34           HA       ASP  34  10.755 -10.221   3.631
  295   1HB   ASP  34          1HB       ASP  34   8.703  -9.125   1.873
  296   2HB   ASP  34          2HB       ASP  34  10.158  -9.307   0.965
  297    H    THR  35           H        THR  35  10.634  -7.072   1.966
  298    HA   THR  35           HA       THR  35  13.648  -6.934   1.893
  299    HB   THR  35           HB       THR  35  13.528  -5.989  -0.348
  300    HG1  THR  35           1HG      THR  35  10.806  -6.761  -0.369
  301   1HG2  THR  35          1HG2      THR  35  12.094  -8.672  -0.316
  302   2HG2  THR  35          2HG2      THR  35  12.987  -7.952  -1.666
  303   3HG2  THR  35          3HG2      THR  35  13.852  -8.430  -0.193
  304    H    GLY  36           H        GLY  36  10.599  -5.308   2.313
  305   1HA   GLY  36          1HA       GLY  36  10.235  -3.212   3.270
  306   2HA   GLY  36          2HA       GLY  36  11.921  -2.785   3.080
  307    H    ASN  37           H        ASN  37  11.262  -3.958   0.103
  308    HA   ASN  37           HA       ASN  37  11.455  -1.332  -1.045
  309   1HB   ASN  37          1HB       ASN  37  10.889  -4.096  -2.209
  310   2HB   ASN  37          2HB       ASN  37  11.228  -2.683  -3.175
  311   1HD2  ASN  37          2HD2      ASN  37  12.790  -5.024  -3.318
  312   2HD2  ASN  37          1HD2      ASN  37  14.395  -4.576  -2.750
  313    H    ASP  38           H        ASP  38  10.061  -0.109  -2.279
  314    HA   ASP  38           HA       ASP  38   7.194  -0.417  -2.069
  315   1HB   ASP  38          1HB       ASP  38   9.035   1.433  -3.503
  316   2HB   ASP  38          2HB       ASP  38   7.556   1.093  -4.358
  317    HA   PRO  39           HA       PRO  39   6.735  -3.845  -4.916
  318   1HB   PRO  39          1HB       PRO  39   4.135  -2.478  -5.613
  319   2HB   PRO  39          2HB       PRO  39   4.440  -4.217  -5.288
  320   1HG   PRO  39          1HG       PRO  39   3.408  -2.660  -3.358
  321   2HG   PRO  39          2HG       PRO  39   4.741  -3.784  -2.947
  322   1HD   PRO  39          1HD       PRO  39   4.874  -0.806  -3.428
  323   2HD   PRO  39          2HD       PRO  39   5.686  -1.815  -2.189
  324    H    ILE  40           H        ILE  40   6.819  -0.644  -6.253
  325    HA   ILE  40           HA       ILE  40   6.891  -1.720  -9.069
  326    HB   ILE  40           HB       ILE  40   5.616   0.821  -8.028
  327   1HG1  ILE  40          1HG1      ILE  40   4.374  -1.378  -9.745
  328   2HG1  ILE  40          2HG1      ILE  40   4.360  -1.461  -7.985
  329   1HG2  ILE  40          1HG2      ILE  40   6.097  -0.011 -10.930
  330   2HG2  ILE  40          2HG2      ILE  40   5.072   1.343 -10.419
  331   3HG2  ILE  40          3HG2      ILE  40   6.792   1.410 -10.108
  332   1HD1  ILE  40          1HD1      ILE  40   2.268  -0.552  -8.734
  333   2HD1  ILE  40          2HD1      ILE  40   3.183   0.675  -7.834
  334   3HD1  ILE  40          3HD1      ILE  40   3.079   0.759  -9.610
  335    H    THR  41           H        THR  41   8.056   0.932  -6.939
  336    HA   THR  41           HA       THR  41  10.169   1.625  -8.881
  337    HB   THR  41           HB       THR  41  10.838   3.328  -7.167
  338    HG1  THR  41           1HG      THR  41   8.326   2.618  -6.162
  339   1HG2  THR  41          1HG2      THR  41   9.408   3.924  -9.086
  340   2HG2  THR  41          2HG2      THR  41   7.960   3.450  -8.170
  341   3HG2  THR  41          3HG2      THR  41   8.955   4.818  -7.627
  342    H    ASN  42           H        ASN  42   9.830  -0.615  -6.326
  343    HA   ASN  42           HA       ASN  42  11.002  -1.560  -4.826
  344   1HB   ASN  42          1HB       ASN  42  12.760  -2.870  -5.530
  345   2HB   ASN  42          2HB       ASN  42  11.669  -2.697  -6.885
  346   1HD2  ASN  42          1HD2      ASN  42  14.660  -1.159  -5.589
  347   2HD2  ASN  42          2HD2      ASN  42  15.414  -0.982  -7.181
  348    H    GLU  43           H        GLU  43  11.146   1.325  -4.646
  349    HA   GLU  43           HA       GLU  43  13.704   2.121  -3.597
  350   1HB   GLU  43          1HB       GLU  43  10.869   3.116  -3.199
  351   2HB   GLU  43          2HB       GLU  43  12.277   3.922  -2.503
  352   1HG   GLU  43          1HG       GLU  43  12.449   3.293  -5.441
  353   2HG   GLU  43          2HG       GLU  43  11.227   4.436  -4.968
  354    HA   PRO  44           HA       PRO  44  13.474  -0.546   0.040
  355   1HB   PRO  44          1HB       PRO  44  15.646   1.319   1.008
  356   2HB   PRO  44          2HB       PRO  44  15.571  -0.470   1.098
  357   1HG   PRO  44          1HG       PRO  44  17.064   0.729  -0.809
  358   2HG   PRO  44          2HG       PRO  44  16.028  -0.674  -1.240
  359   1HD   PRO  44          1HD       PRO  44  15.461   2.272  -1.645
  360   2HD   PRO  44          2HD       PRO  44  15.236   0.907  -2.778
  361    H    LEU  45           H        LEU  45  12.102  -0.462   1.608
  362    HA   LEU  45           HA       LEU  45  10.918   0.009   3.442
  363   1HB   LEU  45          1HB       LEU  45  12.442   2.622   3.702
  364   2HB   LEU  45          2HB       LEU  45  11.071   2.169   4.687
  365    HG   LEU  45           HG       LEU  45  12.278   0.084   5.404
  366   1HD1  LEU  45          1HD1      LEU  45  14.022  -0.201   3.731
  367   2HD1  LEU  45          2HD1      LEU  45  14.662   1.430   4.051
  368   3HD1  LEU  45          3HD1      LEU  45  14.789   0.145   5.272
  369   1HD2  LEU  45          1HD2      LEU  45  13.648   2.745   6.004
  370   2HD2  LEU  45          2HD2      LEU  45  12.161   2.146   6.774
  371   3HD2  LEU  45          3HD2      LEU  45  13.688   1.290   7.026
  372    H    SER  46           H        SER  46   8.917   0.870   3.832
  373    HA   SER  46           HA       SER  46   7.632   2.467   1.708
  374   1HB   SER  46          1HB       SER  46   7.753  -0.060   1.132
  375   2HB   SER  46          2HB       SER  46   6.452  -0.221   2.312
  376    HG   SER  46           HG       SER  46   6.548   1.380  -0.034
  377    H    ILE  47           H        ILE  47   6.594   0.291   4.325
  378    HA   ILE  47           HA       ILE  47   4.541   1.777   5.200
  379    HB   ILE  47           HB       ILE  47   5.103  -0.614   5.529
  380   1HG1  ILE  47          1HG1      ILE  47   4.243   0.341   8.245
  381   2HG1  ILE  47          2HG1      ILE  47   3.270   0.801   6.843
  382   1HG2  ILE  47          1HG2      ILE  47   6.663   0.287   7.992
  383   2HG2  ILE  47          2HG2      ILE  47   6.344  -1.380   7.492
  384   3HG2  ILE  47          3HG2      ILE  47   7.388  -0.350   6.504
  385   1HD1  ILE  47          1HD1      ILE  47   4.061  -2.056   7.535
  386   2HD1  ILE  47          2HD1      ILE  47   2.449  -1.325   7.754
  387   3HD1  ILE  47          3HD1      ILE  47   3.125  -1.546   6.116
  388    H    GLU  48           H        GLU  48   7.788   2.357   6.091
  389    HA   GLU  48           HA       GLU  48   7.248   4.093   8.374
  390   1HB   GLU  48          1HB       GLU  48   9.708   3.745   6.612
  391   2HB   GLU  48          2HB       GLU  48   9.640   4.805   8.016
  392   1HG   GLU  48          1HG       GLU  48   9.249   1.783   8.072
  393   2HG   GLU  48          2HG       GLU  48  10.707   2.650   8.543
  394    H    GLU  49           H        GLU  49   6.588   4.367   5.128
  395    HA   GLU  49           HA       GLU  49   6.408   7.350   5.242
  396   1HB   GLU  49          1HB       GLU  49   7.305   5.651   2.872
  397   2HB   GLU  49          2HB       GLU  49   6.960   7.386   2.808
  398   1HG   GLU  49          1HG       GLU  49   8.740   7.771   4.534
  399   2HG   GLU  49          2HG       GLU  49   9.178   6.061   4.416
  400    H    ILE  50           H        ILE  50   4.616   4.804   5.492
  401    HA   ILE  50           HA       ILE  50   2.867   4.612   3.398
  402    HB   ILE  50           HB       ILE  50   3.162   3.128   5.342
  403   1HG1  ILE  50          1HG1      ILE  50   0.202   3.549   4.947
  404   2HG1  ILE  50          2HG1      ILE  50   1.256   3.059   3.610
  405   1HG2  ILE  50          1HG2      ILE  50   1.090   4.814   6.803
  406   2HG2  ILE  50          2HG2      ILE  50   1.904   3.356   7.394
  407   3HG2  ILE  50          3HG2      ILE  50   2.825   4.843   7.165
  408   1HD1  ILE  50          1HD1      ILE  50   0.241   1.106   4.757
  409   2HD1  ILE  50          2HD1      ILE  50   2.007   1.092   4.799
  410   3HD1  ILE  50          3HD1      ILE  50   1.065   1.545   6.247
  411    H    VAL  51           H        VAL  51   1.063   5.302   2.773
  412    HA   VAL  51           HA       VAL  51  -0.441   7.533   4.121
  413    HB   VAL  51           HB       VAL  51  -0.231   7.103   1.124
  414   1HG1  VAL  51          1HG1      VAL  51  -2.385   8.119   1.835
  415   2HG1  VAL  51          2HG1      VAL  51  -1.498   9.348   2.761
  416   3HG1  VAL  51          3HG1      VAL  51  -1.373   9.290   0.990
  417   1HG2  VAL  51          1HG2      VAL  51   1.899   7.977   1.950
  418   2HG2  VAL  51          2HG2      VAL  51   1.013   9.245   1.102
  419   3HG2  VAL  51          3HG2      VAL  51   1.053   9.229   2.882
  420    H    GLU  52           H        GLU  52  -1.706   6.016   5.280
  421    HA   GLU  52           HA       GLU  52  -3.329   4.037   3.851
  422   1HB   GLU  52          1HB       GLU  52  -2.633   3.596   6.111
  423   2HB   GLU  52          2HB       GLU  52  -3.484   5.034   6.715
  424   1HG   GLU  52          1HG       GLU  52  -5.639   4.077   6.172
  425   2HG   GLU  52          2HG       GLU  52  -4.895   2.777   5.238
  426    H    ILE  53           H        ILE  53  -5.178   4.270   2.890
  427    HA   ILE  53           HA       ILE  53  -6.328   6.937   2.531
  428    HB   ILE  53           HB       ILE  53  -7.104   4.291   1.254
  429   1HG1  ILE  53          1HG1      ILE  53  -4.774   4.594   0.728
  430   2HG1  ILE  53          2HG1      ILE  53  -5.761   4.897  -0.679
  431   1HG2  ILE  53          1HG2      ILE  53  -7.988   5.755  -0.565
  432   2HG2  ILE  53          2HG2      ILE  53  -8.824   6.005   0.970
  433   3HG2  ILE  53          3HG2      ILE  53  -7.619   7.183   0.427
  434   1HD1  ILE  53          1HD1      ILE  53  -3.891   6.484  -0.519
  435   2HD1  ILE  53          2HD1      ILE  53  -5.433   7.346  -0.409
  436   3HD1  ILE  53          3HD1      ILE  53  -4.467   7.045   1.059
  437    H    VAL  54           H        VAL  54  -7.010   7.136   4.706
  438    HA   VAL  54           HA       VAL  54  -8.975   5.543   6.000
  439    HB   VAL  54           HB       VAL  54  -9.394   7.559   7.425
  440   1HG1  VAL  54          1HG1      VAL  54  -6.455   6.896   6.970
  441   2HG1  VAL  54          2HG1      VAL  54  -7.176   7.579   8.444
  442   3HG1  VAL  54          3HG1      VAL  54  -7.602   5.939   7.934
  443   1HG2  VAL  54          1HG2      VAL  54  -8.017   9.552   7.199
  444   2HG2  VAL  54          2HG2      VAL  54  -7.287   8.940   5.706
  445   3HG2  VAL  54          3HG2      VAL  54  -9.015   9.355   5.753
  446    HA   PRO  55           HA       PRO  55 -12.762   6.605   3.971
  447   1HB   PRO  55          1HB       PRO  55 -14.659   6.150   5.885
  448   2HB   PRO  55          2HB       PRO  55 -13.674   4.845   5.153
  449   1HG   PRO  55          1HG       PRO  55 -13.170   6.312   7.768
  450   2HG   PRO  55          2HG       PRO  55 -13.228   4.539   7.493
  451   1HD   PRO  55          1HD       PRO  55 -10.876   5.880   7.532
  452   2HD   PRO  55          2HD       PRO  55 -11.148   4.555   6.362
  453    H    SER  56           H        SER  56 -11.687   8.546   6.598
  454    HA   SER  56           HA       SER  56 -13.674  10.372   7.132
  455   1HB   SER  56          1HB       SER  56 -10.716  11.000   6.826
  456   2HB   SER  56          2HB       SER  56 -11.897  11.887   7.809
  457    HG   SER  56           HG       SER  56 -10.713  10.420   9.090
  Start of MODEL    2
    1    H    MET   1           H        MET   1  -6.724   2.486  -8.138
    2    HA   MET   1           HA       MET   1  -7.246   1.812  -5.915
    3   1HB   MET   1          1HB       MET   1  -9.231   2.534  -7.283
    4   2HB   MET   1          2HB       MET   1  -9.588   0.842  -7.599
    5   1HG   MET   1          1HG       MET   1 -10.998   1.767  -5.824
    6   2HG   MET   1          2HG       MET   1 -10.017   0.443  -5.232
    7   1HE   MET   1          1HE       MET   1 -10.710   4.287  -5.199
    8   2HE   MET   1          2HE       MET   1  -9.434   4.922  -4.139
    9   3HE   MET   1          3HE       MET   1  -9.021   4.318  -5.756
   10    H    LEU   2           H        LEU   2  -6.696  -0.723  -8.065
   11    HA   LEU   2           HA       LEU   2  -6.947  -2.792  -5.940
   12   1HB   LEU   2          1HB       LEU   2  -7.153  -4.493  -7.538
   13   2HB   LEU   2          2HB       LEU   2  -8.297  -3.241  -7.932
   14    HG   LEU   2           HG       LEU   2  -7.572  -4.038  -9.956
   15   1HD1  LEU   2          1HD1      LEU   2  -7.527  -1.565  -9.932
   16   2HD1  LEU   2          2HD1      LEU   2  -5.763  -1.627  -9.658
   17   3HD1  LEU   2          3HD1      LEU   2  -6.461  -2.283 -11.145
   18   1HD2  LEU   2          1HD2      LEU   2  -4.652  -3.874  -9.151
   19   2HD2  LEU   2          2HD2      LEU   2  -5.650  -5.343  -9.251
   20   3HD2  LEU   2          3HD2      LEU   2  -5.306  -4.407 -10.708
   21    H    CYS   3           H        CYS   3  -5.350  -4.163  -5.359
   22    HA   CYS   3           HA       CYS   3  -3.047  -2.826  -4.972
   23   1HB   CYS   3          1HB       CYS   3  -3.260  -5.831  -4.597
   24   2HB   CYS   3          2HB       CYS   3  -2.487  -4.666  -3.598
   25    HG   CYS   3           HG       CYS   3  -4.716  -6.125  -2.894
   26    H    ALA   4           H        ALA   4  -1.010  -2.777  -5.507
   27    HA   ALA   4           HA       ALA   4  -0.272  -3.616  -8.208
   28   1HB   ALA   4          1HB       ALA   4   0.647  -1.626  -7.209
   29   2HB   ALA   4          2HB       ALA   4   1.640  -2.636  -6.103
   30   3HB   ALA   4          3HB       ALA   4   1.870  -2.729  -7.844
   31    H    ILE   5           H        ILE   5  -0.036  -4.997  -5.054
   32    HA   ILE   5           HA       ILE   5   2.133  -6.891  -5.616
   33    HB   ILE   5           HB       ILE   5   0.525  -6.174  -3.147
   34   1HG1  ILE   5          1HG1      ILE   5   3.491  -5.858  -3.757
   35   2HG1  ILE   5          2HG1      ILE   5   2.294  -4.600  -4.060
   36   1HG2  ILE   5          1HG2      ILE   5   1.099  -8.596  -2.968
   37   2HG2  ILE   5          2HG2      ILE   5   2.762  -8.261  -3.496
   38   3HG2  ILE   5          3HG2      ILE   5   2.192  -7.694  -1.927
   39   1HD1  ILE   5          1HD1      ILE   5   1.699  -4.557  -1.643
   40   2HD1  ILE   5          2HD1      ILE   5   2.996  -5.741  -1.328
   41   3HD1  ILE   5          3HD1      ILE   5   3.394  -4.143  -1.956
   42    H    SER   6           H        SER   6  -1.328  -7.273  -4.646
   43    HA   SER   6           HA       SER   6  -1.277  -9.986  -5.916
   44   1HB   SER   6          1HB       SER   6  -2.668 -10.880  -4.284
   45   2HB   SER   6          2HB       SER   6  -1.433  -9.969  -3.397
   46    HG   SER   6           HG       SER   6  -3.571  -9.551  -2.650
   47    H    GLY   7           H        GLY   7  -2.925  -6.959  -5.927
   48   1HA   GLY   7          1HA       GLY   7  -4.471  -6.217  -7.507
   49   2HA   GLY   7          2HA       GLY   7  -4.540  -7.875  -8.104
   50    H    LYS   8           H        LYS   8  -5.057  -7.738  -4.874
   51    HA   LYS   8           HA       LYS   8  -7.761  -8.738  -4.886
   52   1HB   LYS   8          1HB       LYS   8  -6.006  -9.454  -3.398
   53   2HB   LYS   8          2HB       LYS   8  -5.713  -7.815  -2.829
   54   1HG   LYS   8          1HG       LYS   8  -7.877  -7.830  -1.666
   55   2HG   LYS   8          2HG       LYS   8  -8.212  -9.473  -2.280
   56   1HD   LYS   8          1HD       LYS   8  -6.102 -10.216  -1.123
   57   2HD   LYS   8          2HD       LYS   8  -5.937  -8.588  -0.454
   58   1HE   LYS   8          1HE       LYS   8  -8.281 -10.504  -0.010
   59   2HE   LYS   8          2HE       LYS   8  -6.996 -10.185   1.158
   60   1HZ   LYS   8          1HZ       LYS   8  -8.906  -8.115   0.182
   61   2HZ   LYS   8          2HZ       LYS   8  -9.011  -8.891   1.616
   62   3HZ   LYS   8          3HZ       LYS   8  -7.753  -7.890   1.324
   63    H    VAL   9           H        VAL   9  -9.457  -7.869  -3.474
   64    HA   VAL   9           HA       VAL   9 -10.004  -4.966  -3.799
   65    HB   VAL   9           HB       VAL   9 -11.706  -7.163  -2.543
   66   1HG1  VAL   9          1HG1      VAL   9 -13.525  -5.478  -2.687
   67   2HG1  VAL   9          2HG1      VAL   9 -12.253  -4.944  -1.592
   68   3HG1  VAL   9          3HG1      VAL   9 -12.354  -4.255  -3.227
   69   1HG2  VAL   9          1HG2      VAL   9 -11.472  -7.460  -4.980
   70   2HG2  VAL   9          2HG2      VAL   9 -13.095  -6.896  -4.581
   71   3HG2  VAL   9          3HG2      VAL   9 -11.901  -5.758  -5.246
   72    HA   PRO  10           HA       PRO  10  -7.667  -4.943   0.038
   73   1HB   PRO  10          1HB       PRO  10  -7.255  -2.275   0.404
   74   2HB   PRO  10          2HB       PRO  10  -6.465  -3.207  -0.900
   75   1HG   PRO  10          1HG       PRO  10  -8.972  -1.518  -1.125
   76   2HG   PRO  10          2HG       PRO  10  -7.511  -1.485  -2.167
   77   1HD   PRO  10          1HD       PRO  10  -9.719  -2.926  -2.848
   78   2HD   PRO  10          2HD       PRO  10  -8.072  -3.535  -3.184
   79    H    ARG  11           H        ARG  11  -8.320  -5.267   2.044
   80    HA   ARG  11           HA       ARG  11 -10.814  -4.197   3.189
   81   1HB   ARG  11          1HB       ARG  11  -8.513  -5.822   4.370
   82   2HB   ARG  11          2HB       ARG  11  -9.926  -5.288   5.289
   83   1HG   ARG  11          1HG       ARG  11 -11.424  -6.541   3.735
   84   2HG   ARG  11          2HG       ARG  11 -10.009  -7.085   2.827
   85   1HD   ARG  11          1HD       ARG  11 -10.656  -8.865   4.296
   86   2HD   ARG  11          2HD       ARG  11  -9.136  -8.184   4.902
   87    HE   ARG  11           HE       ARG  11 -11.433  -6.940   6.168
   88   1HH1  ARG  11          2HH2      ARG  11  -9.583  -9.908   6.344
   89   2HH1  ARG  11          1HH2      ARG  11 -10.022 -10.180   8.011
   90   1HH2  ARG  11          2HH1      ARG  11 -11.942  -7.333   8.275
   91   2HH2  ARG  11          1HH1      ARG  11 -11.328  -8.762   9.060
   92    H    ARG  12           H        ARG  12  -7.316  -3.582   3.547
   93    HA   ARG  12           HA       ARG  12  -8.026  -0.844   4.609
   94   1HB   ARG  12          1HB       ARG  12  -5.824  -2.689   5.536
   95   2HB   ARG  12          2HB       ARG  12  -5.801  -0.933   5.798
   96   1HG   ARG  12          1HG       ARG  12  -7.995  -1.076   6.952
   97   2HG   ARG  12          2HG       ARG  12  -7.984  -2.839   6.750
   98   1HD   ARG  12          1HD       ARG  12  -5.923  -2.998   8.086
   99   2HD   ARG  12          2HD       ARG  12  -5.876  -1.244   8.280
  100    HE   ARG  12           HE       ARG  12  -7.610  -3.165   9.670
  101   1HH1  ARG  12          2HH2      ARG  12  -7.264   0.254   8.973
  102   2HH1  ARG  12          1HH2      ARG  12  -8.302   0.705  10.299
  103   1HH2  ARG  12          2HH1      ARG  12  -8.923  -2.515  11.310
  104   2HH2  ARG  12          1HH1      ARG  12  -9.208  -0.819  11.572
  105    HA   PRO  13           HA       PRO  13  -5.983  -0.282   0.528
  106   1HB   PRO  13          1HB       PRO  13  -7.122   2.249   0.136
  107   2HB   PRO  13          2HB       PRO  13  -7.771   0.693  -0.453
  108   1HG   PRO  13          1HG       PRO  13  -8.494   2.156   2.104
  109   2HG   PRO  13          2HG       PRO  13  -9.596   1.419   0.890
  110   1HD   PRO  13          1HD       PRO  13  -9.062   0.030   3.077
  111   2HD   PRO  13          2HD       PRO  13  -8.847  -0.788   1.483
  112    H    VAL  14           H        VAL  14  -4.134   0.353   0.473
  113    HA   VAL  14           HA       VAL  14  -2.959   2.549   2.158
  114    HB   VAL  14           HB       VAL  14  -2.521  -0.409   2.215
  115   1HG1  VAL  14          1HG1      VAL  14  -0.333   0.189   1.343
  116   2HG1  VAL  14          2HG1      VAL  14  -0.139   1.423   2.594
  117   3HG1  VAL  14          3HG1      VAL  14  -0.252  -0.317   3.012
  118   1HG2  VAL  14          1HG2      VAL  14  -1.981   0.109   4.570
  119   2HG2  VAL  14          2HG2      VAL  14  -2.027   1.831   4.203
  120   3HG2  VAL  14          3HG2      VAL  14  -3.515   0.855   4.096
  121    H    LEU  15           H        LEU  15  -1.296   3.656   1.339
  122    HA   LEU  15           HA       LEU  15  -0.356   3.046  -1.440
  123   1HB   LEU  15          1HB       LEU  15  -2.203   4.557  -1.548
  124   2HB   LEU  15          2HB       LEU  15  -1.584   5.589  -0.282
  125    HG   LEU  15           HG       LEU  15   0.055   5.299  -2.809
  126   1HD1  LEU  15          1HD1      LEU  15  -2.427   7.047  -2.543
  127   2HD1  LEU  15          2HD1      LEU  15  -1.240   7.116  -3.866
  128   3HD1  LEU  15          3HD1      LEU  15  -2.231   5.669  -3.646
  129   1HD2  LEU  15          1HD2      LEU  15  -0.597   7.738  -1.097
  130   2HD2  LEU  15          2HD2      LEU  15   0.842   6.742  -0.860
  131   3HD2  LEU  15          3HD2      LEU  15   0.625   7.622  -2.378
  132    H    SER  16           H        SER  16   1.611   4.067  -2.023
  133    HA   SER  16           HA       SER  16   3.279   5.310   0.087
  134   1HB   SER  16          1HB       SER  16   4.268   3.211   0.103
  135   2HB   SER  16          2HB       SER  16   4.054   2.980  -1.628
  136    HG   SER  16           HG       SER  16   6.041   3.564  -1.636
  137    HA   PRO  17           HA       PRO  17   3.232   8.409  -3.164
  138   1HB   PRO  17          1HB       PRO  17   5.768   9.292  -1.779
  139   2HB   PRO  17          2HB       PRO  17   4.385  10.286  -2.346
  140   1HG   PRO  17          1HG       PRO  17   4.607   9.647   0.266
  141   2HG   PRO  17          2HG       PRO  17   3.009   9.516  -0.543
  142   1HD   PRO  17          1HD       PRO  17   4.995   7.313   0.072
  143   2HD   PRO  17          2HD       PRO  17   3.217   7.347   0.286
  144    H    LYS  18           H        LYS  18   5.773   6.137  -2.868
  145    HA   LYS  18           HA       LYS  18   7.351   7.071  -5.209
  146   1HB   LYS  18          1HB       LYS  18   7.653   4.401  -3.817
  147   2HB   LYS  18          2HB       LYS  18   8.819   5.272  -4.776
  148   1HG   LYS  18          1HG       LYS  18   8.952   7.001  -2.918
  149   2HG   LYS  18          2HG       LYS  18   7.821   5.996  -1.986
  150   1HD   LYS  18          1HD       LYS  18   9.566   4.063  -2.546
  151   2HD   LYS  18          2HD       LYS  18  10.667   5.425  -2.796
  152   1HE   LYS  18          1HE       LYS  18  10.972   4.667  -0.566
  153   2HE   LYS  18          2HE       LYS  18  10.074   6.185  -0.429
  154   1HZ   LYS  18          1HZ       LYS  18   9.265   4.186   0.911
  155   2HZ   LYS  18          2HZ       LYS  18   8.079   4.931   0.007
  156   3HZ   LYS  18          3HZ       LYS  18   8.741   3.525  -0.473
  157    H    SER  19           H        SER  19   5.656   4.097  -4.330
  158    HA   SER  19           HA       SER  19   5.324   3.003  -6.931
  159   1HB   SER  19          1HB       SER  19   3.779   2.563  -4.345
  160   2HB   SER  19          2HB       SER  19   3.544   1.600  -5.811
  161    HG   SER  19           HG       SER  19   5.803   1.813  -4.145
  162    H    ARG  20           H        ARG  20   3.299   5.347  -5.268
  163    HA   ARG  20           HA       ARG  20   1.306   6.413  -5.809
  164   1HB   ARG  20          1HB       ARG  20   2.578   6.350  -8.574
  165   2HB   ARG  20          2HB       ARG  20   1.266   7.420  -8.059
  166   1HG   ARG  20          1HG       ARG  20   2.758   8.391  -6.296
  167   2HG   ARG  20          2HG       ARG  20   4.068   7.355  -6.875
  168   1HD   ARG  20          1HD       ARG  20   4.398   9.523  -7.808
  169   2HD   ARG  20          2HD       ARG  20   3.925   8.419  -9.113
  170    HE   ARG  20           HE       ARG  20   1.614   9.782  -8.007
  171   1HH1  ARG  20          2HH2      ARG  20   4.303  10.426 -10.155
  172   2HH1  ARG  20          1HH2      ARG  20   3.433  11.675 -11.007
  173   1HH2  ARG  20          2HH1      ARG  20   0.569  11.372  -9.125
  174   2HH2  ARG  20          1HH1      ARG  20   1.377  12.191 -10.433
  175    H    THR  21           H        THR  21   0.758   3.911  -5.453
  176    HA   THR  21           HA       THR  21  -1.610   3.338  -7.162
  177    HB   THR  21           HB       THR  21   0.276   1.795  -7.896
  178    HG1  THR  21           1HG      THR  21  -0.982   0.018  -7.831
  179   1HG2  THR  21          1HG2      THR  21  -0.024   0.436  -5.219
  180   2HG2  THR  21          2HG2      THR  21   1.248   0.248  -6.449
  181   3HG2  THR  21          3HG2      THR  21   1.216   1.684  -5.451
  182    H    ILE  22           H        ILE  22  -2.941   1.496  -5.877
  183    HA   ILE  22           HA       ILE  22  -2.715   1.958  -2.939
  184    HB   ILE  22           HB       ILE  22  -5.298   1.788  -4.477
  185   1HG1  ILE  22          1HG1      ILE  22  -4.183   4.093  -2.806
  186   2HG1  ILE  22          2HG1      ILE  22  -4.155   4.043  -4.568
  187   1HG2  ILE  22          1HG2      ILE  22  -6.391   2.035  -2.270
  188   2HG2  ILE  22          2HG2      ILE  22  -5.402   0.591  -2.295
  189   3HG2  ILE  22          3HG2      ILE  22  -4.800   2.048  -1.477
  190   1HD1  ILE  22          1HD1      ILE  22  -6.647   4.178  -2.839
  191   2HD1  ILE  22          2HD1      ILE  22  -5.979   5.435  -3.889
  192   3HD1  ILE  22          3HD1      ILE  22  -6.640   3.952  -4.610
  193    H    PHE  23           H        PHE  23  -2.186   0.188  -2.075
  194    HA   PHE  23           HA       PHE  23  -3.127  -2.442  -3.083
  195   1HB   PHE  23          1HB       PHE  23  -0.928  -3.198  -1.638
  196   2HB   PHE  23          2HB       PHE  23  -0.974  -3.034  -3.379
  197    HD1  PHE  23           1HD      PHE  23   0.905  -2.020  -4.250
  198    HD2  PHE  23           2HD      PHE  23  -0.492  -0.890  -0.432
  199    HE1  PHE  23           1HE      PHE  23   2.615  -0.241  -4.234
  200    HE2  PHE  23           2HE      PHE  23   1.199   1.027  -0.366
  201    HZ   PHE  23           HZ       PHE  23   2.772   1.302  -2.278
  202    H    GLU  24           H        GLU  24  -3.025  -4.116  -1.462
  203    HA   GLU  24           HA       GLU  24  -4.752  -3.288   0.734
  204   1HB   GLU  24          1HB       GLU  24  -5.467  -5.248  -0.241
  205   2HB   GLU  24          2HB       GLU  24  -3.893  -5.897  -0.410
  206   1HG   GLU  24          1HG       GLU  24  -4.812  -7.233   1.238
  207   2HG   GLU  24          2HG       GLU  24  -3.874  -6.106   2.202
  208    H    LYS  25           H        LYS  25  -4.022  -2.883   2.890
  209    HA   LYS  25           HA       LYS  25  -1.419  -2.249   3.583
  210   1HB   LYS  25          1HB       LYS  25  -3.440  -1.669   4.893
  211   2HB   LYS  25          2HB       LYS  25  -3.624  -3.358   5.371
  212   1HG   LYS  25          1HG       LYS  25  -1.489  -3.298   6.585
  213   2HG   LYS  25          2HG       LYS  25  -1.174  -1.649   6.011
  214   1HD   LYS  25          1HD       LYS  25  -3.202  -0.859   7.196
  215   2HD   LYS  25          2HD       LYS  25  -3.508  -2.493   7.798
  216   1HE   LYS  25          1HE       LYS  25  -0.944  -0.929   8.346
  217   2HE   LYS  25          2HE       LYS  25  -2.366  -0.846   9.384
  218   1HZ   LYS  25          1HZ       LYS  25  -0.736  -3.294   8.877
  219   2HZ   LYS  25          2HZ       LYS  25  -0.875  -2.473  10.262
  220   3HZ   LYS  25          3HZ       LYS  25  -2.163  -3.291   9.694
  221    H    SER  26           H        SER  26  -3.157  -5.273   3.995
  222    HA   SER  26           HA       SER  26  -1.272  -6.637   5.465
  223   1HB   SER  26          1HB       SER  26  -3.167  -7.934   3.473
  224   2HB   SER  26          2HB       SER  26  -2.418  -8.714   4.880
  225    HG   SER  26           HG       SER  26  -4.534  -8.018   5.372
  226    H    LEU  27           H        LEU  27  -1.356  -6.310   1.928
  227    HA   LEU  27           HA       LEU  27   0.726  -8.360   1.503
  228   1HB   LEU  27          1HB       LEU  27   0.340  -6.549  -0.735
  229   2HB   LEU  27          2HB       LEU  27   0.249  -8.299  -0.670
  230    HG   LEU  27           HG       LEU  27  -2.006  -6.485   0.141
  231   1HD1  LEU  27          1HD1      LEU  27  -2.906  -6.919  -2.153
  232   2HD1  LEU  27          2HD1      LEU  27  -1.450  -5.911  -2.087
  233   3HD1  LEU  27          3HD1      LEU  27  -1.327  -7.630  -2.550
  234   1HD2  LEU  27          1HD2      LEU  27  -2.025  -9.400  -0.706
  235   2HD2  LEU  27          2HD2      LEU  27  -2.287  -8.781   0.940
  236   3HD2  LEU  27          3HD2      LEU  27  -3.457  -8.411  -0.325
  237    H    LEU  28           H        LEU  28   0.465  -4.802   1.613
  238    HA   LEU  28           HA       LEU  28   3.178  -4.338   0.734
  239   1HB   LEU  28          1HB       LEU  28   1.444  -2.522   0.780
  240   2HB   LEU  28          2HB       LEU  28   1.550  -2.525   2.543
  241    HG   LEU  28           HG       LEU  28   4.095  -2.085   2.253
  242   1HD1  LEU  28          1HD1      LEU  28   3.179  -1.517  -0.593
  243   2HD1  LEU  28          2HD1      LEU  28   4.720  -0.985   0.097
  244   3HD1  LEU  28          3HD1      LEU  28   4.394  -2.707  -0.081
  245   1HD2  LEU  28          1HD2      LEU  28   3.781   0.315   1.884
  246   2HD2  LEU  28          2HD2      LEU  28   2.126   0.002   1.323
  247   3HD2  LEU  28          3HD2      LEU  28   2.578  -0.363   2.995
  248    H    GLU  29           H        GLU  29   1.642  -4.649   3.944
  249    HA   GLU  29           HA       GLU  29   3.876  -4.375   5.637
  250   1HB   GLU  29          1HB       GLU  29   1.482  -4.406   6.265
  251   2HB   GLU  29          2HB       GLU  29   1.441  -6.156   6.015
  252   1HG   GLU  29          1HG       GLU  29   3.128  -6.436   7.804
  253   2HG   GLU  29          2HG       GLU  29   3.216  -4.680   8.006
  254    H    GLN  30           H        GLN  30   2.658  -7.305   3.980
  255    HA   GLN  30           HA       GLN  30   4.604  -9.141   5.008
  256   1HB   GLN  30          1HB       GLN  30   2.485  -9.665   3.703
  257   2HB   GLN  30          2HB       GLN  30   3.344  -9.224   2.233
  258   1HG   GLN  30          1HG       GLN  30   5.042 -10.970   2.677
  259   2HG   GLN  30          2HG       GLN  30   4.212 -11.408   4.174
  260   1HE2  GLN  30          1HE2      GLN  30   2.135 -12.552   4.027
  261   2HE2  GLN  30          2HE2      GLN  30   1.665 -13.278   2.491
  262    H    TYR  31           H        TYR  31   4.623  -7.128   2.060
  263    HA   TYR  31           HA       TYR  31   7.108  -8.148   1.023
  264   1HB   TYR  31          1HB       TYR  31   5.227  -7.189  -0.298
  265   2HB   TYR  31          2HB       TYR  31   5.577  -5.604   0.373
  266    HD1  TYR  31           1HD      TYR  31   7.484  -8.400  -1.271
  267    HD2  TYR  31           2HD      TYR  31   6.756  -4.172  -1.062
  268    HE1  TYR  31           1HE      TYR  31   8.980  -8.026  -3.273
  269    HE2  TYR  31           2HE      TYR  31   8.393  -3.823  -2.919
  270    HH   TYR  31           HH       TYR  31   9.984  -6.504  -4.619
  271    H    VAL  32           H        VAL  32   6.253  -5.368   2.970
  272    HA   VAL  32           HA       VAL  32   8.871  -4.222   2.787
  273    HB   VAL  32           HB       VAL  32   6.584  -3.084   3.017
  274   1HG1  VAL  32          1HG1      VAL  32   7.116  -3.214   6.018
  275   2HG1  VAL  32          2HG1      VAL  32   5.704  -2.546   5.166
  276   3HG1  VAL  32          3HG1      VAL  32   5.994  -4.283   5.170
  277   1HG2  VAL  32          1HG2      VAL  32   8.872  -2.013   4.720
  278   2HG2  VAL  32          2HG2      VAL  32   8.528  -1.688   2.994
  279   3HG2  VAL  32          3HG2      VAL  32   7.424  -1.109   4.238
  280    H    LYS  33           H        LYS  33   7.459  -6.450   4.908
  281    HA   LYS  33           HA       LYS  33   9.669  -6.374   6.938
  282   1HB   LYS  33          1HB       LYS  33   7.272  -8.228   6.566
  283   2HB   LYS  33          2HB       LYS  33   8.504  -8.437   7.830
  284   1HG   LYS  33          1HG       LYS  33   8.062  -6.215   8.711
  285   2HG   LYS  33          2HG       LYS  33   6.890  -5.899   7.424
  286   1HD   LYS  33          1HD       LYS  33   5.458  -7.742   8.245
  287   2HD   LYS  33          2HD       LYS  33   6.603  -8.085   9.548
  288   1HE   LYS  33          1HE       LYS  33   5.158  -5.420   9.152
  289   2HE   LYS  33          2HE       LYS  33   4.574  -6.717  10.198
  290   1HZ   LYS  33          1HZ       LYS  33   6.624  -6.513  11.504
  291   2HZ   LYS  33          2HZ       LYS  33   7.160  -5.294  10.557
  292   3HZ   LYS  33          3HZ       LYS  33   5.828  -5.091  11.474
  293    H    ASP  34           H        ASP  34   8.886  -7.838   4.055
  294    HA   ASP  34           HA       ASP  34  10.756 -10.114   4.060
  295   1HB   ASP  34          1HB       ASP  34   8.781  -9.006   2.234
  296   2HB   ASP  34          2HB       ASP  34  10.251  -9.263   1.358
  297    H    THR  35           H        THR  35  10.772  -7.015   2.303
  298    HA   THR  35           HA       THR  35  13.787  -6.956   2.316
  299    HB   THR  35           HB       THR  35  13.743  -6.047   0.047
  300    HG1  THR  35           1HG      THR  35  11.007  -6.770  -0.012
  301   1HG2  THR  35          1HG2      THR  35  14.013  -8.499   0.286
  302   2HG2  THR  35          2HG2      THR  35  12.257  -8.704   0.107
  303   3HG2  THR  35          3HG2      THR  35  13.215  -8.038  -1.232
  304    H    GLY  36           H        GLY  36  10.770  -5.251   2.617
  305   1HA   GLY  36          1HA       GLY  36  10.445  -3.116   3.524
  306   2HA   GLY  36          2HA       GLY  36  12.133  -2.724   3.314
  307    H    ASN  37           H        ASN  37  11.510  -4.001   0.370
  308    HA   ASN  37           HA       ASN  37  11.701  -1.442  -0.857
  309   1HB   ASN  37          1HB       ASN  37  11.104  -4.228  -1.928
  310   2HB   ASN  37          2HB       ASN  37  11.422  -2.847  -2.951
  311   1HD2  ASN  37          1HD2      ASN  37  12.984  -5.169  -3.066
  312   2HD2  ASN  37          2HD2      ASN  37  14.599  -4.724  -2.521
  313    H    ASP  38           H        ASP  38  10.343  -0.300  -2.192
  314    HA   ASP  38           HA       ASP  38   7.435  -0.578  -2.001
  315   1HB   ASP  38          1HB       ASP  38   9.376   1.280  -3.314
  316   2HB   ASP  38          2HB       ASP  38   7.918   0.997  -4.233
  317    HA   PRO  39           HA       PRO  39   7.300  -3.913  -4.909
  318   1HB   PRO  39          1HB       PRO  39   4.690  -3.934  -5.742
  319   2HB   PRO  39          2HB       PRO  39   5.229  -4.349  -4.082
  320   1HG   PRO  39          1HG       PRO  39   4.246  -1.655  -5.088
  321   2HG   PRO  39          2HG       PRO  39   3.627  -2.593  -3.684
  322   1HD   PRO  39          1HD       PRO  39   5.435  -0.644  -3.297
  323   2HD   PRO  39          2HD       PRO  39   5.626  -2.200  -2.437
  324    H    ILE  40           H        ILE  40   7.179  -0.752  -6.110
  325    HA   ILE  40           HA       ILE  40   7.141  -1.670  -8.982
  326    HB   ILE  40           HB       ILE  40   5.843   0.733  -7.696
  327   1HG1  ILE  40          1HG1      ILE  40   4.702  -1.141  -9.814
  328   2HG1  ILE  40          2HG1      ILE  40   4.707  -1.619  -8.119
  329   1HG2  ILE  40          1HG2      ILE  40   6.468   0.381 -10.662
  330   2HG2  ILE  40          2HG2      ILE  40   5.338   1.580 -10.004
  331   3HG2  ILE  40          3HG2      ILE  40   7.044   1.684  -9.602
  332   1HD1  ILE  40          1HD1      ILE  40   3.415   0.294  -7.470
  333   2HD1  ILE  40          2HD1      ILE  40   3.384   0.921  -9.134
  334   3HD1  ILE  40          3HD1      ILE  40   2.570  -0.603  -8.746
  335    H    THR  41           H        THR  41   8.403   0.838  -6.743
  336    HA   THR  41           HA       THR  41  10.524   1.535  -8.682
  337    HB   THR  41           HB       THR  41  11.236   3.211  -7.021
  338    HG1  THR  41           1HG      THR  41   8.832   2.411  -5.827
  339   1HG2  THR  41          1HG2      THR  41   8.281   3.353  -7.780
  340   2HG2  THR  41          2HG2      THR  41   9.323   4.711  -7.312
  341   3HG2  THR  41          3HG2      THR  41   9.646   3.831  -8.816
  342    H    ASN  42           H        ASN  42  10.153  -0.735  -6.155
  343    HA   ASN  42           HA       ASN  42  11.321  -1.683  -4.629
  344   1HB   ASN  42          1HB       ASN  42  13.001  -3.070  -5.321
  345   2HB   ASN  42          2HB       ASN  42  11.888  -2.910  -6.654
  346   1HD2  ASN  42          1HD2      ASN  42  14.974  -1.450  -5.497
  347   2HD2  ASN  42          2HD2      ASN  42  15.679  -1.351  -7.118
  348    H    GLU  43           H        GLU  43  11.550   1.167  -4.501
  349    HA   GLU  43           HA       GLU  43  14.177   1.814  -3.425
  350   1HB   GLU  43          1HB       GLU  43  11.429   3.033  -3.151
  351   2HB   GLU  43          2HB       GLU  43  12.863   3.760  -2.430
  352   1HG   GLU  43          1HG       GLU  43  13.136   3.096  -5.334
  353   2HG   GLU  43          2HG       GLU  43  11.872   4.237  -4.965
  354    HA   PRO  44           HA       PRO  44  13.546  -0.566   0.268
  355   1HB   PRO  44          1HB       PRO  44  15.624   0.283   1.853
  356   2HB   PRO  44          2HB       PRO  44  15.822  -0.760   0.414
  357   1HG   PRO  44          1HG       PRO  44  16.160   2.250   0.598
  358   2HG   PRO  44          2HG       PRO  44  17.259   1.054  -0.158
  359   1HD   PRO  44          1HD       PRO  44  15.472   2.479  -1.629
  360   2HD   PRO  44          2HD       PRO  44  15.820   0.765  -2.015
  361    H    LEU  45           H        LEU  45  12.181  -0.414   1.795
  362    HA   LEU  45           HA       LEU  45  10.971   0.074   3.571
  363   1HB   LEU  45          1HB       LEU  45  12.726   2.479   4.000
  364   2HB   LEU  45          2HB       LEU  45  11.307   2.160   4.982
  365    HG   LEU  45           HG       LEU  45  13.423   0.006   4.601
  366   1HD1  LEU  45          1HD1      LEU  45  14.576   2.006   5.463
  367   2HD1  LEU  45          2HD1      LEU  45  13.361   2.164   6.753
  368   3HD1  LEU  45          3HD1      LEU  45  14.449   0.758   6.711
  369   1HD2  LEU  45          1HD2      LEU  45  11.402   0.554   6.821
  370   2HD2  LEU  45          2HD2      LEU  45  11.268  -0.715   5.585
  371   3HD2  LEU  45          3HD2      LEU  45  12.567  -0.782   6.772
  372    H    SER  46           H        SER  46   9.012   0.761   3.839
  373    HA   SER  46           HA       SER  46   7.798   2.583   1.834
  374   1HB   SER  46          1HB       SER  46   7.902  -0.008   1.287
  375   2HB   SER  46          2HB       SER  46   6.489  -0.053   2.336
  376    HG   SER  46           HG       SER  46   6.892   1.512  -0.010
  377    H    ILE  47           H        ILE  47   7.119   0.468   4.594
  378    HA   ILE  47           HA       ILE  47   4.970   1.808   5.669
  379    HB   ILE  47           HB       ILE  47   5.854  -0.471   6.269
  380   1HG1  ILE  47          1HG1      ILE  47   5.363  -0.468   8.697
  381   2HG1  ILE  47          2HG1      ILE  47   5.309   1.299   8.677
  382   1HG2  ILE  47          1HG2      ILE  47   8.262   0.136   6.554
  383   2HG2  ILE  47          2HG2      ILE  47   7.843   0.943   8.082
  384   3HG2  ILE  47          3HG2      ILE  47   7.602  -0.797   7.896
  385   1HD1  ILE  47          1HD1      ILE  47   3.053   0.204   8.493
  386   2HD1  ILE  47          2HD1      ILE  47   3.433   1.239   7.107
  387   3HD1  ILE  47          3HD1      ILE  47   3.569  -0.523   6.948
  388    H    GLU  48           H        GLU  48   8.259   2.681   6.002
  389    HA   GLU  48           HA       GLU  48   7.936   4.748   8.025
  390   1HB   GLU  48          1HB       GLU  48  10.112   4.265   5.948
  391   2HB   GLU  48          2HB       GLU  48  10.213   5.453   7.243
  392   1HG   GLU  48          1HG       GLU  48   9.998   2.438   7.641
  393   2HG   GLU  48          2HG       GLU  48  11.469   3.387   7.746
  394    H    GLU  49           H        GLU  49   6.851   4.467   4.876
  395    HA   GLU  49           HA       GLU  49   6.625   7.438   4.515
  396   1HB   GLU  49          1HB       GLU  49   7.298   5.374   2.377
  397   2HB   GLU  49          2HB       GLU  49   6.953   7.068   2.049
  398   1HG   GLU  49          1HG       GLU  49   9.321   5.978   3.622
  399   2HG   GLU  49          2HG       GLU  49   9.345   6.593   1.981
  400    H    ILE  50           H        ILE  50   4.915   4.877   5.214
  401    HA   ILE  50           HA       ILE  50   3.004   4.589   3.226
  402    HB   ILE  50           HB       ILE  50   3.500   3.087   5.136
  403   1HG1  ILE  50          1HG1      ILE  50   0.518   3.484   4.755
  404   2HG1  ILE  50          2HG1      ILE  50   1.584   2.832   3.503
  405   1HG2  ILE  50          1HG2      ILE  50   3.177   4.819   6.966
  406   2HG2  ILE  50          2HG2      ILE  50   1.432   4.705   6.694
  407   3HG2  ILE  50          3HG2      ILE  50   2.336   3.298   7.263
  408   1HD1  ILE  50          1HD1      ILE  50   1.220   1.595   6.265
  409   2HD1  ILE  50          2HD1      ILE  50   0.497   1.022   4.770
  410   3HD1  ILE  50          3HD1      ILE  50   2.256   0.981   4.947
  411    H    VAL  51           H        VAL  51   1.115   5.175   2.807
  412    HA   VAL  51           HA       VAL  51  -0.384   7.347   4.262
  413    HB   VAL  51           HB       VAL  51  -0.347   6.864   1.262
  414   1HG1  VAL  51          1HG1      VAL  51  -2.571   7.625   2.012
  415   2HG1  VAL  51          2HG1      VAL  51  -1.821   8.958   2.916
  416   3HG1  VAL  51          3HG1      VAL  51  -1.736   8.913   1.145
  417   1HG2  VAL  51          1HG2      VAL  51   0.727   9.200   2.901
  418   2HG2  VAL  51          2HG2      VAL  51   1.702   8.011   2.012
  419   3HG2  VAL  51          3HG2      VAL  51   0.653   9.121   1.126
  420    H    GLU  52           H        GLU  52  -1.685   6.024   5.494
  421    HA   GLU  52           HA       GLU  52  -3.063   3.731   4.226
  422   1HB   GLU  52          1HB       GLU  52  -3.462   4.596   7.089
  423   2HB   GLU  52          2HB       GLU  52  -3.703   3.007   6.344
  424   1HG   GLU  52          1HG       GLU  52  -1.283   2.699   6.149
  425   2HG   GLU  52          2HG       GLU  52  -0.990   4.311   6.801
  426    H    ILE  53           H        ILE  53  -4.979   3.930   3.269
  427    HA   ILE  53           HA       ILE  53  -6.760   6.249   3.741
  428    HB   ILE  53           HB       ILE  53  -6.956   3.946   1.750
  429   1HG1  ILE  53          1HG1      ILE  53  -6.524   6.151   0.200
  430   2HG1  ILE  53          2HG1      ILE  53  -5.585   6.619   1.603
  431   1HG2  ILE  53          1HG2      ILE  53  -8.601   5.389   0.581
  432   2HG2  ILE  53          2HG2      ILE  53  -9.165   4.858   2.149
  433   3HG2  ILE  53          3HG2      ILE  53  -8.554   6.525   1.946
  434   1HD1  ILE  53          1HD1      ILE  53  -5.265   4.047  -0.029
  435   2HD1  ILE  53          2HD1      ILE  53  -4.227   5.480  -0.114
  436   3HD1  ILE  53          3HD1      ILE  53  -4.254   4.499   1.357
  437    H    VAL  54           H        VAL  54  -8.994   5.883   4.326
  438    HA   VAL  54           HA       VAL  54  -9.337   4.164   6.569
  439    HB   VAL  54           HB       VAL  54 -11.746   4.814   6.472
  440   1HG1  VAL  54          1HG1      VAL  54 -10.067   6.193   7.639
  441   2HG1  VAL  54          2HG1      VAL  54  -9.799   7.133   6.156
  442   3HG1  VAL  54          3HG1      VAL  54 -11.382   7.170   6.958
  443   1HG2  VAL  54          1HG2      VAL  54 -12.058   5.022   4.018
  444   2HG2  VAL  54          2HG2      VAL  54 -12.527   6.492   4.885
  445   3HG2  VAL  54          3HG2      VAL  54 -10.991   6.440   4.003
  446    HA   PRO  55           HA       PRO  55 -10.721   0.348   4.736
  447   1HB   PRO  55          1HB       PRO  55 -12.090  -0.840   6.774
  448   2HB   PRO  55          2HB       PRO  55 -10.325  -0.568   6.827
  449   1HG   PRO  55          1HG       PRO  55 -12.499   1.177   8.028
  450   2HG   PRO  55          2HG       PRO  55 -11.027   0.534   8.829
  451   1HD   PRO  55          1HD       PRO  55 -11.100   3.046   7.794
  452   2HD   PRO  55          2HD       PRO  55  -9.625   2.042   7.672
  453    H    SER  56           H        SER  56 -12.991   2.779   5.643
  454    HA   SER  56           HA       SER  56 -15.500   1.725   5.323
  455   1HB   SER  56          1HB       SER  56 -14.583   4.441   4.299
  456   2HB   SER  56          2HB       SER  56 -16.227   3.985   4.795
  457    HG   SER  56           HG       SER  56 -15.148   5.074   6.478
  Start of MODEL    3
    1    H    MET   1           H        MET   1  -6.230   2.180  -8.738
    2    HA   MET   1           HA       MET   1  -6.649   1.625  -6.441
    3   1HB   MET   1          1HB       MET   1  -9.136   0.896  -8.045
    4   2HB   MET   1          2HB       MET   1  -9.118   1.249  -6.319
    5   1HG   MET   1          1HG       MET   1  -8.410   3.161  -8.564
    6   2HG   MET   1          2HG       MET   1  -9.856   3.198  -7.565
    7   1HE   MET   1          1HE       MET   1  -8.469   4.407  -4.080
    8   2HE   MET   1          2HE       MET   1  -9.891   3.853  -4.989
    9   3HE   MET   1          3HE       MET   1  -8.601   2.704  -4.561
   10    H    LEU   2           H        LEU   2  -6.061  -0.971  -8.326
   11    HA   LEU   2           HA       LEU   2  -6.621  -2.970  -6.150
   12   1HB   LEU   2          1HB       LEU   2  -5.959  -3.440  -9.086
   13   2HB   LEU   2          2HB       LEU   2  -6.190  -4.703  -7.878
   14    HG   LEU   2           HG       LEU   2  -8.338  -2.754  -8.827
   15   1HD1  LEU   2          1HD1      LEU   2  -7.709  -4.448 -10.501
   16   2HD1  LEU   2          2HD1      LEU   2  -7.963  -5.738  -9.304
   17   3HD1  LEU   2          3HD1      LEU   2  -9.336  -4.747  -9.861
   18   1HD2  LEU   2          1HD2      LEU   2  -9.900  -4.232  -7.579
   19   2HD2  LEU   2          2HD2      LEU   2  -8.511  -5.120  -6.907
   20   3HD2  LEU   2          3HD2      LEU   2  -8.778  -3.404  -6.499
   21    H    CYS   3           H        CYS   3  -5.070  -4.440  -5.493
   22    HA   CYS   3           HA       CYS   3  -2.816  -2.927  -4.759
   23   1HB   CYS   3          1HB       CYS   3  -3.944  -4.409  -3.235
   24   2HB   CYS   3          2HB       CYS   3  -3.792  -5.740  -4.328
   25    HG   CYS   3           HG       CYS   3  -2.388  -6.195  -2.226
   26    H    ALA   4           H        ALA   4  -0.807  -3.109  -5.010
   27    HA   ALA   4           HA       ALA   4   0.170  -4.075  -7.669
   28   1HB   ALA   4          1HB       ALA   4   2.063  -2.691  -7.440
   29   2HB   ALA   4          2HB       ALA   4   0.660  -1.717  -6.960
   30   3HB   ALA   4          3HB       ALA   4   1.768  -2.390  -5.734
   31    H    ILE   5           H        ILE   5   0.316  -4.999  -4.349
   32    HA   ILE   5           HA       ILE   5   2.685  -6.732  -4.618
   33    HB   ILE   5           HB       ILE   5   0.561  -6.499  -2.454
   34   1HG1  ILE   5          1HG1      ILE   5   2.865  -5.989  -1.193
   35   2HG1  ILE   5          2HG1      ILE   5   3.364  -5.485  -2.800
   36   1HG2  ILE   5          1HG2      ILE   5   2.999  -8.360  -2.672
   37   2HG2  ILE   5          2HG2      ILE   5   2.096  -8.101  -1.176
   38   3HG2  ILE   5          3HG2      ILE   5   1.300  -8.871  -2.547
   39   1HD1  ILE   5          1HD1      ILE   5   0.904  -4.501  -1.270
   40   2HD1  ILE   5          2HD1      ILE   5   2.434  -3.627  -1.418
   41   3HD1  ILE   5          3HD1      ILE   5   1.435  -3.893  -2.853
   42    H    SER   6           H        SER   6  -0.887  -7.329  -4.487
   43    HA   SER   6           HA       SER   6  -0.407  -9.767  -6.139
   44   1HB   SER   6          1HB       SER   6  -0.481 -10.179  -3.569
   45   2HB   SER   6          2HB       SER   6  -2.240 -10.015  -3.786
   46    HG   SER   6           HG       SER   6  -1.495 -12.189  -3.992
   47    H    GLY   7           H        GLY   7  -2.408  -6.988  -5.819
   48   1HA   GLY   7          1HA       GLY   7  -3.953  -6.401  -7.488
   49   2HA   GLY   7          2HA       GLY   7  -3.994  -8.086  -7.969
   50    H    LYS   8           H        LYS   8  -4.392  -7.986  -4.820
   51    HA   LYS   8           HA       LYS   8  -7.124  -8.787  -4.541
   52   1HB   LYS   8          1HB       LYS   8  -5.200  -9.270  -3.050
   53   2HB   LYS   8          2HB       LYS   8  -5.097  -7.565  -2.606
   54   1HG   LYS   8          1HG       LYS   8  -7.329  -7.729  -1.510
   55   2HG   LYS   8          2HG       LYS   8  -7.461  -9.427  -2.038
   56   1HD   LYS   8          1HD       LYS   8  -5.312  -9.908  -0.821
   57   2HD   LYS   8          2HD       LYS   8  -5.325  -8.238  -0.214
   58   1HE   LYS   8          1HE       LYS   8  -7.587  -8.713   0.823
   59   2HE   LYS   8          2HE       LYS   8  -7.433 -10.393   0.290
   60   1HZ   LYS   8          1HZ       LYS   8  -5.357 -10.494   1.658
   61   2HZ   LYS   8          2HZ       LYS   8  -5.685  -8.981   2.240
   62   3HZ   LYS   8          3HZ       LYS   8  -6.692 -10.233   2.549
   63    H    VAL   9           H        VAL   9  -8.936  -7.677  -4.014
   64    HA   VAL   9           HA       VAL   9  -9.225  -4.810  -4.438
   65    HB   VAL   9           HB       VAL   9 -11.159  -6.779  -3.149
   66   1HG1  VAL   9          1HG1      VAL   9 -12.864  -5.058  -3.716
   67   2HG1  VAL   9          2HG1      VAL   9 -11.689  -4.430  -2.561
   68   3HG1  VAL   9          3HG1      VAL   9 -11.578  -3.962  -4.273
   69   1HG2  VAL   9          1HG2      VAL   9 -11.021  -5.731  -6.012
   70   2HG2  VAL   9          2HG2      VAL   9 -10.672  -7.394  -5.498
   71   3HG2  VAL   9          3HG2      VAL   9 -12.306  -6.747  -5.333
   72    HA   PRO  10           HA       PRO  10  -7.148  -4.297  -0.521
   73   1HB   PRO  10          1HB       PRO  10  -7.986  -1.413  -0.799
   74   2HB   PRO  10          2HB       PRO  10  -6.394  -2.101  -0.347
   75   1HG   PRO  10          1HG       PRO  10  -6.818  -1.202  -2.856
   76   2HG   PRO  10          2HG       PRO  10  -5.970  -2.763  -2.606
   77   1HD   PRO  10          1HD       PRO  10  -8.895  -2.303  -3.264
   78   2HD   PRO  10          2HD       PRO  10  -7.734  -3.424  -4.020
   79    H    ARG  11           H        ARG  11  -8.222  -5.263   1.109
   80    HA   ARG  11           HA       ARG  11 -10.728  -4.517   2.318
   81   1HB   ARG  11          1HB       ARG  11  -8.300  -5.804   3.638
   82   2HB   ARG  11          2HB       ARG  11  -9.933  -5.751   4.304
   83   1HG   ARG  11          1HG       ARG  11 -10.767  -7.097   2.376
   84   2HG   ARG  11          2HG       ARG  11  -9.106  -7.240   1.776
   85   1HD   ARG  11          1HD       ARG  11 -10.161  -8.228   4.455
   86   2HD   ARG  11          2HD       ARG  11  -9.744  -9.238   3.063
   87    HE   ARG  11           HE       ARG  11  -7.389  -7.853   3.560
   88   1HH1  ARG  11          2HH2      ARG  11  -9.300  -9.850   5.721
   89   2HH1  ARG  11          1HH2      ARG  11  -7.919 -10.141   6.748
   90   1HH2  ARG  11          2HH1      ARG  11  -5.811  -8.213   4.784
   91   2HH2  ARG  11          1HH1      ARG  11  -5.932  -9.210   6.240
   92    H    ARG  12           H        ARG  12  -7.401  -3.691   3.250
   93    HA   ARG  12           HA       ARG  12  -8.352  -1.112   4.493
   94   1HB   ARG  12          1HB       ARG  12  -6.038  -2.912   5.243
   95   2HB   ARG  12          2HB       ARG  12  -6.257  -1.264   5.857
   96   1HG   ARG  12          1HG       ARG  12  -8.435  -1.899   6.840
   97   2HG   ARG  12          2HG       ARG  12  -8.259  -3.547   6.210
   98   1HD   ARG  12          1HD       ARG  12  -6.217  -3.862   7.559
   99   2HD   ARG  12          2HD       ARG  12  -6.384  -2.211   8.200
  100    HE   ARG  12           HE       ARG  12  -8.827  -3.454   8.740
  101   1HH1  ARG  12          2HH2      ARG  12  -5.529  -4.095   9.727
  102   2HH1  ARG  12          1HH2      ARG  12  -6.035  -4.802  11.240
  103   1HH2  ARG  12          2HH1      ARG  12  -9.394  -4.367  10.661
  104   2HH2  ARG  12          1HH1      ARG  12  -8.162  -4.959  11.739
  105    HA   PRO  13           HA       PRO  13  -6.090  -0.120   0.616
  106   1HB   PRO  13          1HB       PRO  13  -7.178   2.425   0.265
  107   2HB   PRO  13          2HB       PRO  13  -7.854   0.906  -0.367
  108   1HG   PRO  13          1HG       PRO  13  -8.583   2.308   2.224
  109   2HG   PRO  13          2HG       PRO  13  -9.682   1.647   0.966
  110   1HD   PRO  13          1HD       PRO  13  -9.220   0.155   3.109
  111   2HD   PRO  13          2HD       PRO  13  -9.000  -0.600   1.486
  112    H    VAL  14           H        VAL  14  -4.241   0.495   0.589
  113    HA   VAL  14           HA       VAL  14  -3.080   2.639   2.339
  114    HB   VAL  14           HB       VAL  14  -2.643  -0.312   2.394
  115   1HG1  VAL  14          1HG1      VAL  14  -0.273   1.525   2.838
  116   2HG1  VAL  14          2HG1      VAL  14  -0.381  -0.222   3.217
  117   3HG1  VAL  14          3HG1      VAL  14  -0.435   0.322   1.552
  118   1HG2  VAL  14          1HG2      VAL  14  -2.133   0.204   4.755
  119   2HG2  VAL  14          2HG2      VAL  14  -2.154   1.923   4.395
  120   3HG2  VAL  14          3HG2      VAL  14  -3.656   0.965   4.266
  121    H    LEU  15           H        LEU  15  -1.361   3.695   1.606
  122    HA   LEU  15           HA       LEU  15  -0.522   3.306  -1.243
  123   1HB   LEU  15          1HB       LEU  15  -2.204   4.972  -1.193
  124   2HB   LEU  15          2HB       LEU  15  -1.654   5.629   0.325
  125    HG   LEU  15           HG       LEU  15   0.331   6.624  -0.776
  126   1HD1  LEU  15          1HD1      LEU  15   0.391   6.893  -3.166
  127   2HD1  LEU  15          2HD1      LEU  15   0.407   5.153  -2.833
  128   3HD1  LEU  15          3HD1      LEU  15  -1.090   5.927  -3.377
  129   1HD2  LEU  15          1HD2      LEU  15  -0.910   8.444  -1.838
  130   2HD2  LEU  15          2HD2      LEU  15  -2.361   7.429  -1.941
  131   3HD2  LEU  15          3HD2      LEU  15  -1.725   7.916  -0.357
  132    H    SER  16           H        SER  16   1.545   3.986  -1.748
  133    HA   SER  16           HA       SER  16   3.301   5.233   0.291
  134   1HB   SER  16          1HB       SER  16   4.115   3.016   0.371
  135   2HB   SER  16          2HB       SER  16   4.051   2.844  -1.389
  136    HG   SER  16           HG       SER  16   6.141   3.316  -0.878
  137    HA   PRO  17           HA       PRO  17   3.068   8.052  -3.224
  138   1HB   PRO  17          1HB       PRO  17   5.429   9.259  -1.764
  139   2HB   PRO  17          2HB       PRO  17   4.027  10.090  -2.514
  140   1HG   PRO  17          1HG       PRO  17   4.081   9.689   0.158
  141   2HG   PRO  17          2HG       PRO  17   2.573   9.362  -0.759
  142   1HD   PRO  17          1HD       PRO  17   4.640   7.383   0.222
  143   2HD   PRO  17          2HD       PRO  17   2.853   7.288   0.261
  144    H    LYS  18           H        LYS  18   5.741   6.006  -2.620
  145    HA   LYS  18           HA       LYS  18   7.562   6.984  -4.708
  146   1HB   LYS  18          1HB       LYS  18   7.450   4.505  -2.946
  147   2HB   LYS  18          2HB       LYS  18   8.579   4.652  -4.287
  148   1HG   LYS  18          1HG       LYS  18   9.942   5.474  -2.677
  149   2HG   LYS  18          2HG       LYS  18   9.209   6.965  -3.190
  150   1HD   LYS  18          1HD       LYS  18   9.236   7.081  -0.838
  151   2HD   LYS  18          2HD       LYS  18   7.559   6.727  -1.229
  152   1HE   LYS  18          1HE       LYS  18   8.343   5.495   0.726
  153   2HE   LYS  18          2HE       LYS  18   7.872   4.393  -0.571
  154   1HZ   LYS  18          1HZ       LYS  18  10.705   5.161  -0.146
  155   2HZ   LYS  18          2HZ       LYS  18  10.012   3.812   0.513
  156   3HZ   LYS  18          3HZ       LYS  18  10.048   3.937  -1.074
  157    H    SER  19           H        SER  19   5.229   4.259  -4.479
  158    HA   SER  19           HA       SER  19   5.436   3.810  -7.414
  159   1HB   SER  19          1HB       SER  19   4.167   2.244  -5.150
  160   2HB   SER  19          2HB       SER  19   4.060   1.795  -6.868
  161    HG   SER  19           HG       SER  19   6.444   2.137  -5.346
  162    H    ARG  20           H        ARG  20   3.383   5.242  -5.017
  163    HA   ARG  20           HA       ARG  20   1.508   6.436  -5.019
  164   1HB   ARG  20          1HB       ARG  20   2.668   7.685  -6.743
  165   2HB   ARG  20          2HB       ARG  20   1.990   6.661  -8.003
  166   1HG   ARG  20          1HG       ARG  20   0.923   8.865  -7.891
  167   2HG   ARG  20          2HG       ARG  20  -0.222   7.554  -7.666
  168   1HD   ARG  20          1HD       ARG  20  -0.052   7.978  -5.140
  169   2HD   ARG  20          2HD       ARG  20   0.957   9.372  -5.515
  170    HE   ARG  20           HE       ARG  20  -0.949  10.545  -6.173
  171   1HH1  ARG  20          2HH2      ARG  20  -1.886   7.155  -6.005
  172   2HH1  ARG  20          1HH2      ARG  20  -3.584   7.557  -6.095
  173   1HH2  ARG  20          2HH1      ARG  20  -3.109  10.950  -6.326
  174   2HH2  ARG  20          1HH1      ARG  20  -4.249   9.633  -6.295
  175    H    THR  21           H        THR  21   1.366   3.390  -6.299
  176    HA   THR  21           HA       THR  21  -1.408   3.172  -7.034
  177    HB   THR  21           HB       THR  21  -0.884   0.760  -6.912
  178    HG1  THR  21           1HG      THR  21   0.557   0.866  -5.105
  179   1HG2  THR  21          1HG2      THR  21   0.721   0.660  -8.637
  180   2HG2  THR  21          2HG2      THR  21  -0.039   2.246  -8.861
  181   3HG2  THR  21          3HG2      THR  21   1.563   2.119  -8.076
  182    H    ILE  22           H        ILE  22  -2.889   1.548  -5.812
  183    HA   ILE  22           HA       ILE  22  -2.733   2.009  -2.860
  184    HB   ILE  22           HB       ILE  22  -5.253   1.596  -4.449
  185   1HG1  ILE  22          1HG1      ILE  22  -4.462   3.744  -5.193
  186   2HG1  ILE  22          2HG1      ILE  22  -5.858   3.923  -4.151
  187   1HG2  ILE  22          1HG2      ILE  22  -6.346   2.370  -2.353
  188   2HG2  ILE  22          2HG2      ILE  22  -5.414   0.888  -2.126
  189   3HG2  ILE  22          3HG2      ILE  22  -4.753   2.433  -1.564
  190   1HD1  ILE  22          1HD1      ILE  22  -4.418   4.645  -2.280
  191   2HD1  ILE  22          2HD1      ILE  22  -2.981   4.428  -3.310
  192   3HD1  ILE  22          3HD1      ILE  22  -4.188   5.660  -3.710
  193    H    PHE  23           H        PHE  23  -2.237   0.235  -1.870
  194    HA   PHE  23           HA       PHE  23  -3.121  -2.431  -2.878
  195   1HB   PHE  23          1HB       PHE  23  -0.972  -3.095  -1.383
  196   2HB   PHE  23          2HB       PHE  23  -0.992  -2.918  -3.135
  197    HD1  PHE  23           1HD      PHE  23   0.683  -1.716  -4.101
  198    HD2  PHE  23           2HD      PHE  23  -0.400  -0.989  -0.100
  199    HE1  PHE  23           1HE      PHE  23   2.378   0.099  -4.062
  200    HE2  PHE  23           2HE      PHE  23   1.187   1.047  -0.031
  201    HZ   PHE  23           HZ       PHE  23   2.573   1.529  -2.030
  202    H    GLU  24           H        GLU  24  -2.989  -4.098  -1.067
  203    HA   GLU  24           HA       GLU  24  -4.782  -3.151   1.029
  204   1HB   GLU  24          1HB       GLU  24  -4.566  -5.535  -0.236
  205   2HB   GLU  24          2HB       GLU  24  -3.589  -5.883   1.192
  206   1HG   GLU  24          1HG       GLU  24  -6.243  -4.594   1.685
  207   2HG   GLU  24          2HG       GLU  24  -6.293  -6.205   0.990
  208    H    LYS  25           H        LYS  25  -4.135  -2.764   3.235
  209    HA   LYS  25           HA       LYS  25  -1.557  -2.028   3.997
  210   1HB   LYS  25          1HB       LYS  25  -3.656  -1.474   5.202
  211   2HB   LYS  25          2HB       LYS  25  -3.801  -3.156   5.728
  212   1HG   LYS  25          1HG       LYS  25  -1.750  -3.022   7.013
  213   2HG   LYS  25          2HG       LYS  25  -1.367  -1.427   6.347
  214   1HD   LYS  25          1HD       LYS  25  -3.326  -0.447   7.460
  215   2HD   LYS  25          2HD       LYS  25  -3.791  -2.047   8.090
  216   1HE   LYS  25          1HE       LYS  25  -1.720  -2.201   9.382
  217   2HE   LYS  25          2HE       LYS  25  -1.118  -0.698   8.661
  218   1HZ   LYS  25          1HZ       LYS  25  -3.516  -0.874  10.405
  219   2HZ   LYS  25          2HZ       LYS  25  -2.058  -0.290  10.860
  220   3HZ   LYS  25          3HZ       LYS  25  -2.922   0.497   9.715
  221    H    SER  26           H        SER  26  -3.282  -5.111   4.347
  222    HA   SER  26           HA       SER  26  -1.254  -6.406   5.818
  223   1HB   SER  26          1HB       SER  26  -3.633  -7.149   5.657
  224   2HB   SER  26          2HB       SER  26  -3.292  -7.764   4.025
  225    HG   SER  26           HG       SER  26  -3.100  -9.390   5.661
  226    H    LEU  27           H        LEU  27  -1.794  -6.346   2.251
  227    HA   LEU  27           HA       LEU  27   0.244  -8.298   1.673
  228   1HB   LEU  27          1HB       LEU  27  -1.050  -6.223  -0.142
  229   2HB   LEU  27          2HB       LEU  27  -0.073  -7.590  -0.605
  230    HG   LEU  27           HG       LEU  27  -2.939  -7.460  -0.078
  231   1HD1  LEU  27          1HD1      LEU  27  -2.972  -9.322  -1.598
  232   2HD1  LEU  27          2HD1      LEU  27  -1.840  -8.093  -2.195
  233   3HD1  LEU  27          3HD1      LEU  27  -1.218  -9.552  -1.393
  234   1HD2  LEU  27          1HD2      LEU  27  -3.159  -9.831   0.668
  235   2HD2  LEU  27          2HD2      LEU  27  -1.434  -9.836   1.078
  236   3HD2  LEU  27          3HD2      LEU  27  -2.573  -8.760   1.935
  237    H    LEU  28           H        LEU  28   0.183  -4.725   1.761
  238    HA   LEU  28           HA       LEU  28   2.896  -4.402   0.777
  239   1HB   LEU  28          1HB       LEU  28   1.297  -2.496   0.867
  240   2HB   LEU  28          2HB       LEU  28   1.376  -2.539   2.629
  241    HG   LEU  28           HG       LEU  28   3.962  -2.223   2.365
  242   1HD1  LEU  28          1HD1      LEU  28   3.089  -1.425  -0.437
  243   2HD1  LEU  28          2HD1      LEU  28   4.672  -1.094   0.287
  244   3HD1  LEU  28          3HD1      LEU  28   4.187  -2.759  -0.011
  245   1HD2  LEU  28          1HD2      LEU  28   2.583  -0.490   3.223
  246   2HD2  LEU  28          2HD2      LEU  28   3.749   0.206   2.089
  247   3HD2  LEU  28          3HD2      LEU  28   2.053  -0.027   1.605
  248    H    GLU  29           H        GLU  29   1.416  -4.728   4.045
  249    HA   GLU  29           HA       GLU  29   3.754  -4.402   5.613
  250   1HB   GLU  29          1HB       GLU  29   1.491  -4.411   6.523
  251   2HB   GLU  29          2HB       GLU  29   1.348  -6.150   6.210
  252   1HG   GLU  29          1HG       GLU  29   3.193  -6.593   7.782
  253   2HG   GLU  29          2HG       GLU  29   3.435  -4.859   8.017
  254    H    GLN  30           H        GLN  30   2.521  -7.298   3.968
  255    HA   GLN  30           HA       GLN  30   4.529  -9.110   4.993
  256   1HB   GLN  30          1HB       GLN  30   2.254  -9.551   3.701
  257   2HB   GLN  30          2HB       GLN  30   3.251  -9.435   2.265
  258   1HG   GLN  30          1HG       GLN  30   3.158 -11.750   2.818
  259   2HG   GLN  30          2HG       GLN  30   4.774 -11.223   3.274
  260   1HE2  GLN  30          1HE2      GLN  30   1.464 -11.815   4.668
  261   2HE2  GLN  30          2HE2      GLN  30   2.097 -12.286   6.237
  262    H    TYR  31           H        TYR  31   4.407  -7.034   2.089
  263    HA   TYR  31           HA       TYR  31   6.812  -8.122   0.881
  264   1HB   TYR  31          1HB       TYR  31   4.885  -7.125  -0.350
  265   2HB   TYR  31          2HB       TYR  31   5.302  -5.546   0.308
  266    HD1  TYR  31           1HD      TYR  31   6.520  -4.148  -1.139
  267    HD2  TYR  31           2HD      TYR  31   7.006  -8.407  -1.445
  268    HE1  TYR  31           1HE      TYR  31   8.109  -3.848  -3.043
  269    HE2  TYR  31           2HE      TYR  31   8.469  -8.080  -3.470
  270    HH   TYR  31           HH       TYR  31   9.523  -6.588  -4.817
  271    H    VAL  32           H        VAL  32   6.048  -5.317   2.837
  272    HA   VAL  32           HA       VAL  32   8.707  -4.272   2.667
  273    HB   VAL  32           HB       VAL  32   6.486  -3.031   2.948
  274   1HG1  VAL  32          1HG1      VAL  32   5.799  -4.287   5.008
  275   2HG1  VAL  32          2HG1      VAL  32   6.982  -3.362   5.937
  276   3HG1  VAL  32          3HG1      VAL  32   5.628  -2.532   5.133
  277   1HG2  VAL  32          1HG2      VAL  32   8.491  -1.686   3.034
  278   2HG2  VAL  32          2HG2      VAL  32   7.411  -1.144   4.314
  279   3HG2  VAL  32          3HG2      VAL  32   8.807  -2.144   4.731
  280    H    LYS  33           H        LYS  33   7.232  -6.493   4.700
  281    HA   LYS  33           HA       LYS  33   9.264  -6.651   6.855
  282   1HB   LYS  33          1HB       LYS  33   7.022  -7.338   7.371
  283   2HB   LYS  33          2HB       LYS  33   6.918  -8.303   5.902
  284   1HG   LYS  33          1HG       LYS  33   8.544  -9.934   6.853
  285   2HG   LYS  33          2HG       LYS  33   8.495  -9.031   8.388
  286   1HD   LYS  33          1HD       LYS  33   6.107  -9.460   8.612
  287   2HD   LYS  33          2HD       LYS  33   6.011 -10.050   6.944
  288   1HE   LYS  33          1HE       LYS  33   7.600 -11.916   7.586
  289   2HE   LYS  33          2HE       LYS  33   7.399 -11.426   9.273
  290   1HZ   LYS  33          1HZ       LYS  33   5.829 -13.194   8.596
  291   2HZ   LYS  33          2HZ       LYS  33   5.006 -11.849   9.027
  292   3HZ   LYS  33          3HZ       LYS  33   5.188 -12.222   7.440
  293    H    ASP  34           H        ASP  34   8.701  -7.967   3.689
  294    HA   ASP  34           HA       ASP  34  10.577 -10.189   3.793
  295   1HB   ASP  34          1HB       ASP  34   8.624  -9.079   1.943
  296   2HB   ASP  34          2HB       ASP  34  10.103  -9.317   1.080
  297    H    THR  35           H        THR  35  10.611  -7.065   2.099
  298    HA   THR  35           HA       THR  35  13.628  -7.019   2.094
  299    HB   THR  35           HB       THR  35  13.565  -6.067  -0.165
  300    HG1  THR  35           1HG      THR  35  10.856  -6.873  -0.252
  301   1HG2  THR  35          1HG2      THR  35  12.145  -8.760  -0.121
  302   2HG2  THR  35          2HG2      THR  35  13.066  -8.052  -1.465
  303   3HG2  THR  35          3HG2      THR  35  13.901  -8.509   0.031
  304    H    GLY  36           H        GLY  36  10.598  -5.321   2.436
  305   1HA   GLY  36          1HA       GLY  36  10.274  -3.223   3.357
  306   2HA   GLY  36          2HA       GLY  36  11.962  -2.809   3.159
  307    H    ASN  37           H        ASN  37  11.281  -4.085   0.204
  308    HA   ASN  37           HA       ASN  37  11.471  -1.521  -1.029
  309   1HB   ASN  37          1HB       ASN  37  10.801  -4.294  -2.096
  310   2HB   ASN  37          2HB       ASN  37  11.091  -2.915  -3.129
  311   1HD2  ASN  37          1HD2      ASN  37  12.621  -5.289  -3.246
  312   2HD2  ASN  37          2HD2      ASN  37  14.264  -4.839  -2.807
  313    H    ASP  38           H        ASP  38  10.101  -0.326  -2.291
  314    HA   ASP  38           HA       ASP  38   7.231  -0.503  -1.969
  315   1HB   ASP  38          1HB       ASP  38   8.946   1.051  -3.932
  316   2HB   ASP  38          2HB       ASP  38   7.193   1.189  -3.802
  317    HA   PRO  39           HA       PRO  39   6.532  -3.872  -4.725
  318   1HB   PRO  39          1HB       PRO  39   4.053  -2.399  -5.609
  319   2HB   PRO  39          2HB       PRO  39   4.228  -4.119  -5.138
  320   1HG   PRO  39          1HG       PRO  39   3.247  -2.367  -3.358
  321   2HG   PRO  39          2HG       PRO  39   4.517  -3.518  -2.824
  322   1HD   PRO  39          1HD       PRO  39   4.827  -0.611  -3.567
  323   2HD   PRO  39          2HD       PRO  39   5.513  -1.534  -2.195
  324    H    ILE  40           H        ILE  40   6.784  -0.762  -6.327
  325    HA   ILE  40           HA       ILE  40   6.987  -2.124  -9.009
  326    HB   ILE  40           HB       ILE  40   5.551   0.435  -8.303
  327   1HG1  ILE  40          1HG1      ILE  40   4.513  -1.863 -10.001
  328   2HG1  ILE  40          2HG1      ILE  40   4.443  -1.969  -8.244
  329   1HG2  ILE  40          1HG2      ILE  40   6.826   0.971 -10.310
  330   2HG2  ILE  40          2HG2      ILE  40   6.346  -0.565 -11.071
  331   3HG2  ILE  40          3HG2      ILE  40   5.154   0.718 -10.772
  332   1HD1  ILE  40          1HD1      ILE  40   2.340  -1.115  -9.177
  333   2HD1  ILE  40          2HD1      ILE  40   3.122   0.022  -8.054
  334   3HD1  ILE  40          3HD1      ILE  40   3.184   0.308  -9.808
  335    H    THR  41           H        THR  41   8.032   0.733  -7.068
  336    HA   THR  41           HA       THR  41  10.164   1.316  -9.013
  337    HB   THR  41           HB       THR  41  10.837   3.034  -7.250
  338    HG1  THR  41           1HG      THR  41   8.184   2.512  -6.523
  339   1HG2  THR  41          1HG2      THR  41   9.670   3.615  -9.345
  340   2HG2  THR  41          2HG2      THR  41   8.103   3.233  -8.594
  341   3HG2  THR  41          3HG2      THR  41   9.088   4.589  -7.987
  342    H    ASN  42           H        ASN  42   9.746  -0.793  -6.341
  343    HA   ASN  42           HA       ASN  42  10.932  -1.688  -4.785
  344   1HB   ASN  42          1HB       ASN  42  12.578  -3.157  -5.504
  345   2HB   ASN  42          2HB       ASN  42  11.363  -3.056  -6.753
  346   1HD2  ASN  42          1HD2      ASN  42  14.551  -1.609  -5.920
  347   2HD2  ASN  42          2HD2      ASN  42  15.129  -1.606  -7.596
  348    H    GLU  43           H        GLU  43  11.174   1.052  -4.703
  349    HA   GLU  43           HA       GLU  43  13.943   1.677  -3.858
  350   1HB   GLU  43          1HB       GLU  43  11.371   3.190  -3.304
  351   2HB   GLU  43          2HB       GLU  43  12.976   3.704  -2.808
  352   1HG   GLU  43          1HG       GLU  43  13.171   3.126  -5.600
  353   2HG   GLU  43          2HG       GLU  43  11.642   3.966  -5.384
  354    HA   PRO  44           HA       PRO  44  13.596  -0.625  -0.139
  355   1HB   PRO  44          1HB       PRO  44  15.711   0.288   1.353
  356   2HB   PRO  44          2HB       PRO  44  15.892  -0.692  -0.134
  357   1HG   PRO  44          1HG       PRO  44  16.064   2.326   0.139
  358   2HG   PRO  44          2HG       PRO  44  17.198   1.220  -0.705
  359   1HD   PRO  44          1HD       PRO  44  15.255   2.576  -2.050
  360   2HD   PRO  44          2HD       PRO  44  15.698   0.903  -2.501
  361    H    LEU  45           H        LEU  45  12.300  -0.564   1.530
  362    HA   LEU  45           HA       LEU  45  11.130  -0.039   3.347
  363   1HB   LEU  45          1HB       LEU  45  12.699   2.541   3.617
  364   2HB   LEU  45          2HB       LEU  45  11.372   2.041   4.639
  365    HG   LEU  45           HG       LEU  45  12.676  -0.112   5.138
  366   1HD1  LEU  45          1HD1      LEU  45  14.944   1.546   3.950
  367   2HD1  LEU  45          2HD1      LEU  45  15.180   0.157   5.038
  368   3HD1  LEU  45          3HD1      LEU  45  14.439  -0.093   3.469
  369   1HD2  LEU  45          1HD2      LEU  45  12.405   1.682   6.754
  370   2HD2  LEU  45          2HD2      LEU  45  14.030   1.020   6.870
  371   3HD2  LEU  45          3HD2      LEU  45  13.771   2.578   6.043
  372    H    SER  46           H        SER  46   9.186   1.051   3.815
  373    HA   SER  46           HA       SER  46   7.885   2.551   1.641
  374   1HB   SER  46          1HB       SER  46   7.893   0.003   1.155
  375   2HB   SER  46          2HB       SER  46   6.674  -0.088   2.423
  376    HG   SER  46           HG       SER  46   6.585   1.424   0.012
  377    H    ILE  47           H        ILE  47   7.257   0.571   4.478
  378    HA   ILE  47           HA       ILE  47   5.172   1.930   5.632
  379    HB   ILE  47           HB       ILE  47   6.135  -0.339   6.226
  380   1HG1  ILE  47          1HG1      ILE  47   5.697  -0.253   8.710
  381   2HG1  ILE  47          2HG1      ILE  47   5.459   1.488   8.557
  382   1HG2  ILE  47          1HG2      ILE  47   8.074   1.183   8.011
  383   2HG2  ILE  47          2HG2      ILE  47   7.907  -0.570   7.850
  384   3HG2  ILE  47          3HG2      ILE  47   8.513   0.376   6.488
  385   1HD1  ILE  47          1HD1      ILE  47   3.903  -0.689   7.076
  386   2HD1  ILE  47          2HD1      ILE  47   3.316   0.251   8.468
  387   3HD1  ILE  47          3HD1      ILE  47   3.625   1.055   6.917
  388    H    GLU  48           H        GLU  48   8.451   2.935   5.784
  389    HA   GLU  48           HA       GLU  48   8.145   4.967   7.840
  390   1HB   GLU  48          1HB       GLU  48  10.206   4.558   5.633
  391   2HB   GLU  48          2HB       GLU  48  10.308   5.839   6.839
  392   1HG   GLU  48          1HG       GLU  48  10.306   2.856   7.465
  393   2HG   GLU  48          2HG       GLU  48  11.725   3.892   7.376
  394    H    GLU  49           H        GLU  49   6.856   4.661   4.776
  395    HA   GLU  49           HA       GLU  49   6.358   7.595   4.544
  396   1HB   GLU  49          1HB       GLU  49   8.185   6.459   2.936
  397   2HB   GLU  49          2HB       GLU  49   6.760   5.882   2.087
  398   1HG   GLU  49          1HG       GLU  49   7.501   7.894   1.019
  399   2HG   GLU  49          2HG       GLU  49   6.014   8.303   1.854
  400    H    ILE  50           H        ILE  50   4.918   4.891   5.269
  401    HA   ILE  50           HA       ILE  50   2.853   4.520   3.415
  402    HB   ILE  50           HB       ILE  50   3.471   2.944   5.189
  403   1HG1  ILE  50          1HG1      ILE  50   0.479   3.495   5.198
  404   2HG1  ILE  50          2HG1      ILE  50   1.353   2.858   3.802
  405   1HG2  ILE  50          1HG2      ILE  50   3.387   4.659   7.117
  406   2HG2  ILE  50          2HG2      ILE  50   1.630   4.507   7.064
  407   3HG2  ILE  50          3HG2      ILE  50   2.633   3.100   7.455
  408   1HD1  ILE  50          1HD1      ILE  50   1.248   1.500   6.527
  409   2HD1  ILE  50          2HD1      ILE  50   0.297   1.055   5.114
  410   3HD1  ILE  50          3HD1      ILE  50   2.060   0.892   5.057
  411    H    VAL  51           H        VAL  51   1.050   5.265   3.007
  412    HA   VAL  51           HA       VAL  51  -0.396   7.301   4.687
  413    HB   VAL  51           HB       VAL  51  -0.460   7.135   1.650
  414   1HG1  VAL  51          1HG1      VAL  51  -1.740   9.253   1.837
  415   2HG1  VAL  51          2HG1      VAL  51  -2.596   7.931   2.640
  416   3HG1  VAL  51          3HG1      VAL  51  -1.705   9.124   3.607
  417   1HG2  VAL  51          1HG2      VAL  51   1.679   8.083   2.380
  418   2HG2  VAL  51          2HG2      VAL  51   0.648   9.344   1.703
  419   3HG2  VAL  51          3HG2      VAL  51   0.836   9.206   3.468
  420    H    GLU  52           H        GLU  52  -1.725   5.925   5.802
  421    HA   GLU  52           HA       GLU  52  -3.209   3.784   4.430
  422   1HB   GLU  52          1HB       GLU  52  -3.827   4.823   7.200
  423   2HB   GLU  52          2HB       GLU  52  -4.166   3.234   6.487
  424   1HG   GLU  52          1HG       GLU  52  -1.818   2.617   6.597
  425   2HG   GLU  52          2HG       GLU  52  -1.363   4.233   7.141
  426    H    ILE  53           H        ILE  53  -5.114   4.010   3.392
  427    HA   ILE  53           HA       ILE  53  -6.234   6.706   3.107
  428    HB   ILE  53           HB       ILE  53  -7.046   4.123   1.751
  429   1HG1  ILE  53          1HG1      ILE  53  -4.718   4.500   1.195
  430   2HG1  ILE  53          2HG1      ILE  53  -5.739   4.814  -0.187
  431   1HG2  ILE  53          1HG2      ILE  53  -7.643   7.032   1.077
  432   2HG2  ILE  53          2HG2      ILE  53  -7.977   5.658   0.007
  433   3HG2  ILE  53          3HG2      ILE  53  -8.802   5.780   1.558
  434   1HD1  ILE  53          1HD1      ILE  53  -3.945   6.466  -0.030
  435   2HD1  ILE  53          2HD1      ILE  53  -5.500   7.270   0.182
  436   3HD1  ILE  53          3HD1      ILE  53  -4.469   6.939   1.593
  437    H    VAL  54           H        VAL  54  -7.177   7.116   5.062
  438    HA   VAL  54           HA       VAL  54  -9.123   5.541   6.430
  439    HB   VAL  54           HB       VAL  54  -8.740   8.555   6.430
  440   1HG1  VAL  54          1HG1      VAL  54  -9.898   8.459   8.642
  441   2HG1  VAL  54          2HG1      VAL  54 -10.972   8.038   7.310
  442   3HG1  VAL  54          3HG1      VAL  54 -10.300   6.752   8.344
  443   1HG2  VAL  54          1HG2      VAL  54  -7.755   6.377   8.334
  444   2HG2  VAL  54          2HG2      VAL  54  -6.748   7.323   7.213
  445   3HG2  VAL  54          3HG2      VAL  54  -7.553   8.127   8.562
  446    HA   PRO  55           HA       PRO  55 -12.235   6.080   3.212
  447   1HB   PRO  55          1HB       PRO  55 -14.181   4.398   4.101
  448   2HB   PRO  55          2HB       PRO  55 -12.603   3.812   3.488
  449   1HG   PRO  55          1HG       PRO  55 -13.413   4.276   6.381
  450   2HG   PRO  55          2HG       PRO  55 -12.672   2.808   5.665
  451   1HD   PRO  55          1HD       PRO  55 -11.178   4.710   6.917
  452   2HD   PRO  55          2HD       PRO  55 -10.568   3.850   5.470
  453    H    SER  56           H        SER  56 -12.747   6.969   6.514
  454    HA   SER  56           HA       SER  56 -14.279   8.228   7.665
  455   1HB   SER  56          1HB       SER  56 -13.010   9.923   6.405
  456   2HB   SER  56          2HB       SER  56 -14.207   9.857   5.099
  457    HG   SER  56           HG       SER  56 -14.602  11.558   6.629
  Start of MODEL    4
    1    H    MET   1           H        MET   1  -9.036   1.644  -7.549
    2    HA   MET   1           HA       MET   1  -7.329   0.386  -9.548
    3   1HB   MET   1          1HB       MET   1  -6.128   2.486  -9.106
    4   2HB   MET   1          2HB       MET   1  -6.109   2.144  -7.374
    5   1HG   MET   1          1HG       MET   1  -4.704   0.181  -7.731
    6   2HG   MET   1          2HG       MET   1  -4.792   0.383  -9.481
    7   1HE   MET   1          1HE       MET   1  -2.480   3.419 -10.183
    8   2HE   MET   1          2HE       MET   1  -3.406   2.067 -10.868
    9   3HE   MET   1          3HE       MET   1  -4.253   3.425 -10.090
   10    H    LEU   2           H        LEU   2  -6.439  -1.538  -8.845
   11    HA   LEU   2           HA       LEU   2  -6.931  -2.441  -6.040
   12   1HB   LEU   2          1HB       LEU   2  -6.987  -4.154  -8.563
   13   2HB   LEU   2          2HB       LEU   2  -7.162  -4.754  -6.917
   14    HG   LEU   2           HG       LEU   2  -9.134  -2.895  -8.319
   15   1HD1  LEU   2          1HD1      LEU   2  -9.328  -5.850  -7.612
   16   2HD1  LEU   2          2HD1      LEU   2 -10.605  -4.858  -8.356
   17   3HD1  LEU   2          3HD1      LEU   2  -9.110  -5.185  -9.245
   18   1HD2  LEU   2          1HD2      LEU   2 -10.632  -3.420  -6.418
   19   2HD2  LEU   2          2HD2      LEU   2  -9.318  -4.319  -5.627
   20   3HD2  LEU   2          3HD2      LEU   2  -9.194  -2.561  -5.868
   21    H    CYS   3           H        CYS   3  -5.510  -4.163  -5.243
   22    HA   CYS   3           HA       CYS   3  -3.230  -2.920  -4.893
   23   1HB   CYS   3          1HB       CYS   3  -3.350  -5.903  -4.448
   24   2HB   CYS   3          2HB       CYS   3  -2.657  -4.668  -3.463
   25    HG   CYS   3           HG       CYS   3  -4.891  -6.195  -2.825
   26    H    ALA   4           H        ALA   4  -1.340  -2.605  -5.596
   27    HA   ALA   4           HA       ALA   4  -0.557  -3.698  -8.198
   28   1HB   ALA   4          1HB       ALA   4   0.045  -1.390  -7.395
   29   2HB   ALA   4          2HB       ALA   4   1.290  -2.148  -6.368
   30   3HB   ALA   4          3HB       ALA   4   1.358  -2.343  -8.114
   31    H    ILE   5           H        ILE   5  -0.241  -4.876  -5.079
   32    HA   ILE   5           HA       ILE   5   2.069  -6.651  -5.549
   33    HB   ILE   5           HB       ILE   5   0.316  -6.127  -3.121
   34   1HG1  ILE   5          1HG1      ILE   5   3.260  -5.485  -3.546
   35   2HG1  ILE   5          2HG1      ILE   5   1.972  -4.331  -3.889
   36   1HG2  ILE   5          1HG2      ILE   5   1.114  -8.478  -3.058
   37   2HG2  ILE   5          2HG2      ILE   5   2.750  -7.971  -3.519
   38   3HG2  ILE   5          3HG2      ILE   5   2.099  -7.546  -1.935
   39   1HD1  ILE   5          1HD1      ILE   5   1.167  -4.533  -1.529
   40   2HD1  ILE   5          2HD1      ILE   5   2.611  -5.526  -1.187
   41   3HD1  ILE   5          3HD1      ILE   5   2.782  -3.848  -1.691
   42    H    SER   6           H        SER   6  -1.387  -7.163  -4.582
   43    HA   SER   6           HA       SER   6  -1.302  -9.773  -6.044
   44   1HB   SER   6          1HB       SER   6  -2.774  -9.371  -3.452
   45   2HB   SER   6          2HB       SER   6  -2.631 -10.858  -4.383
   46    HG   SER   6           HG       SER   6  -0.386 -10.849  -4.005
   47    H    GLY   7           H        GLY   7  -3.098  -6.841  -5.930
   48   1HA   GLY   7          1HA       GLY   7  -4.762  -6.225  -7.369
   49   2HA   GLY   7          2HA       GLY   7  -4.655  -7.850  -8.047
   50    H    LYS   8           H        LYS   8  -5.176  -7.752  -4.819
   51    HA   LYS   8           HA       LYS   8  -7.790  -9.059  -4.783
   52   1HB   LYS   8          1HB       LYS   8  -5.911  -9.697  -3.396
   53   2HB   LYS   8          2HB       LYS   8  -5.726  -8.065  -2.763
   54   1HG   LYS   8          1HG       LYS   8  -7.805  -8.315  -1.463
   55   2HG   LYS   8          2HG       LYS   8  -8.144  -9.876  -2.253
   56   1HD   LYS   8          1HD       LYS   8  -6.045 -10.794  -1.287
   57   2HD   LYS   8          2HD       LYS   8  -5.744  -9.236  -0.485
   58   1HE   LYS   8          1HE       LYS   8  -7.851  -9.456   0.788
   59   2HE   LYS   8          2HE       LYS   8  -8.215 -10.974  -0.044
   60   1HZ   LYS   8          1HZ       LYS   8  -7.218 -11.386   2.129
   61   2HZ   LYS   8          2HZ       LYS   8  -6.214 -11.934   0.965
   62   3HZ   LYS   8          3HZ       LYS   8  -5.877 -10.535   1.746
   63    H    VAL   9           H        VAL   9  -9.571  -8.276  -3.388
   64    HA   VAL   9           HA       VAL   9 -10.163  -5.410  -3.680
   65    HB   VAL   9           HB       VAL   9 -11.949  -6.925  -4.029
   66   1HG1  VAL   9          1HG1      VAL   9 -13.038  -8.270  -2.372
   67   2HG1  VAL   9          2HG1      VAL   9 -11.359  -8.805  -2.505
   68   3HG1  VAL   9          3HG1      VAL   9 -11.876  -7.808  -1.124
   69   1HG2  VAL   9          1HG2      VAL   9 -12.415  -5.349  -1.465
   70   2HG2  VAL   9          2HG2      VAL   9 -12.419  -4.682  -3.113
   71   3HG2  VAL   9          3HG2      VAL   9 -13.642  -5.869  -2.638
   72    HA   PRO  10           HA       PRO  10  -7.708  -4.986   0.015
   73   1HB   PRO  10          1HB       PRO  10  -7.512  -2.283   0.253
   74   2HB   PRO  10          2HB       PRO  10  -6.693  -3.199  -1.036
   75   1HG   PRO  10          1HG       PRO  10  -9.343  -1.734  -1.216
   76   2HG   PRO  10          2HG       PRO  10  -7.947  -1.644  -2.337
   77   1HD   PRO  10          1HD       PRO  10 -10.077  -3.275  -2.829
   78   2HD   PRO  10          2HD       PRO  10  -8.406  -3.761  -3.243
   79    H    ARG  11           H        ARG  11  -8.194  -5.205   2.035
   80    HA   ARG  11           HA       ARG  11 -10.796  -4.338   3.206
   81   1HB   ARG  11          1HB       ARG  11 -10.078  -5.630   5.206
   82   2HB   ARG  11          2HB       ARG  11 -10.234  -6.601   3.742
   83   1HG   ARG  11          1HG       ARG  11  -7.816  -6.629   3.435
   84   2HG   ARG  11          2HG       ARG  11  -7.587  -5.565   4.844
   85   1HD   ARG  11          1HD       ARG  11  -8.434  -7.293   6.328
   86   2HD   ARG  11          2HD       ARG  11  -8.836  -8.330   4.936
   87    HE   ARG  11           HE       ARG  11  -6.045  -7.564   4.911
   88   1HH1  ARG  11          2HH2      ARG  11  -8.166  -9.815   6.564
   89   2HH1  ARG  11          1HH2      ARG  11  -6.891 -10.990   6.772
   90   1HH2  ARG  11          2HH1      ARG  11  -4.522  -9.127   5.118
   91   2HH2  ARG  11          1HH1      ARG  11  -4.875 -10.602   5.994
   92    H    ARG  12           H        ARG  12  -7.314  -3.673   3.456
   93    HA   ARG  12           HA       ARG  12  -8.023  -1.018   4.702
   94   1HB   ARG  12          1HB       ARG  12  -5.704  -2.851   5.382
   95   2HB   ARG  12          2HB       ARG  12  -5.813  -1.150   5.872
   96   1HG   ARG  12          1HG       ARG  12  -7.912  -1.658   7.109
   97   2HG   ARG  12          2HG       ARG  12  -7.770  -3.365   6.643
   98   1HD   ARG  12          1HD       ARG  12  -5.572  -3.486   7.783
   99   2HD   ARG  12          2HD       ARG  12  -5.745  -1.811   8.307
  100    HE   ARG  12           HE       ARG  12  -7.125  -4.186   9.367
  101   1HH1  ARG  12          2HH2      ARG  12  -7.206  -0.675   9.383
  102   2HH1  ARG  12          1HH2      ARG  12  -8.160  -0.638  10.842
  103   1HH2  ARG  12          2HH1      ARG  12  -8.325  -4.049  11.197
  104   2HH2  ARG  12          1HH1      ARG  12  -8.759  -2.489  11.840
  105    HA   PRO  13           HA       PRO  13  -6.002  -0.413   0.593
  106   1HB   PRO  13          1HB       PRO  13  -7.236   2.079   0.137
  107   2HB   PRO  13          2HB       PRO  13  -7.769   0.488  -0.470
  108   1HG   PRO  13          1HG       PRO  13  -8.697   1.949   2.011
  109   2HG   PRO  13          2HG       PRO  13  -9.684   1.075   0.797
  110   1HD   PRO  13          1HD       PRO  13  -9.112  -0.163   3.086
  111   2HD   PRO  13          2HD       PRO  13  -8.830  -1.033   1.528
  112    H    VAL  14           H        VAL  14  -4.229   0.442   0.342
  113    HA   VAL  14           HA       VAL  14  -3.094   2.625   2.070
  114    HB   VAL  14           HB       VAL  14  -2.494  -0.312   2.045
  115   1HG1  VAL  14          1HG1      VAL  14  -0.232  -0.131   2.770
  116   2HG1  VAL  14          2HG1      VAL  14  -0.356   0.519   1.146
  117   3HG1  VAL  14          3HG1      VAL  14  -0.229   1.642   2.496
  118   1HG2  VAL  14          1HG2      VAL  14  -1.914   0.186   4.399
  119   2HG2  VAL  14          2HG2      VAL  14  -2.091   1.902   4.086
  120   3HG2  VAL  14          3HG2      VAL  14  -3.512   0.834   3.995
  121    H    LEU  15           H        LEU  15  -1.379   3.718   1.224
  122    HA   LEU  15           HA       LEU  15  -0.474   3.071  -1.560
  123   1HB   LEU  15          1HB       LEU  15  -2.218   4.710  -1.688
  124   2HB   LEU  15          2HB       LEU  15  -1.586   5.673  -0.380
  125    HG   LEU  15           HG       LEU  15   0.117   5.366  -2.857
  126   1HD1  LEU  15          1HD1      LEU  15  -2.309   7.192  -2.589
  127   2HD1  LEU  15          2HD1      LEU  15  -1.062   7.340  -3.845
  128   3HD1  LEU  15          3HD1      LEU  15  -2.071   5.891  -3.780
  129   1HD2  LEU  15          1HD2      LEU  15   0.808   7.637  -2.330
  130   2HD2  LEU  15          2HD2      LEU  15  -0.457   7.793  -1.097
  131   3HD2  LEU  15          3HD2      LEU  15   0.908   6.710  -0.830
  132    H    SER  16           H        SER  16   1.637   3.866  -2.022
  133    HA   SER  16           HA       SER  16   3.235   5.074   0.196
  134   1HB   SER  16          1HB       SER  16   4.121   2.856  -1.646
  135   2HB   SER  16          2HB       SER  16   5.233   3.886  -0.727
  136    HG   SER  16           HG       SER  16   4.769   2.050   0.454
  137    HA   PRO  17           HA       PRO  17   3.181   8.227  -2.986
  138   1HB   PRO  17          1HB       PRO  17   5.504   9.315  -1.389
  139   2HB   PRO  17          2HB       PRO  17   4.092  10.190  -2.061
  140   1HG   PRO  17          1HG       PRO  17   4.128   9.522   0.552
  141   2HG   PRO  17          2HG       PRO  17   2.637   9.245  -0.412
  142   1HD   PRO  17          1HD       PRO  17   4.772   7.243   0.360
  143   2HD   PRO  17          2HD       PRO  17   2.989   7.096   0.429
  144    H    LYS  18           H        LYS  18   5.744   6.072  -2.705
  145    HA   LYS  18           HA       LYS  18   7.644   7.283  -4.619
  146   1HB   LYS  18          1HB       LYS  18   7.450   4.603  -3.163
  147   2HB   LYS  18          2HB       LYS  18   8.603   4.914  -4.442
  148   1HG   LYS  18          1HG       LYS  18   9.874   5.441  -2.563
  149   2HG   LYS  18          2HG       LYS  18   9.328   7.009  -3.095
  150   1HD   LYS  18          1HD       LYS  18   9.161   6.952  -0.709
  151   2HD   LYS  18          2HD       LYS  18   7.520   6.943  -1.315
  152   1HE   LYS  18          1HE       LYS  18   7.618   5.374   0.486
  153   2HE   LYS  18          2HE       LYS  18   7.519   4.408  -0.992
  154   1HZ   LYS  18          1HZ       LYS  18  10.028   5.041   0.466
  155   2HZ   LYS  18          2HZ       LYS  18   9.273   3.580   0.483
  156   3HZ   LYS  18          3HZ       LYS  18   9.872   4.071  -0.905
  157    H    SER  19           H        SER  19   5.178   4.757  -4.564
  158    HA   SER  19           HA       SER  19   5.210   4.478  -7.518
  159   1HB   SER  19          1HB       SER  19   3.877   2.535  -7.140
  160   2HB   SER  19          2HB       SER  19   5.250   2.502  -6.000
  161    HG   SER  19           HG       SER  19   2.762   2.220  -5.390
  162    H    ARG  20           H        ARG  20   3.190   5.659  -4.907
  163    HA   ARG  20           HA       ARG  20   1.156   6.660  -4.710
  164   1HB   ARG  20          1HB       ARG  20   1.896   7.698  -7.453
  165   2HB   ARG  20          2HB       ARG  20   0.351   8.108  -6.710
  166   1HG   ARG  20          1HG       ARG  20   1.406   9.095  -4.785
  167   2HG   ARG  20          2HG       ARG  20   3.013   8.597  -5.343
  168   1HD   ARG  20          1HD       ARG  20   2.987  10.119  -7.175
  169   2HD   ARG  20          2HD       ARG  20   1.245  10.346  -7.063
  170    HE   ARG  20           HE       ARG  20   1.505  11.960  -5.457
  171   1HH1  ARG  20          2HH1      ARG  20   4.641  10.351  -5.494
  172   2HH1  ARG  20          1HH1      ARG  20   5.419  11.748  -4.821
  173   1HH2  ARG  20          2HH2      ARG  20   2.556  13.593  -4.464
  174   2HH2  ARG  20          1HH2      ARG  20   4.273  13.481  -4.186
  175    H    THR  21           H        THR  21   1.391   3.851  -6.063
  176    HA   THR  21           HA       THR  21  -1.273   3.481  -7.198
  177    HB   THR  21           HB       THR  21  -0.582   1.088  -7.061
  178    HG1  THR  21           1HG      THR  21   0.807   1.088  -5.333
  179   1HG2  THR  21          1HG2      THR  21   1.634   2.771  -8.279
  180   2HG2  THR  21          2HG2      THR  21   1.069   1.163  -8.786
  181   3HG2  THR  21          3HG2      THR  21   0.027   2.572  -9.028
  182    H    ILE  22           H        ILE  22  -2.699   1.673  -6.125
  183    HA   ILE  22           HA       ILE  22  -2.747   1.988  -3.148
  184    HB   ILE  22           HB       ILE  22  -4.913   1.054  -5.027
  185   1HG1  ILE  22          1HG1      ILE  22  -4.624   3.412  -5.496
  186   2HG1  ILE  22          2HG1      ILE  22  -6.135   3.124  -4.661
  187   1HG2  ILE  22          1HG2      ILE  22  -6.416   1.397  -3.037
  188   2HG2  ILE  22          2HG2      ILE  22  -5.244   0.095  -2.843
  189   3HG2  ILE  22          3HG2      ILE  22  -4.958   1.657  -2.046
  190   1HD1  ILE  22          1HD1      ILE  22  -5.001   5.159  -3.848
  191   2HD1  ILE  22          2HD1      ILE  22  -5.167   3.971  -2.549
  192   3HD1  ILE  22          3HD1      ILE  22  -3.598   4.191  -3.365
  193    H    PHE  23           H        PHE  23  -2.615   0.190  -1.975
  194    HA   PHE  23           HA       PHE  23  -3.092  -2.429  -3.070
  195   1HB   PHE  23          1HB       PHE  23  -0.894  -3.113  -1.546
  196   2HB   PHE  23          2HB       PHE  23  -0.967  -3.083  -3.297
  197    HD1  PHE  23           1HD      PHE  23   0.850  -2.078  -4.297
  198    HD2  PHE  23           2HD      PHE  23  -0.373  -0.773  -0.485
  199    HE1  PHE  23           1HE      PHE  23   2.564  -0.298  -4.454
  200    HE2  PHE  23           2HE      PHE  23   1.358   1.112  -0.554
  201    HZ   PHE  23           HZ       PHE  23   2.805   1.332  -2.566
  202    H    GLU  24           H        GLU  24  -3.019  -4.081  -1.436
  203    HA   GLU  24           HA       GLU  24  -4.736  -3.206   0.778
  204   1HB   GLU  24          1HB       GLU  24  -5.566  -5.122  -0.078
  205   2HB   GLU  24          2HB       GLU  24  -4.039  -5.803  -0.473
  206   1HG   GLU  24          1HG       GLU  24  -5.165  -7.070   1.295
  207   2HG   GLU  24          2HG       GLU  24  -3.629  -6.416   1.866
  208    H    LYS  25           H        LYS  25  -3.945  -2.731   2.871
  209    HA   LYS  25           HA       LYS  25  -1.360  -2.127   3.504
  210   1HB   LYS  25          1HB       LYS  25  -3.362  -1.528   4.854
  211   2HB   LYS  25          2HB       LYS  25  -3.500  -3.205   5.388
  212   1HG   LYS  25          1HG       LYS  25  -1.343  -3.088   6.536
  213   2HG   LYS  25          2HG       LYS  25  -1.042  -1.467   5.884
  214   1HD   LYS  25          1HD       LYS  25  -3.011  -0.610   7.105
  215   2HD   LYS  25          2HD       LYS  25  -3.314  -2.215   7.783
  216   1HE   LYS  25          1HE       LYS  25  -0.701  -0.684   8.176
  217   2HE   LYS  25          2HE       LYS  25  -2.086  -0.505   9.248
  218   1HZ   LYS  25          1HZ       LYS  25  -0.608  -2.129  10.167
  219   2HZ   LYS  25          2HZ       LYS  25  -1.953  -2.919   9.701
  220   3HZ   LYS  25          3HZ       LYS  25  -0.568  -3.041   8.830
  221    H    SER  26           H        SER  26  -3.089  -5.185   4.104
  222    HA   SER  26           HA       SER  26  -0.858  -6.237   5.479
  223   1HB   SER  26          1HB       SER  26  -1.964  -8.451   5.454
  224   2HB   SER  26          2HB       SER  26  -2.965  -7.122   6.049
  225    HG   SER  26           HG       SER  26  -4.013  -7.027   4.070
  226    H    LEU  27           H        LEU  27  -1.407  -6.214   2.022
  227    HA   LEU  27           HA       LEU  27   0.576  -8.332   1.488
  228   1HB   LEU  27          1HB       LEU  27  -0.007  -6.330  -0.620
  229   2HB   LEU  27          2HB       LEU  27   0.222  -8.069  -0.730
  230    HG   LEU  27           HG       LEU  27  -2.253  -6.647   0.179
  231   1HD1  LEU  27          1HD1      LEU  27  -1.488  -7.875  -2.452
  232   2HD1  LEU  27          2HD1      LEU  27  -3.162  -7.389  -2.052
  233   3HD1  LEU  27          3HD1      LEU  27  -1.857  -6.178  -2.108
  234   1HD2  LEU  27          1HD2      LEU  27  -2.154  -8.915   1.130
  235   2HD2  LEU  27          2HD2      LEU  27  -3.453  -8.743  -0.049
  236   3HD2  LEU  27          3HD2      LEU  27  -1.944  -9.579  -0.511
  237    H    LEU  28           H        LEU  28   0.467  -4.770   1.619
  238    HA   LEU  28           HA       LEU  28   3.195  -4.383   0.708
  239   1HB   LEU  28          1HB       LEU  28   1.506  -2.542   0.701
  240   2HB   LEU  28          2HB       LEU  28   1.585  -2.516   2.464
  241    HG   LEU  28           HG       LEU  28   4.145  -2.105   2.201
  242   1HD1  LEU  28          1HD1      LEU  28   4.820  -1.045   0.063
  243   2HD1  LEU  28          2HD1      LEU  28   4.432  -2.752  -0.142
  244   3HD1  LEU  28          3HD1      LEU  28   3.264  -1.512  -0.653
  245   1HD2  LEU  28          1HD2      LEU  28   2.207  -0.008   1.206
  246   2HD2  LEU  28          2HD2      LEU  28   2.580  -0.380   2.898
  247   3HD2  LEU  28          3HD2      LEU  28   3.838   0.286   1.845
  248    H    GLU  29           H        GLU  29   1.668  -4.595   3.920
  249    HA   GLU  29           HA       GLU  29   3.895  -4.346   5.606
  250   1HB   GLU  29          1HB       GLU  29   1.483  -4.384   6.217
  251   2HB   GLU  29          2HB       GLU  29   1.488  -6.146   6.035
  252   1HG   GLU  29          1HG       GLU  29   3.173  -6.323   7.831
  253   2HG   GLU  29          2HG       GLU  29   3.249  -4.560   7.954
  254    H    GLN  30           H        GLN  30   2.681  -7.286   3.969
  255    HA   GLN  30           HA       GLN  30   4.652  -9.112   4.988
  256   1HB   GLN  30          1HB       GLN  30   2.496  -9.627   3.720
  257   2HB   GLN  30          2HB       GLN  30   3.348  -9.229   2.238
  258   1HG   GLN  30          1HG       GLN  30   5.022 -11.003   2.696
  259   2HG   GLN  30          2HG       GLN  30   4.223 -11.367   4.228
  260   1HE2  GLN  30          1HE2      GLN  30   3.619 -11.303   0.645
  261   2HE2  GLN  30          2HE2      GLN  30   2.437 -12.604   0.722
  262    H    TYR  31           H        TYR  31   4.621  -7.094   2.042
  263    HA   TYR  31           HA       TYR  31   7.109  -8.131   0.984
  264   1HB   TYR  31          1HB       TYR  31   5.219  -7.122  -0.325
  265   2HB   TYR  31          2HB       TYR  31   5.620  -5.552   0.346
  266    HD1  TYR  31           1HD      TYR  31   6.857  -4.158  -1.070
  267    HD2  TYR  31           2HD      TYR  31   7.394  -8.411  -1.347
  268    HE1  TYR  31           1HE      TYR  31   8.476  -3.847  -2.950
  269    HE2  TYR  31           2HE      TYR  31   8.897  -8.079  -3.342
  270    HH   TYR  31           HH       TYR  31   9.956  -6.579  -4.680
  271    H    VAL  32           H        VAL  32   6.248  -5.348   2.921
  272    HA   VAL  32           HA       VAL  32   8.877  -4.237   2.808
  273    HB   VAL  32           HB       VAL  32   6.609  -3.055   2.927
  274   1HG1  VAL  32          1HG1      VAL  32   5.978  -4.264   5.091
  275   2HG1  VAL  32          2HG1      VAL  32   7.006  -3.115   5.945
  276   3HG1  VAL  32          3HG1      VAL  32   5.605  -2.547   5.004
  277   1HG2  VAL  32          1HG2      VAL  32   8.546  -1.667   2.966
  278   2HG2  VAL  32          2HG2      VAL  32   7.435  -1.080   4.196
  279   3HG2  VAL  32          3HG2      VAL  32   8.857  -2.000   4.693
  280    H    LYS  33           H        LYS  33   7.435  -6.477   4.894
  281    HA   LYS  33           HA       LYS  33   9.697  -6.294   6.865
  282   1HB   LYS  33          1HB       LYS  33   8.586  -7.640   8.341
  283   2HB   LYS  33          2HB       LYS  33   7.319  -6.620   7.674
  284   1HG   LYS  33          1HG       LYS  33   6.726  -8.539   6.118
  285   2HG   LYS  33          2HG       LYS  33   7.879  -9.544   6.988
  286   1HD   LYS  33          1HD       LYS  33   5.430  -8.153   8.157
  287   2HD   LYS  33          2HD       LYS  33   5.516  -9.856   7.732
  288   1HE   LYS  33          1HE       LYS  33   7.219  -8.494   9.875
  289   2HE   LYS  33          2HE       LYS  33   5.743  -9.410  10.178
  290   1HZ   LYS  33          1HZ       LYS  33   6.845 -11.381   9.252
  291   2HZ   LYS  33          2HZ       LYS  33   8.225 -10.544   8.998
  292   3HZ   LYS  33          3HZ       LYS  33   7.690 -10.794  10.518
  293    H    ASP  34           H        ASP  34   8.901  -7.867   4.007
  294    HA   ASP  34           HA       ASP  34  10.746 -10.136   4.196
  295   1HB   ASP  34          1HB       ASP  34   8.846  -9.044   2.257
  296   2HB   ASP  34          2HB       ASP  34  10.355  -9.337   1.465
  297    H    THR  35           H        THR  35  10.788  -7.047   2.405
  298    HA   THR  35           HA       THR  35  13.806  -6.976   2.493
  299    HB   THR  35           HB       THR  35  13.806  -6.099   0.205
  300    HG1  THR  35           1HG      THR  35  11.088  -6.880   0.081
  301   1HG2  THR  35          1HG2      THR  35  12.360  -8.777   0.290
  302   2HG2  THR  35          2HG2      THR  35  13.312  -8.118  -1.052
  303   3HG2  THR  35          3HG2      THR  35  14.110  -8.539   0.477
  304    H    GLY  36           H        GLY  36  10.780  -5.281   2.665
  305   1HA   GLY  36          1HA       GLY  36  10.425  -3.136   3.539
  306   2HA   GLY  36          2HA       GLY  36  12.118  -2.732   3.347
  307    H    ASN  37           H        ASN  37  11.518  -4.095   0.428
  308    HA   ASN  37           HA       ASN  37  11.758  -1.581  -0.847
  309   1HB   ASN  37          1HB       ASN  37  11.075  -4.367  -1.868
  310   2HB   ASN  37          2HB       ASN  37  11.402  -3.022  -2.933
  311   1HD2  ASN  37          1HD2      ASN  37  12.930  -5.349  -3.049
  312   2HD2  ASN  37          2HD2      ASN  37  14.556  -4.927  -2.525
  313    H    ASP  38           H        ASP  38  10.491  -0.400  -2.211
  314    HA   ASP  38           HA       ASP  38   7.606  -0.398  -2.018
  315   1HB   ASP  38          1HB       ASP  38   9.529   0.968  -3.935
  316   2HB   ASP  38          2HB       ASP  38   7.784   1.218  -3.947
  317    HA   PRO  39           HA       PRO  39   6.990  -3.908  -4.733
  318   1HB   PRO  39          1HB       PRO  39   4.432  -2.480  -5.501
  319   2HB   PRO  39          2HB       PRO  39   4.677  -4.202  -5.067
  320   1HG   PRO  39          1HG       PRO  39   3.703  -2.470  -3.246
  321   2HG   PRO  39          2HG       PRO  39   4.974  -3.641  -2.761
  322   1HD   PRO  39          1HD       PRO  39   5.259  -0.709  -3.408
  323   2HD   PRO  39          2HD       PRO  39   6.020  -1.684  -2.114
  324    H    ILE  40           H        ILE  40   7.438  -0.880  -6.197
  325    HA   ILE  40           HA       ILE  40   7.185  -1.970  -8.999
  326    HB   ILE  40           HB       ILE  40   6.096   0.617  -7.866
  327   1HG1  ILE  40          1HG1      ILE  40   4.657  -1.300  -9.729
  328   2HG1  ILE  40          2HG1      ILE  40   4.783  -1.710  -8.025
  329   1HG2  ILE  40          1HG2      ILE  40   5.485   1.259 -10.215
  330   2HG2  ILE  40          2HG2      ILE  40   7.220   1.291  -9.931
  331   3HG2  ILE  40          3HG2      ILE  40   6.495  -0.072 -10.813
  332   1HD1  ILE  40          1HD1      ILE  40   3.663   0.285  -7.328
  333   2HD1  ILE  40          2HD1      ILE  40   3.600   0.907  -8.999
  334   3HD1  ILE  40          3HD1      ILE  40   2.687  -0.541  -8.553
  335    H    THR  41           H        THR  41   8.736   0.543  -6.936
  336    HA   THR  41           HA       THR  41  10.839   0.916  -9.006
  337    HB   THR  41           HB       THR  41  11.560   2.821  -7.484
  338    HG1  THR  41           1HG      THR  41   8.880   2.493  -6.716
  339   1HG2  THR  41          1HG2      THR  41   8.844   2.954  -8.882
  340   2HG2  THR  41          2HG2      THR  41   9.863   4.334  -8.422
  341   3HG2  THR  41          3HG2      THR  41  10.432   3.184  -9.643
  342    H    ASN  42           H        ASN  42  10.286  -0.962  -6.253
  343    HA   ASN  42           HA       ASN  42  11.372  -1.837  -4.619
  344   1HB   ASN  42          1HB       ASN  42  12.968  -3.409  -5.275
  345   2HB   ASN  42          2HB       ASN  42  11.782  -3.261  -6.545
  346   1HD2  ASN  42          2HD2      ASN  42  15.020  -1.959  -5.668
  347   2HD2  ASN  42          1HD2      ASN  42  15.633  -2.004  -7.327
  348    H    GLU  43           H        GLU  43  11.828   0.921  -4.586
  349    HA   GLU  43           HA       GLU  43  14.575   1.308  -3.589
  350   1HB   GLU  43          1HB       GLU  43  12.184   3.120  -3.086
  351   2HB   GLU  43          2HB       GLU  43  13.894   3.477  -2.840
  352   1HG   GLU  43          1HG       GLU  43  14.049   2.837  -5.427
  353   2HG   GLU  43          2HG       GLU  43  12.337   3.225  -5.404
  354    HA   PRO  44           HA       PRO  44  13.811  -0.703   0.216
  355   1HB   PRO  44          1HB       PRO  44  15.794   0.245   1.862
  356   2HB   PRO  44          2HB       PRO  44  16.085  -0.837   0.465
  357   1HG   PRO  44          1HG       PRO  44  16.333   2.185   0.558
  358   2HG   PRO  44          2HG       PRO  44  17.508   1.000  -0.088
  359   1HD   PRO  44          1HD       PRO  44  15.763   2.309  -1.714
  360   2HD   PRO  44          2HD       PRO  44  16.180   0.591  -2.005
  361    H    LEU  45           H        LEU  45  12.406  -0.524   1.743
  362    HA   LEU  45           HA       LEU  45  11.160   0.071   3.501
  363   1HB   LEU  45          1HB       LEU  45  12.697   2.683   3.647
  364   2HB   LEU  45          2HB       LEU  45  11.278   2.315   4.596
  365    HG   LEU  45           HG       LEU  45  12.411   0.286   5.528
  366   1HD1  LEU  45          1HD1      LEU  45  14.869   1.457   4.154
  367   2HD1  LEU  45          2HD1      LEU  45  14.927   0.277   5.483
  368   3HD1  LEU  45          3HD1      LEU  45  14.199  -0.181   3.951
  369   1HD2  LEU  45          1HD2      LEU  45  12.294   2.452   6.714
  370   2HD2  LEU  45          2HD2      LEU  45  13.785   1.582   7.098
  371   3HD2  LEU  45          3HD2      LEU  45  13.824   2.951   5.962
  372    H    SER  46           H        SER  46   9.162   1.051   3.806
  373    HA   SER  46           HA       SER  46   7.961   2.551   1.585
  374   1HB   SER  46          1HB       SER  46   7.997  -0.010   1.092
  375   2HB   SER  46          2HB       SER  46   6.644  -0.061   2.222
  376    HG   SER  46           HG       SER  46   6.905   1.464  -0.170
  377    H    ILE  47           H        ILE  47   6.931   0.488   4.299
  378    HA   ILE  47           HA       ILE  47   4.835   1.956   5.090
  379    HB   ILE  47           HB       ILE  47   5.462  -0.381   5.560
  380   1HG1  ILE  47          1HG1      ILE  47   4.559   0.697   8.212
  381   2HG1  ILE  47          2HG1      ILE  47   3.585   1.050   6.782
  382   1HG2  ILE  47          1HG2      ILE  47   6.995   0.692   7.966
  383   2HG2  ILE  47          2HG2      ILE  47   6.716  -1.004   7.555
  384   3HG2  ILE  47          3HG2      ILE  47   7.736  -0.008   6.511
  385   1HD1  ILE  47          1HD1      ILE  47   4.457  -1.737   7.628
  386   2HD1  ILE  47          2HD1      ILE  47   2.827  -1.045   7.816
  387   3HD1  ILE  47          3HD1      ILE  47   3.500  -1.334   6.189
  388    H    GLU  48           H        GLU  48   8.056   2.713   5.966
  389    HA   GLU  48           HA       GLU  48   7.423   4.543   8.148
  390   1HB   GLU  48          1HB       GLU  48   9.898   4.201   6.409
  391   2HB   GLU  48          2HB       GLU  48   9.785   5.354   7.739
  392   1HG   GLU  48          1HG       GLU  48   9.555   2.328   7.990
  393   2HG   GLU  48          2HG       GLU  48  10.950   3.309   8.417
  394    H    GLU  49           H        GLU  49   6.790   4.600   4.880
  395    HA   GLU  49           HA       GLU  49   6.486   7.576   4.815
  396   1HB   GLU  49          1HB       GLU  49   7.483   5.746   2.588
  397   2HB   GLU  49          2HB       GLU  49   7.064   7.451   2.377
  398   1HG   GLU  49          1HG       GLU  49   8.812   8.060   4.066
  399   2HG   GLU  49          2HG       GLU  49   9.286   6.359   4.160
  400    H    ILE  50           H        ILE  50   4.777   4.969   5.193
  401    HA   ILE  50           HA       ILE  50   2.952   4.725   3.116
  402    HB   ILE  50           HB       ILE  50   3.387   3.229   5.061
  403   1HG1  ILE  50          1HG1      ILE  50   0.418   3.558   4.625
  404   2HG1  ILE  50          2HG1      ILE  50   1.520   2.952   3.379
  405   1HG2  ILE  50          1HG2      ILE  50   2.202   3.431   7.147
  406   2HG2  ILE  50          2HG2      ILE  50   3.008   4.973   6.865
  407   3HG2  ILE  50          3HG2      ILE  50   1.272   4.823   6.559
  408   1HD1  ILE  50          1HD1      ILE  50   2.217   1.098   4.781
  409   2HD1  ILE  50          2HD1      ILE  50   1.216   1.681   6.137
  410   3HD1  ILE  50          3HD1      ILE  50   0.451   1.108   4.665
  411    H    VAL  51           H        VAL  51   1.006   5.254   2.747
  412    HA   VAL  51           HA       VAL  51  -0.481   7.419   4.208
  413    HB   VAL  51           HB       VAL  51  -0.433   7.009   1.201
  414   1HG1  VAL  51          1HG1      VAL  51  -1.870   9.027   1.124
  415   2HG1  VAL  51          2HG1      VAL  51  -2.679   7.704   1.962
  416   3HG1  VAL  51          3HG1      VAL  51  -1.963   9.033   2.901
  417   1HG2  VAL  51          1HG2      VAL  51   0.564   9.330   2.910
  418   2HG2  VAL  51          2HG2      VAL  51   1.583   8.191   2.007
  419   3HG2  VAL  51          3HG2      VAL  51   0.513   9.293   1.133
  420    H    GLU  52           H        GLU  52  -1.747   6.050   5.426
  421    HA   GLU  52           HA       GLU  52  -3.105   3.761   4.140
  422   1HB   GLU  52          1HB       GLU  52  -3.514   4.659   6.998
  423   2HB   GLU  52          2HB       GLU  52  -3.794   3.063   6.272
  424   1HG   GLU  52          1HG       GLU  52  -1.397   2.665   6.120
  425   2HG   GLU  52          2HG       GLU  52  -1.042   4.300   6.684
  426    H    ILE  53           H        ILE  53  -5.038   3.898   3.202
  427    HA   ILE  53           HA       ILE  53  -6.792   6.246   3.616
  428    HB   ILE  53           HB       ILE  53  -7.132   3.902   1.697
  429   1HG1  ILE  53          1HG1      ILE  53  -6.684   5.934   0.021
  430   2HG1  ILE  53          2HG1      ILE  53  -5.766   6.587   1.371
  431   1HG2  ILE  53          1HG2      ILE  53  -8.550   6.595   1.892
  432   2HG2  ILE  53          2HG2      ILE  53  -8.816   5.361   0.643
  433   3HG2  ILE  53          3HG2      ILE  53  -9.250   5.016   2.313
  434   1HD1  ILE  53          1HD1      ILE  53  -5.328   3.875   0.018
  435   2HD1  ILE  53          2HD1      ILE  53  -4.376   5.342  -0.266
  436   3HD1  ILE  53          3HD1      ILE  53  -4.310   4.553   1.313
  437    H    VAL  54           H        VAL  54  -7.657   6.015   5.611
  438    HA   VAL  54           HA       VAL  54  -8.357   3.676   6.946
  439    HB   VAL  54           HB       VAL  54  -8.118   5.782   8.048
  440   1HG1  VAL  54          1HG1      VAL  54  -9.313   7.296   6.466
  441   2HG1  VAL  54          2HG1      VAL  54 -10.859   6.634   7.040
  442   3HG1  VAL  54          3HG1      VAL  54  -9.792   7.504   8.155
  443   1HG2  VAL  54          1HG2      VAL  54  -9.336   3.965   9.180
  444   2HG2  VAL  54          2HG2      VAL  54  -9.892   5.563   9.696
  445   3HG2  VAL  54          3HG2      VAL  54 -10.878   4.619   8.568
  446    HA   PRO  55           HA       PRO  55 -11.696   2.331   4.341
  447   1HB   PRO  55          1HB       PRO  55 -12.411  -0.020   5.548
  448   2HB   PRO  55          2HB       PRO  55 -10.862   0.215   4.686
  449   1HG   PRO  55          1HG       PRO  55 -11.379   0.456   7.673
  450   2HG   PRO  55          2HG       PRO  55 -10.105  -0.500   6.845
  451   1HD   PRO  55          1HD       PRO  55  -9.598   1.974   7.830
  452   2HD   PRO  55          2HD       PRO  55  -8.887   1.447   6.276
  453    H    SER  56           H        SER  56 -12.265   3.136   7.669
  454    HA   SER  56           HA       SER  56 -14.984   2.647   8.067
  455   1HB   SER  56          1HB       SER  56 -13.391   5.063   9.014
  456   2HB   SER  56          2HB       SER  56 -14.866   4.416   9.756
  457    HG   SER  56           HG       SER  56 -13.734   2.512  10.260
  Start of MODEL    5
    1    H    MET   1           H        MET   1  -6.358   1.493  -9.668
    2    HA   MET   1           HA       MET   1  -6.522   1.518  -7.257
    3   1HB   MET   1          1HB       MET   1  -8.893   1.296  -6.833
    4   2HB   MET   1          2HB       MET   1  -8.634   2.048  -8.407
    5   1HG   MET   1          1HG       MET   1  -9.062  -0.121  -9.526
    6   2HG   MET   1          2HG       MET   1  -9.311  -0.895  -7.963
    7   1HE   MET   1          1HE       MET   1 -11.406  -0.741  -6.504
    8   2HE   MET   1          2HE       MET   1 -11.129   0.997  -6.244
    9   3HE   MET   1          3HE       MET   1 -12.730   0.420  -6.746
   10    H    LEU   2           H        LEU   2  -6.088  -1.502  -8.520
   11    HA   LEU   2           HA       LEU   2  -6.590  -2.951  -5.943
   12   1HB   LEU   2          1HB       LEU   2  -6.059  -4.102  -8.713
   13   2HB   LEU   2          2HB       LEU   2  -6.493  -5.017  -7.272
   14    HG   LEU   2           HG       LEU   2  -8.306  -3.025  -8.713
   15   1HD1  LEU   2          1HD1      LEU   2  -9.571  -5.009  -9.388
   16   2HD1  LEU   2          2HD1      LEU   2  -7.907  -5.091  -9.989
   17   3HD1  LEU   2          3HD1      LEU   2  -8.389  -6.064  -8.581
   18   1HD2  LEU   2          1HD2      LEU   2 -10.097  -3.934  -7.275
   19   2HD2  LEU   2          2HD2      LEU   2  -8.907  -4.932  -6.416
   20   3HD2  LEU   2          3HD2      LEU   2  -8.846  -3.157  -6.294
   21    H    CYS   3           H        CYS   3  -5.052  -4.412  -5.051
   22    HA   CYS   3           HA       CYS   3  -2.775  -3.083  -4.634
   23   1HB   CYS   3          1HB       CYS   3  -2.985  -6.056  -4.099
   24   2HB   CYS   3          2HB       CYS   3  -2.268  -4.851  -3.119
   25    HG   CYS   3           HG       CYS   3  -4.540  -6.352  -2.635
   26    H    ALA   4           H        ALA   4  -0.749  -2.975  -5.123
   27    HA   ALA   4           HA       ALA   4   0.163  -4.191  -7.634
   28   1HB   ALA   4          1HB       ALA   4   1.926  -2.785  -5.621
   29   2HB   ALA   4          2HB       ALA   4   2.191  -3.017  -7.350
   30   3HB   ALA   4          3HB       ALA   4   0.907  -1.922  -6.811
   31    H    ILE   5           H        ILE   5   0.098  -5.277  -4.341
   32    HA   ILE   5           HA       ILE   5   2.386  -7.111  -4.616
   33    HB   ILE   5           HB       ILE   5   0.412  -6.582  -2.375
   34   1HG1  ILE   5          1HG1      ILE   5   2.839  -6.113  -1.299
   35   2HG1  ILE   5          2HG1      ILE   5   3.243  -5.736  -2.965
   36   1HG2  ILE   5          1HG2      ILE   5   2.763  -8.574  -2.589
   37   2HG2  ILE   5          2HG2      ILE   5   1.968  -8.165  -1.063
   38   3HG2  ILE   5          3HG2      ILE   5   1.058  -8.997  -2.316
   39   1HD1  ILE   5          1HD1      ILE   5   2.509  -3.773  -1.605
   40   2HD1  ILE   5          2HD1      ILE   5   1.439  -4.030  -2.991
   41   3HD1  ILE   5          3HD1      ILE   5   0.940  -4.535  -1.355
   42    H    SER   6           H        SER   6  -1.161  -7.630  -4.044
   43    HA   SER   6           HA       SER   6  -0.902 -10.113  -5.681
   44   1HB   SER   6          1HB       SER   6  -2.704  -9.954  -3.291
   45   2HB   SER   6          2HB       SER   6  -2.406 -11.344  -4.333
   46    HG   SER   6           HG       SER   6  -1.142 -11.507  -2.470
   47    H    GLY   7           H        GLY   7  -2.681  -7.208  -5.560
   48   1HA   GLY   7          1HA       GLY   7  -4.110  -6.470  -7.259
   49   2HA   GLY   7          2HA       GLY   7  -4.057  -8.092  -7.925
   50    H    LYS   8           H        LYS   8  -4.742  -7.907  -4.706
   51    HA   LYS   8           HA       LYS   8  -7.433  -9.010  -4.757
   52   1HB   LYS   8          1HB       LYS   8  -5.546  -9.461  -3.116
   53   2HB   LYS   8          2HB       LYS   8  -5.664  -7.807  -2.565
   54   1HG   LYS   8          1HG       LYS   8  -6.706  -9.249  -0.954
   55   2HG   LYS   8          2HG       LYS   8  -8.010  -8.346  -1.727
   56   1HD   LYS   8          1HD       LYS   8  -8.495 -10.293  -3.194
   57   2HD   LYS   8          2HD       LYS   8  -7.118 -11.166  -2.491
   58   1HE   LYS   8          1HE       LYS   8  -8.202 -11.050  -0.249
   59   2HE   LYS   8          2HE       LYS   8  -9.574 -10.181  -0.954
   60   1HZ   LYS   8          1HZ       LYS   8 -10.047 -12.551  -0.743
   61   2HZ   LYS   8          2HZ       LYS   8 -10.029 -12.157  -2.322
   62   3HZ   LYS   8          3HZ       LYS   8  -8.761 -12.954  -1.662
   63    H    VAL   9           H        VAL   9  -9.278  -7.966  -3.681
   64    HA   VAL   9           HA       VAL   9  -9.641  -5.105  -4.285
   65    HB   VAL   9           HB       VAL   9 -11.424  -7.014  -2.714
   66   1HG1  VAL   9          1HG1      VAL   9 -11.843  -4.653  -2.092
   67   2HG1  VAL   9          2HG1      VAL   9 -11.953  -4.209  -3.809
   68   3HG1  VAL   9          3HG1      VAL   9 -13.168  -5.280  -3.077
   69   1HG2  VAL   9          1HG2      VAL   9 -11.592  -6.006  -5.593
   70   2HG2  VAL   9          2HG2      VAL   9 -11.240  -7.670  -5.086
   71   3HG2  VAL   9          3HG2      VAL   9 -12.828  -6.972  -4.758
   72    HA   PRO  10           HA       PRO  10  -7.134  -4.466  -0.652
   73   1HB   PRO  10          1HB       PRO  10  -7.196  -1.725  -0.413
   74   2HB   PRO  10          2HB       PRO  10  -6.218  -2.621  -1.612
   75   1HG   PRO  10          1HG       PRO  10  -8.937  -1.342  -2.006
   76   2HG   PRO  10          2HG       PRO  10  -7.492  -1.239  -3.065
   77   1HD   PRO  10          1HD       PRO  10  -9.507  -2.973  -3.590
   78   2HD   PRO  10          2HD       PRO  10  -7.799  -3.442  -3.855
   79    H    ARG  11           H        ARG  11  -8.114  -5.354   1.024
   80    HA   ARG  11           HA       ARG  11 -10.505  -4.617   2.377
   81   1HB   ARG  11          1HB       ARG  11  -8.006  -5.928   3.524
   82   2HB   ARG  11          2HB       ARG  11  -9.585  -5.888   4.305
   83   1HG   ARG  11          1HG       ARG  11 -10.588  -7.170   2.461
   84   2HG   ARG  11          2HG       ARG  11  -9.043  -7.216   1.602
   85   1HD   ARG  11          1HD       ARG  11  -9.536  -8.429   4.352
   86   2HD   ARG  11          2HD       ARG  11  -9.576  -9.307   2.816
   87    HE   ARG  11           HE       ARG  11  -7.059  -7.830   3.378
   88   1HH1  ARG  11          2HH2      ARG  11  -8.532 -11.005   3.644
   89   2HH1  ARG  11          1HH2      ARG  11  -6.961 -11.762   3.754
   90   1HH2  ARG  11          2HH1      ARG  11  -5.271  -8.759   3.527
   91   2HH2  ARG  11          1HH1      ARG  11  -5.097 -10.512   3.686
   92    H    ARG  12           H        ARG  12  -7.163  -3.645   3.119
   93    HA   ARG  12           HA       ARG  12  -8.232  -1.091   4.350
   94   1HB   ARG  12          1HB       ARG  12  -5.764  -2.671   5.064
   95   2HB   ARG  12          2HB       ARG  12  -6.129  -1.072   5.692
   96   1HG   ARG  12          1HG       ARG  12  -7.874  -1.800   7.036
   97   2HG   ARG  12          2HG       ARG  12  -8.241  -3.218   6.056
   98   1HD   ARG  12          1HD       ARG  12  -5.720  -2.939   7.703
   99   2HD   ARG  12          2HD       ARG  12  -7.194  -3.729   8.256
  100    HE   ARG  12           HE       ARG  12  -5.686  -4.664   5.793
  101   1HH1  ARG  12          2HH1      ARG  12  -7.269  -5.589   8.795
  102   2HH1  ARG  12          1HH1      ARG  12  -7.184  -7.279   8.373
  103   1HH2  ARG  12          2HH2      ARG  12  -5.675  -6.751   5.330
  104   2HH2  ARG  12          1HH2      ARG  12  -6.298  -7.920   6.481
  105    HA   PRO  13           HA       PRO  13  -6.050  -0.025   0.450
  106   1HB   PRO  13          1HB       PRO  13  -7.196   2.475   0.059
  107   2HB   PRO  13          2HB       PRO  13  -7.893   0.919  -0.479
  108   1HG   PRO  13          1HG       PRO  13  -8.493   2.411   2.103
  109   2HG   PRO  13          2HG       PRO  13  -9.659   1.740   0.906
  110   1HD   PRO  13          1HD       PRO  13  -9.110   0.266   3.049
  111   2HD   PRO  13          2HD       PRO  13  -8.960  -0.504   1.421
  112    H    VAL  14           H        VAL  14  -4.175   0.552   0.505
  113    HA   VAL  14           HA       VAL  14  -3.192   2.924   2.059
  114    HB   VAL  14           HB       VAL  14  -2.935   0.418   3.072
  115   1HG1  VAL  14          1HG1      VAL  14  -0.609  -0.356   2.807
  116   2HG1  VAL  14          2HG1      VAL  14  -1.573  -0.497   1.334
  117   3HG1  VAL  14          3HG1      VAL  14  -0.359   0.805   1.510
  118   1HG2  VAL  14          1HG2      VAL  14  -2.454   2.313   4.342
  119   2HG2  VAL  14          2HG2      VAL  14  -1.015   1.309   4.388
  120   3HG2  VAL  14          3HG2      VAL  14  -1.050   2.747   3.329
  121    H    LEU  15           H        LEU  15  -1.307   3.911   1.310
  122    HA   LEU  15           HA       LEU  15  -0.506   3.289  -1.512
  123   1HB   LEU  15          1HB       LEU  15  -2.220   4.973  -1.424
  124   2HB   LEU  15          2HB       LEU  15  -1.392   5.901  -0.206
  125    HG   LEU  15           HG       LEU  15   0.070   5.473  -2.810
  126   1HD1  LEU  15          1HD1      LEU  15  -1.118   7.412  -3.816
  127   2HD1  LEU  15          2HD1      LEU  15  -2.179   6.016  -3.595
  128   3HD1  LEU  15          3HD1      LEU  15  -2.280   7.388  -2.469
  129   1HD2  LEU  15          1HD2      LEU  15   1.034   6.858  -0.904
  130   2HD2  LEU  15          2HD2      LEU  15   0.834   7.750  -2.419
  131   3HD2  LEU  15          3HD2      LEU  15  -0.326   7.968  -1.096
  132    H    SER  16           H        SER  16   1.605   3.907  -2.080
  133    HA   SER  16           HA       SER  16   3.434   4.926   0.056
  134   1HB   SER  16          1HB       SER  16   4.129   2.687  -0.621
  135   2HB   SER  16          2HB       SER  16   4.112   3.175  -2.334
  136    HG   SER  16           HG       SER  16   6.191   3.252  -1.293
  137    HA   PRO  17           HA       PRO  17   3.316   8.397  -2.764
  138   1HB   PRO  17          1HB       PRO  17   5.346   9.974  -1.783
  139   2HB   PRO  17          2HB       PRO  17   3.756   9.759  -0.989
  140   1HG   PRO  17          1HG       PRO  17   6.352   8.321  -0.384
  141   2HG   PRO  17          2HG       PRO  17   5.203   9.085   0.760
  142   1HD   PRO  17          1HD       PRO  17   5.186   6.402   0.256
  143   2HD   PRO  17          2HD       PRO  17   3.670   7.308   0.557
  144    H    LYS  18           H        LYS  18   5.749   6.067  -2.826
  145    HA   LYS  18           HA       LYS  18   7.438   7.283  -4.935
  146   1HB   LYS  18          1HB       LYS  18   7.414   4.515  -3.645
  147   2HB   LYS  18          2HB       LYS  18   8.459   5.006  -4.970
  148   1HG   LYS  18          1HG       LYS  18   9.778   5.137  -3.084
  149   2HG   LYS  18          2HG       LYS  18   9.443   6.798  -3.533
  150   1HD   LYS  18          1HD       LYS  18   8.122   7.197  -1.649
  151   2HD   LYS  18          2HD       LYS  18   7.704   5.490  -1.417
  152   1HE   LYS  18          1HE       LYS  18  10.567   6.420  -1.127
  153   2HE   LYS  18          2HE       LYS  18   9.425   6.610   0.212
  154   1HZ   LYS  18          1HZ       LYS  18   9.081   4.270   0.284
  155   2HZ   LYS  18          2HZ       LYS  18   9.808   3.982  -1.115
  156   3HZ   LYS  18          3HZ       LYS  18  10.696   4.432   0.201
  157    H    SER  19           H        SER  19   5.188   4.488  -4.624
  158    HA   SER  19           HA       SER  19   5.044   4.055  -7.500
  159   1HB   SER  19          1HB       SER  19   3.617   2.217  -6.869
  160   2HB   SER  19          2HB       SER  19   5.025   2.264  -5.780
  161    HG   SER  19           HG       SER  19   2.484   2.245  -5.119
  162    H    ARG  20           H        ARG  20   3.043   5.446  -4.980
  163    HA   ARG  20           HA       ARG  20   1.148   6.614  -4.827
  164   1HB   ARG  20          1HB       ARG  20   1.464   7.476  -7.716
  165   2HB   ARG  20          2HB       ARG  20   0.600   8.300  -6.408
  166   1HG   ARG  20          1HG       ARG  20   2.856   8.443  -5.181
  167   2HG   ARG  20          2HG       ARG  20   3.608   7.888  -6.678
  168   1HD   ARG  20          1HD       ARG  20   3.858  10.186  -6.809
  169   2HD   ARG  20          2HD       ARG  20   2.458   9.878  -7.827
  170    HE   ARG  20           HE       ARG  20   1.114  11.064  -6.322
  171   1HH1  ARG  20          2HH2      ARG  20   4.163  10.449  -4.644
  172   2HH1  ARG  20          1HH2      ARG  20   3.792  11.652  -3.436
  173   1HH2  ARG  20          2HH1      ARG  20   0.719  12.489  -4.694
  174   2HH2  ARG  20          1HH1      ARG  20   1.889  12.711  -3.427
  175    H    THR  21           H        THR  21   1.168   3.813  -6.104
  176    HA   THR  21           HA       THR  21  -1.516   3.449  -7.184
  177    HB   THR  21           HB       THR  21  -0.820   1.048  -6.984
  178    HG1  THR  21           1HG      THR  21   1.229   0.577  -6.314
  179   1HG2  THR  21          1HG2      THR  21   0.824   1.047  -8.702
  180   2HG2  THR  21          2HG2      THR  21  -0.164   2.485  -8.991
  181   3HG2  THR  21          3HG2      THR  21   1.442   2.644  -8.234
  182    H    ILE  22           H        ILE  22  -2.788   1.528  -5.971
  183    HA   ILE  22           HA       ILE  22  -2.767   1.999  -3.019
  184    HB   ILE  22           HB       ILE  22  -5.087   1.254  -4.787
  185   1HG1  ILE  22          1HG1      ILE  22  -4.636   3.626  -5.108
  186   2HG1  ILE  22          2HG1      ILE  22  -6.158   3.354  -4.283
  187   1HG2  ILE  22          1HG2      ILE  22  -5.348   0.180  -2.648
  188   2HG2  ILE  22          2HG2      ILE  22  -4.944   1.672  -1.778
  189   3HG2  ILE  22          3HG2      ILE  22  -6.460   1.547  -2.700
  190   1HD1  ILE  22          1HD1      ILE  22  -4.904   5.261  -3.328
  191   2HD1  ILE  22          2HD1      ILE  22  -5.148   3.991  -2.121
  192   3HD1  ILE  22          3HD1      ILE  22  -3.569   4.168  -2.918
  193    H    PHE  23           H        PHE  23  -2.393   0.266  -1.881
  194    HA   PHE  23           HA       PHE  23  -3.045  -2.421  -2.883
  195   1HB   PHE  23          1HB       PHE  23  -0.858  -3.043  -1.363
  196   2HB   PHE  23          2HB       PHE  23  -0.892  -3.016  -3.110
  197    HD1  PHE  23           1HD      PHE  23   0.742  -1.761  -4.205
  198    HD2  PHE  23           2HD      PHE  23  -0.155  -0.979  -0.167
  199    HE1  PHE  23           1HE      PHE  23   2.466   0.049  -4.239
  200    HE2  PHE  23           2HE      PHE  23   1.460   1.014  -0.176
  201    HZ   PHE  23           HZ       PHE  23   2.776   1.458  -2.232
  202    H    GLU  24           H        GLU  24  -2.852  -4.015  -1.046
  203    HA   GLU  24           HA       GLU  24  -4.667  -2.981   0.954
  204   1HB   GLU  24          1HB       GLU  24  -4.349  -5.466   0.027
  205   2HB   GLU  24          2HB       GLU  24  -3.385  -5.583   1.519
  206   1HG   GLU  24          1HG       GLU  24  -6.081  -4.348   1.810
  207   2HG   GLU  24          2HG       GLU  24  -6.077  -6.027   1.291
  208    H    LYS  25           H        LYS  25  -4.080  -2.819   3.369
  209    HA   LYS  25           HA       LYS  25  -1.439  -1.852   4.019
  210   1HB   LYS  25          1HB       LYS  25  -3.474  -1.351   5.398
  211   2HB   LYS  25          2HB       LYS  25  -3.539  -3.061   5.868
  212   1HG   LYS  25          1HG       LYS  25  -1.058  -2.693   6.692
  213   2HG   LYS  25          2HG       LYS  25  -1.411  -0.987   6.508
  214   1HD   LYS  25          1HD       LYS  25  -1.677  -1.640   8.804
  215   2HD   LYS  25          2HD       LYS  25  -3.253  -1.207   8.154
  216   1HE   LYS  25          1HE       LYS  25  -3.323  -3.161   9.658
  217   2HE   LYS  25          2HE       LYS  25  -3.919  -3.550   8.048
  218   1HZ   LYS  25          1HZ       LYS  25  -1.105  -4.176   8.776
  219   2HZ   LYS  25          2HZ       LYS  25  -2.336  -5.183   9.153
  220   3HZ   LYS  25          3HZ       LYS  25  -2.058  -4.851   7.608
  221    H    SER  26           H        SER  26  -3.100  -4.948   4.537
  222    HA   SER  26           HA       SER  26  -0.766  -6.051   5.815
  223   1HB   SER  26          1HB       SER  26  -3.308  -7.417   4.924
  224   2HB   SER  26          2HB       SER  26  -2.038  -8.175   5.905
  225    HG   SER  26           HG       SER  26  -3.696  -7.196   7.190
  226    H    LEU  27           H        LEU  27  -1.737  -6.100   2.443
  227    HA   LEU  27           HA       LEU  27   0.110  -8.254   1.702
  228   1HB   LEU  27          1HB       LEU  27  -1.018  -6.065  -0.079
  229   2HB   LEU  27          2HB       LEU  27  -0.189  -7.548  -0.528
  230    HG   LEU  27           HG       LEU  27  -3.014  -7.236   0.363
  231   1HD1  LEU  27          1HD1      LEU  27  -1.664  -8.574  -1.936
  232   2HD1  LEU  27          2HD1      LEU  27  -3.430  -8.460  -1.670
  233   3HD1  LEU  27          3HD1      LEU  27  -2.468  -6.990  -1.947
  234   1HD2  LEU  27          1HD2      LEU  27  -3.305  -9.634   0.439
  235   2HD2  LEU  27          2HD2      LEU  27  -1.538  -9.866   0.331
  236   3HD2  LEU  27          3HD2      LEU  27  -2.280  -9.063   1.748
  237    H    LEU  28           H        LEU  28   0.252  -4.663   1.780
  238    HA   LEU  28           HA       LEU  28   2.923  -4.485   0.690
  239   1HB   LEU  28          1HB       LEU  28   1.399  -2.544   0.774
  240   2HB   LEU  28          2HB       LEU  28   1.501  -2.549   2.533
  241    HG   LEU  28           HG       LEU  28   4.091  -2.310   2.219
  242   1HD1  LEU  28          1HD1      LEU  28   4.779  -1.214   0.118
  243   2HD1  LEU  28          2HD1      LEU  28   4.263  -2.881  -0.146
  244   3HD1  LEU  28          3HD1      LEU  28   3.180  -1.534  -0.573
  245   1HD2  LEU  28          1HD2      LEU  28   2.774  -0.578   3.109
  246   2HD2  LEU  28          2HD2      LEU  28   3.865   0.137   1.908
  247   3HD2  LEU  28          3HD2      LEU  28   2.150  -0.126   1.515
  248    H    GLU  29           H        GLU  29   1.570  -4.541   4.011
  249    HA   GLU  29           HA       GLU  29   3.885  -4.369   5.565
  250   1HB   GLU  29          1HB       GLU  29   1.529  -4.316   6.339
  251   2HB   GLU  29          2HB       GLU  29   1.458  -6.082   6.165
  252   1HG   GLU  29          1HG       GLU  29   3.291  -6.268   7.852
  253   2HG   GLU  29          2HG       GLU  29   3.309  -4.508   8.011
  254    H    GLN  30           H        GLN  30   2.541  -7.264   3.984
  255    HA   GLN  30           HA       GLN  30   4.482  -9.157   4.974
  256   1HB   GLN  30          1HB       GLN  30   2.268  -9.611   3.773
  257   2HB   GLN  30          2HB       GLN  30   3.092  -9.253   2.265
  258   1HG   GLN  30          1HG       GLN  30   4.728 -11.075   2.717
  259   2HG   GLN  30          2HG       GLN  30   3.922 -11.414   4.251
  260   1HE2  GLN  30          1HE2      GLN  30   3.413 -11.426   0.664
  261   2HE2  GLN  30          2HE2      GLN  30   2.136 -12.636   0.750
  262    H    TYR  31           H        TYR  31   4.409  -7.140   2.032
  263    HA   TYR  31           HA       TYR  31   6.802  -8.277   0.859
  264   1HB   TYR  31          1HB       TYR  31   4.893  -7.221  -0.373
  265   2HB   TYR  31          2HB       TYR  31   5.375  -5.652   0.260
  266    HD1  TYR  31           1HD      TYR  31   6.711  -4.316  -1.179
  267    HD2  TYR  31           2HD      TYR  31   6.899  -8.597  -1.484
  268    HE1  TYR  31           1HE      TYR  31   8.246  -4.120  -3.133
  269    HE2  TYR  31           2HE      TYR  31   8.319  -8.367  -3.567
  270    HH   TYR  31           HH       TYR  31   9.390  -5.194  -4.769
  271    H    VAL  32           H        VAL  32   6.124  -5.428   2.768
  272    HA   VAL  32           HA       VAL  32   8.786  -4.388   2.498
  273    HB   VAL  32           HB       VAL  32   6.538  -3.151   2.789
  274   1HG1  VAL  32          1HG1      VAL  32   5.662  -2.668   4.931
  275   2HG1  VAL  32          2HG1      VAL  32   5.943  -4.404   4.896
  276   3HG1  VAL  32          3HG1      VAL  32   7.069  -3.361   5.776
  277   1HG2  VAL  32          1HG2      VAL  32   8.518  -1.789   2.800
  278   2HG2  VAL  32          2HG2      VAL  32   7.473  -1.231   4.104
  279   3HG2  VAL  32          3HG2      VAL  32   8.891  -2.209   4.496
  280    H    LYS  33           H        LYS  33   7.286  -6.513   4.739
  281    HA   LYS  33           HA       LYS  33   9.410  -6.502   6.796
  282   1HB   LYS  33          1HB       LYS  33   7.061  -7.009   7.296
  283   2HB   LYS  33          2HB       LYS  33   7.083  -8.354   6.147
  284   1HG   LYS  33          1HG       LYS  33   8.685  -9.567   7.585
  285   2HG   LYS  33          2HG       LYS  33   8.685  -8.195   8.729
  286   1HD   LYS  33          1HD       LYS  33   6.239  -8.463   9.048
  287   2HD   LYS  33          2HD       LYS  33   6.206  -9.726   7.824
  288   1HE   LYS  33          1HE       LYS  33   6.118 -10.806   9.968
  289   2HE   LYS  33          2HE       LYS  33   7.687 -11.153   9.242
  290   1HZ   LYS  33          1HZ       LYS  33   7.885 -10.533  11.591
  291   2HZ   LYS  33          2HZ       LYS  33   8.654  -9.422  10.675
  292   3HZ   LYS  33          3HZ       LYS  33   7.192  -9.084  11.322
  293    H    ASP  34           H        ASP  34   8.727  -8.024   3.781
  294    HA   ASP  34           HA       ASP  34  10.560 -10.286   3.955
  295   1HB   ASP  34          1HB       ASP  34   8.602  -9.203   2.084
  296   2HB   ASP  34          2HB       ASP  34  10.070  -9.502   1.224
  297    H    THR  35           H        THR  35  10.594  -7.242   2.126
  298    HA   THR  35           HA       THR  35  13.608  -7.226   2.058
  299    HB   THR  35           HB       THR  35  13.545  -6.508  -0.254
  300    HG1  THR  35           1HG      THR  35  10.772  -7.117  -0.209
  301   1HG2  THR  35          1HG2      THR  35  12.942  -8.541  -1.385
  302   2HG2  THR  35          2HG2      THR  35  13.736  -8.934   0.152
  303   3HG2  THR  35          3HG2      THR  35  11.973  -9.094  -0.009
  304    H    GLY  36           H        GLY  36  10.628  -5.438   2.354
  305   1HA   GLY  36          1HA       GLY  36  10.348  -3.321   3.211
  306   2HA   GLY  36          2HA       GLY  36  12.062  -2.991   3.096
  307    H    ASN  37           H        ASN  37  11.529  -4.103   0.125
  308    HA   ASN  37           HA       ASN  37  11.724  -1.437  -1.023
  309   1HB   ASN  37          1HB       ASN  37  11.409  -4.192  -2.284
  310   2HB   ASN  37          2HB       ASN  37  11.770  -2.724  -3.176
  311   1HD2  ASN  37          2HD2      ASN  37  13.935  -1.629  -2.788
  312   2HD2  ASN  37          1HD2      ASN  37  15.186  -2.633  -2.076
  313    H    ASP  38           H        ASP  38  10.277  -0.248  -2.268
  314    HA   ASP  38           HA       ASP  38   7.458  -0.637  -2.026
  315   1HB   ASP  38          1HB       ASP  38   9.136   0.989  -3.961
  316   2HB   ASP  38          2HB       ASP  38   7.368   0.994  -3.997
  317    HA   PRO  39           HA       PRO  39   6.743  -4.020  -4.842
  318   1HB   PRO  39          1HB       PRO  39   4.249  -2.515  -5.614
  319   2HB   PRO  39          2HB       PRO  39   4.428  -4.249  -5.188
  320   1HG   PRO  39          1HG       PRO  39   3.471  -2.504  -3.370
  321   2HG   PRO  39          2HG       PRO  39   4.706  -3.712  -2.873
  322   1HD   PRO  39          1HD       PRO  39   5.082  -0.785  -3.511
  323   2HD   PRO  39          2HD       PRO  39   5.780  -1.776  -2.196
  324    H    ILE  40           H        ILE  40   7.044  -0.864  -6.215
  325    HA   ILE  40           HA       ILE  40   7.032  -1.931  -9.032
  326    HB   ILE  40           HB       ILE  40   5.662   0.531  -7.926
  327   1HG1  ILE  40          1HG1      ILE  40   4.488  -1.520  -9.839
  328   2HG1  ILE  40          2HG1      ILE  40   4.563  -1.883  -8.119
  329   1HG2  ILE  40          1HG2      ILE  40   6.800   1.311  -9.943
  330   2HG2  ILE  40          2HG2      ILE  40   6.241  -0.110 -10.855
  331   3HG2  ILE  40          3HG2      ILE  40   5.091   1.122 -10.301
  332   1HD1  ILE  40          1HD1      ILE  40   3.176   0.564  -9.244
  333   2HD1  ILE  40          2HD1      ILE  40   2.397  -0.944  -8.733
  334   3HD1  ILE  40          3HD1      ILE  40   3.257   0.050  -7.539
  335    H    THR  41           H        THR  41   8.165   0.795  -6.951
  336    HA   THR  41           HA       THR  41  10.214   1.508  -8.947
  337    HB   THR  41           HB       THR  41  10.822   3.285  -7.243
  338    HG1  THR  41           1HG      THR  41   8.268   2.576  -6.349
  339   1HG2  THR  41          1HG2      THR  41   8.001   3.301  -8.412
  340   2HG2  THR  41          2HG2      THR  41   8.913   4.714  -7.833
  341   3HG2  THR  41          3HG2      THR  41   9.486   3.809  -9.245
  342    H    ASN  42           H        ASN  42   9.928  -0.658  -6.330
  343    HA   ASN  42           HA       ASN  42  11.140  -1.504  -4.770
  344   1HB   ASN  42          1HB       ASN  42  12.887  -2.853  -5.513
  345   2HB   ASN  42          2HB       ASN  42  11.683  -2.776  -6.772
  346   1HD2  ASN  42          1HD2      ASN  42  14.773  -1.169  -5.851
  347   2HD2  ASN  42          2HD2      ASN  42  15.367  -1.072  -7.513
  348    H    GLU  43           H        GLU  43  11.260   1.287  -4.576
  349    HA   GLU  43           HA       GLU  43  13.996   1.909  -3.638
  350   1HB   GLU  43          1HB       GLU  43  11.436   3.413  -2.999
  351   2HB   GLU  43          2HB       GLU  43  13.081   3.910  -2.619
  352   1HG   GLU  43          1HG       GLU  43  13.265   3.431  -5.345
  353   2HG   GLU  43          2HG       GLU  43  11.608   3.997  -5.199
  354    HA   PRO  44           HA       PRO  44  13.525  -0.580  -0.031
  355   1HB   PRO  44          1HB       PRO  44  15.601   0.255   1.550
  356   2HB   PRO  44          2HB       PRO  44  15.809  -0.695   0.050
  357   1HG   PRO  44          1HG       PRO  44  16.032   2.310   0.392
  358   2HG   PRO  44          2HG       PRO  44  17.171   1.203  -0.442
  359   1HD   PRO  44          1HD       PRO  44  15.307   2.630  -1.813
  360   2HD   PRO  44          2HD       PRO  44  15.710   0.950  -2.287
  361    H    LEU  45           H        LEU  45  12.222  -0.567   1.653
  362    HA   LEU  45           HA       LEU  45  11.011  -0.076   3.438
  363   1HB   LEU  45          1HB       LEU  45  12.669   2.439   3.781
  364   2HB   LEU  45          2HB       LEU  45  11.272   2.044   4.756
  365    HG   LEU  45           HG       LEU  45  12.324  -0.086   5.480
  366   1HD1  LEU  45          1HD1      LEU  45  14.773   0.982   4.011
  367   2HD1  LEU  45          2HD1      LEU  45  14.827  -0.276   5.269
  368   3HD1  LEU  45          3HD1      LEU  45  13.972  -0.590   3.768
  369   1HD2  LEU  45          1HD2      LEU  45  13.980   2.425   5.979
  370   2HD2  LEU  45          2HD2      LEU  45  12.466   2.002   6.804
  371   3HD2  LEU  45          3HD2      LEU  45  13.898   0.992   7.030
  372    H    SER  46           H        SER  46   9.002   0.734   3.764
  373    HA   SER  46           HA       SER  46   7.829   2.505   1.679
  374   1HB   SER  46          1HB       SER  46   7.845   0.028   1.016
  375   2HB   SER  46          2HB       SER  46   6.615  -0.193   2.252
  376    HG   SER  46           HG       SER  46   6.521   1.378  -0.099
  377    H    ILE  47           H        ILE  47   6.830   0.346   4.284
  378    HA   ILE  47           HA       ILE  47   4.764   1.791   5.289
  379    HB   ILE  47           HB       ILE  47   5.384  -0.600   5.733
  380   1HG1  ILE  47          1HG1      ILE  47   4.546  -0.748   8.100
  381   2HG1  ILE  47          2HG1      ILE  47   4.514   1.018   8.151
  382   1HG2  ILE  47          1HG2      ILE  47   7.138   0.474   7.978
  383   2HG2  ILE  47          2HG2      ILE  47   6.837  -1.221   7.563
  384   3HG2  ILE  47          3HG2      ILE  47   7.748  -0.196   6.452
  385   1HD1  ILE  47          1HD1      ILE  47   3.015  -0.753   6.156
  386   2HD1  ILE  47          2HD1      ILE  47   2.303   0.039   7.578
  387   3HD1  ILE  47          3HD1      ILE  47   2.920   1.016   6.239
  388    H    GLU  48           H        GLU  48   8.062   2.417   5.995
  389    HA   GLU  48           HA       GLU  48   7.600   4.283   8.188
  390   1HB   GLU  48          1HB       GLU  48  10.010   3.783   6.399
  391   2HB   GLU  48          2HB       GLU  48  10.003   4.927   7.734
  392   1HG   GLU  48          1HG       GLU  48   9.575   1.916   7.970
  393   2HG   GLU  48          2HG       GLU  48  11.035   2.804   8.386
  394    H    GLU  49           H        GLU  49   6.824   4.380   4.969
  395    HA   GLU  49           HA       GLU  49   6.733   7.373   4.954
  396   1HB   GLU  49          1HB       GLU  49   8.517   6.108   3.406
  397   2HB   GLU  49          2HB       GLU  49   7.110   5.829   2.389
  398   1HG   GLU  49          1HG       GLU  49   8.178   7.789   1.571
  399   2HG   GLU  49          2HG       GLU  49   6.736   8.356   2.398
  400    H    ILE  50           H        ILE  50   4.891   4.882   5.382
  401    HA   ILE  50           HA       ILE  50   3.045   4.684   3.374
  402    HB   ILE  50           HB       ILE  50   3.462   3.241   5.405
  403   1HG1  ILE  50          1HG1      ILE  50   1.119   2.349   5.546
  404   2HG1  ILE  50          2HG1      ILE  50   0.611   3.676   4.503
  405   1HG2  ILE  50          1HG2      ILE  50   2.167   3.482   7.409
  406   2HG2  ILE  50          2HG2      ILE  50   3.044   4.995   7.149
  407   3HG2  ILE  50          3HG2      ILE  50   1.309   4.898   6.769
  408   1HD1  ILE  50          1HD1      ILE  50   2.828   1.688   3.803
  409   2HD1  ILE  50          2HD1      ILE  50   1.142   1.478   3.329
  410   3HD1  ILE  50          3HD1      ILE  50   2.064   2.847   2.698
  411    H    VAL  51           H        VAL  51   1.195   5.363   2.844
  412    HA   VAL  51           HA       VAL  51  -0.258   7.587   4.258
  413    HB   VAL  51           HB       VAL  51  -0.117   7.140   1.258
  414   1HG1  VAL  51          1HG1      VAL  51  -2.320   8.031   1.949
  415   2HG1  VAL  51          2HG1      VAL  51  -1.517   9.312   2.886
  416   3HG1  VAL  51          3HG1      VAL  51  -1.379   9.268   1.116
  417   1HG2  VAL  51          1HG2      VAL  51   1.038   9.379   2.973
  418   2HG2  VAL  51          2HG2      VAL  51   1.967   8.153   2.083
  419   3HG2  VAL  51          3HG2      VAL  51   1.012   9.340   1.196
  420    H    GLU  52           H        GLU  52  -1.845   6.487   5.349
  421    HA   GLU  52           HA       GLU  52  -3.268   4.245   4.028
  422   1HB   GLU  52          1HB       GLU  52  -2.511   3.932   6.309
  423   2HB   GLU  52          2HB       GLU  52  -3.434   5.348   6.852
  424   1HG   GLU  52          1HG       GLU  52  -5.543   4.206   6.235
  425   2HG   GLU  52          2HG       GLU  52  -4.634   2.825   5.611
  426    H    ILE  53           H        ILE  53  -5.094   4.392   2.999
  427    HA   ILE  53           HA       ILE  53  -6.751   6.859   3.030
  428    HB   ILE  53           HB       ILE  53  -6.699   4.383   1.255
  429   1HG1  ILE  53          1HG1      ILE  53  -6.362   6.112  -0.569
  430   2HG1  ILE  53          2HG1      ILE  53  -6.099   7.320   0.682
  431   1HG2  ILE  53          1HG2      ILE  53  -8.655   6.711   1.133
  432   2HG2  ILE  53          2HG2      ILE  53  -8.457   5.472  -0.121
  433   3HG2  ILE  53          3HG2      ILE  53  -9.043   5.000   1.457
  434   1HD1  ILE  53          1HD1      ILE  53  -4.043   6.356  -0.418
  435   2HD1  ILE  53          2HD1      ILE  53  -4.027   6.230   1.339
  436   3HD1  ILE  53          3HD1      ILE  53  -4.409   4.796   0.348
  437    H    VAL  54           H        VAL  54  -9.000   6.726   3.549
  438    HA   VAL  54           HA       VAL  54  -9.654   5.162   5.821
  439    HB   VAL  54           HB       VAL  54 -12.018   5.908   5.452
  440   1HG1  VAL  54          1HG1      VAL  54 -11.532   8.242   6.004
  441   2HG1  VAL  54          2HG1      VAL  54 -10.394   7.161   6.823
  442   3HG1  VAL  54          3HG1      VAL  54  -9.874   8.074   5.391
  443   1HG2  VAL  54          1HG2      VAL  54 -12.029   6.180   2.978
  444   2HG2  VAL  54          2HG2      VAL  54 -12.486   7.661   3.820
  445   3HG2  VAL  54          3HG2      VAL  54 -10.863   7.515   3.121
  446    HA   PRO  55           HA       PRO  55 -10.896   1.354   3.810
  447   1HB   PRO  55          1HB       PRO  55 -11.704  -0.117   5.948
  448   2HB   PRO  55          2HB       PRO  55  -9.994   0.363   5.716
  449   1HG   PRO  55          1HG       PRO  55 -12.094   1.745   7.431
  450   2HG   PRO  55          2HG       PRO  55 -10.443   1.238   7.907
  451   1HD   PRO  55          1HD       PRO  55 -11.005   3.786   7.098
  452   2HD   PRO  55          2HD       PRO  55  -9.446   2.994   6.701
  453    H    SER  56           H        SER  56 -13.102   3.472   5.354
  454    HA   SER  56           HA       SER  56 -15.390   3.651   5.539
  455   1HB   SER  56          1HB       SER  56 -15.046   2.969   2.597
  456   2HB   SER  56          2HB       SER  56 -16.469   3.751   3.316
  457    HG   SER  56           HG       SER  56 -14.985   5.279   2.461
  Start of MODEL    6
    1    H    MET   1           H        MET   1  -6.333   2.331  -7.550
    2    HA   MET   1           HA       MET   1  -7.640   1.251  -5.716
    3   1HB   MET   1          1HB       MET   1  -8.728   0.835  -8.533
    4   2HB   MET   1          2HB       MET   1  -9.701   0.656  -7.069
    5   1HG   MET   1          1HG       MET   1  -8.270   3.213  -7.886
    6   2HG   MET   1          2HG       MET   1  -9.971   2.861  -8.162
    7   1HE   MET   1          1HE       MET   1  -8.832   5.491  -6.708
    8   2HE   MET   1          2HE       MET   1 -10.551   5.200  -7.055
    9   3HE   MET   1          3HE       MET   1 -10.038   5.674  -5.419
   10    H    LEU   2           H        LEU   2  -5.864  -0.858  -7.576
   11    HA   LEU   2           HA       LEU   2  -6.633  -3.087  -5.823
   12   1HB   LEU   2          1HB       LEU   2  -6.630  -4.775  -7.547
   13   2HB   LEU   2          2HB       LEU   2  -7.832  -3.553  -7.885
   14    HG   LEU   2           HG       LEU   2  -5.873  -2.525  -9.434
   15   1HD1  LEU   2          1HD1      LEU   2  -4.185  -4.284  -8.853
   16   2HD1  LEU   2          2HD1      LEU   2  -5.301  -5.528  -9.453
   17   3HD1  LEU   2          3HD1      LEU   2  -4.621  -4.320 -10.561
   18   1HD2  LEU   2          1HD2      LEU   2  -8.102  -3.218 -10.207
   19   2HD2  LEU   2          2HD2      LEU   2  -6.848  -3.757 -11.329
   20   3HD2  LEU   2          3HD2      LEU   2  -7.591  -4.917 -10.203
   21    H    CYS   3           H        CYS   3  -5.019  -4.385  -5.083
   22    HA   CYS   3           HA       CYS   3  -2.754  -2.980  -4.692
   23   1HB   CYS   3          1HB       CYS   3  -2.960  -5.981  -4.214
   24   2HB   CYS   3          2HB       CYS   3  -2.179  -4.818  -3.237
   25    HG   CYS   3           HG       CYS   3  -4.436  -6.310  -2.664
   26    H    ALA   4           H        ALA   4  -0.689  -2.930  -5.119
   27    HA   ALA   4           HA       ALA   4   0.211  -4.054  -7.692
   28   1HB   ALA   4          1HB       ALA   4   1.968  -2.725  -5.628
   29   2HB   ALA   4          2HB       ALA   4   2.269  -2.936  -7.345
   30   3HB   ALA   4          3HB       ALA   4   0.987  -1.825  -6.827
   31    H    ILE   5           H        ILE   5   0.140  -5.199  -4.430
   32    HA   ILE   5           HA       ILE   5   2.424  -7.032  -4.723
   33    HB   ILE   5           HB       ILE   5   0.453  -6.499  -2.488
   34   1HG1  ILE   5          1HG1      ILE   5   2.886  -6.106  -1.390
   35   2HG1  ILE   5          2HG1      ILE   5   3.317  -5.741  -3.053
   36   1HG2  ILE   5          1HG2      ILE   5   1.951  -8.120  -1.163
   37   2HG2  ILE   5          2HG2      ILE   5   1.033  -8.929  -2.419
   38   3HG2  ILE   5          3HG2      ILE   5   2.750  -8.546  -2.682
   39   1HD1  ILE   5          1HD1      ILE   5   2.668  -3.745  -1.726
   40   2HD1  ILE   5          2HD1      ILE   5   1.554  -3.978  -3.081
   41   3HD1  ILE   5          3HD1      ILE   5   1.075  -4.445  -1.428
   42    H    SER   6           H        SER   6  -1.111  -7.576  -4.138
   43    HA   SER   6           HA       SER   6  -0.876 -10.024  -5.823
   44   1HB   SER   6          1HB       SER   6  -2.642  -9.896  -3.409
   45   2HB   SER   6          2HB       SER   6  -2.361 -11.270  -4.474
   46    HG   SER   6           HG       SER   6  -1.076 -11.460  -2.626
   47    H    GLY   7           H        GLY   7  -2.455  -7.087  -5.853
   48   1HA   GLY   7          1HA       GLY   7  -3.867  -6.381  -7.570
   49   2HA   GLY   7          2HA       GLY   7  -3.840  -8.040  -8.157
   50    H    LYS   8           H        LYS   8  -4.714  -7.715  -5.021
   51    HA   LYS   8           HA       LYS   8  -7.462  -8.690  -5.329
   52   1HB   LYS   8          1HB       LYS   8  -5.824  -9.612  -3.754
   53   2HB   LYS   8          2HB       LYS   8  -5.538  -8.023  -3.048
   54   1HG   LYS   8          1HG       LYS   8  -7.852  -8.044  -2.156
   55   2HG   LYS   8          2HG       LYS   8  -8.135  -9.638  -2.890
   56   1HD   LYS   8          1HD       LYS   8  -6.281 -10.544  -1.499
   57   2HD   LYS   8          2HD       LYS   8  -6.033  -8.942  -0.780
   58   1HE   LYS   8          1HE       LYS   8  -8.612 -10.585  -0.627
   59   2HE   LYS   8          2HE       LYS   8  -7.409 -10.462   0.664
   60   1HZ   LYS   8          1HZ       LYS   8  -8.951  -8.142  -0.399
   61   2HZ   LYS   8          2HZ       LYS   8  -9.234  -8.902   1.023
   62   3HZ   LYS   8          3HZ       LYS   8  -7.832  -8.078   0.784
   63    H    VAL   9           H        VAL   9  -9.247  -7.715  -4.106
   64    HA   VAL   9           HA       VAL   9  -9.423  -4.788  -4.278
   65    HB   VAL   9           HB       VAL   9 -11.357  -6.019  -4.874
   66   1HG1  VAL   9          1HG1      VAL   9 -12.756  -7.311  -3.401
   67   2HG1  VAL   9          2HG1      VAL   9 -11.155  -8.054  -3.443
   68   3HG1  VAL   9          3HG1      VAL   9 -11.653  -7.084  -2.039
   69   1HG2  VAL   9          1HG2      VAL   9 -11.623  -3.799  -3.837
   70   2HG2  VAL   9          2HG2      VAL   9 -13.024  -4.844  -3.549
   71   3HG2  VAL   9          3HG2      VAL   9 -11.851  -4.566  -2.246
   72    HA   PRO  10           HA       PRO  10  -7.203  -4.866  -0.424
   73   1HB   PRO  10          1HB       PRO  10  -6.964  -2.192   0.130
   74   2HB   PRO  10          2HB       PRO  10  -6.035  -3.042  -1.137
   75   1HG   PRO  10          1HG       PRO  10  -8.577  -1.422  -1.476
   76   2HG   PRO  10          2HG       PRO  10  -7.066  -1.337  -2.440
   77   1HD   PRO  10          1HD       PRO  10  -9.213  -2.777  -3.275
   78   2HD   PRO  10          2HD       PRO  10  -7.543  -3.366  -3.541
   79    H    ARG  11           H        ARG  11  -8.107  -5.599   1.344
   80    HA   ARG  11           HA       ARG  11 -10.569  -4.750   2.599
   81   1HB   ARG  11          1HB       ARG  11  -9.378  -6.967   2.888
   82   2HB   ARG  11          2HB       ARG  11  -8.179  -6.142   3.892
   83   1HG   ARG  11          1HG       ARG  11 -10.012  -5.467   5.462
   84   2HG   ARG  11          2HG       ARG  11 -11.177  -6.331   4.457
   85   1HD   ARG  11          1HD       ARG  11  -8.792  -7.535   5.930
   86   2HD   ARG  11          2HD       ARG  11 -10.461  -7.627   6.466
   87    HE   ARG  11           HE       ARG  11  -9.157  -9.285   4.469
   88   1HH1  ARG  11          1HH2      ARG  11 -12.352  -8.155   5.376
   89   2HH1  ARG  11          2HH2      ARG  11 -13.134  -9.501   4.589
   90   1HH2  ARG  11          2HH1      ARG  11 -10.210 -10.977   3.541
   91   2HH2  ARG  11          1HH1      ARG  11 -11.948 -11.039   3.580
   92    H    ARG  12           H        ARG  12  -7.200  -3.788   3.075
   93    HA   ARG  12           HA       ARG  12  -8.172  -1.259   4.407
   94   1HB   ARG  12          1HB       ARG  12  -5.725  -2.891   5.137
   95   2HB   ARG  12          2HB       ARG  12  -6.068  -1.271   5.750
   96   1HG   ARG  12          1HG       ARG  12  -7.811  -3.743   6.213
   97   2HG   ARG  12          2HG       ARG  12  -6.651  -3.068   7.354
   98   1HD   ARG  12          1HD       ARG  12  -7.916  -0.971   7.489
   99   2HD   ARG  12          2HD       ARG  12  -9.075  -1.549   6.295
  100    HE   ARG  12           HE       ARG  12  -8.811  -2.451   9.108
  101   1HH1  ARG  12          2HH2      ARG  12 -10.587  -2.915   6.087
  102   2HH1  ARG  12          1HH2      ARG  12 -11.949  -3.593   6.943
  103   1HH2  ARG  12          2HH1      ARG  12 -10.543  -3.394  10.060
  104   2HH2  ARG  12          1HH1      ARG  12 -11.905  -3.895   9.100
  105    HA   PRO  13           HA       PRO  13  -6.045  -0.137   0.509
  106   1HB   PRO  13          1HB       PRO  13  -7.199   2.393   0.261
  107   2HB   PRO  13          2HB       PRO  13  -7.855   0.866  -0.393
  108   1HG   PRO  13          1HG       PRO  13  -8.537   2.181   2.260
  109   2HG   PRO  13          2HG       PRO  13  -9.660   1.540   1.009
  110   1HD   PRO  13          1HD       PRO  13  -9.121  -0.030   3.075
  111   2HD   PRO  13          2HD       PRO  13  -8.908  -0.712   1.416
  112    H    VAL  14           H        VAL  14  -4.184   0.485   0.496
  113    HA   VAL  14           HA       VAL  14  -3.050   2.708   2.173
  114    HB   VAL  14           HB       VAL  14  -2.505  -0.233   2.199
  115   1HG1  VAL  14          1HG1      VAL  14  -0.240  -0.046   2.988
  116   2HG1  VAL  14          2HG1      VAL  14  -0.363   0.504   1.332
  117   3HG1  VAL  14          3HG1      VAL  14  -0.226   1.710   2.616
  118   1HG2  VAL  14          1HG2      VAL  14  -2.116   1.980   4.233
  119   2HG2  VAL  14          2HG2      VAL  14  -3.560   0.940   4.101
  120   3HG2  VAL  14          3HG2      VAL  14  -1.989   0.261   4.558
  121    H    LEU  15           H        LEU  15  -1.395   3.842   1.319
  122    HA   LEU  15           HA       LEU  15  -0.477   3.211  -1.457
  123   1HB   LEU  15          1HB       LEU  15  -2.277   4.760  -1.552
  124   2HB   LEU  15          2HB       LEU  15  -1.621   5.786  -0.294
  125    HG   LEU  15           HG       LEU  15  -0.007   5.420  -2.827
  126   1HD1  LEU  15          1HD1      LEU  15  -1.265   7.271  -3.889
  127   2HD1  LEU  15          2HD1      LEU  15  -2.284   5.848  -3.654
  128   3HD1  LEU  15          3HD1      LEU  15  -2.442   7.237  -2.558
  129   1HD2  LEU  15          1HD2      LEU  15   0.620   7.745  -2.427
  130   2HD2  LEU  15          2HD2      LEU  15  -0.577   7.890  -1.123
  131   3HD2  LEU  15          3HD2      LEU  15   0.844   6.862  -0.913
  132    H    SER  16           H        SER  16   1.547   4.178  -2.025
  133    HA   SER  16           HA       SER  16   3.235   5.322   0.136
  134   1HB   SER  16          1HB       SER  16   4.095   3.139   0.028
  135   2HB   SER  16          2HB       SER  16   4.003   3.096  -1.734
  136    HG   SER  16           HG       SER  16   6.107   3.481  -1.091
  137    HA   PRO  17           HA       PRO  17   3.197   8.589  -2.876
  138   1HB   PRO  17          1HB       PRO  17   5.877   9.286  -1.664
  139   2HB   PRO  17          2HB       PRO  17   4.495  10.367  -2.042
  140   1HG   PRO  17          1HG       PRO  17   4.908   9.546   0.497
  141   2HG   PRO  17          2HG       PRO  17   3.247   9.544  -0.182
  142   1HD   PRO  17          1HD       PRO  17   5.145   7.216   0.146
  143   2HD   PRO  17          2HD       PRO  17   3.393   7.322   0.484
  144    H    LYS  18           H        LYS  18   5.691   6.235  -2.869
  145    HA   LYS  18           HA       LYS  18   7.231   7.300  -5.182
  146   1HB   LYS  18          1HB       LYS  18   7.433   4.824  -3.436
  147   2HB   LYS  18          2HB       LYS  18   8.432   5.040  -4.863
  148   1HG   LYS  18          1HG       LYS  18   9.648   6.808  -3.988
  149   2HG   LYS  18          2HG       LYS  18   8.363   7.348  -2.911
  150   1HD   LYS  18          1HD       LYS  18   9.942   4.795  -2.467
  151   2HD   LYS  18          2HD       LYS  18  10.352   6.357  -1.734
  152   1HE   LYS  18          1HE       LYS  18   8.207   6.482  -0.593
  153   2HE   LYS  18          2HE       LYS  18   7.635   5.029  -1.426
  154   1HZ   LYS  18          1HZ       LYS  18   9.391   3.777  -0.342
  155   2HZ   LYS  18          2HZ       LYS  18   9.834   5.116   0.549
  156   3HZ   LYS  18          3HZ       LYS  18   8.359   4.429   0.742
  157    H    SER  19           H        SER  19   5.097   4.515  -4.493
  158    HA   SER  19           HA       SER  19   4.918   3.702  -7.289
  159   1HB   SER  19          1HB       SER  19   3.448   2.005  -6.438
  160   2HB   SER  19          2HB       SER  19   4.834   2.145  -5.333
  161    HG   SER  19           HG       SER  19   2.295   2.261  -4.734
  162    H    ARG  20           H        ARG  20   2.985   5.500  -4.991
  163    HA   ARG  20           HA       ARG  20   1.004   6.493  -4.908
  164   1HB   ARG  20          1HB       ARG  20   0.366   8.110  -6.490
  165   2HB   ARG  20          2HB       ARG  20   2.103   8.162  -6.272
  166   1HG   ARG  20          1HG       ARG  20   2.501   7.124  -8.418
  167   2HG   ARG  20          2HG       ARG  20   0.780   6.766  -8.649
  168   1HD   ARG  20          1HD       ARG  20   1.965   9.562  -8.419
  169   2HD   ARG  20          2HD       ARG  20   1.638   8.728  -9.946
  170    HE   ARG  20           HE       ARG  20  -0.781   8.671  -8.515
  171   1HH1  ARG  20          2HH2      ARG  20   1.219  11.184  -9.905
  172   2HH1  ARG  20          1HH2      ARG  20  -0.140  12.251 -10.149
  173   1HH2  ARG  20          2HH1      ARG  20  -2.460  10.069  -8.840
  174   2HH2  ARG  20          1HH1      ARG  20  -2.159  11.627  -9.556
  175    H    THR  21           H        THR  21   1.110   3.669  -6.084
  176    HA   THR  21           HA       THR  21  -1.533   3.207  -7.216
  177    HB   THR  21           HB       THR  21  -0.842   0.841  -6.821
  178    HG1  THR  21           1HG      THR  21   1.184   0.430  -6.029
  179   1HG2  THR  21          1HG2      THR  21   1.478   2.350  -8.072
  180   2HG2  THR  21          2HG2      THR  21   0.965   0.689  -8.397
  181   3HG2  THR  21          3HG2      THR  21  -0.060   2.038  -8.918
  182    H    ILE  22           H        ILE  22  -2.904   1.433  -5.910
  183    HA   ILE  22           HA       ILE  22  -2.758   1.957  -2.981
  184    HB   ILE  22           HB       ILE  22  -5.296   1.651  -4.566
  185   1HG1  ILE  22          1HG1      ILE  22  -4.247   4.084  -3.042
  186   2HG1  ILE  22          2HG1      ILE  22  -4.238   3.921  -4.796
  187   1HG2  ILE  22          1HG2      ILE  22  -6.427   1.984  -2.387
  188   2HG2  ILE  22          2HG2      ILE  22  -5.385   0.576  -2.316
  189   3HG2  ILE  22          3HG2      ILE  22  -4.847   2.098  -1.579
  190   1HD1  ILE  22          1HD1      ILE  22  -6.100   5.289  -4.210
  191   2HD1  ILE  22          2HD1      ILE  22  -6.718   3.737  -4.806
  192   3HD1  ILE  22          3HD1      ILE  22  -6.719   4.095  -3.060
  193    H    PHE  23           H        PHE  23  -2.199   0.250  -2.041
  194    HA   PHE  23           HA       PHE  23  -3.087  -2.458  -2.899
  195   1HB   PHE  23          1HB       PHE  23  -0.876  -3.097  -1.487
  196   2HB   PHE  23          2HB       PHE  23  -0.897  -2.956  -3.232
  197    HD1  PHE  23           1HD      PHE  23   0.806  -1.716  -4.188
  198    HD2  PHE  23           2HD      PHE  23  -0.357  -0.969  -0.199
  199    HE1  PHE  23           1HE      PHE  23   2.490   0.101  -4.112
  200    HE2  PHE  23           2HE      PHE  23   1.264   1.036  -0.106
  201    HZ   PHE  23           HZ       PHE  23   2.686   1.501  -2.076
  202    H    GLU  24           H        GLU  24  -2.784  -4.028  -1.057
  203    HA   GLU  24           HA       GLU  24  -4.566  -2.982   0.959
  204   1HB   GLU  24          1HB       GLU  24  -4.478  -5.409   0.093
  205   2HB   GLU  24          2HB       GLU  24  -3.225  -5.600   1.355
  206   1HG   GLU  24          1HG       GLU  24  -4.771  -5.026   3.096
  207   2HG   GLU  24          2HG       GLU  24  -5.984  -4.510   1.919
  208    H    LYS  25           H        LYS  25  -3.946  -2.592   3.290
  209    HA   LYS  25           HA       LYS  25  -1.322  -1.866   4.056
  210   1HB   LYS  25          1HB       LYS  25  -3.468  -1.372   5.334
  211   2HB   LYS  25          2HB       LYS  25  -3.500  -3.065   5.830
  212   1HG   LYS  25          1HG       LYS  25  -1.156  -2.692   6.850
  213   2HG   LYS  25          2HG       LYS  25  -1.383  -0.982   6.500
  214   1HD   LYS  25          1HD       LYS  25  -2.052  -1.196   8.755
  215   2HD   LYS  25          2HD       LYS  25  -3.567  -1.146   7.860
  216   1HE   LYS  25          1HE       LYS  25  -3.922  -2.904   9.349
  217   2HE   LYS  25          2HE       LYS  25  -3.449  -3.760   7.884
  218   1HZ   LYS  25          1HZ       LYS  25  -1.168  -3.957   8.860
  219   2HZ   LYS  25          2HZ       LYS  25  -1.658  -3.138  10.183
  220   3HZ   LYS  25          3HZ       LYS  25  -2.282  -4.604   9.849
  221    H    SER  26           H        SER  26  -3.114  -4.910   4.496
  222    HA   SER  26           HA       SER  26  -0.999  -6.197   5.813
  223   1HB   SER  26          1HB       SER  26  -3.333  -7.514   4.399
  224   2HB   SER  26          2HB       SER  26  -2.322  -8.247   5.656
  225    HG   SER  26           HG       SER  26  -4.267  -7.355   6.514
  226    H    LEU  27           H        LEU  27  -1.762  -6.112   2.351
  227    HA   LEU  27           HA       LEU  27   0.116  -8.207   1.600
  228   1HB   LEU  27          1HB       LEU  27  -1.044  -5.961  -0.109
  229   2HB   LEU  27          2HB       LEU  27  -0.143  -7.374  -0.624
  230    HG   LEU  27           HG       LEU  27  -3.010  -7.243   0.186
  231   1HD1  LEU  27          1HD1      LEU  27  -1.537  -8.499  -2.075
  232   2HD1  LEU  27          2HD1      LEU  27  -3.314  -8.370  -1.889
  233   3HD1  LEU  27          3HD1      LEU  27  -2.321  -6.905  -2.090
  234   1HD2  LEU  27          1HD2      LEU  27  -1.403  -9.790   0.169
  235   2HD2  LEU  27          2HD2      LEU  27  -2.268  -9.052   1.553
  236   3HD2  LEU  27          3HD2      LEU  27  -3.187  -9.648   0.178
  237    H    LEU  28           H        LEU  28   0.251  -4.626   1.782
  238    HA   LEU  28           HA       LEU  28   2.935  -4.405   0.724
  239   1HB   LEU  28          1HB       LEU  28   1.376  -2.468   0.830
  240   2HB   LEU  28          2HB       LEU  28   1.478  -2.508   2.592
  241    HG   LEU  28           HG       LEU  28   4.061  -2.220   2.290
  242   1HD1  LEU  28          1HD1      LEU  28   4.252  -2.784  -0.082
  243   2HD1  LEU  28          2HD1      LEU  28   3.151  -1.458  -0.512
  244   3HD1  LEU  28          3HD1      LEU  28   4.742  -1.111   0.186
  245   1HD2  LEU  28          1HD2      LEU  28   2.701  -0.474   3.155
  246   2HD2  LEU  28          2HD2      LEU  28   3.843   0.213   1.994
  247   3HD2  LEU  28          3HD2      LEU  28   2.144  -0.023   1.539
  248    H    GLU  29           H        GLU  29   1.535  -4.612   4.015
  249    HA   GLU  29           HA       GLU  29   3.836  -4.394   5.611
  250   1HB   GLU  29          1HB       GLU  29   1.523  -4.364   6.393
  251   2HB   GLU  29          2HB       GLU  29   1.385  -6.108   6.106
  252   1HG   GLU  29          1HG       GLU  29   3.174  -6.483   7.792
  253   2HG   GLU  29          2HG       GLU  29   3.275  -4.739   8.061
  254    H    GLN  30           H        GLN  30   2.534  -7.268   3.966
  255    HA   GLN  30           HA       GLN  30   4.483  -9.164   4.924
  256   1HB   GLN  30          1HB       GLN  30   2.269  -9.595   3.689
  257   2HB   GLN  30          2HB       GLN  30   3.123  -9.229   2.196
  258   1HG   GLN  30          1HG       GLN  30   4.756 -11.051   2.678
  259   2HG   GLN  30          2HG       GLN  30   3.912 -11.403   4.187
  260   1HE2  GLN  30          1HE2      GLN  30   3.693 -11.629   0.624
  261   2HE2  GLN  30          2HE2      GLN  30   2.325 -12.736   0.654
  262    H    TYR  31           H        TYR  31   4.413  -7.089   2.013
  263    HA   TYR  31           HA       TYR  31   6.850  -8.168   0.868
  264   1HB   TYR  31          1HB       TYR  31   4.960  -7.154  -0.395
  265   2HB   TYR  31          2HB       TYR  31   5.341  -5.588   0.300
  266    HD1  TYR  31           1HD      TYR  31   7.162  -8.374  -1.458
  267    HD2  TYR  31           2HD      TYR  31   6.520  -4.143  -1.111
  268    HE1  TYR  31           1HE      TYR  31   8.614  -7.966  -3.491
  269    HE2  TYR  31           2HE      TYR  31   8.112  -3.769  -3.003
  270    HH   TYR  31           HH       TYR  31   9.607  -6.423  -4.821
  271    H    VAL  32           H        VAL  32   6.087  -5.389   2.849
  272    HA   VAL  32           HA       VAL  32   8.734  -4.321   2.668
  273    HB   VAL  32           HB       VAL  32   6.495  -3.091   2.852
  274   1HG1  VAL  32          1HG1      VAL  32   6.943  -3.226   5.863
  275   2HG1  VAL  32          2HG1      VAL  32   5.547  -2.577   4.966
  276   3HG1  VAL  32          3HG1      VAL  32   5.859  -4.315   4.998
  277   1HG2  VAL  32          1HG2      VAL  32   7.372  -1.157   4.152
  278   2HG2  VAL  32          2HG2      VAL  32   8.788  -2.108   4.608
  279   3HG2  VAL  32          3HG2      VAL  32   8.457  -1.726   2.891
  280    H    LYS  33           H        LYS  33   7.311  -6.546   4.779
  281    HA   LYS  33           HA       LYS  33   9.634  -6.412   6.680
  282   1HB   LYS  33          1HB       LYS  33   8.541  -7.721   8.199
  283   2HB   LYS  33          2HB       LYS  33   7.273  -6.679   7.561
  284   1HG   LYS  33          1HG       LYS  33   6.648  -8.639   6.017
  285   2HG   LYS  33          2HG       LYS  33   7.754  -9.635   6.952
  286   1HD   LYS  33          1HD       LYS  33   5.338  -8.129   8.052
  287   2HD   LYS  33          2HD       LYS  33   5.386  -9.852   7.665
  288   1HE   LYS  33          1HE       LYS  33   7.189 -10.181   9.351
  289   2HE   LYS  33          2HE       LYS  33   7.119  -8.462   9.757
  290   1HZ   LYS  33          1HZ       LYS  33   5.800  -9.779  11.300
  291   2HZ   LYS  33          2HZ       LYS  33   4.811  -8.782  10.467
  292   3HZ   LYS  33          3HZ       LYS  33   4.874 -10.376  10.096
  293    H    ASP  34           H        ASP  34   8.722  -7.946   3.842
  294    HA   ASP  34           HA       ASP  34  10.527 -10.257   3.968
  295   1HB   ASP  34          1HB       ASP  34   8.599  -9.112   2.086
  296   2HB   ASP  34          2HB       ASP  34  10.081  -9.427   1.256
  297    H    THR  35           H        THR  35  10.580  -7.164   2.191
  298    HA   THR  35           HA       THR  35  13.600  -7.151   2.199
  299    HB   THR  35           HB       THR  35  13.555  -6.240  -0.071
  300    HG1  THR  35           1HG      THR  35  10.819  -6.952  -0.126
  301   1HG2  THR  35          1HG2      THR  35  12.053  -8.886   0.018
  302   2HG2  THR  35          2HG2      THR  35  12.987  -8.226  -1.341
  303   3HG2  THR  35          3HG2      THR  35  13.814  -8.688   0.160
  304    H    GLY  36           H        GLY  36  10.619  -5.386   2.480
  305   1HA   GLY  36          1HA       GLY  36  10.340  -3.244   3.400
  306   2HA   GLY  36          2HA       GLY  36  12.033  -2.877   3.168
  307    H    ASN  37           H        ASN  37  11.342  -4.177   0.250
  308    HA   ASN  37           HA       ASN  37  11.573  -1.667  -1.016
  309   1HB   ASN  37          1HB       ASN  37  10.753  -4.415  -2.028
  310   2HB   ASN  37          2HB       ASN  37  11.088  -3.066  -3.089
  311   1HD2  ASN  37          1HD2      ASN  37  12.533  -5.367  -3.416
  312   2HD2  ASN  37          2HD2      ASN  37  14.185  -5.050  -2.904
  313    H    ASP  38           H        ASP  38  10.232  -0.416  -2.294
  314    HA   ASP  38           HA       ASP  38   7.319  -0.537  -2.001
  315   1HB   ASP  38          1HB       ASP  38   9.192   1.146  -3.717
  316   2HB   ASP  38          2HB       ASP  38   7.435   1.262  -3.813
  317    HA   PRO  39           HA       PRO  39   7.032  -3.779  -5.027
  318   1HB   PRO  39          1HB       PRO  39   4.372  -3.763  -5.682
  319   2HB   PRO  39          2HB       PRO  39   5.006  -4.245  -4.079
  320   1HG   PRO  39          1HG       PRO  39   3.978  -1.516  -4.915
  321   2HG   PRO  39          2HG       PRO  39   3.461  -2.493  -3.504
  322   1HD   PRO  39          1HD       PRO  39   5.293  -0.552  -3.210
  323   2HD   PRO  39          2HD       PRO  39   5.528  -2.127  -2.383
  324    H    ILE  40           H        ILE  40   6.944  -0.628  -6.121
  325    HA   ILE  40           HA       ILE  40   6.525  -1.393  -9.010
  326    HB   ILE  40           HB       ILE  40   5.857   1.219  -7.621
  327   1HG1  ILE  40          1HG1      ILE  40   4.119  -0.413  -7.202
  328   2HG1  ILE  40          2HG1      ILE  40   3.545   0.802  -8.332
  329   1HG2  ILE  40          1HG2      ILE  40   4.944   1.943  -9.847
  330   2HG2  ILE  40          2HG2      ILE  40   6.702   1.819  -9.792
  331   3HG2  ILE  40          3HG2      ILE  40   5.757   0.546 -10.586
  332   1HD1  ILE  40          1HD1      ILE  40   4.357  -2.046  -9.019
  333   2HD1  ILE  40          2HD1      ILE  40   2.731  -1.345  -9.032
  334   3HD1  ILE  40          3HD1      ILE  40   3.913  -0.810 -10.224
  335    H    THR  41           H        THR  41   8.374   0.638  -6.770
  336    HA   THR  41           HA       THR  41  10.380   1.234  -8.889
  337    HB   THR  41           HB       THR  41  11.214   2.973  -7.269
  338    HG1  THR  41           1HG      THR  41   8.653   2.503  -6.235
  339   1HG2  THR  41          1HG2      THR  41   9.445   4.575  -7.819
  340   2HG2  THR  41          2HG2      THR  41   9.829   3.569  -9.228
  341   3HG2  THR  41          3HG2      THR  41   8.351   3.255  -8.294
  342    H    ASN  42           H        ASN  42   9.980  -0.838  -6.259
  343    HA   ASN  42           HA       ASN  42  11.143  -1.893  -4.787
  344   1HB   ASN  42          1HB       ASN  42  12.455  -3.466  -5.532
  345   2HB   ASN  42          2HB       ASN  42  11.921  -2.880  -7.095
  346   1HD2  ASN  42          1HD2      ASN  42  13.689  -0.634  -7.448
  347   2HD2  ASN  42          2HD2      ASN  42  15.317  -1.308  -7.532
  348    H    GLU  43           H        GLU  43  11.462   0.988  -4.637
  349    HA   GLU  43           HA       GLU  43  14.090   1.602  -3.612
  350   1HB   GLU  43          1HB       GLU  43  11.347   2.841  -3.238
  351   2HB   GLU  43          2HB       GLU  43  12.822   3.553  -2.581
  352   1HG   GLU  43          1HG       GLU  43  12.903   2.860  -5.507
  353   2HG   GLU  43          2HG       GLU  43  11.748   4.076  -5.041
  354    HA   PRO  44           HA       PRO  44  13.628  -0.769   0.105
  355   1HB   PRO  44          1HB       PRO  44  15.729   0.119   1.629
  356   2HB   PRO  44          2HB       PRO  44  15.914  -0.895   0.168
  357   1HG   PRO  44          1HG       PRO  44  16.169   2.120   0.378
  358   2HG   PRO  44          2HG       PRO  44  17.282   0.966  -0.423
  359   1HD   PRO  44          1HD       PRO  44  15.398   2.361  -1.816
  360   2HD   PRO  44          2HD       PRO  44  15.807   0.670  -2.242
  361    H    LEU  45           H        LEU  45  12.204  -0.608   1.607
  362    HA   LEU  45           HA       LEU  45  10.970  -0.091   3.374
  363   1HB   LEU  45          1HB       LEU  45  12.755   2.291   3.831
  364   2HB   LEU  45          2HB       LEU  45  11.316   1.980   4.783
  365    HG   LEU  45           HG       LEU  45  13.410  -0.198   4.436
  366   1HD1  LEU  45          1HD1      LEU  45  14.586   1.786   5.306
  367   2HD1  LEU  45          2HD1      LEU  45  13.358   1.975   6.576
  368   3HD1  LEU  45          3HD1      LEU  45  14.419   0.546   6.561
  369   1HD2  LEU  45          1HD2      LEU  45  11.374   0.387   6.634
  370   2HD2  LEU  45          2HD2      LEU  45  11.241  -0.888   5.399
  371   3HD2  LEU  45          3HD2      LEU  45  12.525  -0.965   6.607
  372    H    SER  46           H        SER  46   9.052   0.808   3.724
  373    HA   SER  46           HA       SER  46   7.877   2.537   1.630
  374   1HB   SER  46          1HB       SER  46   7.830   0.064   1.001
  375   2HB   SER  46          2HB       SER  46   6.632  -0.123   2.275
  376    HG   SER  46           HG       SER  46   6.486   1.515  -0.047
  377    H    ILE  47           H        ILE  47   7.034   0.452   4.329
  378    HA   ILE  47           HA       ILE  47   4.998   1.842   5.489
  379    HB   ILE  47           HB       ILE  47   5.786  -0.490   5.994
  380   1HG1  ILE  47          1HG1      ILE  47   5.300  -0.589   8.412
  381   2HG1  ILE  47          2HG1      ILE  47   5.355   1.174   8.504
  382   1HG2  ILE  47          1HG2      ILE  47   7.838   0.765   7.859
  383   2HG2  ILE  47          2HG2      ILE  47   7.537  -0.957   7.586
  384   3HG2  ILE  47          3HG2      ILE  47   8.223   0.021   6.291
  385   1HD1  ILE  47          1HD1      ILE  47   3.456   1.334   6.977
  386   2HD1  ILE  47          2HD1      ILE  47   3.486  -0.419   6.689
  387   3HD1  ILE  47          3HD1      ILE  47   3.035   0.220   8.289
  388    H    GLU  48           H        GLU  48   8.306   2.615   5.882
  389    HA   GLU  48           HA       GLU  48   8.056   4.536   8.047
  390   1HB   GLU  48          1HB       GLU  48  10.153   4.120   5.875
  391   2HB   GLU  48          2HB       GLU  48  10.315   5.301   7.173
  392   1HG   GLU  48          1HG       GLU  48  10.040   2.295   7.601
  393   2HG   GLU  48          2HG       GLU  48  11.555   3.182   7.573
  394    H    GLU  49           H        GLU  49   6.936   4.507   4.887
  395    HA   GLU  49           HA       GLU  49   6.661   7.487   4.766
  396   1HB   GLU  49          1HB       GLU  49   7.667   5.628   2.567
  397   2HB   GLU  49          2HB       GLU  49   7.127   7.294   2.276
  398   1HG   GLU  49          1HG       GLU  49   8.844   8.091   3.936
  399   2HG   GLU  49          2HG       GLU  49   9.463   6.436   4.030
  400    H    ILE  50           H        ILE  50   4.971   4.877   5.210
  401    HA   ILE  50           HA       ILE  50   3.084   4.660   3.196
  402    HB   ILE  50           HB       ILE  50   3.493   3.132   5.096
  403   1HG1  ILE  50          1HG1      ILE  50   0.524   3.670   4.836
  404   2HG1  ILE  50          2HG1      ILE  50   1.501   3.035   3.504
  405   1HG2  ILE  50          1HG2      ILE  50   3.302   4.869   6.943
  406   2HG2  ILE  50          2HG2      ILE  50   1.548   4.855   6.699
  407   3HG2  ILE  50          3HG2      ILE  50   2.386   3.394   7.243
  408   1HD1  ILE  50          1HD1      ILE  50   1.268   1.699   6.228
  409   2HD1  ILE  50          2HD1      ILE  50   0.392   1.234   4.782
  410   3HD1  ILE  50          3HD1      ILE  50   2.160   1.099   4.798
  411    H    VAL  51           H        VAL  51   1.169   5.264   2.797
  412    HA   VAL  51           HA       VAL  51  -0.248   7.487   4.240
  413    HB   VAL  51           HB       VAL  51  -0.244   7.021   1.241
  414   1HG1  VAL  51          1HG1      VAL  51  -1.568   9.120   1.146
  415   2HG1  VAL  51          2HG1      VAL  51  -2.441   7.849   2.001
  416   3HG1  VAL  51          3HG1      VAL  51  -1.645   9.145   2.924
  417   1HG2  VAL  51          1HG2      VAL  51   0.895   9.326   2.876
  418   2HG2  VAL  51          2HG2      VAL  51   1.841   8.111   1.998
  419   3HG2  VAL  51          3HG2      VAL  51   0.823   9.241   1.100
  420    H    GLU  52           H        GLU  52  -1.465   6.080   5.513
  421    HA   GLU  52           HA       GLU  52  -2.993   3.884   4.295
  422   1HB   GLU  52          1HB       GLU  52  -3.367   5.035   7.079
  423   2HB   GLU  52          2HB       GLU  52  -3.870   3.453   6.464
  424   1HG   GLU  52          1HG       GLU  52  -1.500   2.760   6.278
  425   2HG   GLU  52          2HG       GLU  52  -0.981   4.338   6.877
  426    H    ILE  53           H        ILE  53  -4.990   3.977   3.444
  427    HA   ILE  53           HA       ILE  53  -6.439   6.582   3.445
  428    HB   ILE  53           HB       ILE  53  -6.620   4.171   1.606
  429   1HG1  ILE  53          1HG1      ILE  53  -5.487   6.944   1.011
  430   2HG1  ILE  53          2HG1      ILE  53  -4.483   5.563   1.449
  431   1HG2  ILE  53          1HG2      ILE  53  -8.018   5.632   0.149
  432   2HG2  ILE  53          2HG2      ILE  53  -8.787   5.293   1.678
  433   3HG2  ILE  53          3HG2      ILE  53  -8.013   6.876   1.416
  434   1HD1  ILE  53          1HD1      ILE  53  -5.316   4.307  -0.518
  435   2HD1  ILE  53          2HD1      ILE  53  -6.172   5.774  -1.061
  436   3HD1  ILE  53          3HD1      ILE  53  -4.411   5.782  -0.914
  437    H    VAL  54           H        VAL  54  -8.649   6.668   3.909
  438    HA   VAL  54           HA       VAL  54  -9.650   5.079   6.046
  439    HB   VAL  54           HB       VAL  54 -11.204   6.895   4.170
  440   1HG1  VAL  54          1HG1      VAL  54 -11.852   5.838   6.972
  441   2HG1  VAL  54          2HG1      VAL  54 -12.775   7.080   6.097
  442   3HG1  VAL  54          3HG1      VAL  54 -12.717   5.436   5.471
  443   1HG2  VAL  54          1HG2      VAL  54  -9.378   8.117   5.289
  444   2HG2  VAL  54          2HG2      VAL  54 -10.930   8.567   5.992
  445   3HG2  VAL  54          3HG2      VAL  54  -9.865   7.445   6.862
  446    HA   PRO  55           HA       PRO  55 -10.699   1.498   3.524
  447   1HB   PRO  55          1HB       PRO  55 -12.281   0.729   5.979
  448   2HB   PRO  55          2HB       PRO  55 -11.181  -0.278   4.979
  449   1HG   PRO  55          1HG       PRO  55 -10.310   0.737   7.327
  450   2HG   PRO  55          2HG       PRO  55  -9.253   0.824   5.878
  451   1HD   PRO  55          1HD       PRO  55 -11.006   3.001   7.046
  452   2HD   PRO  55          2HD       PRO  55  -9.309   3.073   6.489
  453    H    SER  56           H        SER  56 -13.230   3.421   5.036
  454    HA   SER  56           HA       SER  56 -15.585   2.326   4.026
  455   1HB   SER  56          1HB       SER  56 -14.951   5.288   4.316
  456   2HB   SER  56          2HB       SER  56 -16.559   4.542   4.329
  457    HG   SER  56           HG       SER  56 -15.985   3.450   6.248
  Start of MODEL    7
    1    H    MET   1           H        MET   1  -7.129   1.828  -9.363
    2    HA   MET   1           HA       MET   1  -6.846   1.736  -6.991
    3   1HB   MET   1          1HB       MET   1  -9.059   1.554  -6.087
    4   2HB   MET   1          2HB       MET   1  -9.176   2.276  -7.690
    5   1HG   MET   1          1HG       MET   1  -9.842   0.063  -8.626
    6   2HG   MET   1          2HG       MET   1  -9.704  -0.654  -7.018
    7   1HE   MET   1          1HE       MET   1 -12.206  -1.229  -8.588
    8   2HE   MET   1          2HE       MET   1 -12.020  -1.691  -6.878
    9   3HE   MET   1          3HE       MET   1 -13.504  -0.874  -7.424
   10    H    LEU   2           H        LEU   2  -6.525  -1.157  -8.442
   11    HA   LEU   2           HA       LEU   2  -6.819  -2.850  -5.995
   12   1HB   LEU   2          1HB       LEU   2  -6.368  -3.703  -8.881
   13   2HB   LEU   2          2HB       LEU   2  -6.736  -4.762  -7.523
   14    HG   LEU   2           HG       LEU   2  -8.631  -2.672  -8.696
   15   1HD1  LEU   2          1HD1      LEU   2  -8.251  -4.605 -10.183
   16   2HD1  LEU   2          2HD1      LEU   2  -8.668  -5.708  -8.849
   17   3HD1  LEU   2          3HD1      LEU   2  -9.893  -4.603  -9.517
   18   1HD2  LEU   2          1HD2      LEU   2  -9.082  -3.042  -6.287
   19   2HD2  LEU   2          2HD2      LEU   2 -10.360  -3.729  -7.296
   20   3HD2  LEU   2          3HD2      LEU   2  -9.136  -4.797  -6.577
   21    H    CYS   3           H        CYS   3  -5.260  -4.189  -5.192
   22    HA   CYS   3           HA       CYS   3  -2.956  -2.894  -4.828
   23   1HB   CYS   3          1HB       CYS   3  -3.235  -5.871  -4.270
   24   2HB   CYS   3          2HB       CYS   3  -2.441  -4.669  -3.344
   25    HG   CYS   3           HG       CYS   3  -4.724  -6.029  -2.610
   26    H    ALA   4           H        ALA   4  -0.879  -2.880  -5.269
   27    HA   ALA   4           HA       ALA   4  -0.014  -3.824  -7.867
   28   1HB   ALA   4          1HB       ALA   4   0.896  -1.841  -6.779
   29   2HB   ALA   4          2HB       ALA   4   1.811  -2.907  -5.664
   30   3HB   ALA   4          3HB       ALA   4   2.116  -2.959  -7.398
   31    H    ILE   5           H        ILE   5  -0.010  -5.213  -4.664
   32    HA   ILE   5           HA       ILE   5   2.170  -7.118  -5.181
   33    HB   ILE   5           HB       ILE   5   0.551  -6.325  -2.729
   34   1HG1  ILE   5          1HG1      ILE   5   3.507  -5.954  -3.422
   35   2HG1  ILE   5          2HG1      ILE   5   2.275  -4.729  -3.715
   36   1HG2  ILE   5          1HG2      ILE   5   1.235  -8.743  -2.521
   37   2HG2  ILE   5          2HG2      ILE   5   2.882  -8.336  -3.042
   38   3HG2  ILE   5          3HG2      ILE   5   2.277  -7.768  -1.482
   39   1HD1  ILE   5          1HD1      ILE   5   3.411  -4.169  -1.690
   40   2HD1  ILE   5          2HD1      ILE   5   1.752  -4.657  -1.288
   41   3HD1  ILE   5          3HD1      ILE   5   3.117  -5.767  -1.001
   42    H    SER   6           H        SER   6  -1.283  -7.318  -4.342
   43    HA   SER   6           HA       SER   6  -1.305 -10.134  -5.359
   44   1HB   SER   6          1HB       SER   6  -1.494  -9.885  -2.855
   45   2HB   SER   6          2HB       SER   6  -3.122  -9.235  -3.148
   46    HG   SER   6           HG       SER   6  -3.071 -11.526  -2.781
   47    H    GLY   7           H        GLY   7  -2.814  -7.028  -5.674
   48   1HA   GLY   7          1HA       GLY   7  -4.243  -6.352  -7.403
   49   2HA   GLY   7          2HA       GLY   7  -4.218  -8.019  -7.952
   50    H    LYS   8           H        LYS   8  -5.056  -7.661  -4.794
   51    HA   LYS   8           HA       LYS   8  -7.784  -8.686  -4.974
   52   1HB   LYS   8          1HB       LYS   8  -6.112  -9.407  -3.352
   53   2HB   LYS   8          2HB       LYS   8  -5.859  -7.757  -2.794
   54   1HG   LYS   8          1HG       LYS   8  -8.103  -7.757  -1.767
   55   2HG   LYS   8          2HG       LYS   8  -8.425  -9.384  -2.422
   56   1HD   LYS   8          1HD       LYS   8  -6.523 -10.273  -1.106
   57   2HD   LYS   8          2HD       LYS   8  -6.161  -8.634  -0.518
   58   1HE   LYS   8          1HE       LYS   8  -8.476  -8.538   0.467
   59   2HE   LYS   8          2HE       LYS   8  -8.711 -10.232   0.012
   60   1HZ   LYS   8          1HZ       LYS   8  -7.944 -10.027   2.314
   61   2HZ   LYS   8          2HZ       LYS   8  -6.766 -10.757   1.441
   62   3HZ   LYS   8          3HZ       LYS   8  -6.628  -9.171   1.852
   63    H    VAL   9           H        VAL   9  -9.590  -7.639  -3.856
   64    HA   VAL   9           HA       VAL   9  -9.850  -4.721  -4.299
   65    HB   VAL   9           HB       VAL   9 -11.785  -6.688  -3.009
   66   1HG1  VAL   9          1HG1      VAL   9 -12.174  -4.377  -2.208
   67   2HG1  VAL   9          2HG1      VAL   9 -12.160  -3.782  -3.884
   68   3HG1  VAL   9          3HG1      VAL   9 -13.446  -4.872  -3.324
   69   1HG2  VAL   9          1HG2      VAL   9 -11.464  -7.136  -5.421
   70   2HG2  VAL   9          2HG2      VAL   9 -13.054  -6.431  -5.117
   71   3HG2  VAL   9          3HG2      VAL   9 -11.758  -5.425  -5.790
   72    HA   PRO  10           HA       PRO  10  -7.520  -4.646  -0.515
   73   1HB   PRO  10          1HB       PRO  10  -7.253  -1.936  -0.059
   74   2HB   PRO  10          2HB       PRO  10  -6.320  -2.856  -1.271
   75   1HG   PRO  10          1HG       PRO  10  -8.844  -1.246  -1.714
   76   2HG   PRO  10          2HG       PRO  10  -7.324  -1.223  -2.671
   77   1HD   PRO  10          1HD       PRO  10  -9.469  -2.685  -3.461
   78   2HD   PRO  10          2HD       PRO  10  -7.806  -3.311  -3.653
   79    H    ARG  11           H        ARG  11  -8.312  -5.297   1.325
   80    HA   ARG  11           HA       ARG  11 -10.706  -4.192   2.607
   81   1HB   ARG  11          1HB       ARG  11  -8.548  -5.996   3.791
   82   2HB   ARG  11          2HB       ARG  11 -10.146  -5.683   4.458
   83   1HG   ARG  11          1HG       ARG  11  -9.489  -7.238   1.924
   84   2HG   ARG  11          2HG       ARG  11 -10.166  -7.845   3.435
   85   1HD   ARG  11          1HD       ARG  11 -12.181  -6.342   2.988
   86   2HD   ARG  11          2HD       ARG  11 -11.531  -6.070   1.369
   87    HE   ARG  11           HE       ARG  11 -12.775  -8.508   2.437
   88   1HH1  ARG  11          2HH2      ARG  11 -10.832  -7.344  -0.301
   89   2HH1  ARG  11          1HH2      ARG  11 -11.240  -8.773  -1.212
   90   1HH2  ARG  11          2HH1      ARG  11 -13.207 -10.217   1.170
   91   2HH2  ARG  11          1HH1      ARG  11 -12.525 -10.326  -0.426
   92    H    ARG  12           H        ARG  12  -7.213  -3.715   3.036
   93    HA   ARG  12           HA       ARG  12  -7.844  -1.160   4.525
   94   1HB   ARG  12          1HB       ARG  12  -5.493  -3.037   4.826
   95   2HB   ARG  12          2HB       ARG  12  -5.538  -1.409   5.496
   96   1HG   ARG  12          1HG       ARG  12  -7.541  -3.586   6.216
   97   2HG   ARG  12          2HG       ARG  12  -6.044  -3.310   7.095
   98   1HD   ARG  12          1HD       ARG  12  -8.257  -1.245   6.782
   99   2HD   ARG  12          2HD       ARG  12  -8.018  -2.302   8.175
  100    HE   ARG  12           HE       ARG  12  -5.686  -0.626   7.478
  101   1HH1  ARG  12          2HH2      ARG  12  -8.497  -0.840   9.553
  102   2HH1  ARG  12          1HH2      ARG  12  -7.916   0.431  10.594
  103   1HH2  ARG  12          2HH1      ARG  12  -5.057   1.088   8.791
  104   2HH2  ARG  12          1HH1      ARG  12  -6.046   1.440  10.176
  105    HA   PRO  13           HA       PRO  13  -6.022  -0.076   0.397
  106   1HB   PRO  13          1HB       PRO  13  -7.277   2.411   0.183
  107   2HB   PRO  13          2HB       PRO  13  -7.902   0.854  -0.436
  108   1HG   PRO  13          1HG       PRO  13  -8.520   2.189   2.214
  109   2HG   PRO  13          2HG       PRO  13  -9.670   1.477   1.036
  110   1HD   PRO  13          1HD       PRO  13  -8.974  -0.013   3.124
  111   2HD   PRO  13          2HD       PRO  13  -8.841  -0.734   1.477
  112    H    VAL  14           H        VAL  14  -4.164   0.499   0.415
  113    HA   VAL  14           HA       VAL  14  -2.995   2.725   2.057
  114    HB   VAL  14           HB       VAL  14  -2.414  -0.243   2.002
  115   1HG1  VAL  14          1HG1      VAL  14  -0.253   0.068   3.080
  116   2HG1  VAL  14          2HG1      VAL  14  -0.233   0.654   1.426
  117   3HG1  VAL  14          3HG1      VAL  14  -0.332   1.827   2.750
  118   1HG2  VAL  14          1HG2      VAL  14  -2.124   0.189   4.435
  119   2HG2  VAL  14          2HG2      VAL  14  -2.403   1.895   4.163
  120   3HG2  VAL  14          3HG2      VAL  14  -3.714   0.726   3.868
  121    H    LEU  15           H        LEU  15  -1.363   3.822   1.233
  122    HA   LEU  15           HA       LEU  15  -0.420   3.319  -1.567
  123   1HB   LEU  15          1HB       LEU  15  -2.145   4.910  -1.702
  124   2HB   LEU  15          2HB       LEU  15  -1.782   5.609  -0.143
  125    HG   LEU  15           HG       LEU  15   0.250   6.717  -1.118
  126   1HD1  LEU  15          1HD1      LEU  15   0.465   5.342  -3.219
  127   2HD1  LEU  15          2HD1      LEU  15  -1.072   6.023  -3.775
  128   3HD1  LEU  15          3HD1      LEU  15   0.332   7.084  -3.519
  129   1HD2  LEU  15          1HD2      LEU  15  -1.886   7.875  -0.707
  130   2HD2  LEU  15          2HD2      LEU  15  -1.052   8.514  -2.127
  131   3HD2  LEU  15          3HD2      LEU  15  -2.443   7.431  -2.332
  132    H    SER  16           H        SER  16   1.657   4.326  -2.060
  133    HA   SER  16           HA       SER  16   3.182   5.486   0.192
  134   1HB   SER  16          1HB       SER  16   4.965   4.137   0.093
  135   2HB   SER  16          2HB       SER  16   3.791   2.960  -0.465
  136    HG   SER  16           HG       SER  16   5.740   3.127  -1.729
  137    HA   PRO  17           HA       PRO  17   3.900   8.647  -2.775
  138   1HB   PRO  17          1HB       PRO  17   6.139   9.912  -1.826
  139   2HB   PRO  17          2HB       PRO  17   4.555   9.952  -1.001
  140   1HG   PRO  17          1HG       PRO  17   6.901   8.121  -0.415
  141   2HG   PRO  17          2HG       PRO  17   5.941   9.093   0.740
  142   1HD   PRO  17          1HD       PRO  17   5.433   6.453   0.308
  143   2HD   PRO  17          2HD       PRO  17   4.106   7.624   0.598
  144    H    LYS  18           H        LYS  18   5.940   5.995  -2.633
  145    HA   LYS  18           HA       LYS  18   7.649   6.800  -4.982
  146   1HB   LYS  18          1HB       LYS  18   7.696   4.305  -3.229
  147   2HB   LYS  18          2HB       LYS  18   8.649   4.536  -4.686
  148   1HG   LYS  18          1HG       LYS  18  10.170   4.988  -3.088
  149   2HG   LYS  18          2HG       LYS  18   9.672   6.604  -3.551
  150   1HD   LYS  18          1HD       LYS  18   8.627   7.005  -1.505
  151   2HD   LYS  18          2HD       LYS  18   8.275   5.297  -1.188
  152   1HE   LYS  18          1HE       LYS  18  11.126   6.346  -1.285
  153   2HE   LYS  18          2HE       LYS  18  10.176   6.446   0.197
  154   1HZ   LYS  18          1HZ       LYS  18  10.146   4.139   0.412
  155   2HZ   LYS  18          2HZ       LYS  18  10.309   3.830  -1.145
  156   3HZ   LYS  18          3HZ       LYS  18  11.617   4.322  -0.238
  157    H    SER  19           H        SER  19   5.515   4.159  -3.915
  158    HA   SER  19           HA       SER  19   5.261   2.919  -6.479
  159   1HB   SER  19          1HB       SER  19   3.521   1.578  -5.429
  160   2HB   SER  19          2HB       SER  19   4.895   1.754  -4.326
  161    HG   SER  19           HG       SER  19   3.773   3.209  -3.128
  162    H    ARG  20           H        ARG  20   3.228   5.283  -4.834
  163    HA   ARG  20           HA       ARG  20   1.386   6.513  -5.390
  164   1HB   ARG  20          1HB       ARG  20   2.736   6.364  -8.085
  165   2HB   ARG  20          2HB       ARG  20   1.316   7.362  -7.803
  166   1HG   ARG  20          1HG       ARG  20   2.375   8.797  -6.321
  167   2HG   ARG  20          2HG       ARG  20   3.646   7.649  -5.891
  168   1HD   ARG  20          1HD       ARG  20   3.421   8.869  -8.666
  169   2HD   ARG  20          2HD       ARG  20   4.353   9.601  -7.345
  170    HE   ARG  20           HE       ARG  20   5.240   6.956  -7.452
  171   1HH1  ARG  20          2HH2      ARG  20   5.385   9.629  -9.707
  172   2HH1  ARG  20          1HH2      ARG  20   6.869   9.035 -10.415
  173   1HH2  ARG  20          2HH1      ARG  20   7.035   6.298  -8.304
  174   2HH2  ARG  20          1HH1      ARG  20   7.790   7.148  -9.643
  175    H    THR  21           H        THR  21   1.309   3.446  -6.041
  176    HA   THR  21           HA       THR  21  -1.367   3.183  -7.305
  177    HB   THR  21           HB       THR  21   0.548   1.562  -7.768
  178    HG1  THR  21           1HG      THR  21  -0.781  -0.177  -7.742
  179   1HG2  THR  21          1HG2      THR  21   1.159   1.559  -5.188
  180   2HG2  THR  21          2HG2      THR  21  -0.075   0.299  -5.108
  181   3HG2  THR  21          3HG2      THR  21   1.355   0.115  -6.152
  182    H    ILE  22           H        ILE  22  -2.737   1.363  -5.964
  183    HA   ILE  22           HA       ILE  22  -2.701   2.000  -3.049
  184    HB   ILE  22           HB       ILE  22  -5.207   1.612  -4.674
  185   1HG1  ILE  22          1HG1      ILE  22  -4.196   4.125  -3.269
  186   2HG1  ILE  22          2HG1      ILE  22  -4.214   3.880  -5.012
  187   1HG2  ILE  22          1HG2      ILE  22  -6.392   1.996  -2.538
  188   2HG2  ILE  22          2HG2      ILE  22  -5.317   0.624  -2.388
  189   3HG2  ILE  22          3HG2      ILE  22  -4.835   2.190  -1.696
  190   1HD1  ILE  22          1HD1      ILE  22  -6.670   4.112  -3.245
  191   2HD1  ILE  22          2HD1      ILE  22  -6.088   5.254  -4.463
  192   3HD1  ILE  22          3HD1      ILE  22  -6.696   3.666  -4.971
  193    H    PHE  23           H        PHE  23  -2.135   0.261  -2.090
  194    HA   PHE  23           HA       PHE  23  -3.062  -2.417  -2.972
  195   1HB   PHE  23          1HB       PHE  23  -0.931  -3.169  -1.491
  196   2HB   PHE  23          2HB       PHE  23  -0.890  -2.982  -3.226
  197    HD1  PHE  23           1HD      PHE  23   0.935  -1.899  -4.055
  198    HD2  PHE  23           2HD      PHE  23  -0.406  -0.949  -0.153
  199    HE1  PHE  23           1HE      PHE  23   2.701  -0.205  -3.952
  200    HE2  PHE  23           2HE      PHE  23   1.370   0.911  -0.023
  201    HZ   PHE  23           HZ       PHE  23   2.929   1.213  -1.883
  202    H    GLU  24           H        GLU  24  -2.928  -4.008  -1.194
  203    HA   GLU  24           HA       GLU  24  -4.564  -2.897   0.950
  204   1HB   GLU  24          1HB       GLU  24  -5.539  -4.750   0.131
  205   2HB   GLU  24          2HB       GLU  24  -4.092  -5.690   0.053
  206   1HG   GLU  24          1HG       GLU  24  -4.033  -5.853   2.523
  207   2HG   GLU  24          2HG       GLU  24  -5.444  -4.789   2.636
  208    H    LYS  25           H        LYS  25  -3.837  -2.641   3.122
  209    HA   LYS  25           HA       LYS  25  -1.213  -2.147   3.794
  210   1HB   LYS  25          1HB       LYS  25  -3.300  -1.535   5.076
  211   2HB   LYS  25          2HB       LYS  25  -3.343  -3.176   5.719
  212   1HG   LYS  25          1HG       LYS  25  -1.132  -2.870   6.765
  213   2HG   LYS  25          2HG       LYS  25  -0.987  -1.263   6.024
  214   1HD   LYS  25          1HD       LYS  25  -3.025  -0.547   7.270
  215   2HD   LYS  25          2HD       LYS  25  -3.079  -2.126   8.074
  216   1HE   LYS  25          1HE       LYS  25  -0.861  -1.735   9.068
  217   2HE   LYS  25          2HE       LYS  25  -0.698  -0.219   8.169
  218   1HZ   LYS  25          1HZ       LYS  25  -2.734  -0.735  10.273
  219   2HZ   LYS  25          2HZ       LYS  25  -1.426   0.242  10.417
  220   3HZ   LYS  25          3HZ       LYS  25  -2.624   0.640   9.379
  221    H    SER  26           H        SER  26  -3.085  -5.103   4.217
  222    HA   SER  26           HA       SER  26  -1.210  -6.508   5.718
  223   1HB   SER  26          1HB       SER  26  -3.610  -7.148   5.387
  224   2HB   SER  26          2HB       SER  26  -3.181  -7.786   3.784
  225    HG   SER  26           HG       SER  26  -3.192  -9.399   5.442
  226    H    LEU  27           H        LEU  27  -1.483  -6.246   2.223
  227    HA   LEU  27           HA       LEU  27   0.467  -8.321   1.545
  228   1HB   LEU  27          1HB       LEU  27  -0.314  -6.065  -0.299
  229   2HB   LEU  27          2HB       LEU  27   0.131  -7.726  -0.677
  230    HG   LEU  27           HG       LEU  27  -2.463  -6.834   0.538
  231   1HD1  LEU  27          1HD1      LEU  27  -3.387  -7.393  -1.715
  232   2HD1  LEU  27          2HD1      LEU  27  -2.254  -6.022  -1.672
  233   3HD1  LEU  27          3HD1      LEU  27  -1.698  -7.594  -2.265
  234   1HD2  LEU  27          1HD2      LEU  27  -1.993  -9.136   1.192
  235   2HD2  LEU  27          2HD2      LEU  27  -3.324  -9.066   0.036
  236   3HD2  LEU  27          3HD2      LEU  27  -1.698  -9.577  -0.506
  237    H    LEU  28           H        LEU  28   0.436  -4.787   1.850
  238    HA   LEU  28           HA       LEU  28   3.128  -4.366   0.924
  239   1HB   LEU  28          1HB       LEU  28   1.438  -2.522   1.088
  240   2HB   LEU  28          2HB       LEU  28   1.591  -2.593   2.846
  241    HG   LEU  28           HG       LEU  28   4.127  -2.183   2.528
  242   1HD1  LEU  28          1HD1      LEU  28   4.734  -1.050   0.369
  243   2HD1  LEU  28          2HD1      LEU  28   4.417  -2.768   0.201
  244   3HD1  LEU  28          3HD1      LEU  28   3.187  -1.590  -0.307
  245   1HD2  LEU  28          1HD2      LEU  28   2.687  -0.462   3.352
  246   2HD2  LEU  28          2HD2      LEU  28   3.806   0.250   2.177
  247   3HD2  LEU  28          3HD2      LEU  28   2.123  -0.079   1.722
  248    H    GLU  29           H        GLU  29   1.667  -4.802   4.174
  249    HA   GLU  29           HA       GLU  29   3.959  -4.566   5.791
  250   1HB   GLU  29          1HB       GLU  29   1.554  -4.878   6.562
  251   2HB   GLU  29          2HB       GLU  29   1.769  -6.608   6.251
  252   1HG   GLU  29          1HG       GLU  29   3.940  -6.246   7.797
  253   2HG   GLU  29          2HG       GLU  29   3.042  -4.847   8.351
  254    H    GLN  30           H        GLN  30   2.763  -7.430   4.014
  255    HA   GLN  30           HA       GLN  30   4.840  -9.224   4.875
  256   1HB   GLN  30          1HB       GLN  30   2.739  -9.901   3.699
  257   2HB   GLN  30          2HB       GLN  30   3.369  -9.252   2.204
  258   1HG   GLN  30          1HG       GLN  30   3.681 -11.704   2.352
  259   2HG   GLN  30          2HG       GLN  30   5.204 -10.842   2.164
  260   1HE2  GLN  30          1HE2      GLN  30   6.851 -11.711   3.459
  261   2HE2  GLN  30          2HE2      GLN  30   6.529 -12.462   5.021
  262    H    TYR  31           H        TYR  31   4.630  -7.184   1.970
  263    HA   TYR  31           HA       TYR  31   7.145  -8.094   0.872
  264   1HB   TYR  31          1HB       TYR  31   5.221  -7.152  -0.418
  265   2HB   TYR  31          2HB       TYR  31   5.575  -5.564   0.259
  266    HD1  TYR  31           1HD      TYR  31   7.516  -8.349  -1.378
  267    HD2  TYR  31           2HD      TYR  31   6.705  -4.136  -1.210
  268    HE1  TYR  31           1HE      TYR  31   9.025  -7.964  -3.362
  269    HE2  TYR  31           2HE      TYR  31   8.372  -3.767  -3.041
  270    HH   TYR  31           HH       TYR  31  10.011  -6.443  -4.712
  271    H    VAL  32           H        VAL  32   6.259  -5.404   2.912
  272    HA   VAL  32           HA       VAL  32   8.844  -4.183   2.711
  273    HB   VAL  32           HB       VAL  32   6.512  -3.106   2.911
  274   1HG1  VAL  32          1HG1      VAL  32   7.059  -3.120   5.910
  275   2HG1  VAL  32          2HG1      VAL  32   5.595  -2.595   5.036
  276   3HG1  VAL  32          3HG1      VAL  32   6.013  -4.304   5.125
  277   1HG2  VAL  32          1HG2      VAL  32   8.378  -1.652   2.828
  278   2HG2  VAL  32          2HG2      VAL  32   7.304  -1.099   4.103
  279   3HG2  VAL  32          3HG2      VAL  32   8.799  -1.941   4.544
  280    H    LYS  33           H        LYS  33   7.568  -6.511   4.772
  281    HA   LYS  33           HA       LYS  33   9.880  -6.273   6.684
  282   1HB   LYS  33          1HB       LYS  33   8.828  -7.597   8.233
  283   2HB   LYS  33          2HB       LYS  33   7.553  -6.569   7.596
  284   1HG   LYS  33          1HG       LYS  33   6.921  -8.574   6.082
  285   2HG   LYS  33          2HG       LYS  33   8.029  -9.536   7.066
  286   1HD   LYS  33          1HD       LYS  33   6.738  -8.957   9.101
  287   2HD   LYS  33          2HD       LYS  33   5.666  -7.920   8.141
  288   1HE   LYS  33          1HE       LYS  33   4.973  -9.898   6.796
  289   2HE   LYS  33          2HE       LYS  33   5.987 -10.929   7.815
  290   1HZ   LYS  33          1HZ       LYS  33   3.670 -10.923   8.556
  291   2HZ   LYS  33          2HZ       LYS  33   4.611 -10.265   9.717
  292   3HZ   LYS  33          3HZ       LYS  33   3.674  -9.306   8.778
  293    H    ASP  34           H        ASP  34   9.013  -7.803   3.868
  294    HA   ASP  34           HA       ASP  34  10.855 -10.088   3.945
  295   1HB   ASP  34          1HB       ASP  34   8.876  -8.931   2.100
  296   2HB   ASP  34          2HB       ASP  34  10.343  -9.256   1.258
  297    H    THR  35           H        THR  35  10.792  -6.949   2.240
  298    HA   THR  35           HA       THR  35  13.809  -6.836   2.213
  299    HB   THR  35           HB       THR  35  13.722  -5.917  -0.053
  300    HG1  THR  35           1HG      THR  35  11.005  -6.716  -0.093
  301   1HG2  THR  35          1HG2      THR  35  14.064  -8.359   0.166
  302   2HG2  THR  35          2HG2      THR  35  12.310  -8.614   0.009
  303   3HG2  THR  35          3HG2      THR  35  13.226  -7.913  -1.336
  304    H    GLY  36           H        GLY  36  10.759  -5.159   2.436
  305   1HA   GLY  36          1HA       GLY  36  10.418  -3.040   3.437
  306   2HA   GLY  36          2HA       GLY  36  12.095  -2.615   3.180
  307    H    ASN  37           H        ASN  37  11.456  -3.914   0.287
  308    HA   ASN  37           HA       ASN  37  11.539  -1.398  -1.030
  309   1HB   ASN  37          1HB       ASN  37  10.911  -4.208  -1.996
  310   2HB   ASN  37          2HB       ASN  37  11.173  -2.851  -3.066
  311   1HD2  ASN  37          1HD2      ASN  37  12.747  -5.105  -3.285
  312   2HD2  ASN  37          2HD2      ASN  37  14.381  -4.661  -2.799
  313    H    ASP  38           H        ASP  38  10.146  -0.296  -2.328
  314    HA   ASP  38           HA       ASP  38   7.245  -0.542  -2.073
  315   1HB   ASP  38          1HB       ASP  38   9.091   1.152  -3.808
  316   2HB   ASP  38          2HB       ASP  38   7.329   1.224  -3.914
  317    HA   PRO  39           HA       PRO  39   7.177  -3.918  -4.962
  318   1HB   PRO  39          1HB       PRO  39   4.542  -4.055  -5.698
  319   2HB   PRO  39          2HB       PRO  39   5.160  -4.439  -4.064
  320   1HG   PRO  39          1HG       PRO  39   4.019  -1.798  -5.037
  321   2HG   PRO  39          2HG       PRO  39   3.513  -2.746  -3.599
  322   1HD   PRO  39          1HD       PRO  39   5.246  -0.704  -3.338
  323   2HD   PRO  39          2HD       PRO  39   5.527  -2.231  -2.441
  324    H    ILE  40           H        ILE  40   6.943  -0.826  -6.261
  325    HA   ILE  40           HA       ILE  40   6.724  -1.857  -9.095
  326    HB   ILE  40           HB       ILE  40   5.770   0.769  -7.910
  327   1HG1  ILE  40          1HG1      ILE  40   4.213  -1.313  -9.515
  328   2HG1  ILE  40          2HG1      ILE  40   4.334  -1.389  -7.760
  329   1HG2  ILE  40          1HG2      ILE  40   6.822   1.262 -10.092
  330   2HG2  ILE  40          2HG2      ILE  40   5.905  -0.057 -10.849
  331   3HG2  ILE  40          3HG2      ILE  40   5.080   1.385 -10.228
  332   1HD1  ILE  40          1HD1      ILE  40   2.270  -0.308  -8.351
  333   2HD1  ILE  40          2HD1      ILE  40   3.353   0.845  -7.542
  334   3HD1  ILE  40          3HD1      ILE  40   3.110   0.920  -9.305
  335    H    THR  41           H        THR  41   8.230   0.640  -7.044
  336    HA   THR  41           HA       THR  41  10.314   1.168  -9.078
  337    HB   THR  41           HB       THR  41  11.088   2.931  -7.488
  338    HG1  THR  41           1HG      THR  41   8.600   2.336  -6.351
  339   1HG2  THR  41          1HG2      THR  41   9.219   4.462  -7.937
  340   2HG2  THR  41          2HG2      THR  41   9.603   3.503  -9.374
  341   3HG2  THR  41          3HG2      THR  41   8.174   3.100  -8.398
  342    H    ASN  42           H        ASN  42   9.955  -0.822  -6.333
  343    HA   ASN  42           HA       ASN  42  11.172  -1.787  -4.825
  344   1HB   ASN  42          1HB       ASN  42  12.472  -3.386  -5.522
  345   2HB   ASN  42          2HB       ASN  42  11.927  -2.880  -7.109
  346   1HD2  ASN  42          2HD2      ASN  42  13.651  -0.659  -7.622
  347   2HD2  ASN  42          1HD2      ASN  42  15.291  -1.310  -7.675
  348    H    GLU  43           H        GLU  43  11.364   1.060  -4.816
  349    HA   GLU  43           HA       GLU  43  13.985   1.805  -3.791
  350   1HB   GLU  43          1HB       GLU  43  11.204   2.993  -3.581
  351   2HB   GLU  43          2HB       GLU  43  12.635   3.781  -2.915
  352   1HG   GLU  43          1HG       GLU  43  12.857   2.950  -5.794
  353   2HG   GLU  43          2HG       GLU  43  11.619   4.123  -5.448
  354    HA   PRO  44           HA       PRO  44  13.451  -0.313   0.035
  355   1HB   PRO  44          1HB       PRO  44  15.325   0.856   1.665
  356   2HB   PRO  44          2HB       PRO  44  15.730  -0.203   0.280
  357   1HG   PRO  44          1HG       PRO  44  15.659   2.829   0.346
  358   2HG   PRO  44          2HG       PRO  44  16.949   1.763  -0.299
  359   1HD   PRO  44          1HD       PRO  44  15.068   2.877  -1.925
  360   2HD   PRO  44          2HD       PRO  44  15.669   1.212  -2.209
  361    H    LEU  45           H        LEU  45  12.053  -0.263   1.604
  362    HA   LEU  45           HA       LEU  45  10.836   0.203   3.387
  363   1HB   LEU  45          1HB       LEU  45  12.572   2.634   3.708
  364   2HB   LEU  45          2HB       LEU  45  11.241   2.274   4.801
  365    HG   LEU  45           HG       LEU  45  13.384   0.187   4.225
  366   1HD1  LEU  45          1HD1      LEU  45  14.515   2.211   5.057
  367   2HD1  LEU  45          2HD1      LEU  45  13.382   2.296   6.428
  368   3HD1  LEU  45          3HD1      LEU  45  14.515   0.930   6.281
  369   1HD2  LEU  45          1HD2      LEU  45  11.501   0.613   6.585
  370   2HD2  LEU  45          2HD2      LEU  45  11.326  -0.635   5.333
  371   3HD2  LEU  45          3HD2      LEU  45  12.708  -0.682   6.425
  372    H    SER  46           H        SER  46   8.843   0.696   3.649
  373    HA   SER  46           HA       SER  46   7.540   2.638   1.807
  374   1HB   SER  46          1HB       SER  46   7.603   0.136   1.094
  375   2HB   SER  46          2HB       SER  46   6.326  -0.053   2.284
  376    HG   SER  46           HG       SER  46   6.349   1.561  -0.054
  377    H    ILE  47           H        ILE  47   6.941   0.424   4.475
  378    HA   ILE  47           HA       ILE  47   4.861   1.717   5.716
  379    HB   ILE  47           HB       ILE  47   5.747  -0.592   6.167
  380   1HG1  ILE  47          1HG1      ILE  47   5.318  -0.712   8.601
  381   2HG1  ILE  47          2HG1      ILE  47   5.299   1.054   8.689
  382   1HG2  ILE  47          1HG2      ILE  47   7.548  -1.010   7.715
  383   2HG2  ILE  47          2HG2      ILE  47   8.168   0.003   6.411
  384   3HG2  ILE  47          3HG2      ILE  47   7.793   0.718   7.995
  385   1HD1  ILE  47          1HD1      ILE  47   3.474  -0.621   6.901
  386   2HD1  ILE  47          2HD1      ILE  47   3.019  -0.004   8.513
  387   3HD1  ILE  47          3HD1      ILE  47   3.367   1.125   7.193
  388    H    GLU  48           H        GLU  48   8.176   2.554   5.989
  389    HA   GLU  48           HA       GLU  48   7.921   4.542   8.091
  390   1HB   GLU  48          1HB       GLU  48  10.013   4.139   5.920
  391   2HB   GLU  48          2HB       GLU  48  10.157   5.301   7.233
  392   1HG   GLU  48          1HG       GLU  48   9.979   2.280   7.572
  393   2HG   GLU  48          2HG       GLU  48  11.449   3.237   7.643
  394    H    GLU  49           H        GLU  49   6.749   4.364   4.953
  395    HA   GLU  49           HA       GLU  49   6.465   7.341   4.717
  396   1HB   GLU  49          1HB       GLU  49   7.081   5.368   2.476
  397   2HB   GLU  49          2HB       GLU  49   6.727   7.076   2.250
  398   1HG   GLU  49          1HG       GLU  49   9.148   5.932   3.692
  399   2HG   GLU  49          2HG       GLU  49   9.114   6.601   2.072
  400    H    ILE  50           H        ILE  50   4.803   4.761   5.418
  401    HA   ILE  50           HA       ILE  50   2.851   4.419   3.509
  402    HB   ILE  50           HB       ILE  50   3.304   2.940   5.402
  403   1HG1  ILE  50          1HG1      ILE  50   0.338   3.546   5.154
  404   2HG1  ILE  50          2HG1      ILE  50   1.311   2.796   3.882
  405   1HG2  ILE  50          1HG2      ILE  50   2.292   3.219   7.586
  406   2HG2  ILE  50          2HG2      ILE  50   3.166   4.713   7.238
  407   3HG2  ILE  50          3HG2      ILE  50   1.404   4.658   7.063
  408   1HD1  ILE  50          1HD1      ILE  50   0.920   1.623   6.666
  409   2HD1  ILE  50          2HD1      ILE  50   0.085   1.120   5.198
  410   3HD1  ILE  50          3HD1      ILE  50   1.839   0.895   5.313
  411    H    VAL  51           H        VAL  51   1.091   5.163   2.904
  412    HA   VAL  51           HA       VAL  51  -0.449   7.284   4.379
  413    HB   VAL  51           HB       VAL  51  -0.330   6.960   1.357
  414   1HG1  VAL  51          1HG1      VAL  51  -2.494   7.853   2.148
  415   2HG1  VAL  51          2HG1      VAL  51  -1.650   9.060   3.144
  416   3HG1  VAL  51          3HG1      VAL  51  -1.554   9.129   1.371
  417   1HG2  VAL  51          1HG2      VAL  51   1.793   7.897   2.150
  418   2HG2  VAL  51          2HG2      VAL  51   0.826   9.153   1.372
  419   3HG2  VAL  51          3HG2      VAL  51   0.921   9.086   3.144
  420    H    GLU  52           H        GLU  52  -1.735   5.803   5.519
  421    HA   GLU  52           HA       GLU  52  -3.284   3.795   4.023
  422   1HB   GLU  52          1HB       GLU  52  -4.021   4.594   6.829
  423   2HB   GLU  52          2HB       GLU  52  -4.212   3.052   5.975
  424   1HG   GLU  52          1HG       GLU  52  -1.791   2.630   6.180
  425   2HG   GLU  52          2HG       GLU  52  -1.580   4.175   7.003
  426    H    ILE  53           H        ILE  53  -4.964   4.265   2.825
  427    HA   ILE  53           HA       ILE  53  -6.230   6.923   2.881
  428    HB   ILE  53           HB       ILE  53  -6.562   4.461   1.120
  429   1HG1  ILE  53          1HG1      ILE  53  -5.296   7.180   0.523
  430   2HG1  ILE  53          2HG1      ILE  53  -4.377   5.757   0.998
  431   1HG2  ILE  53          1HG2      ILE  53  -7.868   5.910  -0.435
  432   2HG2  ILE  53          2HG2      ILE  53  -8.699   5.681   1.087
  433   3HG2  ILE  53          3HG2      ILE  53  -7.841   7.210   0.777
  434   1HD1  ILE  53          1HD1      ILE  53  -5.196   4.533  -0.998
  435   2HD1  ILE  53          2HD1      ILE  53  -5.982   6.033  -1.565
  436   3HD1  ILE  53          3HD1      ILE  53  -4.232   5.973  -1.377
  437    H    VAL  54           H        VAL  54  -6.927   3.742   3.968
  438    HA   VAL  54           HA       VAL  54  -9.391   3.053   4.285
  439    HB   VAL  54           HB       VAL  54  -7.711   3.324   6.790
  440   1HG1  VAL  54          1HG1      VAL  54  -8.855   1.208   7.389
  441   2HG1  VAL  54          2HG1      VAL  54 -10.025   2.501   7.159
  442   3HG1  VAL  54          3HG1      VAL  54  -9.799   1.276   5.887
  443   1HG2  VAL  54          1HG2      VAL  54  -6.290   2.344   5.062
  444   2HG2  VAL  54          2HG2      VAL  54  -6.828   1.084   6.153
  445   3HG2  VAL  54          3HG2      VAL  54  -7.603   1.255   4.566
  446    HA   PRO  55           HA       PRO  55 -11.513   6.910   5.503
  447   1HB   PRO  55          1HB       PRO  55 -13.858   5.125   4.829
  448   2HB   PRO  55          2HB       PRO  55 -13.605   6.853   4.431
  449   1HG   PRO  55          1HG       PRO  55 -13.175   4.966   2.550
  450   2HG   PRO  55          2HG       PRO  55 -11.990   6.299   2.749
  451   1HD   PRO  55          1HD       PRO  55 -11.830   3.467   3.813
  452   2HD   PRO  55          2HD       PRO  55 -10.573   4.444   2.998
  453    H    SER  56           H        SER  56 -12.094   3.690   6.808
  454    HA   SER  56           HA       SER  56 -14.031   4.071   8.729
  455   1HB   SER  56          1HB       SER  56 -11.552   2.331   9.040
  456   2HB   SER  56          2HB       SER  56 -13.117   2.113   9.845
  457    HG   SER  56           HG       SER  56 -12.934   0.758   8.016
  Start of MODEL    8
    1    H    MET   1           H        MET   1  -5.979   1.963  -9.438
    2    HA   MET   1           HA       MET   1  -6.258   1.860  -7.076
    3   1HB   MET   1          1HB       MET   1  -8.934   1.111  -8.318
    4   2HB   MET   1          2HB       MET   1  -8.733   1.718  -6.676
    5   1HG   MET   1          1HG       MET   1  -8.037   3.204  -9.229
    6   2HG   MET   1          2HG       MET   1  -9.434   3.496  -8.209
    7   1HE   MET   1          1HE       MET   1  -9.439   4.762  -5.933
    8   2HE   MET   1          2HE       MET   1  -8.387   3.518  -5.224
    9   3HE   MET   1          3HE       MET   1  -7.973   5.236  -5.050
   10    H    LEU   2           H        LEU   2  -6.148  -1.078  -8.544
   11    HA   LEU   2           HA       LEU   2  -6.577  -2.604  -5.998
   12   1HB   LEU   2          1HB       LEU   2  -6.379  -3.633  -8.860
   13   2HB   LEU   2          2HB       LEU   2  -6.571  -4.648  -7.430
   14    HG   LEU   2           HG       LEU   2  -8.623  -2.618  -8.431
   15   1HD1  LEU   2          1HD1      LEU   2  -9.937  -4.603  -9.032
   16   2HD1  LEU   2          2HD1      LEU   2  -8.386  -4.589  -9.892
   17   3HD1  LEU   2          3HD1      LEU   2  -8.612  -5.660  -8.493
   18   1HD2  LEU   2          1HD2      LEU   2  -8.806  -2.891  -5.993
   19   2HD2  LEU   2          2HD2      LEU   2 -10.144  -3.717  -6.797
   20   3HD2  LEU   2          3HD2      LEU   2  -8.774  -4.662  -6.172
   21    H    CYS   3           H        CYS   3  -5.088  -4.143  -5.290
   22    HA   CYS   3           HA       CYS   3  -2.720  -2.919  -4.951
   23   1HB   CYS   3          1HB       CYS   3  -2.894  -5.856  -4.365
   24   2HB   CYS   3          2HB       CYS   3  -2.322  -4.573  -3.385
   25    HG   CYS   3           HG       CYS   3  -4.551  -6.118  -2.772
   26    H    ALA   4           H        ALA   4  -0.724  -2.946  -5.501
   27    HA   ALA   4           HA       ALA   4   0.060  -4.005  -8.109
   28   1HB   ALA   4          1HB       ALA   4   1.882  -2.981  -5.904
   29   2HB   ALA   4          2HB       ALA   4   2.255  -3.139  -7.618
   30   3HB   ALA   4          3HB       ALA   4   1.049  -1.943  -7.097
   31    H    ILE   5           H        ILE   5   0.135  -5.207  -4.890
   32    HA   ILE   5           HA       ILE   5   2.250  -7.188  -5.302
   33    HB   ILE   5           HB       ILE   5   0.624  -6.213  -2.921
   34   1HG1  ILE   5          1HG1      ILE   5   3.622  -6.219  -3.513
   35   2HG1  ILE   5          2HG1      ILE   5   2.547  -4.904  -3.978
   36   1HG2  ILE   5          1HG2      ILE   5   2.705  -8.494  -3.049
   37   2HG2  ILE   5          2HG2      ILE   5   2.110  -7.774  -1.551
   38   3HG2  ILE   5          3HG2      ILE   5   1.004  -8.682  -2.589
   39   1HD1  ILE   5          1HD1      ILE   5   3.070  -5.803  -1.136
   40   2HD1  ILE   5          2HD1      ILE   5   3.672  -4.341  -1.920
   41   3HD1  ILE   5          3HD1      ILE   5   1.926  -4.524  -1.622
   42    H    SER   6           H        SER   6  -1.222  -7.406  -4.495
   43    HA   SER   6           HA       SER   6  -1.231 -10.153  -5.691
   44   1HB   SER   6          1HB       SER   6  -1.387 -10.168  -3.192
   45   2HB   SER   6          2HB       SER   6  -2.968  -9.379  -3.360
   46    HG   SER   6           HG       SER   6  -2.180 -11.928  -4.379
   47    H    GLY   7           H        GLY   7  -2.894  -7.079  -5.591
   48   1HA   GLY   7          1HA       GLY   7  -4.476  -6.228  -7.067
   49   2HA   GLY   7          2HA       GLY   7  -4.498  -7.795  -7.856
   50    H    LYS   8           H        LYS   8  -4.876  -7.710  -4.562
   51    HA   LYS   8           HA       LYS   8  -7.364  -9.161  -4.429
   52   1HB   LYS   8          1HB       LYS   8  -5.395  -9.418  -2.927
   53   2HB   LYS   8          2HB       LYS   8  -5.593  -7.776  -2.359
   54   1HG   LYS   8          1HG       LYS   8  -6.372  -9.293  -0.676
   55   2HG   LYS   8          2HG       LYS   8  -7.788  -8.458  -1.307
   56   1HD   LYS   8          1HD       LYS   8  -8.250 -10.439  -2.794
   57   2HD   LYS   8          2HD       LYS   8  -6.847 -11.261  -2.115
   58   1HE   LYS   8          1HE       LYS   8  -9.265 -10.312  -0.498
   59   2HE   LYS   8          2HE       LYS   8  -9.094 -11.938  -1.164
   60   1HZ   LYS   8          1HZ       LYS   8  -7.258 -10.730   0.842
   61   2HZ   LYS   8          2HZ       LYS   8  -8.371 -11.886   1.136
   62   3HZ   LYS   8          3HZ       LYS   8  -7.090 -12.226   0.191
   63    H    VAL   9           H        VAL   9  -9.330  -8.513  -3.381
   64    HA   VAL   9           HA       VAL   9 -10.282  -5.821  -3.826
   65    HB   VAL   9           HB       VAL   9 -11.824  -7.573  -3.974
   66   1HG1  VAL   9          1HG1      VAL   9 -12.673  -8.917  -2.168
   67   2HG1  VAL   9          2HG1      VAL   9 -10.943  -9.221  -2.335
   68   3HG1  VAL   9          3HG1      VAL   9 -11.551  -8.195  -1.012
   69   1HG2  VAL   9          1HG2      VAL   9 -12.613  -5.361  -3.222
   70   2HG2  VAL   9          2HG2      VAL   9 -13.639  -6.685  -2.641
   71   3HG2  VAL   9          3HG2      VAL   9 -12.500  -5.896  -1.529
   72    HA   PRO  10           HA       PRO  10  -7.857  -4.406  -0.337
   73   1HB   PRO  10          1HB       PRO  10  -9.326  -1.814  -0.793
   74   2HB   PRO  10          2HB       PRO  10  -7.569  -2.109  -0.563
   75   1HG   PRO  10          1HG       PRO  10  -8.556  -1.643  -3.032
   76   2HG   PRO  10          2HG       PRO  10  -7.366  -2.970  -2.790
   77   1HD   PRO  10          1HD       PRO  10 -10.391  -3.173  -2.923
   78   2HD   PRO  10          2HD       PRO  10  -9.162  -4.113  -3.805
   79    H    ARG  11           H        ARG  11  -8.231  -4.855   1.693
   80    HA   ARG  11           HA       ARG  11 -10.857  -4.521   3.055
   81   1HB   ARG  11          1HB       ARG  11  -9.589  -6.655   3.335
   82   2HB   ARG  11          2HB       ARG  11  -8.214  -5.760   3.968
   83   1HG   ARG  11          1HG       ARG  11  -9.412  -6.782   5.785
   84   2HG   ARG  11          2HG       ARG  11  -9.577  -5.030   5.919
   85   1HD   ARG  11          1HD       ARG  11 -11.855  -5.148   4.981
   86   2HD   ARG  11          2HD       ARG  11 -11.664  -6.895   4.716
   87    HE   ARG  11           HE       ARG  11 -11.188  -6.326   7.474
   88   1HH1  ARG  11          2HH2      ARG  11 -13.921  -6.388   5.285
   89   2HH1  ARG  11          1HH2      ARG  11 -15.051  -6.734   6.572
   90   1HH2  ARG  11          1HH1      ARG  11 -12.667  -6.762   9.054
   91   2HH2  ARG  11          2HH1      ARG  11 -14.353  -6.935   8.638
   92    H    ARG  12           H        ARG  12  -7.452  -3.551   3.400
   93    HA   ARG  12           HA       ARG  12  -8.319  -0.856   4.415
   94   1HB   ARG  12          1HB       ARG  12  -6.137  -2.615   5.558
   95   2HB   ARG  12          2HB       ARG  12  -6.179  -0.855   5.776
   96   1HG   ARG  12          1HG       ARG  12  -8.442  -1.051   6.812
   97   2HG   ARG  12          2HG       ARG  12  -8.341  -2.818   6.661
   98   1HD   ARG  12          1HD       ARG  12  -6.326  -2.839   8.084
   99   2HD   ARG  12          2HD       ARG  12  -6.382  -1.067   8.208
  100    HE   ARG  12           HE       ARG  12  -8.891  -2.125   9.071
  101   1HH1  ARG  12          2HH2      ARG  12  -5.600  -1.975  10.254
  102   2HH1  ARG  12          1HH2      ARG  12  -6.104  -2.052  11.921
  103   1HH2  ARG  12          2HH1      ARG  12  -9.465  -2.220  11.201
  104   2HH2  ARG  12          1HH1      ARG  12  -8.235  -2.194  12.433
  105    HA   PRO  13           HA       PRO  13  -5.888  -0.458   0.530
  106   1HB   PRO  13          1HB       PRO  13  -7.082   2.000  -0.175
  107   2HB   PRO  13          2HB       PRO  13  -7.554   0.375  -0.751
  108   1HG   PRO  13          1HG       PRO  13  -8.706   1.960   1.555
  109   2HG   PRO  13          2HG       PRO  13  -9.581   1.015   0.303
  110   1HD   PRO  13          1HD       PRO  13  -9.224  -0.090   2.700
  111   2HD   PRO  13          2HD       PRO  13  -8.788  -1.043   1.231
  112    H    VAL  14           H        VAL  14  -4.155   0.543   0.270
  113    HA   VAL  14           HA       VAL  14  -3.250   2.809   2.000
  114    HB   VAL  14           HB       VAL  14  -2.921   0.192   2.799
  115   1HG1  VAL  14          1HG1      VAL  14  -0.306   0.903   1.450
  116   2HG1  VAL  14          2HG1      VAL  14  -0.535  -0.386   2.626
  117   3HG1  VAL  14          3HG1      VAL  14  -1.408  -0.468   1.092
  118   1HG2  VAL  14          1HG2      VAL  14  -1.152   1.054   4.328
  119   2HG2  VAL  14          2HG2      VAL  14  -1.223   2.595   3.439
  120   3HG2  VAL  14          3HG2      VAL  14  -2.655   1.942   4.297
  121    H    LEU  15           H        LEU  15  -1.300   3.846   1.299
  122    HA   LEU  15           HA       LEU  15  -0.399   3.236  -1.488
  123   1HB   LEU  15          1HB       LEU  15  -2.123   4.897  -1.582
  124   2HB   LEU  15          2HB       LEU  15  -1.442   5.839  -0.280
  125    HG   LEU  15           HG       LEU  15   0.242   5.481  -2.761
  126   1HD1  LEU  15          1HD1      LEU  15  -2.138   7.371  -2.553
  127   2HD1  LEU  15          2HD1      LEU  15  -0.870   7.440  -3.804
  128   3HD1  LEU  15          3HD1      LEU  15  -1.930   6.036  -3.710
  129   1HD2  LEU  15          1HD2      LEU  15   0.955   7.755  -2.252
  130   2HD2  LEU  15          2HD2      LEU  15  -0.299   7.923  -1.009
  131   3HD2  LEU  15          3HD2      LEU  15   1.060   6.824  -0.754
  132    H    SER  16           H        SER  16   1.679   4.066  -1.971
  133    HA   SER  16           HA       SER  16   3.377   5.122   0.244
  134   1HB   SER  16          1HB       SER  16   4.078   2.806  -0.161
  135   2HB   SER  16          2HB       SER  16   4.200   3.140  -1.903
  136    HG   SER  16           HG       SER  16   6.212   3.291  -0.978
  137    HA   PRO  17           HA       PRO  17   3.642   8.349  -2.831
  138   1HB   PRO  17          1HB       PRO  17   5.788   9.815  -1.934
  139   2HB   PRO  17          2HB       PRO  17   4.189   9.790  -1.133
  140   1HG   PRO  17          1HG       PRO  17   6.645   8.143  -0.438
  141   2HG   PRO  17          2HG       PRO  17   5.617   9.112   0.665
  142   1HD   PRO  17          1HD       PRO  17   5.259   6.441   0.394
  143   2HD   PRO  17          2HD       PRO  17   3.855   7.537   0.557
  144    H    LYS  18           H        LYS  18   5.983   5.939  -2.498
  145    HA   LYS  18           HA       LYS  18   7.830   6.694  -4.659
  146   1HB   LYS  18          1HB       LYS  18   7.402   4.347  -2.825
  147   2HB   LYS  18          2HB       LYS  18   8.470   4.178  -4.220
  148   1HG   LYS  18          1HG       LYS  18  10.015   5.722  -3.412
  149   2HG   LYS  18          2HG       LYS  18   8.855   6.513  -2.335
  150   1HD   LYS  18          1HD       LYS  18   8.866   4.711  -0.774
  151   2HD   LYS  18          2HD       LYS  18   9.746   3.638  -1.880
  152   1HE   LYS  18          1HE       LYS  18  11.744   4.984  -1.743
  153   2HE   LYS  18          2HE       LYS  18  10.901   6.273  -0.876
  154   1HZ   LYS  18          1HZ       LYS  18  12.289   4.541   0.468
  155   2HZ   LYS  18          2HZ       LYS  18  10.861   5.078   1.048
  156   3HZ   LYS  18          3HZ       LYS  18  10.958   3.600   0.346
  157    H    SER  19           H        SER  19   5.680   3.792  -4.385
  158    HA   SER  19           HA       SER  19   5.419   3.411  -7.193
  159   1HB   SER  19          1HB       SER  19   3.599   2.574  -4.903
  160   2HB   SER  19          2HB       SER  19   3.515   1.951  -6.561
  161    HG   SER  19           HG       SER  19   5.561   1.680  -4.634
  162    H    ARG  20           H        ARG  20   3.492   5.294  -4.902
  163    HA   ARG  20           HA       ARG  20   1.734   6.676  -5.008
  164   1HB   ARG  20          1HB       ARG  20   3.261   7.554  -7.025
  165   2HB   ARG  20          2HB       ARG  20   1.911   7.006  -7.996
  166   1HG   ARG  20          1HG       ARG  20   1.619   9.339  -7.587
  167   2HG   ARG  20          2HG       ARG  20   0.385   8.506  -6.654
  168   1HD   ARG  20          1HD       ARG  20   1.362  10.341  -5.355
  169   2HD   ARG  20          2HD       ARG  20   1.713   8.804  -4.590
  170    HE   ARG  20           HE       ARG  20   4.012   9.040  -5.090
  171   1HH1  ARG  20          2HH2      ARG  20   2.374  11.683  -6.722
  172   2HH1  ARG  20          1HH2      ARG  20   3.895  12.476  -7.047
  173   1HH2  ARG  20          2HH1      ARG  20   5.785  10.058  -5.484
  174   2HH2  ARG  20          1HH1      ARG  20   5.807  11.573  -6.372
  175    H    THR  21           H        THR  21   1.546   3.687  -6.348
  176    HA   THR  21           HA       THR  21  -1.190   3.624  -7.289
  177    HB   THR  21           HB       THR  21  -0.755   1.230  -7.402
  178    HG1  THR  21           1HG      THR  21   1.154   0.383  -6.636
  179   1HG2  THR  21          1HG2      THR  21   0.371   2.709  -9.164
  180   2HG2  THR  21          2HG2      THR  21   1.872   2.534  -8.211
  181   3HG2  THR  21          3HG2      THR  21   1.102   1.108  -8.912
  182    H    ILE  22           H        ILE  22  -2.558   1.687  -6.142
  183    HA   ILE  22           HA       ILE  22  -2.567   2.099  -3.171
  184    HB   ILE  22           HB       ILE  22  -4.780   1.167  -4.993
  185   1HG1  ILE  22          1HG1      ILE  22  -4.500   3.521  -5.463
  186   2HG1  ILE  22          2HG1      ILE  22  -5.984   3.241  -4.578
  187   1HG2  ILE  22          1HG2      ILE  22  -6.241   1.493  -2.981
  188   2HG2  ILE  22          2HG2      ILE  22  -5.063   0.201  -2.806
  189   3HG2  ILE  22          3HG2      ILE  22  -4.773   1.765  -2.014
  190   1HD1  ILE  22          1HD1      ILE  22  -4.830   5.261  -3.780
  191   2HD1  ILE  22          2HD1      ILE  22  -4.931   4.046  -2.493
  192   3HD1  ILE  22          3HD1      ILE  22  -3.403   4.294  -3.363
  193    H    PHE  23           H        PHE  23  -2.363   0.306  -1.980
  194    HA   PHE  23           HA       PHE  23  -2.807  -2.335  -3.120
  195   1HB   PHE  23          1HB       PHE  23  -0.637  -2.904  -1.467
  196   2HB   PHE  23          2HB       PHE  23  -0.691  -2.988  -3.215
  197    HD1  PHE  23           1HD      PHE  23   0.891  -1.764  -4.417
  198    HD2  PHE  23           2HD      PHE  23   0.032  -0.720  -0.434
  199    HE1  PHE  23           1HE      PHE  23   2.558   0.076  -4.607
  200    HE2  PHE  23           2HE      PHE  23   1.634   1.267  -0.579
  201    HZ   PHE  23           HZ       PHE  23   2.908   1.611  -2.691
  202    H    GLU  24           H        GLU  24  -2.793  -4.013  -1.407
  203    HA   GLU  24           HA       GLU  24  -4.621  -3.049   0.685
  204   1HB   GLU  24          1HB       GLU  24  -5.473  -4.947  -0.192
  205   2HB   GLU  24          2HB       GLU  24  -3.941  -5.710  -0.441
  206   1HG   GLU  24          1HG       GLU  24  -5.250  -6.852   1.300
  207   2HG   GLU  24          2HG       GLU  24  -3.740  -6.224   1.958
  208    H    LYS  25           H        LYS  25  -4.052  -2.751   2.856
  209    HA   LYS  25           HA       LYS  25  -1.442  -2.059   3.602
  210   1HB   LYS  25          1HB       LYS  25  -3.334  -1.161   4.762
  211   2HB   LYS  25          2HB       LYS  25  -3.954  -2.770   5.125
  212   1HG   LYS  25          1HG       LYS  25  -3.102  -1.772   7.134
  213   2HG   LYS  25          2HG       LYS  25  -2.151  -3.180   6.705
  214   1HD   LYS  25          1HD       LYS  25  -0.747  -1.050   5.491
  215   2HD   LYS  25          2HD       LYS  25  -1.336  -0.338   6.992
  216   1HE   LYS  25          1HE       LYS  25   0.170  -2.978   6.740
  217   2HE   LYS  25          2HE       LYS  25   0.945  -1.441   7.118
  218   1HZ   LYS  25          1HZ       LYS  25  -0.257  -1.365   9.196
  219   2HZ   LYS  25          2HZ       LYS  25  -1.144  -2.693   8.822
  220   3HZ   LYS  25          3HZ       LYS  25   0.460  -2.843   9.074
  221    H    SER  26           H        SER  26  -3.257  -5.035   4.087
  222    HA   SER  26           HA       SER  26  -1.387  -6.353   5.694
  223   1HB   SER  26          1HB       SER  26  -3.728  -7.083   5.324
  224   2HB   SER  26          2HB       SER  26  -3.281  -7.661   3.706
  225    HG   SER  26           HG       SER  26  -3.251  -9.319   5.333
  226    H    LEU  27           H        LEU  27  -1.465  -6.176   2.136
  227    HA   LEU  27           HA       LEU  27   0.555  -8.310   1.816
  228   1HB   LEU  27          1HB       LEU  27   0.063  -6.580  -0.514
  229   2HB   LEU  27          2HB       LEU  27   0.142  -8.330  -0.387
  230    HG   LEU  27           HG       LEU  27  -2.244  -6.650   0.331
  231   1HD1  LEU  27          1HD1      LEU  27  -1.770  -6.340  -1.981
  232   2HD1  LEU  27          2HD1      LEU  27  -1.478  -8.074  -2.208
  233   3HD1  LEU  27          3HD1      LEU  27  -3.133  -7.483  -1.887
  234   1HD2  LEU  27          1HD2      LEU  27  -2.077  -9.641  -0.205
  235   2HD2  LEU  27          2HD2      LEU  27  -2.286  -8.890   1.392
  236   3HD2  LEU  27          3HD2      LEU  27  -3.552  -8.713   0.172
  237    H    LEU  28           H        LEU  28   0.346  -4.782   1.651
  238    HA   LEU  28           HA       LEU  28   2.997  -4.336   0.594
  239   1HB   LEU  28          1HB       LEU  28   1.268  -2.567   0.610
  240   2HB   LEU  28          2HB       LEU  28   1.393  -2.490   2.370
  241    HG   LEU  28           HG       LEU  28   3.936  -2.026   2.028
  242   1HD1  LEU  28          1HD1      LEU  28   4.491  -0.957  -0.175
  243   2HD1  LEU  28          2HD1      LEU  28   4.276  -2.705  -0.252
  244   3HD1  LEU  28          3HD1      LEU  28   2.990  -1.632  -0.834
  245   1HD2  LEU  28          1HD2      LEU  28   2.462  -0.377   2.786
  246   2HD2  LEU  28          2HD2      LEU  28   3.504   0.366   1.560
  247   3HD2  LEU  28          3HD2      LEU  28   1.825  -0.066   1.170
  248    H    GLU  29           H        GLU  29   1.674  -4.440   3.945
  249    HA   GLU  29           HA       GLU  29   4.179  -3.958   5.260
  250   1HB   GLU  29          1HB       GLU  29   1.849  -3.949   6.311
  251   2HB   GLU  29          2HB       GLU  29   1.983  -5.714   6.402
  252   1HG   GLU  29          1HG       GLU  29   4.238  -5.271   7.631
  253   2HG   GLU  29          2HG       GLU  29   3.728  -3.592   7.732
  254    H    GLN  30           H        GLN  30   2.674  -7.022   4.185
  255    HA   GLN  30           HA       GLN  30   4.670  -8.789   5.213
  256   1HB   GLN  30          1HB       GLN  30   2.403  -9.352   4.217
  257   2HB   GLN  30          2HB       GLN  30   3.115  -9.171   2.618
  258   1HG   GLN  30          1HG       GLN  30   4.754 -10.959   3.122
  259   2HG   GLN  30          2HG       GLN  30   4.125 -11.088   4.767
  260   1HE2  GLN  30          1HE2      GLN  30   3.070 -11.414   1.299
  261   2HE2  GLN  30          2HE2      GLN  30   1.878 -12.654   1.688
  262    H    TYR  31           H        TYR  31   4.464  -7.124   2.092
  263    HA   TYR  31           HA       TYR  31   6.825  -8.293   0.889
  264   1HB   TYR  31          1HB       TYR  31   4.893  -7.295  -0.328
  265   2HB   TYR  31          2HB       TYR  31   5.326  -5.708   0.282
  266    HD1  TYR  31           1HD      TYR  31   6.958  -8.574  -1.503
  267    HD2  TYR  31           2HD      TYR  31   6.516  -4.314  -1.202
  268    HE1  TYR  31           1HE      TYR  31   8.262  -8.267  -3.657
  269    HE2  TYR  31           2HE      TYR  31   7.969  -4.048  -3.209
  270    HH   TYR  31           HH       TYR  31   9.234  -6.795  -5.070
  271    H    VAL  32           H        VAL  32   6.220  -5.396   2.753
  272    HA   VAL  32           HA       VAL  32   8.928  -4.440   2.387
  273    HB   VAL  32           HB       VAL  32   6.438  -3.271   3.572
  274   1HG1  VAL  32          1HG1      VAL  32   7.312  -1.186   3.950
  275   2HG1  VAL  32          2HG1      VAL  32   8.291  -2.283   4.896
  276   3HG1  VAL  32          3HG1      VAL  32   8.924  -1.616   3.371
  277   1HG2  VAL  32          1HG2      VAL  32   6.292  -2.015   1.644
  278   2HG2  VAL  32          2HG2      VAL  32   7.993  -2.295   1.208
  279   3HG2  VAL  32          3HG2      VAL  32   6.789  -3.571   1.059
  280    H    LYS  33           H        LYS  33   7.352  -6.284   4.758
  281    HA   LYS  33           HA       LYS  33   9.573  -5.927   6.735
  282   1HB   LYS  33          1HB       LYS  33   8.394  -7.061   8.330
  283   2HB   LYS  33          2HB       LYS  33   7.163  -6.134   7.484
  284   1HG   LYS  33          1HG       LYS  33   6.819  -8.381   6.131
  285   2HG   LYS  33          2HG       LYS  33   7.673  -9.122   7.479
  286   1HD   LYS  33          1HD       LYS  33   5.079  -7.519   7.590
  287   2HD   LYS  33          2HD       LYS  33   5.250  -9.268   7.786
  288   1HE   LYS  33          1HE       LYS  33   6.544  -8.923   9.867
  289   2HE   LYS  33          2HE       LYS  33   6.437  -7.169   9.659
  290   1HZ   LYS  33          1HZ       LYS  33   4.012  -7.339   9.872
  291   2HZ   LYS  33          2HZ       LYS  33   4.100  -8.965  10.048
  292   3HZ   LYS  33          3HZ       LYS  33   4.736  -7.981  11.186
  293    H    ASP  34           H        ASP  34   8.825  -7.769   4.035
  294    HA   ASP  34           HA       ASP  34  10.726  -9.964   4.430
  295   1HB   ASP  34          1HB       ASP  34   8.790  -9.098   2.402
  296   2HB   ASP  34          2HB       ASP  34  10.298  -9.447   1.639
  297    H    THR  35           H        THR  35  10.722  -7.252   2.104
  298    HA   THR  35           HA       THR  35  13.708  -6.968   2.375
  299    HB   THR  35           HB       THR  35  13.948  -6.576   0.071
  300    HG1  THR  35           1HG      THR  35  11.176  -7.044  -0.276
  301   1HG2  THR  35          1HG2      THR  35  12.188  -9.046   0.284
  302   2HG2  THR  35          2HG2      THR  35  13.394  -8.683  -0.963
  303   3HG2  THR  35          3HG2      THR  35  13.913  -8.971   0.707
  304    H    GLY  36           H        GLY  36  10.689  -5.281   2.474
  305   1HA   GLY  36          1HA       GLY  36  10.412  -3.110   3.192
  306   2HA   GLY  36          2HA       GLY  36  12.114  -2.780   2.997
  307    H    ASN  37           H        ASN  37  11.642  -4.009   0.095
  308    HA   ASN  37           HA       ASN  37  11.669  -1.374  -1.064
  309   1HB   ASN  37          1HB       ASN  37  11.392  -4.140  -2.342
  310   2HB   ASN  37          2HB       ASN  37  11.797  -2.670  -3.209
  311   1HD2  ASN  37          1HD2      ASN  37  13.146  -5.339  -1.650
  312   2HD2  ASN  37          2HD2      ASN  37  14.777  -4.672  -1.512
  313    H    ASP  38           H        ASP  38  10.217  -0.210  -2.301
  314    HA   ASP  38           HA       ASP  38   7.394  -0.742  -2.151
  315   1HB   ASP  38          1HB       ASP  38   9.104   1.310  -3.417
  316   2HB   ASP  38          2HB       ASP  38   7.800   0.838  -4.458
  317    HA   PRO  39           HA       PRO  39   7.052  -3.940  -5.184
  318   1HB   PRO  39          1HB       PRO  39   4.418  -3.878  -5.879
  319   2HB   PRO  39          2HB       PRO  39   5.024  -4.347  -4.261
  320   1HG   PRO  39          1HG       PRO  39   4.015  -1.632  -5.145
  321   2HG   PRO  39          2HG       PRO  39   3.494  -2.584  -3.715
  322   1HD   PRO  39          1HD       PRO  39   5.347  -0.622  -3.492
  323   2HD   PRO  39          2HD       PRO  39   5.527  -2.150  -2.576
  324    H    ILE  40           H        ILE  40   6.968  -0.719  -6.254
  325    HA   ILE  40           HA       ILE  40   6.718  -1.515  -9.152
  326    HB   ILE  40           HB       ILE  40   5.920   1.129  -7.913
  327   1HG1  ILE  40          1HG1      ILE  40   4.213  -0.553  -7.417
  328   2HG1  ILE  40          2HG1      ILE  40   3.632   0.637  -8.559
  329   1HG2  ILE  40          1HG2      ILE  40   5.048   1.662 -10.200
  330   2HG2  ILE  40          2HG2      ILE  40   6.803   1.593 -10.084
  331   3HG2  ILE  40          3HG2      ILE  40   5.922   0.237 -10.812
  332   1HD1  ILE  40          1HD1      ILE  40   4.510  -2.205  -9.224
  333   2HD1  ILE  40          2HD1      ILE  40   2.857  -1.564  -9.208
  334   3HD1  ILE  40          3HD1      ILE  40   3.991  -1.001 -10.431
  335    H    THR  41           H        THR  41   8.201   0.882  -6.913
  336    HA   THR  41           HA       THR  41  10.237   1.537  -8.953
  337    HB   THR  41           HB       THR  41  11.034   3.226  -7.362
  338    HG1  THR  41           1HG      THR  41   8.745   2.380  -5.984
  339   1HG2  THR  41          1HG2      THR  41   8.025   3.358  -7.892
  340   2HG2  THR  41          2HG2      THR  41   9.097   4.715  -7.489
  341   3HG2  THR  41          3HG2      THR  41   9.303   3.847  -9.025
  342    H    ASN  42           H        ASN  42   9.951  -0.685  -6.348
  343    HA   ASN  42           HA       ASN  42  11.206  -1.567  -4.840
  344   1HB   ASN  42          1HB       ASN  42  12.859  -2.992  -5.623
  345   2HB   ASN  42          2HB       ASN  42  11.606  -2.899  -6.832
  346   1HD2  ASN  42          2HD2      ASN  42  14.784  -1.378  -6.084
  347   2HD2  ASN  42          1HD2      ASN  42  15.313  -1.358  -7.773
  348    H    GLU  43           H        GLU  43  11.386   1.189  -4.728
  349    HA   GLU  43           HA       GLU  43  14.119   1.792  -3.755
  350   1HB   GLU  43          1HB       GLU  43  11.503   3.302  -3.419
  351   2HB   GLU  43          2HB       GLU  43  13.075   3.830  -2.809
  352   1HG   GLU  43          1HG       GLU  43  13.462   3.208  -5.576
  353   2HG   GLU  43          2HG       GLU  43  11.949   4.088  -5.474
  354    HA   PRO  44           HA       PRO  44  13.492  -0.473  -0.068
  355   1HB   PRO  44          1HB       PRO  44  15.462   0.465   1.596
  356   2HB   PRO  44          2HB       PRO  44  15.770  -0.529   0.138
  357   1HG   PRO  44          1HG       PRO  44  15.890   2.495   0.387
  358   2HG   PRO  44          2HG       PRO  44  17.104   1.394  -0.344
  359   1HD   PRO  44          1HD       PRO  44  15.283   2.707  -1.869
  360   2HD   PRO  44          2HD       PRO  44  15.751   1.020  -2.250
  361    H    LEU  45           H        LEU  45  12.231  -0.479   1.595
  362    HA   LEU  45           HA       LEU  45  10.900  -0.073   3.283
  363   1HB   LEU  45          1HB       LEU  45  12.497   2.438   3.713
  364   2HB   LEU  45          2HB       LEU  45  11.075   2.072   4.674
  365    HG   LEU  45           HG       LEU  45  13.319   0.034   4.379
  366   1HD1  LEU  45          1HD1      LEU  45  14.322   2.107   5.245
  367   2HD1  LEU  45          2HD1      LEU  45  13.056   2.222   6.489
  368   3HD1  LEU  45          3HD1      LEU  45  14.224   0.882   6.518
  369   1HD2  LEU  45          1HD2      LEU  45  11.192  -0.815   5.325
  370   2HD2  LEU  45          2HD2      LEU  45  12.457  -0.767   6.551
  371   3HD2  LEU  45          3HD2      LEU  45  11.206   0.487   6.533
  372    H    SER  46           H        SER  46   8.964   0.806   3.794
  373    HA   SER  46           HA       SER  46   7.610   2.512   1.802
  374   1HB   SER  46          1HB       SER  46   7.608  -0.020   1.217
  375   2HB   SER  46          2HB       SER  46   6.282  -0.047   2.401
  376    HG   SER  46           HG       SER  46   6.495   1.414  -0.010
  377    H    ILE  47           H        ILE  47   6.874   0.356   4.517
  378    HA   ILE  47           HA       ILE  47   4.786   1.736   5.560
  379    HB   ILE  47           HB       ILE  47   5.500  -0.650   5.983
  380   1HG1  ILE  47          1HG1      ILE  47   4.754  -0.825   8.363
  381   2HG1  ILE  47          2HG1      ILE  47   4.721   0.938   8.456
  382   1HG2  ILE  47          1HG2      ILE  47   7.323   0.493   8.134
  383   2HG2  ILE  47          2HG2      ILE  47   7.050  -1.213   7.741
  384   3HG2  ILE  47          3HG2      ILE  47   7.878  -0.171   6.581
  385   1HD1  ILE  47          1HD1      ILE  47   3.025   0.989   6.652
  386   2HD1  ILE  47          2HD1      ILE  47   3.133  -0.775   6.485
  387   3HD1  ILE  47          3HD1      ILE  47   2.492  -0.052   7.984
  388    H    GLU  48           H        GLU  48   8.076   2.441   6.134
  389    HA   GLU  48           HA       GLU  48   7.759   4.267   8.372
  390   1HB   GLU  48          1HB       GLU  48   9.949   3.920   6.280
  391   2HB   GLU  48          2HB       GLU  48  10.061   5.032   7.641
  392   1HG   GLU  48          1HG       GLU  48   9.741   2.013   7.906
  393   2HG   GLU  48          2HG       GLU  48  11.259   2.890   8.007
  394    H    GLU  49           H        GLU  49   6.774   4.387   5.161
  395    HA   GLU  49           HA       GLU  49   6.497   7.375   5.189
  396   1HB   GLU  49          1HB       GLU  49   7.475   5.625   2.897
  397   2HB   GLU  49          2HB       GLU  49   6.929   7.298   2.696
  398   1HG   GLU  49          1HG       GLU  49   8.654   8.077   4.284
  399   2HG   GLU  49          2HG       GLU  49   9.248   6.420   4.464
  400    H    ILE  50           H        ILE  50   4.804   4.791   5.590
  401    HA   ILE  50           HA       ILE  50   2.970   4.509   3.588
  402    HB   ILE  50           HB       ILE  50   3.389   3.104   5.625
  403   1HG1  ILE  50          1HG1      ILE  50   1.053   2.200   5.800
  404   2HG1  ILE  50          2HG1      ILE  50   0.513   3.527   4.770
  405   1HG2  ILE  50          1HG2      ILE  50   3.008   4.860   7.361
  406   2HG2  ILE  50          2HG2      ILE  50   1.273   4.789   7.003
  407   3HG2  ILE  50          3HG2      ILE  50   2.107   3.361   7.640
  408   1HD1  ILE  50          1HD1      ILE  50   1.948   2.718   2.937
  409   2HD1  ILE  50          2HD1      ILE  50   2.718   1.546   4.029
  410   3HD1  ILE  50          3HD1      ILE  50   1.021   1.355   3.573
  411    H    VAL  51           H        VAL  51   1.147   5.200   2.987
  412    HA   VAL  51           HA       VAL  51  -0.330   7.430   4.361
  413    HB   VAL  51           HB       VAL  51  -0.167   7.055   1.352
  414   1HG1  VAL  51          1HG1      VAL  51  -2.274   8.099   2.153
  415   2HG1  VAL  51          2HG1      VAL  51  -1.333   9.303   3.054
  416   3HG1  VAL  51          3HG1      VAL  51  -1.273   9.257   1.280
  417   1HG2  VAL  51          1HG2      VAL  51   1.211   9.111   3.124
  418   2HG2  VAL  51          2HG2      VAL  51   2.004   7.867   2.129
  419   3HG2  VAL  51          3HG2      VAL  51   1.120   9.180   1.347
  420    H    GLU  52           H        GLU  52  -1.741   6.038   5.482
  421    HA   GLU  52           HA       GLU  52  -3.153   3.952   4.027
  422   1HB   GLU  52          1HB       GLU  52  -4.100   4.803   6.742
  423   2HB   GLU  52          2HB       GLU  52  -4.033   3.217   5.972
  424   1HG   GLU  52          1HG       GLU  52  -2.410   2.933   7.516
  425   2HG   GLU  52          2HG       GLU  52  -1.402   3.531   6.211
  426    H    ILE  53           H        ILE  53  -5.034   3.964   3.012
  427    HA   ILE  53           HA       ILE  53  -6.546   6.518   2.851
  428    HB   ILE  53           HB       ILE  53  -6.725   4.140   0.980
  429   1HG1  ILE  53          1HG1      ILE  53  -4.403   4.777   0.855
  430   2HG1  ILE  53          2HG1      ILE  53  -5.244   5.290  -0.588
  431   1HG2  ILE  53          1HG2      ILE  53  -7.485   7.083   0.674
  432   2HG2  ILE  53          2HG2      ILE  53  -7.554   5.869  -0.620
  433   3HG2  ILE  53          3HG2      ILE  53  -8.595   5.711   0.793
  434   1HD1  ILE  53          1HD1      ILE  53  -3.623   6.976   0.167
  435   2HD1  ILE  53          2HD1      ILE  53  -5.266   7.635   0.204
  436   3HD1  ILE  53          3HD1      ILE  53  -4.471   7.136   1.714
  437    H    VAL  54           H        VAL  54  -7.077   5.658   5.103
  438    HA   VAL  54           HA       VAL  54  -8.517   3.399   5.741
  439    HB   VAL  54           HB       VAL  54  -8.810   6.074   7.134
  440   1HG1  VAL  54          1HG1      VAL  54 -10.491   4.442   7.908
  441   2HG1  VAL  54          2HG1      VAL  54  -9.228   3.208   8.112
  442   3HG1  VAL  54          3HG1      VAL  54  -9.250   4.663   9.134
  443   1HG2  VAL  54          1HG2      VAL  54  -6.786   3.816   7.507
  444   2HG2  VAL  54          2HG2      VAL  54  -6.442   5.481   6.978
  445   3HG2  VAL  54          3HG2      VAL  54  -7.008   5.186   8.617
  446    HA   PRO  55           HA       PRO  55 -12.341   4.134   3.421
  447   1HB   PRO  55          1HB       PRO  55 -13.180   1.710   5.022
  448   2HB   PRO  55          2HB       PRO  55 -13.454   2.064   3.288
  449   1HG   PRO  55          1HG       PRO  55 -11.472   0.380   4.019
  450   2HG   PRO  55          2HG       PRO  55 -11.157   1.629   2.768
  451   1HD   PRO  55          1HD       PRO  55 -10.444   1.692   5.709
  452   2HD   PRO  55          2HD       PRO  55  -9.448   2.143   4.289
  453    H    SER  56           H        SER  56 -12.331   3.651   6.935
  454    HA   SER  56           HA       SER  56 -14.957   4.266   7.642
  455   1HB   SER  56          1HB       SER  56 -12.454   5.062   9.178
  456   2HB   SER  56          2HB       SER  56 -14.072   4.797   9.849
  457    HG   SER  56           HG       SER  56 -13.912   2.604   9.237
  Start of MODEL    9
    1    H    MET   1           H        MET   1  -6.446   2.221  -8.739
    2    HA   MET   1           HA       MET   1  -6.994   1.731  -6.389
    3   1HB   MET   1          1HB       MET   1  -8.788   2.456  -7.990
    4   2HB   MET   1          2HB       MET   1  -9.238   0.758  -8.207
    5   1HG   MET   1          1HG       MET   1  -9.832   0.594  -5.832
    6   2HG   MET   1          2HG       MET   1  -9.237   2.231  -5.539
    7   1HE   MET   1          1HE       MET   1 -12.072   1.157  -4.595
    8   2HE   MET   1          2HE       MET   1 -11.495   2.812  -4.291
    9   3HE   MET   1          3HE       MET   1 -13.110   2.544  -4.991
   10    H    LEU   2           H        LEU   2  -6.378  -0.965  -8.302
   11    HA   LEU   2           HA       LEU   2  -6.887  -2.889  -6.060
   12   1HB   LEU   2          1HB       LEU   2  -6.896  -4.694  -7.651
   13   2HB   LEU   2          2HB       LEU   2  -8.050  -3.465  -8.125
   14    HG   LEU   2           HG       LEU   2  -6.039  -2.611  -9.683
   15   1HD1  LEU   2          1HD1      LEU   2  -4.760  -4.490 -10.620
   16   2HD1  LEU   2          2HD1      LEU   2  -4.380  -4.324  -8.908
   17   3HD1  LEU   2          3HD1      LEU   2  -5.485  -5.606  -9.443
   18   1HD2  LEU   2          1HD2      LEU   2  -7.752  -5.051 -10.299
   19   2HD2  LEU   2          2HD2      LEU   2  -8.238  -3.348 -10.475
   20   3HD2  LEU   2          3HD2      LEU   2  -6.955  -4.006 -11.498
   21    H    CYS   3           H        CYS   3  -5.324  -4.287  -5.301
   22    HA   CYS   3           HA       CYS   3  -3.051  -2.934  -4.837
   23   1HB   CYS   3          1HB       CYS   3  -3.298  -5.932  -4.364
   24   2HB   CYS   3          2HB       CYS   3  -2.529  -4.746  -3.403
   25    HG   CYS   3           HG       CYS   3  -4.777  -6.148  -2.699
   26    H    ALA   4           H        ALA   4  -0.976  -2.859  -5.292
   27    HA   ALA   4           HA       ALA   4  -0.141  -3.837  -7.924
   28   1HB   ALA   4          1HB       ALA   4   1.735  -2.717  -5.835
   29   2HB   ALA   4          2HB       ALA   4   1.906  -2.739  -7.583
   30   3HB   ALA   4          3HB       ALA   4   0.675  -1.694  -6.856
   31    H    ILE   5           H        ILE   5  -0.134  -5.206  -4.799
   32    HA   ILE   5           HA       ILE   5   2.147  -7.027  -5.272
   33    HB   ILE   5           HB       ILE   5   0.528  -6.268  -2.814
   34   1HG1  ILE   5          1HG1      ILE   5   3.469  -5.825  -3.516
   35   2HG1  ILE   5          2HG1      ILE   5   2.207  -4.625  -3.795
   36   1HG2  ILE   5          1HG2      ILE   5   2.883  -8.240  -3.189
   37   2HG2  ILE   5          2HG2      ILE   5   2.317  -7.692  -1.607
   38   3HG2  ILE   5          3HG2      ILE   5   1.254  -8.663  -2.619
   39   1HD1  ILE   5          1HD1      ILE   5   1.696  -4.575  -1.366
   40   2HD1  ILE   5          2HD1      ILE   5   3.060  -5.689  -1.087
   41   3HD1  ILE   5          3HD1      ILE   5   3.361  -4.091  -1.757
   42    H    SER   6           H        SER   6  -1.327  -7.368  -4.326
   43    HA   SER   6           HA       SER   6  -1.252 -10.145  -5.431
   44   1HB   SER   6          1HB       SER   6  -2.866 -10.861  -3.928
   45   2HB   SER   6          2HB       SER   6  -1.705  -9.934  -2.969
   46    HG   SER   6           HG       SER   6  -3.894  -9.381  -2.511
   47    H    GLY   7           H        GLY   7  -2.881  -7.067  -5.685
   48   1HA   GLY   7          1HA       GLY   7  -4.234  -6.358  -7.477
   49   2HA   GLY   7          2HA       GLY   7  -4.226  -8.027  -8.036
   50    H    LYS   8           H        LYS   8  -5.070  -7.795  -4.866
   51    HA   LYS   8           HA       LYS   8  -7.839  -8.639  -5.121
   52   1HB   LYS   8          1HB       LYS   8  -6.231  -9.413  -3.471
   53   2HB   LYS   8          2HB       LYS   8  -5.983  -7.778  -2.867
   54   1HG   LYS   8          1HG       LYS   8  -8.242  -7.775  -1.906
   55   2HG   LYS   8          2HG       LYS   8  -8.579  -9.373  -2.622
   56   1HD   LYS   8          1HD       LYS   8  -6.752 -10.357  -1.286
   57   2HD   LYS   8          2HD       LYS   8  -6.315  -8.751  -0.674
   58   1HE   LYS   8          1HE       LYS   8  -8.673  -8.576   0.271
   59   2HE   LYS   8          2HE       LYS   8  -8.902 -10.282  -0.154
   60   1HZ   LYS   8          1HZ       LYS   8  -6.870  -9.168   1.708
   61   2HZ   LYS   8          2HZ       LYS   8  -8.170 -10.078   2.129
   62   3HZ   LYS   8          3HZ       LYS   8  -6.942 -10.762   1.289
   63    H    VAL   9           H        VAL   9  -9.590  -7.550  -3.922
   64    HA   VAL   9           HA       VAL   9  -9.834  -4.632  -4.422
   65    HB   VAL   9           HB       VAL   9 -11.814  -6.591  -3.193
   66   1HG1  VAL   9          1HG1      VAL   9 -12.151  -3.691  -4.098
   67   2HG1  VAL   9          2HG1      VAL   9 -13.459  -4.775  -3.573
   68   3HG1  VAL   9          3HG1      VAL   9 -12.217  -4.276  -2.420
   69   1HG2  VAL   9          1HG2      VAL   9 -11.427  -7.062  -5.585
   70   2HG2  VAL   9          2HG2      VAL   9 -13.015  -6.333  -5.342
   71   3HG2  VAL   9          3HG2      VAL   9 -11.677  -5.349  -5.979
   72    HA   PRO  10           HA       PRO  10  -7.486  -4.411  -0.644
   73   1HB   PRO  10          1HB       PRO  10  -8.384  -1.535  -0.571
   74   2HB   PRO  10          2HB       PRO  10  -6.751  -2.223  -0.318
   75   1HG   PRO  10          1HG       PRO  10  -7.466  -1.083  -2.681
   76   2HG   PRO  10          2HG       PRO  10  -6.467  -2.568  -2.648
   77   1HD   PRO  10          1HD       PRO  10  -9.422  -2.294  -3.177
   78   2HD   PRO  10          2HD       PRO  10  -8.216  -3.347  -3.967
   79    H    ARG  11           H        ARG  11  -8.198  -5.437   1.112
   80    HA   ARG  11           HA       ARG  11 -10.580  -4.895   2.654
   81   1HB   ARG  11          1HB       ARG  11  -9.312  -6.996   2.747
   82   2HB   ARG  11          2HB       ARG  11  -7.905  -6.128   3.382
   83   1HG   ARG  11          1HG       ARG  11  -8.951  -5.722   5.488
   84   2HG   ARG  11          2HG       ARG  11 -10.524  -6.292   4.894
   85   1HD   ARG  11          1HD       ARG  11  -9.252  -7.930   6.342
   86   2HD   ARG  11          2HD       ARG  11  -9.792  -8.553   4.777
   87    HE   ARG  11           HE       ARG  11  -7.274  -7.822   4.112
   88   1HH1  ARG  11          2HH2      ARG  11  -8.239  -9.717   6.905
   89   2HH1  ARG  11          1HH2      ARG  11  -6.740 -10.616   6.863
   90   1HH2  ARG  11          2HH1      ARG  11  -5.570  -8.968   4.060
   91   2HH2  ARG  11          1HH1      ARG  11  -5.244 -10.229   5.256
   92    H    ARG  12           H        ARG  12  -7.218  -3.842   3.051
   93    HA   ARG  12           HA       ARG  12  -8.152  -1.311   4.383
   94   1HB   ARG  12          1HB       ARG  12  -5.839  -3.104   5.118
   95   2HB   ARG  12          2HB       ARG  12  -5.767  -1.378   5.432
   96   1HG   ARG  12          1HG       ARG  12  -7.849  -3.298   6.534
   97   2HG   ARG  12          2HG       ARG  12  -6.492  -2.599   7.402
   98   1HD   ARG  12          1HD       ARG  12  -9.049  -1.286   6.491
   99   2HD   ARG  12          2HD       ARG  12  -8.359  -1.326   8.105
  100    HE   ARG  12           HE       ARG  12  -7.975   0.710   6.134
  101   1HH1  ARG  12          2HH2      ARG  12  -5.981  -0.804   8.654
  102   2HH1  ARG  12          1HH2      ARG  12  -4.842   0.545   8.506
  103   1HH2  ARG  12          2HH1      ARG  12  -6.452   2.314   6.189
  104   2HH2  ARG  12          1HH1      ARG  12  -5.091   2.079   7.305
  105    HA   PRO  13           HA       PRO  13  -6.126  -0.155   0.428
  106   1HB   PRO  13          1HB       PRO  13  -7.264   2.378   0.252
  107   2HB   PRO  13          2HB       PRO  13  -7.984   0.873  -0.381
  108   1HG   PRO  13          1HG       PRO  13  -8.516   2.176   2.314
  109   2HG   PRO  13          2HG       PRO  13  -9.709   1.575   1.105
  110   1HD   PRO  13          1HD       PRO  13  -9.106  -0.005   3.142
  111   2HD   PRO  13          2HD       PRO  13  -9.011  -0.693   1.478
  112    H    VAL  14           H        VAL  14  -4.274   0.430   0.444
  113    HA   VAL  14           HA       VAL  14  -3.090   2.592   2.178
  114    HB   VAL  14           HB       VAL  14  -2.443  -0.360   1.988
  115   1HG1  VAL  14          1HG1      VAL  14  -0.332  -0.065   3.112
  116   2HG1  VAL  14          2HG1      VAL  14  -0.283   0.642   1.510
  117   3HG1  VAL  14          3HG1      VAL  14  -0.446   1.715   2.918
  118   1HG2  VAL  14          1HG2      VAL  14  -2.165   0.034   4.491
  119   2HG2  VAL  14          2HG2      VAL  14  -2.733   1.669   4.231
  120   3HG2  VAL  14          3HG2      VAL  14  -3.803   0.311   3.867
  121    H    LEU  15           H        LEU  15  -1.410   3.749   1.366
  122    HA   LEU  15           HA       LEU  15  -0.470   3.156  -1.413
  123   1HB   LEU  15          1HB       LEU  15  -2.274   4.731  -1.468
  124   2HB   LEU  15          2HB       LEU  15  -1.570   5.736  -0.219
  125    HG   LEU  15           HG       LEU  15   0.014   5.342  -2.760
  126   1HD1  LEU  15          1HD1      LEU  15  -2.247   5.791  -3.591
  127   2HD1  LEU  15          2HD1      LEU  15  -2.395   7.188  -2.505
  128   3HD1  LEU  15          3HD1      LEU  15  -1.213   7.201  -3.835
  129   1HD2  LEU  15          1HD2      LEU  15   0.881   6.781  -0.848
  130   2HD2  LEU  15          2HD2      LEU  15   0.678   7.652  -2.371
  131   3HD2  LEU  15          3HD2      LEU  15  -0.520   7.832  -1.076
  132    H    SER  16           H        SER  16   1.551   4.112  -1.949
  133    HA   SER  16           HA       SER  16   3.223   5.271   0.207
  134   1HB   SER  16          1HB       SER  16   4.058   3.083   0.253
  135   2HB   SER  16          2HB       SER  16   4.044   2.937  -1.506
  136    HG   SER  16           HG       SER  16   6.117   3.383  -0.869
  137    HA   PRO  17           HA       PRO  17   3.371   8.364  -3.043
  138   1HB   PRO  17          1HB       PRO  17   5.896   9.140  -1.570
  139   2HB   PRO  17          2HB       PRO  17   4.591  10.196  -2.202
  140   1HG   PRO  17          1HG       PRO  17   4.646   9.565   0.417
  141   2HG   PRO  17          2HG       PRO  17   3.091   9.487  -0.474
  142   1HD   PRO  17          1HD       PRO  17   4.942   7.207   0.254
  143   2HD   PRO  17          2HD       PRO  17   3.159   7.320   0.365
  144    H    LYS  18           H        LYS  18   5.796   5.991  -2.731
  145    HA   LYS  18           HA       LYS  18   7.527   6.854  -4.981
  146   1HB   LYS  18          1HB       LYS  18   7.340   4.286  -3.347
  147   2HB   LYS  18          2HB       LYS  18   8.353   4.456  -4.771
  148   1HG   LYS  18          1HG       LYS  18   9.781   4.812  -2.974
  149   2HG   LYS  18          2HG       LYS  18   9.538   6.389  -3.697
  150   1HD   LYS  18          1HD       LYS  18   8.246   7.179  -1.892
  151   2HD   LYS  18          2HD       LYS  18   7.838   5.557  -1.318
  152   1HE   LYS  18          1HE       LYS  18  10.712   6.505  -1.368
  153   2HE   LYS  18          2HE       LYS  18   9.651   6.966  -0.032
  154   1HZ   LYS  18          1HZ       LYS  18   9.951   4.117  -0.815
  155   2HZ   LYS  18          2HZ       LYS  18  10.957   4.817   0.287
  156   3HZ   LYS  18          3HZ       LYS  18   9.356   4.699   0.558
  157    H    SER  19           H        SER  19   5.191   4.170  -4.463
  158    HA   SER  19           HA       SER  19   4.974   3.546  -7.289
  159   1HB   SER  19          1HB       SER  19   3.324   2.649  -4.887
  160   2HB   SER  19          2HB       SER  19   3.340   1.904  -6.496
  161    HG   SER  19           HG       SER  19   4.721   0.879  -4.902
  162    H    ARG  20           H        ARG  20   3.076   5.312  -4.899
  163    HA   ARG  20           HA       ARG  20   1.094   6.409  -4.842
  164   1HB   ARG  20          1HB       ARG  20   1.783   7.104  -7.717
  165   2HB   ARG  20          2HB       ARG  20   0.521   7.891  -6.762
  166   1HG   ARG  20          1HG       ARG  20   2.142   8.605  -5.083
  167   2HG   ARG  20          2HG       ARG  20   3.443   7.774  -5.945
  168   1HD   ARG  20          1HD       ARG  20   1.828  10.104  -7.040
  169   2HD   ARG  20          2HD       ARG  20   3.423  10.238  -6.311
  170    HE   ARG  20           HE       ARG  20   2.806   9.386  -9.009
  171   1HH1  ARG  20          2HH2      ARG  20   5.271   8.873  -6.524
  172   2HH1  ARG  20          1HH2      ARG  20   6.440   8.410  -7.725
  173   1HH2  ARG  20          2HH1      ARG  20   4.375   8.807 -10.429
  174   2HH2  ARG  20          1HH1      ARG  20   5.973   8.430  -9.852
  175    H    THR  21           H        THR  21   1.138   3.538  -6.134
  176    HA   THR  21           HA       THR  21  -1.542   3.210  -7.210
  177    HB   THR  21           HB       THR  21  -0.924   0.813  -6.933
  178    HG1  THR  21           1HG      THR  21   1.130   0.325  -6.171
  179   1HG2  THR  21          1HG2      THR  21   0.908   0.674  -8.505
  180   2HG2  THR  21          2HG2      THR  21  -0.079   2.077  -8.968
  181   3HG2  THR  21          3HG2      THR  21   1.462   2.310  -8.100
  182    H    ILE  22           H        ILE  22  -2.949   1.449  -5.911
  183    HA   ILE  22           HA       ILE  22  -2.739   1.931  -2.974
  184    HB   ILE  22           HB       ILE  22  -5.312   1.674  -4.514
  185   1HG1  ILE  22          1HG1      ILE  22  -4.158   4.080  -3.019
  186   2HG1  ILE  22          2HG1      ILE  22  -4.251   3.929  -4.774
  187   1HG2  ILE  22          1HG2      ILE  22  -6.404   1.998  -2.322
  188   2HG2  ILE  22          2HG2      ILE  22  -5.358   0.591  -2.258
  189   3HG2  ILE  22          3HG2      ILE  22  -4.814   2.123  -1.537
  190   1HD1  ILE  22          1HD1      ILE  22  -6.608   4.179  -2.878
  191   2HD1  ILE  22          2HD1      ILE  22  -6.050   5.329  -4.097
  192   3HD1  ILE  22          3HD1      ILE  22  -6.750   3.783  -4.609
  193    H    PHE  23           H        PHE  23  -2.239   0.185  -2.021
  194    HA   PHE  23           HA       PHE  23  -3.151  -2.475  -2.981
  195   1HB   PHE  23          1HB       PHE  23  -0.979  -3.168  -1.451
  196   2HB   PHE  23          2HB       PHE  23  -0.970  -3.059  -3.195
  197    HD1  PHE  23           1HD      PHE  23   0.815  -1.928  -4.113
  198    HD2  PHE  23           2HD      PHE  23  -0.500  -0.905  -0.218
  199    HE1  PHE  23           1HE      PHE  23   2.399  -0.019  -4.147
  200    HE2  PHE  23           2HE      PHE  23   1.078   1.102  -0.214
  201    HZ   PHE  23           HZ       PHE  23   2.516   1.512  -2.191
  202    H    GLU  24           H        GLU  24  -3.032  -4.110  -1.257
  203    HA   GLU  24           HA       GLU  24  -4.695  -3.079   0.901
  204   1HB   GLU  24          1HB       GLU  24  -5.592  -4.950   0.067
  205   2HB   GLU  24          2HB       GLU  24  -4.114  -5.848  -0.002
  206   1HG   GLU  24          1HG       GLU  24  -4.055  -6.092   2.430
  207   2HG   GLU  24          2HG       GLU  24  -5.435  -4.997   2.605
  208    H    LYS  25           H        LYS  25  -3.949  -2.745   3.058
  209    HA   LYS  25           HA       LYS  25  -1.368  -2.174   3.766
  210   1HB   LYS  25          1HB       LYS  25  -3.458  -1.684   5.087
  211   2HB   LYS  25          2HB       LYS  25  -3.496  -3.359   5.614
  212   1HG   LYS  25          1HG       LYS  25  -1.350  -3.136   6.757
  213   2HG   LYS  25          2HG       LYS  25  -1.111  -1.512   6.083
  214   1HD   LYS  25          1HD       LYS  25  -3.099  -0.709   7.295
  215   2HD   LYS  25          2HD       LYS  25  -3.349  -2.304   8.010
  216   1HE   LYS  25          1HE       LYS  25  -0.793  -0.665   8.360
  217   2HE   LYS  25          2HE       LYS  25  -2.175  -0.550   9.449
  218   1HZ   LYS  25          1HZ       LYS  25  -1.912  -2.957   9.898
  219   2HZ   LYS  25          2HZ       LYS  25  -0.535  -3.010   9.011
  220   3HZ   LYS  25          3HZ       LYS  25  -0.605  -2.100  10.347
  221    H    SER  26           H        SER  26  -3.097  -5.211   4.191
  222    HA   SER  26           HA       SER  26  -1.153  -6.487   5.665
  223   1HB   SER  26          1HB       SER  26  -3.171  -7.849   3.845
  224   2HB   SER  26          2HB       SER  26  -2.343  -8.589   5.229
  225    HG   SER  26           HG       SER  26  -4.401  -7.835   5.845
  226    H    LEU  27           H        LEU  27  -1.391  -6.224   2.174
  227    HA   LEU  27           HA       LEU  27   0.581  -8.300   1.538
  228   1HB   LEU  27          1HB       LEU  27  -0.103  -6.067  -0.347
  229   2HB   LEU  27          2HB       LEU  27   0.263  -7.755  -0.678
  230    HG   LEU  27           HG       LEU  27  -2.326  -6.767   0.487
  231   1HD1  LEU  27          1HD1      LEU  27  -3.212  -7.017  -1.778
  232   2HD1  LEU  27          2HD1      LEU  27  -1.884  -5.840  -1.705
  233   3HD1  LEU  27          3HD1      LEU  27  -1.584  -7.469  -2.345
  234   1HD2  LEU  27          1HD2      LEU  27  -1.940  -9.122   1.004
  235   2HD2  LEU  27          2HD2      LEU  27  -3.246  -8.935  -0.173
  236   3HD2  LEU  27          3HD2      LEU  27  -1.629  -9.465  -0.712
  237    H    LEU  28           H        LEU  28   0.467  -4.740   1.754
  238    HA   LEU  28           HA       LEU  28   3.163  -4.300   0.847
  239   1HB   LEU  28          1HB       LEU  28   1.374  -2.531   0.931
  240   2HB   LEU  28          2HB       LEU  28   1.565  -2.493   2.686
  241    HG   LEU  28           HG       LEU  28   4.095  -2.020   2.244
  242   1HD1  LEU  28          1HD1      LEU  28   4.268  -2.645  -0.088
  243   2HD1  LEU  28          2HD1      LEU  28   2.965  -1.522  -0.544
  244   3HD1  LEU  28          3HD1      LEU  28   4.524  -0.908   0.030
  245   1HD2  LEU  28          1HD2      LEU  28   1.987  -0.004   1.448
  246   2HD2  LEU  28          2HD2      LEU  28   2.579  -0.338   3.084
  247   3HD2  LEU  28          3HD2      LEU  28   3.661   0.382   1.881
  248    H    GLU  29           H        GLU  29   1.682  -4.590   4.076
  249    HA   GLU  29           HA       GLU  29   3.949  -4.335   5.733
  250   1HB   GLU  29          1HB       GLU  29   1.548  -4.332   6.383
  251   2HB   GLU  29          2HB       GLU  29   1.507  -6.092   6.183
  252   1HG   GLU  29          1HG       GLU  29   3.208  -6.325   7.959
  253   2HG   GLU  29          2HG       GLU  29   3.339  -4.567   8.094
  254    H    GLN  30           H        GLN  30   2.667  -7.261   4.112
  255    HA   GLN  30           HA       GLN  30   4.629  -9.105   5.126
  256   1HB   GLN  30          1HB       GLN  30   2.475  -9.615   3.841
  257   2HB   GLN  30          2HB       GLN  30   3.348  -9.224   2.365
  258   1HG   GLN  30          1HG       GLN  30   5.039 -10.984   2.910
  259   2HG   GLN  30          2HG       GLN  30   4.130 -11.380   4.375
  260   1HE2  GLN  30          1HE2      GLN  30   4.294 -11.807   0.877
  261   2HE2  GLN  30          2HE2      GLN  30   2.888 -12.860   0.790
  262    H    TYR  31           H        TYR  31   4.595  -7.065   2.202
  263    HA   TYR  31           HA       TYR  31   7.043  -8.101   1.072
  264   1HB   TYR  31          1HB       TYR  31   5.125  -7.130  -0.185
  265   2HB   TYR  31          2HB       TYR  31   5.485  -5.554   0.504
  266    HD1  TYR  31           1HD      TYR  31   7.370  -8.301  -1.254
  267    HD2  TYR  31           2HD      TYR  31   6.581  -4.088  -0.951
  268    HE1  TYR  31           1HE      TYR  31   8.780  -7.862  -3.309
  269    HE2  TYR  31           2HE      TYR  31   8.119  -3.686  -2.868
  270    HH   TYR  31           HH       TYR  31   9.694  -6.306  -4.676
  271    H    VAL  32           H        VAL  32   6.262  -5.340   3.080
  272    HA   VAL  32           HA       VAL  32   8.888  -4.224   2.844
  273    HB   VAL  32           HB       VAL  32   6.633  -3.048   3.148
  274   1HG1  VAL  32          1HG1      VAL  32   7.215  -3.266   6.136
  275   2HG1  VAL  32          2HG1      VAL  32   5.806  -2.535   5.330
  276   3HG1  VAL  32          3HG1      VAL  32   6.053  -4.280   5.277
  277   1HG2  VAL  32          1HG2      VAL  32   8.992  -2.079   4.837
  278   2HG2  VAL  32          2HG2      VAL  32   8.607  -1.674   3.136
  279   3HG2  VAL  32          3HG2      VAL  32   7.560  -1.123   4.443
  280    H    LYS  33           H        LYS  33   7.489  -6.436   4.978
  281    HA   LYS  33           HA       LYS  33   9.717  -6.433   6.982
  282   1HB   LYS  33          1HB       LYS  33   7.332  -8.292   6.556
  283   2HB   LYS  33          2HB       LYS  33   8.564  -8.527   7.813
  284   1HG   LYS  33          1HG       LYS  33   8.057  -6.363   8.810
  285   2HG   LYS  33          2HG       LYS  33   6.963  -5.971   7.486
  286   1HD   LYS  33          1HD       LYS  33   5.632  -6.589   9.393
  287   2HD   LYS  33          2HD       LYS  33   5.465  -7.853   8.164
  288   1HE   LYS  33          1HE       LYS  33   7.133  -9.247   9.376
  289   2HE   LYS  33          2HE       LYS  33   7.328  -7.970  10.584
  290   1HZ   LYS  33          1HZ       LYS  33   4.798  -9.441  10.057
  291   2HZ   LYS  33          2HZ       LYS  33   5.777  -9.682  11.339
  292   3HZ   LYS  33          3HZ       LYS  33   4.984  -8.265  11.180
  293    H    ASP  34           H        ASP  34   8.891  -7.850   4.073
  294    HA   ASP  34           HA       ASP  34  10.745 -10.134   4.021
  295   1HB   ASP  34          1HB       ASP  34   8.726  -9.001   2.254
  296   2HB   ASP  34          2HB       ASP  34  10.165  -9.281   1.333
  297    H    THR  35           H        THR  35  10.728  -7.036   2.269
  298    HA   THR  35           HA       THR  35  13.749  -7.004   2.173
  299    HB   THR  35           HB       THR  35  13.620  -6.086  -0.092
  300    HG1  THR  35           1HG      THR  35  10.875  -6.796  -0.030
  301   1HG2  THR  35          1HG2      THR  35  12.130  -8.742   0.030
  302   2HG2  THR  35          2HG2      THR  35  13.026  -8.075  -1.348
  303   3HG2  THR  35          3HG2      THR  35  13.894  -8.539   0.130
  304    H    GLY  36           H        GLY  36  10.760  -5.279   2.599
  305   1HA   GLY  36          1HA       GLY  36  10.485  -3.142   3.516
  306   2HA   GLY  36          2HA       GLY  36  12.166  -2.756   3.231
  307    H    ASN  37           H        ASN  37  11.405  -4.039   0.323
  308    HA   ASN  37           HA       ASN  37  11.621  -1.509  -0.949
  309   1HB   ASN  37          1HB       ASN  37  10.836  -4.273  -1.945
  310   2HB   ASN  37          2HB       ASN  37  11.164  -2.923  -3.000
  311   1HD2  ASN  37          1HD2      ASN  37  12.634  -5.180  -3.348
  312   2HD2  ASN  37          2HD2      ASN  37  14.278  -4.859  -2.816
  313    H    ASP  38           H        ASP  38  10.263  -0.306  -2.221
  314    HA   ASP  38           HA       ASP  38   7.345  -0.473  -1.915
  315   1HB   ASP  38          1HB       ASP  38   9.205   1.251  -3.593
  316   2HB   ASP  38          2HB       ASP  38   7.451   1.336  -3.737
  317    HA   PRO  39           HA       PRO  39   7.108  -3.727  -4.904
  318   1HB   PRO  39          1HB       PRO  39   4.460  -3.743  -5.617
  319   2HB   PRO  39          2HB       PRO  39   5.094  -4.218  -4.011
  320   1HG   PRO  39          1HG       PRO  39   4.020  -1.511  -4.850
  321   2HG   PRO  39          2HG       PRO  39   3.505  -2.495  -3.443
  322   1HD   PRO  39          1HD       PRO  39   5.314  -0.528  -3.119
  323   2HD   PRO  39          2HD       PRO  39   5.569  -2.105  -2.309
  324    H    ILE  40           H        ILE  40   6.985  -0.588  -6.098
  325    HA   ILE  40           HA       ILE  40   6.736  -1.503  -8.964
  326    HB   ILE  40           HB       ILE  40   6.064   1.218  -7.803
  327   1HG1  ILE  40          1HG1      ILE  40   4.264  -0.360  -7.340
  328   2HG1  ILE  40          2HG1      ILE  40   3.777   0.815  -8.548
  329   1HG2  ILE  40          1HG2      ILE  40   5.289   1.758 -10.134
  330   2HG2  ILE  40          2HG2      ILE  40   7.035   1.595  -9.961
  331   3HG2  ILE  40          3HG2      ILE  40   6.104   0.280 -10.695
  332   1HD1  ILE  40          1HD1      ILE  40   4.537  -2.090  -9.066
  333   2HD1  ILE  40          2HD1      ILE  40   2.921  -1.362  -9.155
  334   3HD1  ILE  40          3HD1      ILE  40   4.152  -0.909 -10.340
  335    H    THR  41           H        THR  41   8.315   0.900  -6.866
  336    HA   THR  41           HA       THR  41  10.457   1.356  -8.837
  337    HB   THR  41           HB       THR  41  11.294   3.047  -7.254
  338    HG1  THR  41           1HG      THR  41   8.927   2.326  -5.929
  339   1HG2  THR  41          1HG2      THR  41   8.307   3.303  -7.876
  340   2HG2  THR  41          2HG2      THR  41   9.422   4.619  -7.463
  341   3HG2  THR  41          3HG2      THR  41   9.642   3.718  -8.973
  342    H    ASN  42           H        ASN  42  10.008  -0.731  -6.191
  343    HA   ASN  42           HA       ASN  42  11.162  -1.823  -4.731
  344   1HB   ASN  42          1HB       ASN  42  12.446  -3.400  -5.481
  345   2HB   ASN  42          2HB       ASN  42  11.989  -2.779  -7.058
  346   1HD2  ASN  42          1HD2      ASN  42  13.779  -0.589  -7.368
  347   2HD2  ASN  42          2HD2      ASN  42  15.409  -1.269  -7.371
  348    H    GLU  43           H        GLU  43  11.480   1.086  -4.619
  349    HA   GLU  43           HA       GLU  43  14.067   1.729  -3.559
  350   1HB   GLU  43          1HB       GLU  43  11.306   2.902  -3.207
  351   2HB   GLU  43          2HB       GLU  43  12.747   3.629  -2.490
  352   1HG   GLU  43          1HG       GLU  43  12.909   2.977  -5.428
  353   2HG   GLU  43          2HG       GLU  43  11.762   4.202  -4.958
  354    HA   PRO  44           HA       PRO  44  13.732  -0.716   0.228
  355   1HB   PRO  44          1HB       PRO  44  15.924   1.173   1.103
  356   2HB   PRO  44          2HB       PRO  44  15.808  -0.604   1.314
  357   1HG   PRO  44          1HG       PRO  44  17.350   0.427  -0.652
  358   2HG   PRO  44          2HG       PRO  44  16.290  -0.977  -1.001
  359   1HD   PRO  44          1HD       PRO  44  15.789   1.948  -1.615
  360   2HD   PRO  44          2HD       PRO  44  15.549   0.507  -2.651
  361    H    LEU  45           H        LEU  45  12.265  -0.487   1.682
  362    HA   LEU  45           HA       LEU  45  11.096   0.054   3.488
  363   1HB   LEU  45          1HB       LEU  45  12.895   2.441   3.813
  364   2HB   LEU  45          2HB       LEU  45  11.498   2.166   4.836
  365    HG   LEU  45           HG       LEU  45  13.543  -0.052   4.448
  366   1HD1  LEU  45          1HD1      LEU  45  14.792   1.941   5.201
  367   2HD1  LEU  45          2HD1      LEU  45  13.638   2.173   6.535
  368   3HD1  LEU  45          3HD1      LEU  45  14.676   0.730   6.491
  369   1HD2  LEU  45          1HD2      LEU  45  12.763  -0.742   6.673
  370   2HD2  LEU  45          2HD2      LEU  45  11.642   0.631   6.728
  371   3HD2  LEU  45          3HD2      LEU  45  11.413  -0.670   5.540
  372    H    SER  46           H        SER  46   9.148   0.767   3.767
  373    HA   SER  46           HA       SER  46   7.903   2.507   1.697
  374   1HB   SER  46          1HB       SER  46   7.924   0.002   1.143
  375   2HB   SER  46          2HB       SER  46   6.773  -0.187   2.455
  376    HG   SER  46           HG       SER  46   6.494   1.389   0.107
  377    H    ILE  47           H        ILE  47   7.251   0.500   4.506
  378    HA   ILE  47           HA       ILE  47   5.173   1.892   5.669
  379    HB   ILE  47           HB       ILE  47   6.090  -0.385   6.276
  380   1HG1  ILE  47          1HG1      ILE  47   5.652  -0.284   8.745
  381   2HG1  ILE  47          2HG1      ILE  47   5.503   1.467   8.613
  382   1HG2  ILE  47          1HG2      ILE  47   7.868  -0.654   7.878
  383   2HG2  ILE  47          2HG2      ILE  47   8.491   0.276   6.516
  384   3HG2  ILE  47          3HG2      ILE  47   8.076   1.099   8.037
  385   1HD1  ILE  47          1HD1      ILE  47   3.303   0.296   8.521
  386   2HD1  ILE  47          2HD1      ILE  47   3.636   1.184   7.027
  387   3HD1  ILE  47          3HD1      ILE  47   3.842  -0.575   7.064
  388    H    GLU  48           H        GLU  48   8.477   2.757   5.818
  389    HA   GLU  48           HA       GLU  48   8.280   4.878   7.794
  390   1HB   GLU  48          1HB       GLU  48  10.301   4.321   5.584
  391   2HB   GLU  48          2HB       GLU  48  10.487   5.579   6.804
  392   1HG   GLU  48          1HG       GLU  48  10.306   2.592   7.404
  393   2HG   GLU  48          2HG       GLU  48  11.787   3.530   7.302
  394    H    GLU  49           H        GLU  49   6.994   4.517   4.721
  395    HA   GLU  49           HA       GLU  49   6.644   7.468   4.391
  396   1HB   GLU  49          1HB       GLU  49   8.390   6.165   2.810
  397   2HB   GLU  49          2HB       GLU  49   6.921   5.685   1.973
  398   1HG   GLU  49          1HG       GLU  49   7.727   7.610   0.852
  399   2HG   GLU  49          2HG       GLU  49   6.353   8.187   1.778
  400    H    ILE  50           H        ILE  50   5.045   4.845   5.153
  401    HA   ILE  50           HA       ILE  50   3.032   4.508   3.280
  402    HB   ILE  50           HB       ILE  50   3.573   3.010   5.154
  403   1HG1  ILE  50          1HG1      ILE  50   0.590   3.527   4.985
  404   2HG1  ILE  50          2HG1      ILE  50   1.538   2.849   3.656
  405   1HG2  ILE  50          1HG2      ILE  50   1.660   4.669   6.856
  406   2HG2  ILE  50          2HG2      ILE  50   2.586   3.248   7.355
  407   3HG2  ILE  50          3HG2      ILE  50   3.427   4.758   7.006
  408   1HD1  ILE  50          1HD1      ILE  50   1.314   1.593   6.423
  409   2HD1  ILE  50          2HD1      ILE  50   0.458   1.075   4.976
  410   3HD1  ILE  50          3HD1      ILE  50   2.225   0.953   5.029
  411    H    VAL  51           H        VAL  51   1.192   5.198   2.822
  412    HA   VAL  51           HA       VAL  51  -0.236   7.354   4.360
  413    HB   VAL  51           HB       VAL  51  -0.176   7.064   1.334
  414   1HG1  VAL  51          1HG1      VAL  51  -2.374   7.881   2.124
  415   2HG1  VAL  51          2HG1      VAL  51  -1.571   9.112   3.120
  416   3HG1  VAL  51          3HG1      VAL  51  -1.473   9.183   1.346
  417   1HG2  VAL  51          1HG2      VAL  51   0.918   9.278   1.359
  418   2HG2  VAL  51          2HG2      VAL  51   0.969   9.243   3.136
  419   3HG2  VAL  51          3HG2      VAL  51   1.912   8.080   2.182
  420    H    GLU  52           H        GLU  52  -1.421   5.793   5.535
  421    HA   GLU  52           HA       GLU  52  -2.962   3.760   4.076
  422   1HB   GLU  52          1HB       GLU  52  -3.491   4.647   6.925
  423   2HB   GLU  52          2HB       GLU  52  -3.983   3.173   6.074
  424   1HG   GLU  52          1HG       GLU  52  -1.608   2.430   6.015
  425   2HG   GLU  52          2HG       GLU  52  -1.166   3.864   6.950
  426    H    ILE  53           H        ILE  53  -5.056   3.799   3.462
  427    HA   ILE  53           HA       ILE  53  -6.671   6.290   3.826
  428    HB   ILE  53           HB       ILE  53  -7.010   4.029   1.817
  429   1HG1  ILE  53          1HG1      ILE  53  -6.533   6.213   0.266
  430   2HG1  ILE  53          2HG1      ILE  53  -5.558   6.663   1.654
  431   1HG2  ILE  53          1HG2      ILE  53  -8.489   6.676   2.089
  432   2HG2  ILE  53          2HG2      ILE  53  -8.629   5.559   0.713
  433   3HG2  ILE  53          3HG2      ILE  53  -9.170   5.036   2.295
  434   1HD1  ILE  53          1HD1      ILE  53  -4.270   4.523   1.383
  435   2HD1  ILE  53          2HD1      ILE  53  -5.325   4.085   0.022
  436   3HD1  ILE  53          3HD1      ILE  53  -4.258   5.499  -0.092
  437    H    VAL  54           H        VAL  54  -8.881   6.025   4.477
  438    HA   VAL  54           HA       VAL  54  -9.586   3.499   5.870
  439    HB   VAL  54           HB       VAL  54 -10.495   4.858   7.777
  440   1HG1  VAL  54          1HG1      VAL  54  -8.372   5.046   8.943
  441   2HG1  VAL  54          2HG1      VAL  54  -8.393   3.580   7.952
  442   3HG1  VAL  54          3HG1      VAL  54  -7.480   5.007   7.410
  443   1HG2  VAL  54          1HG2      VAL  54 -10.481   7.110   6.689
  444   2HG2  VAL  54          2HG2      VAL  54  -9.619   7.074   8.231
  445   3HG2  VAL  54          3HG2      VAL  54  -8.705   7.089   6.714
  446    HA   PRO  55           HA       PRO  55 -13.529   3.777   4.009
  447   1HB   PRO  55          1HB       PRO  55 -14.724   3.330   6.753
  448   2HB   PRO  55          2HB       PRO  55 -15.125   2.524   5.204
  449   1HG   PRO  55          1HG       PRO  55 -13.534   1.278   6.997
  450   2HG   PRO  55          2HG       PRO  55 -13.090   1.261   5.254
  451   1HD   PRO  55          1HD       PRO  55 -11.997   3.023   7.458
  452   2HD   PRO  55          2HD       PRO  55 -11.134   2.157   6.155
  453    H    SER  56           H        SER  56 -13.263   5.705   6.997
  454    HA   SER  56           HA       SER  56 -15.475   7.506   6.476
  455   1HB   SER  56          1HB       SER  56 -14.426   8.862   8.267
  456   2HB   SER  56          2HB       SER  56 -14.664   7.168   8.734
  457    HG   SER  56           HG       SER  56 -12.570   7.949   9.297
  Start of MODEL   10
    1    H    MET   1           H        MET   1  -7.109   2.447  -8.027
    2    HA   MET   1           HA       MET   1  -7.196   1.745  -5.721
    3   1HB   MET   1          1HB       MET   1  -9.359   2.424  -6.804
    4   2HB   MET   1          2HB       MET   1  -9.717   0.720  -7.088
    5   1HG   MET   1          1HG       MET   1 -10.908   1.595  -5.144
    6   2HG   MET   1          2HG       MET   1  -9.807   0.313  -4.673
    7   1HE   MET   1          1HE       MET   1  -9.969   0.886  -2.128
    8   2HE   MET   1          2HE       MET   1  -9.841   2.535  -1.474
    9   3HE   MET   1          3HE       MET   1 -11.188   2.108  -2.549
   10    H    LEU   2           H        LEU   2  -6.709  -0.733  -7.899
   11    HA   LEU   2           HA       LEU   2  -6.884  -2.873  -5.838
   12   1HB   LEU   2          1HB       LEU   2  -7.034  -4.495  -7.493
   13   2HB   LEU   2          2HB       LEU   2  -8.123  -3.226  -8.012
   14    HG   LEU   2           HG       LEU   2  -5.331  -3.790  -9.142
   15   1HD1  LEU   2          1HD1      LEU   2  -7.030  -5.490  -9.716
   16   2HD1  LEU   2          2HD1      LEU   2  -8.103  -4.218 -10.332
   17   3HD1  LEU   2          3HD1      LEU   2  -6.552  -4.544 -11.131
   18   1HD2  LEU   2          1HD2      LEU   2  -6.022  -2.234 -10.990
   19   2HD2  LEU   2          2HD2      LEU   2  -7.437  -1.758 -10.024
   20   3HD2  LEU   2          3HD2      LEU   2  -5.783  -1.414  -9.454
   21    H    CYS   3           H        CYS   3  -5.247  -4.168  -5.208
   22    HA   CYS   3           HA       CYS   3  -2.972  -2.800  -4.848
   23   1HB   CYS   3          1HB       CYS   3  -3.142  -5.812  -4.446
   24   2HB   CYS   3          2HB       CYS   3  -2.354  -4.636  -3.478
   25    HG   CYS   3           HG       CYS   3  -4.565  -6.138  -2.765
   26    H    ALA   4           H        ALA   4  -0.848  -2.908  -5.197
   27    HA   ALA   4           HA       ALA   4   0.023  -3.467  -7.924
   28   1HB   ALA   4          1HB       ALA   4   1.817  -3.164  -5.485
   29   2HB   ALA   4          2HB       ALA   4   2.243  -2.949  -7.183
   30   3HB   ALA   4          3HB       ALA   4   1.141  -1.815  -6.403
   31    H    ILE   5           H        ILE   5   0.168  -5.064  -4.833
   32    HA   ILE   5           HA       ILE   5   2.161  -7.073  -5.481
   33    HB   ILE   5           HB       ILE   5   0.545  -6.345  -3.018
   34   1HG1  ILE   5          1HG1      ILE   5   3.539  -6.221  -3.584
   35   2HG1  ILE   5          2HG1      ILE   5   2.432  -4.884  -3.887
   36   1HG2  ILE   5          1HG2      ILE   5   2.650  -8.578  -3.393
   37   2HG2  ILE   5          2HG2      ILE   5   2.091  -8.015  -1.813
   38   3HG2  ILE   5          3HG2      ILE   5   0.962  -8.819  -2.902
   39   1HD1  ILE   5          1HD1      ILE   5   3.040  -6.086  -1.188
   40   2HD1  ILE   5          2HD1      ILE   5   3.504  -4.495  -1.787
   41   3HD1  ILE   5          3HD1      ILE   5   1.791  -4.848  -1.487
   42    H    SER   6           H        SER   6  -1.301  -7.398  -4.546
   43    HA   SER   6           HA       SER   6  -1.330  -9.975  -6.068
   44   1HB   SER   6          1HB       SER   6  -2.925  -9.466  -3.571
   45   2HB   SER   6          2HB       SER   6  -2.914 -10.937  -4.544
   46    HG   SER   6           HG       SER   6  -0.703 -11.205  -4.054
   47    H    GLY   7           H        GLY   7  -2.740  -6.893  -6.044
   48   1HA   GLY   7          1HA       GLY   7  -4.250  -6.052  -7.625
   49   2HA   GLY   7          2HA       GLY   7  -4.264  -7.672  -8.317
   50    H    LYS   8           H        LYS   8  -5.000  -7.484  -5.117
   51    HA   LYS   8           HA       LYS   8  -7.724  -8.521  -5.327
   52   1HB   LYS   8          1HB       LYS   8  -6.040  -9.416  -3.831
   53   2HB   LYS   8          2HB       LYS   8  -5.717  -7.833  -3.130
   54   1HG   LYS   8          1HG       LYS   8  -7.937  -7.853  -2.066
   55   2HG   LYS   8          2HG       LYS   8  -8.321  -9.409  -2.838
   56   1HD   LYS   8          1HD       LYS   8  -6.353 -10.399  -1.639
   57   2HD   LYS   8          2HD       LYS   8  -6.093  -8.851  -0.826
   58   1HE   LYS   8          1HE       LYS   8  -8.615 -10.581  -0.649
   59   2HE   LYS   8          2HE       LYS   8  -7.354 -10.483   0.585
   60   1HZ   LYS   8          1HZ       LYS   8  -9.196  -9.035   1.148
   61   2HZ   LYS   8          2HZ       LYS   8  -7.871  -8.114   0.843
   62   3HZ   LYS   8          3HZ       LYS   8  -9.076  -8.209  -0.259
   63    H    VAL   9           H        VAL   9  -9.479  -7.628  -4.010
   64    HA   VAL   9           HA       VAL   9  -9.797  -4.682  -4.135
   65    HB   VAL   9           HB       VAL   9 -11.685  -6.828  -3.071
   66   1HG1  VAL   9          1HG1      VAL   9 -13.380  -5.015  -3.155
   67   2HG1  VAL   9          2HG1      VAL   9 -12.101  -4.631  -2.006
   68   3HG1  VAL   9          3HG1      VAL   9 -12.120  -3.845  -3.602
   69   1HG2  VAL   9          1HG2      VAL   9 -11.383  -6.990  -5.517
   70   2HG2  VAL   9          2HG2      VAL   9 -12.982  -6.348  -5.129
   71   3HG2  VAL   9          3HG2      VAL   9 -11.700  -5.249  -5.687
   72    HA   PRO  10           HA       PRO  10  -7.507  -5.064  -0.297
   73   1HB   PRO  10          1HB       PRO  10  -7.060  -2.452   0.344
   74   2HB   PRO  10          2HB       PRO  10  -6.227  -3.303  -0.986
   75   1HG   PRO  10          1HG       PRO  10  -8.676  -1.521  -1.190
   76   2HG   PRO  10          2HG       PRO  10  -7.172  -1.457  -2.165
   77   1HD   PRO  10          1HD       PRO  10  -9.396  -2.743  -3.053
   78   2HD   PRO  10          2HD       PRO  10  -7.760  -3.398  -3.356
   79    H    ARG  11           H        ARG  11  -8.225  -5.599   1.606
   80    HA   ARG  11           HA       ARG  11 -10.673  -4.744   2.892
   81   1HB   ARG  11          1HB       ARG  11  -9.101  -6.857   3.212
   82   2HB   ARG  11          2HB       ARG  11  -8.285  -5.868   4.406
   83   1HG   ARG  11          1HG       ARG  11 -11.240  -6.667   4.415
   84   2HG   ARG  11          2HG       ARG  11  -9.947  -7.455   5.303
   85   1HD   ARG  11          1HD       ARG  11 -10.848  -6.186   6.975
   86   2HD   ARG  11          2HD       ARG  11  -9.561  -5.129   6.428
   87    HE   ARG  11           HE       ARG  11 -11.147  -3.654   5.467
   88   1HH1  ARG  11          2HH2      ARG  11 -12.903  -6.409   6.745
   89   2HH1  ARG  11          1HH2      ARG  11 -14.435  -5.581   6.628
   90   1HH2  ARG  11          2HH1      ARG  11 -13.083  -2.681   5.355
   91   2HH2  ARG  11          1HH1      ARG  11 -14.527  -3.517   5.855
   92    H    ARG  12           H        ARG  12  -7.285  -3.814   3.352
   93    HA   ARG  12           HA       ARG  12  -8.171  -1.130   4.412
   94   1HB   ARG  12          1HB       ARG  12  -5.784  -2.787   5.283
   95   2HB   ARG  12          2HB       ARG  12  -5.943  -1.054   5.584
   96   1HG   ARG  12          1HG       ARG  12  -8.140  -1.541   6.776
   97   2HG   ARG  12          2HG       ARG  12  -7.777  -3.258   6.597
   98   1HD   ARG  12          1HD       ARG  12  -7.057  -2.638   8.786
   99   2HD   ARG  12          2HD       ARG  12  -5.605  -2.863   7.821
  100    HE   ARG  12           HE       ARG  12  -5.187  -0.504   7.865
  101   1HH1  ARG  12          2HH2      ARG  12  -8.206  -1.093   9.585
  102   2HH1  ARG  12          1HH2      ARG  12  -8.096   0.494  10.339
  103   1HH2  ARG  12          2HH1      ARG  12  -5.151   1.426   8.948
  104   2HH2  ARG  12          1HH1      ARG  12  -6.498   1.774  10.028
  105    HA   PRO  13           HA       PRO  13  -6.021  -0.296   0.422
  106   1HB   PRO  13          1HB       PRO  13  -7.257   2.226   0.123
  107   2HB   PRO  13          2HB       PRO  13  -7.760   0.683  -0.610
  108   1HG   PRO  13          1HG       PRO  13  -8.755   1.963   1.941
  109   2HG   PRO  13          2HG       PRO  13  -9.711   1.171   0.644
  110   1HD   PRO  13          1HD       PRO  13  -9.205  -0.240   2.835
  111   2HD   PRO  13          2HD       PRO  13  -8.856  -0.981   1.232
  112    H    VAL  14           H        VAL  14  -4.144   0.341   0.499
  113    HA   VAL  14           HA       VAL  14  -3.121   2.601   2.188
  114    HB   VAL  14           HB       VAL  14  -2.550  -0.330   2.281
  115   1HG1  VAL  14          1HG1      VAL  14  -0.378   0.348   1.458
  116   2HG1  VAL  14          2HG1      VAL  14  -0.270   1.629   2.682
  117   3HG1  VAL  14          3HG1      VAL  14  -0.293  -0.098   3.150
  118   1HG2  VAL  14          1HG2      VAL  14  -2.152   1.930   4.267
  119   2HG2  VAL  14          2HG2      VAL  14  -3.644   0.955   4.125
  120   3HG2  VAL  14          3HG2      VAL  14  -2.113   0.217   4.632
  121    H    LEU  15           H        LEU  15  -1.386   3.703   1.447
  122    HA   LEU  15           HA       LEU  15  -0.441   3.230  -1.347
  123   1HB   LEU  15          1HB       LEU  15  -2.206   4.872  -1.392
  124   2HB   LEU  15          2HB       LEU  15  -1.604   5.665   0.044
  125    HG   LEU  15           HG       LEU  15   0.390   6.482  -1.254
  126   1HD1  LEU  15          1HD1      LEU  15  -1.218   5.468  -3.639
  127   2HD1  LEU  15          2HD1      LEU  15   0.198   6.540  -3.717
  128   3HD1  LEU  15          3HD1      LEU  15   0.381   4.881  -3.143
  129   1HD2  LEU  15          1HD2      LEU  15  -0.857   8.233  -2.430
  130   2HD2  LEU  15          2HD2      LEU  15  -2.351   7.278  -2.282
  131   3HD2  LEU  15          3HD2      LEU  15  -1.536   7.909  -0.830
  132    H    SER  16           H        SER  16   1.558   4.058  -1.835
  133    HA   SER  16           HA       SER  16   3.257   5.339   0.209
  134   1HB   SER  16          1HB       SER  16   4.127   3.145   0.400
  135   2HB   SER  16          2HB       SER  16   4.032   2.854  -1.343
  136    HG   SER  16           HG       SER  16   6.135   3.347  -0.860
  137    HA   PRO  17           HA       PRO  17   3.122   7.903  -3.410
  138   1HB   PRO  17          1HB       PRO  17   4.897   9.892  -2.752
  139   2HB   PRO  17          2HB       PRO  17   3.300   9.688  -1.975
  140   1HG   PRO  17          1HG       PRO  17   5.991   8.711  -0.979
  141   2HG   PRO  17          2HG       PRO  17   4.739   9.621  -0.072
  142   1HD   PRO  17          1HD       PRO  17   4.941   6.921   0.109
  143   2HD   PRO  17          2HD       PRO  17   3.340   7.720   0.092
  144    H    LYS  18           H        LYS  18   5.783   5.991  -2.703
  145    HA   LYS  18           HA       LYS  18   7.582   6.824  -4.877
  146   1HB   LYS  18          1HB       LYS  18   7.576   4.423  -2.998
  147   2HB   LYS  18          2HB       LYS  18   8.781   4.719  -4.250
  148   1HG   LYS  18          1HG       LYS  18   9.902   5.652  -2.509
  149   2HG   LYS  18          2HG       LYS  18   9.064   7.066  -3.103
  150   1HD   LYS  18          1HD       LYS  18   8.884   7.149  -0.729
  151   2HD   LYS  18          2HD       LYS  18   7.292   6.645  -1.275
  152   1HE   LYS  18          1HE       LYS  18   7.830   5.331   0.624
  153   2HE   LYS  18          2HE       LYS  18   7.944   4.280  -0.786
  154   1HZ   LYS  18          1HZ       LYS  18   9.848   3.920   0.578
  155   2HZ   LYS  18          2HZ       LYS  18  10.348   4.646  -0.756
  156   3HZ   LYS  18          3HZ       LYS  18  10.216   5.532   0.653
  157    H    SER  19           H        SER  19   5.662   3.842  -4.293
  158    HA   SER  19           HA       SER  19   5.689   3.172  -7.169
  159   1HB   SER  19          1HB       SER  19   4.627   1.803  -4.692
  160   2HB   SER  19          2HB       SER  19   4.295   1.200  -6.331
  161    HG   SER  19           HG       SER  19   6.854   1.750  -5.225
  162    H    ARG  20           H        ARG  20   3.652   5.015  -5.176
  163    HA   ARG  20           HA       ARG  20   1.627   5.995  -5.425
  164   1HB   ARG  20          1HB       ARG  20   1.616   7.535  -7.219
  165   2HB   ARG  20          2HB       ARG  20   3.261   7.259  -6.681
  166   1HG   ARG  20          1HG       ARG  20   3.322   5.539  -8.743
  167   2HG   ARG  20          2HG       ARG  20   1.937   6.485  -9.283
  168   1HD   ARG  20          1HD       ARG  20   3.847   7.448 -10.295
  169   2HD   ARG  20          2HD       ARG  20   3.396   8.560  -8.990
  170    HE   ARG  20           HE       ARG  20   5.305   6.662  -7.977
  171   1HH1  ARG  20          2HH2      ARG  20   5.345   9.392 -10.172
  172   2HH1  ARG  20          1HH2      ARG  20   7.051   9.658  -9.915
  173   1HH2  ARG  20          2HH1      ARG  20   7.363   7.006  -7.726
  174   2HH2  ARG  20          1HH1      ARG  20   8.192   8.331  -8.533
  175    H    THR  21           H        THR  21   1.035   3.424  -5.521
  176    HA   THR  21           HA       THR  21  -1.576   3.496  -6.927
  177    HB   THR  21           HB       THR  21  -0.118   1.975  -8.290
  178    HG1  THR  21           1HG      THR  21  -1.560   0.294  -8.271
  179   1HG2  THR  21          1HG2      THR  21   1.353   1.179  -6.444
  180   2HG2  THR  21          2HG2      THR  21  -0.019   0.214  -5.834
  181   3HG2  THR  21          3HG2      THR  21   0.638  -0.074  -7.470
  182    H    ILE  22           H        ILE  22  -3.001   1.554  -5.864
  183    HA   ILE  22           HA       ILE  22  -2.651   1.905  -2.910
  184    HB   ILE  22           HB       ILE  22  -5.241   1.740  -4.441
  185   1HG1  ILE  22          1HG1      ILE  22  -3.981   4.092  -2.941
  186   2HG1  ILE  22          2HG1      ILE  22  -4.060   3.946  -4.694
  187   1HG2  ILE  22          1HG2      ILE  22  -4.729   2.188  -1.467
  188   2HG2  ILE  22          2HG2      ILE  22  -6.317   2.109  -2.261
  189   3HG2  ILE  22          3HG2      ILE  22  -5.321   0.669  -2.178
  190   1HD1  ILE  22          1HD1      ILE  22  -6.543   3.966  -4.597
  191   2HD1  ILE  22          2HD1      ILE  22  -6.441   4.279  -2.842
  192   3HD1  ILE  22          3HD1      ILE  22  -5.780   5.448  -3.990
  193    H    PHE  23           H        PHE  23  -2.124   0.157  -2.028
  194    HA   PHE  23           HA       PHE  23  -3.030  -2.529  -2.944
  195   1HB   PHE  23          1HB       PHE  23  -0.809  -3.185  -1.544
  196   2HB   PHE  23          2HB       PHE  23  -0.834  -2.988  -3.291
  197    HD1  PHE  23           1HD      PHE  23   0.869  -1.661  -4.191
  198    HD2  PHE  23           2HD      PHE  23  -0.363  -1.061  -0.202
  199    HE1  PHE  23           1HE      PHE  23   2.349   0.344  -4.116
  200    HE2  PHE  23           2HE      PHE  23   1.077   1.067  -0.080
  201    HZ   PHE  23           HZ       PHE  23   2.411   1.720  -2.060
  202    H    GLU  24           H        GLU  24  -2.875  -4.177  -1.142
  203    HA   GLU  24           HA       GLU  24  -4.554  -3.023   0.896
  204   1HB   GLU  24          1HB       GLU  24  -4.706  -5.483   0.128
  205   2HB   GLU  24          2HB       GLU  24  -3.496  -5.759   1.420
  206   1HG   GLU  24          1HG       GLU  24  -4.962  -4.765   3.083
  207   2HG   GLU  24          2HG       GLU  24  -6.146  -4.366   1.844
  208    H    LYS  25           H        LYS  25  -3.956  -2.721   3.241
  209    HA   LYS  25           HA       LYS  25  -1.329  -2.019   3.993
  210   1HB   LYS  25          1HB       LYS  25  -3.445  -1.499   5.257
  211   2HB   LYS  25          2HB       LYS  25  -3.469  -3.170   5.834
  212   1HG   LYS  25          1HG       LYS  25  -1.310  -2.893   6.955
  213   2HG   LYS  25          2HG       LYS  25  -1.083  -1.300   6.213
  214   1HD   LYS  25          1HD       LYS  25  -3.088  -0.469   7.417
  215   2HD   LYS  25          2HD       LYS  25  -3.234  -2.043   8.236
  216   1HE   LYS  25          1HE       LYS  25  -1.010  -1.749   9.251
  217   2HE   LYS  25          2HE       LYS  25  -0.772  -0.245   8.349
  218   1HZ   LYS  25          1HZ       LYS  25  -2.677   0.698   9.534
  219   2HZ   LYS  25          2HZ       LYS  25  -2.838  -0.667  10.437
  220   3HZ   LYS  25          3HZ       LYS  25  -1.500   0.255  10.584
  221    H    SER  26           H        SER  26  -3.109  -5.057   4.269
  222    HA   SER  26           HA       SER  26  -1.212  -6.582   5.597
  223   1HB   SER  26          1HB       SER  26  -3.102  -7.724   3.520
  224   2HB   SER  26          2HB       SER  26  -2.484  -8.526   4.969
  225    HG   SER  26           HG       SER  26  -4.698  -7.171   4.657
  226    H    LEU  27           H        LEU  27  -1.567  -6.031   2.098
  227    HA   LEU  27           HA       LEU  27   0.358  -8.070   1.292
  228   1HB   LEU  27          1HB       LEU  27  -0.575  -5.681  -0.339
  229   2HB   LEU  27          2HB       LEU  27   0.209  -7.146  -0.881
  230    HG   LEU  27           HG       LEU  27  -2.646  -6.683  -0.192
  231   1HD1  LEU  27          1HD1      LEU  27  -1.745  -6.452  -2.452
  232   2HD1  LEU  27          2HD1      LEU  27  -1.333  -8.181  -2.410
  233   3HD1  LEU  27          3HD1      LEU  27  -3.044  -7.659  -2.302
  234   1HD2  LEU  27          1HD2      LEU  27  -2.232  -8.665   1.145
  235   2HD2  LEU  27          2HD2      LEU  27  -3.158  -9.072  -0.291
  236   3HD2  LEU  27          3HD2      LEU  27  -1.418  -9.448  -0.240
  237    H    LEU  28           H        LEU  28   0.386  -4.537   1.740
  238    HA   LEU  28           HA       LEU  28   3.078  -4.154   0.801
  239   1HB   LEU  28          1HB       LEU  28   1.372  -2.313   0.999
  240   2HB   LEU  28          2HB       LEU  28   1.564  -2.386   2.752
  241    HG   LEU  28           HG       LEU  28   4.092  -1.973   2.360
  242   1HD1  LEU  28          1HD1      LEU  28   4.270  -2.529  -0.008
  243   2HD1  LEU  28          2HD1      LEU  28   3.052  -1.305  -0.427
  244   3HD1  LEU  28          3HD1      LEU  28   4.633  -0.822   0.204
  245   1HD2  LEU  28          1HD2      LEU  28   3.793   0.445   2.083
  246   2HD2  LEU  28          2HD2      LEU  28   2.110   0.172   1.599
  247   3HD2  LEU  28          3HD2      LEU  28   2.639  -0.261   3.227
  248    H    GLU  29           H        GLU  29   1.616  -4.606   4.039
  249    HA   GLU  29           HA       GLU  29   3.901  -4.420   5.688
  250   1HB   GLU  29          1HB       GLU  29   1.625  -4.503   6.536
  251   2HB   GLU  29          2HB       GLU  29   1.449  -6.187   6.012
  252   1HG   GLU  29          1HG       GLU  29   3.219  -6.870   7.589
  253   2HG   GLU  29          2HG       GLU  29   3.489  -5.188   8.045
  254    H    GLN  30           H        GLN  30   2.664  -7.239   3.874
  255    HA   GLN  30           HA       GLN  30   4.665  -9.110   4.777
  256   1HB   GLN  30          1HB       GLN  30   2.584  -9.721   3.560
  257   2HB   GLN  30          2HB       GLN  30   3.223  -9.028   2.090
  258   1HG   GLN  30          1HG       GLN  30   3.476 -11.487   2.142
  259   2HG   GLN  30          2HG       GLN  30   5.003 -10.643   1.950
  260   1HE2  GLN  30          1HE2      GLN  30   6.633 -11.724   3.059
  261   2HE2  GLN  30          2HE2      GLN  30   6.360 -12.584   4.573
  262    H    TYR  31           H        TYR  31   4.563  -6.961   1.951
  263    HA   TYR  31           HA       TYR  31   7.052  -7.956   0.849
  264   1HB   TYR  31          1HB       TYR  31   5.182  -6.932  -0.448
  265   2HB   TYR  31          2HB       TYR  31   5.593  -5.361   0.236
  266    HD1  TYR  31           1HD      TYR  31   7.399  -8.241  -1.377
  267    HD2  TYR  31           2HD      TYR  31   6.835  -3.994  -1.215
  268    HE1  TYR  31           1HE      TYR  31   8.956  -7.943  -3.340
  269    HE2  TYR  31           2HE      TYR  31   8.580  -3.717  -2.995
  270    HH   TYR  31           HH       TYR  31  10.101  -6.478  -4.631
  271    H    VAL  32           H        VAL  32   6.222  -5.252   2.897
  272    HA   VAL  32           HA       VAL  32   8.866  -4.164   2.776
  273    HB   VAL  32           HB       VAL  32   6.612  -2.961   2.990
  274   1HG1  VAL  32          1HG1      VAL  32   5.951  -4.221   5.089
  275   2HG1  VAL  32          2HG1      VAL  32   7.065  -3.193   5.994
  276   3HG1  VAL  32          3HG1      VAL  32   5.682  -2.477   5.129
  277   1HG2  VAL  32          1HG2      VAL  32   7.504  -1.049   4.349
  278   2HG2  VAL  32          2HG2      VAL  32   8.907  -2.025   4.780
  279   3HG2  VAL  32          3HG2      VAL  32   8.591  -1.598   3.074
  280    H    LYS  33           H        LYS  33   7.461  -6.492   4.764
  281    HA   LYS  33           HA       LYS  33   9.764  -6.414   6.698
  282   1HB   LYS  33          1HB       LYS  33   8.658  -7.775   8.175
  283   2HB   LYS  33          2HB       LYS  33   7.426  -6.671   7.583
  284   1HG   LYS  33          1HG       LYS  33   6.691  -8.549   5.998
  285   2HG   LYS  33          2HG       LYS  33   7.814  -9.607   6.860
  286   1HD   LYS  33          1HD       LYS  33   6.599  -9.214   8.976
  287   2HD   LYS  33          2HD       LYS  33   5.571  -8.014   8.182
  288   1HE   LYS  33          1HE       LYS  33   4.287 -10.017   8.396
  289   2HE   LYS  33          2HE       LYS  33   4.648  -9.767   6.690
  290   1HZ   LYS  33          1HZ       LYS  33   5.003 -12.066   7.279
  291   2HZ   LYS  33          2HZ       LYS  33   6.465 -11.423   6.950
  292   3HZ   LYS  33          3HZ       LYS  33   6.023 -11.685   8.501
  293    H    ASP  34           H        ASP  34   8.887  -7.827   3.813
  294    HA   ASP  34           HA       ASP  34  10.641 -10.179   3.856
  295   1HB   ASP  34          1HB       ASP  34   8.747  -8.900   2.010
  296   2HB   ASP  34          2HB       ASP  34  10.228  -9.236   1.187
  297    H    THR  35           H        THR  35  10.737  -6.980   2.264
  298    HA   THR  35           HA       THR  35  13.754  -6.990   2.308
  299    HB   THR  35           HB       THR  35  13.749  -6.003   0.060
  300    HG1  THR  35           1HG      THR  35  11.016  -6.730  -0.060
  301   1HG2  THR  35          1HG2      THR  35  12.266  -8.663   0.029
  302   2HG2  THR  35          2HG2      THR  35  13.224  -7.955  -1.284
  303   3HG2  THR  35          3HG2      THR  35  14.020  -8.460   0.220
  304    H    GLY  36           H        GLY  36  10.757  -5.203   2.517
  305   1HA   GLY  36          1HA       GLY  36  10.464  -3.114   3.530
  306   2HA   GLY  36          2HA       GLY  36  12.162  -2.726   3.340
  307    H    ASN  37           H        ASN  37  11.511  -3.977   0.388
  308    HA   ASN  37           HA       ASN  37  11.640  -1.423  -0.877
  309   1HB   ASN  37          1HB       ASN  37  11.005  -4.213  -1.907
  310   2HB   ASN  37          2HB       ASN  37  11.261  -2.832  -2.952
  311   1HD2  ASN  37          1HD2      ASN  37  12.814  -5.174  -3.095
  312   2HD2  ASN  37          2HD2      ASN  37  14.459  -4.711  -2.664
  313    H    ASP  38           H        ASP  38  10.247  -0.303  -2.177
  314    HA   ASP  38           HA       ASP  38   7.352  -0.522  -1.817
  315   1HB   ASP  38          1HB       ASP  38   9.074   1.119  -3.720
  316   2HB   ASP  38          2HB       ASP  38   7.315   1.212  -3.600
  317    HA   PRO  39           HA       PRO  39   6.933  -3.858  -4.640
  318   1HB   PRO  39          1HB       PRO  39   4.303  -3.774  -5.402
  319   2HB   PRO  39          2HB       PRO  39   4.902  -4.199  -3.770
  320   1HG   PRO  39          1HG       PRO  39   3.920  -1.498  -4.729
  321   2HG   PRO  39          2HG       PRO  39   3.408  -2.404  -3.266
  322   1HD   PRO  39          1HD       PRO  39   5.281  -0.459  -3.112
  323   2HD   PRO  39          2HD       PRO  39   5.460  -1.970  -2.169
  324    H    ILE  40           H        ILE  40   6.790  -0.749  -6.187
  325    HA   ILE  40           HA       ILE  40   6.960  -2.138  -8.855
  326    HB   ILE  40           HB       ILE  40   5.595   0.485  -8.219
  327   1HG1  ILE  40          1HG1      ILE  40   4.427  -1.945  -9.634
  328   2HG1  ILE  40          2HG1      ILE  40   4.384  -1.817  -7.880
  329   1HG2  ILE  40          1HG2      ILE  40   6.824   0.782 -10.313
  330   2HG2  ILE  40          2HG2      ILE  40   6.210  -0.771 -10.928
  331   3HG2  ILE  40          3HG2      ILE  40   5.116   0.605 -10.676
  332   1HD1  ILE  40          1HD1      ILE  40   2.299  -1.037  -8.824
  333   2HD1  ILE  40          2HD1      ILE  40   3.163   0.267  -7.975
  334   3HD1  ILE  40          3HD1      ILE  40   3.135   0.213  -9.752
  335    H    THR  41           H        THR  41   8.053   0.676  -6.916
  336    HA   THR  41           HA       THR  41  10.161   1.280  -8.897
  337    HB   THR  41           HB       THR  41  10.824   3.014  -7.116
  338    HG1  THR  41           1HG      THR  41   8.149   2.516  -6.473
  339   1HG2  THR  41          1HG2      THR  41   8.135   3.202  -8.542
  340   2HG2  THR  41          2HG2      THR  41   9.080   4.565  -7.899
  341   3HG2  THR  41          3HG2      THR  41   9.720   3.598  -9.240
  342    H    ASN  42           H        ASN  42   9.810  -0.808  -6.191
  343    HA   ASN  42           HA       ASN  42  11.048  -1.665  -4.641
  344   1HB   ASN  42          1HB       ASN  42  12.701  -3.104  -5.358
  345   2HB   ASN  42          2HB       ASN  42  11.490  -3.030  -6.609
  346   1HD2  ASN  42          1HD2      ASN  42  14.647  -1.495  -5.788
  347   2HD2  ASN  42          2HD2      ASN  42  15.236  -1.510  -7.459
  348    H    GLU  43           H        GLU  43  11.200   1.085  -4.581
  349    HA   GLU  43           HA       GLU  43  13.950   1.803  -3.768
  350   1HB   GLU  43          1HB       GLU  43  11.304   3.192  -3.240
  351   2HB   GLU  43          2HB       GLU  43  12.874   3.801  -2.726
  352   1HG   GLU  43          1HG       GLU  43  13.043   3.162  -5.546
  353   2HG   GLU  43          2HG       GLU  43  11.551   4.045  -5.271
  354    HA   PRO  44           HA       PRO  44  13.662  -0.480  -0.010
  355   1HB   PRO  44          1HB       PRO  44  15.785   0.469   1.443
  356   2HB   PRO  44          2HB       PRO  44  15.956  -0.545  -0.021
  357   1HG   PRO  44          1HG       PRO  44  16.125   2.481   0.178
  358   2HG   PRO  44          2HG       PRO  44  17.249   1.359  -0.649
  359   1HD   PRO  44          1HD       PRO  44  15.288   2.689  -1.997
  360   2HD   PRO  44          2HD       PRO  44  15.733   1.010  -2.430
  361    H    LEU  45           H        LEU  45  12.380  -0.387   1.674
  362    HA   LEU  45           HA       LEU  45  11.228   0.177   3.492
  363   1HB   LEU  45          1HB       LEU  45  12.800   2.764   3.659
  364   2HB   LEU  45          2HB       LEU  45  11.454   2.335   4.693
  365    HG   LEU  45           HG       LEU  45  12.686   0.229   5.376
  366   1HD1  LEU  45          1HD1      LEU  45  15.200   0.340   5.202
  367   2HD1  LEU  45          2HD1      LEU  45  14.408  -0.015   3.674
  368   3HD1  LEU  45          3HD1      LEU  45  15.018   1.627   3.989
  369   1HD2  LEU  45          1HD2      LEU  45  12.549   2.227   6.784
  370   2HD2  LEU  45          2HD2      LEU  45  14.122   1.446   6.975
  371   3HD2  LEU  45          3HD2      LEU  45  13.982   2.917   5.983
  372    H    SER  46           H        SER  46   9.263   1.166   3.916
  373    HA   SER  46           HA       SER  46   7.925   2.668   1.761
  374   1HB   SER  46          1HB       SER  46   7.968   0.153   1.218
  375   2HB   SER  46          2HB       SER  46   6.797  -0.014   2.523
  376    HG   SER  46           HG       SER  46   6.595   1.512   0.146
  377    H    ILE  47           H        ILE  47   7.250   0.622   4.537
  378    HA   ILE  47           HA       ILE  47   5.119   1.910   5.625
  379    HB   ILE  47           HB       ILE  47   6.035  -0.368   6.178
  380   1HG1  ILE  47          1HG1      ILE  47   5.477  -0.456   8.595
  381   2HG1  ILE  47          2HG1      ILE  47   5.351   1.308   8.621
  382   1HG2  ILE  47          1HG2      ILE  47   7.921   1.048   8.099
  383   2HG2  ILE  47          2HG2      ILE  47   7.740  -0.695   7.860
  384   3HG2  ILE  47          3HG2      ILE  47   8.412   0.297   6.565
  385   1HD1  ILE  47          1HD1      ILE  47   3.531   1.194   6.965
  386   2HD1  ILE  47          2HD1      ILE  47   3.722  -0.566   6.835
  387   3HD1  ILE  47          3HD1      ILE  47   3.150   0.161   8.354
  388    H    GLU  48           H        GLU  48   8.362   2.948   6.082
  389    HA   GLU  48           HA       GLU  48   7.834   4.861   8.211
  390   1HB   GLU  48          1HB       GLU  48  10.093   4.642   6.183
  391   2HB   GLU  48          2HB       GLU  48  10.054   5.821   7.490
  392   1HG   GLU  48          1HG       GLU  48  10.115   2.794   7.849
  393   2HG   GLU  48          2HG       GLU  48  11.474   3.900   8.037
  394    H    GLU  49           H        GLU  49   6.859   4.685   5.027
  395    HA   GLU  49           HA       GLU  49   6.313   7.617   4.832
  396   1HB   GLU  49          1HB       GLU  49   7.497   5.822   2.675
  397   2HB   GLU  49          2HB       GLU  49   6.838   7.439   2.369
  398   1HG   GLU  49          1HG       GLU  49   8.467   8.377   4.038
  399   2HG   GLU  49          2HG       GLU  49   9.215   6.780   4.157
  400    H    ILE  50           H        ILE  50   4.858   4.892   5.363
  401    HA   ILE  50           HA       ILE  50   2.922   4.530   3.367
  402    HB   ILE  50           HB       ILE  50   3.438   2.981   5.217
  403   1HG1  ILE  50          1HG1      ILE  50   0.455   3.545   5.009
  404   2HG1  ILE  50          2HG1      ILE  50   1.421   2.822   3.715
  405   1HG2  ILE  50          1HG2      ILE  50   1.491   4.599   6.932
  406   2HG2  ILE  50          2HG2      ILE  50   2.460   3.200   7.423
  407   3HG2  ILE  50          3HG2      ILE  50   3.246   4.740   7.087
  408   1HD1  ILE  50          1HD1      ILE  50   1.087   1.630   6.501
  409   2HD1  ILE  50          2HD1      ILE  50   0.235   1.119   5.047
  410   3HD1  ILE  50          3HD1      ILE  50   1.994   0.921   5.137
  411    H    VAL  51           H        VAL  51   1.067   5.196   2.945
  412    HA   VAL  51           HA       VAL  51  -0.415   7.289   4.517
  413    HB   VAL  51           HB       VAL  51  -0.397   7.044   1.484
  414   1HG1  VAL  51          1HG1      VAL  51  -1.699   9.140   1.561
  415   2HG1  VAL  51          2HG1      VAL  51  -2.563   7.847   2.397
  416   3HG1  VAL  51          3HG1      VAL  51  -1.707   9.088   3.335
  417   1HG2  VAL  51          1HG2      VAL  51   0.691   9.274   1.529
  418   2HG2  VAL  51          2HG2      VAL  51   0.844   9.160   3.296
  419   3HG2  VAL  51          3HG2      VAL  51   1.720   8.030   2.239
  420    H    GLU  52           H        GLU  52  -1.802   5.907   5.637
  421    HA   GLU  52           HA       GLU  52  -3.203   3.744   4.232
  422   1HB   GLU  52          1HB       GLU  52  -4.015   4.782   6.947
  423   2HB   GLU  52          2HB       GLU  52  -4.294   3.199   6.186
  424   1HG   GLU  52          1HG       GLU  52  -1.885   2.676   6.367
  425   2HG   GLU  52          2HG       GLU  52  -1.601   4.233   7.141
  426    H    ILE  53           H        ILE  53  -4.742   4.083   2.818
  427    HA   ILE  53           HA       ILE  53  -6.193   6.634   2.624
  428    HB   ILE  53           HB       ILE  53  -6.258   4.086   0.959
  429   1HG1  ILE  53          1HG1      ILE  53  -4.065   5.144   0.824
  430   2HG1  ILE  53          2HG1      ILE  53  -4.925   5.246  -0.696
  431   1HG2  ILE  53          1HG2      ILE  53  -7.559   6.772   0.395
  432   2HG2  ILE  53          2HG2      ILE  53  -7.304   5.504  -0.824
  433   3HG2  ILE  53          3HG2      ILE  53  -8.346   5.192   0.562
  434   1HD1  ILE  53          1HD1      ILE  53  -3.727   7.334  -0.185
  435   2HD1  ILE  53          2HD1      ILE  53  -5.465   7.628  -0.278
  436   3HD1  ILE  53          3HD1      ILE  53  -4.657   7.543   1.303
  437    H    VAL  54           H        VAL  54  -6.840   3.351   3.664
  438    HA   VAL  54           HA       VAL  54  -9.645   3.376   3.916
  439    HB   VAL  54           HB       VAL  54  -8.195   1.426   4.215
  440   1HG1  VAL  54          1HG1      VAL  54  -7.550   2.429   7.002
  441   2HG1  VAL  54          2HG1      VAL  54  -7.103   0.877   6.287
  442   3HG1  VAL  54          3HG1      VAL  54  -6.420   2.370   5.633
  443   1HG2  VAL  54          1HG2      VAL  54 -10.038   1.856   6.583
  444   2HG2  VAL  54          2HG2      VAL  54 -10.509   1.295   4.957
  445   3HG2  VAL  54          3HG2      VAL  54  -9.456   0.304   5.966
  446    HA   PRO  55           HA       PRO  55 -10.211   6.646   6.889
  447   1HB   PRO  55          1HB       PRO  55 -12.831   6.307   7.623
  448   2HB   PRO  55          2HB       PRO  55 -12.315   6.911   6.017
  449   1HG   PRO  55          1HG       PRO  55 -13.052   4.067   6.786
  450   2HG   PRO  55          2HG       PRO  55 -13.654   5.028   5.398
  451   1HD   PRO  55          1HD       PRO  55 -11.635   3.265   5.100
  452   2HD   PRO  55          2HD       PRO  55 -11.588   4.835   4.250
  453    H    SER  56           H        SER  56 -10.552   3.347   7.828
  454    HA   SER  56           HA       SER  56 -10.351   2.187   9.795
  455   1HB   SER  56          1HB       SER  56  -8.086   3.204   9.206
  456   2HB   SER  56          2HB       SER  56  -8.347   4.342  10.532
  457    HG   SER  56           HG       SER  56  -8.369   2.635  11.978
  Start of MODEL   11
    1    H    MET   1           H        MET   1  -6.562   1.965  -9.510
    2    HA   MET   1           HA       MET   1  -7.440   1.643  -7.286
    3   1HB   MET   1          1HB       MET   1  -9.757   1.074  -7.650
    4   2HB   MET   1          2HB       MET   1  -9.165   2.050  -8.989
    5   1HG   MET   1          1HG       MET   1  -8.901   0.032 -10.382
    6   2HG   MET   1          2HG       MET   1  -9.454  -0.989  -9.052
    7   1HE   MET   1          1HE       MET   1 -11.975   0.456  -7.789
    8   2HE   MET   1          2HE       MET   1 -13.244  -0.284  -8.786
    9   3HE   MET   1          3HE       MET   1 -11.861  -1.261  -8.241
   10    H    LEU   2           H        LEU   2  -6.092  -1.037  -8.554
   11    HA   LEU   2           HA       LEU   2  -6.778  -2.757  -6.221
   12   1HB   LEU   2          1HB       LEU   2  -6.932  -4.704  -7.485
   13   2HB   LEU   2          2HB       LEU   2  -7.915  -3.539  -8.353
   14    HG   LEU   2           HG       LEU   2  -5.098  -4.451  -9.119
   15   1HD1  LEU   2          1HD1      LEU   2  -6.227  -5.588 -10.980
   16   2HD1  LEU   2          2HD1      LEU   2  -6.852  -6.168  -9.429
   17   3HD1  LEU   2          3HD1      LEU   2  -7.805  -5.021 -10.390
   18   1HD2  LEU   2          1HD2      LEU   2  -5.574  -3.332 -11.309
   19   2HD2  LEU   2          2HD2      LEU   2  -7.022  -2.593 -10.590
   20   3HD2  LEU   2          3HD2      LEU   2  -5.394  -2.189  -9.987
   21    H    CYS   3           H        CYS   3  -5.242  -4.206  -5.420
   22    HA   CYS   3           HA       CYS   3  -2.952  -2.877  -4.987
   23   1HB   CYS   3          1HB       CYS   3  -3.193  -5.867  -4.479
   24   2HB   CYS   3          2HB       CYS   3  -2.463  -4.660  -3.503
   25    HG   CYS   3           HG       CYS   3  -4.737  -6.076  -2.847
   26    H    ALA   4           H        ALA   4  -0.908  -2.840  -5.462
   27    HA   ALA   4           HA       ALA   4  -0.053  -3.790  -8.078
   28   1HB   ALA   4          1HB       ALA   4   2.006  -2.749  -7.680
   29   2HB   ALA   4          2HB       ALA   4   0.803  -1.703  -6.909
   30   3HB   ALA   4          3HB       ALA   4   1.828  -2.804  -5.934
   31    H    ILE   5           H        ILE   5   0.009  -5.123  -4.935
   32    HA   ILE   5           HA       ILE   5   2.206  -7.033  -5.393
   33    HB   ILE   5           HB       ILE   5   0.551  -6.235  -2.974
   34   1HG1  ILE   5          1HG1      ILE   5   3.523  -5.888  -3.591
   35   2HG1  ILE   5          2HG1      ILE   5   2.311  -4.654  -3.926
   36   1HG2  ILE   5          1HG2      ILE   5   2.842  -8.282  -3.231
   37   2HG2  ILE   5          2HG2      ILE   5   2.222  -7.686  -1.688
   38   3HG2  ILE   5          3HG2      ILE   5   1.177  -8.646  -2.734
   39   1HD1  ILE   5          1HD1      ILE   5   3.410  -4.113  -1.865
   40   2HD1  ILE   5          2HD1      ILE   5   1.729  -4.554  -1.511
   41   3HD1  ILE   5          3HD1      ILE   5   3.057  -5.697  -1.181
   42    H    SER   6           H        SER   6  -1.257  -7.304  -4.522
   43    HA   SER   6           HA       SER   6  -1.253 -10.072  -5.656
   44   1HB   SER   6          1HB       SER   6  -1.280  -9.966  -3.137
   45   2HB   SER   6          2HB       SER   6  -2.936  -9.332  -3.284
   46    HG   SER   6           HG       SER   6  -2.816 -11.641  -3.032
   47    H    GLY   7           H        GLY   7  -2.879  -7.027  -5.791
   48   1HA   GLY   7          1HA       GLY   7  -4.446  -6.350  -7.363
   49   2HA   GLY   7          2HA       GLY   7  -4.453  -8.009  -7.960
   50    H    LYS   8           H        LYS   8  -5.035  -7.757  -4.741
   51    HA   LYS   8           HA       LYS   8  -7.709  -8.888  -4.717
   52   1HB   LYS   8          1HB       LYS   8  -5.904  -9.503  -3.219
   53   2HB   LYS   8          2HB       LYS   8  -5.690  -7.847  -2.677
   54   1HG   LYS   8          1HG       LYS   8  -7.817  -7.947  -1.448
   55   2HG   LYS   8          2HG       LYS   8  -8.169  -9.555  -2.138
   56   1HD   LYS   8          1HD       LYS   8  -6.118 -10.442  -1.052
   57   2HD   LYS   8          2HD       LYS   8  -5.799  -8.843  -0.355
   58   1HE   LYS   8          1HE       LYS   8  -7.930  -8.945   0.895
   59   2HE   LYS   8          2HE       LYS   8  -8.309 -10.505   0.154
   60   1HZ   LYS   8          1HZ       LYS   8  -6.002  -9.998   1.960
   61   2HZ   LYS   8          2HZ       LYS   8  -7.362 -10.807   2.361
   62   3HZ   LYS   8          3HZ       LYS   8  -6.346 -11.438   1.261
   63    H    VAL   9           H        VAL   9  -9.512  -7.966  -3.456
   64    HA   VAL   9           HA       VAL   9  -9.894  -5.065  -3.854
   65    HB   VAL   9           HB       VAL   9 -11.716  -6.485  -4.429
   66   1HG1  VAL   9          1HG1      VAL   9 -11.488  -8.319  -2.753
   67   2HG1  VAL   9          2HG1      VAL   9 -12.149  -7.212  -1.517
   68   3HG1  VAL   9          3HG1      VAL   9 -13.125  -7.673  -2.915
   69   1HG2  VAL   9          1HG2      VAL   9 -12.371  -4.756  -2.006
   70   2HG2  VAL   9          2HG2      VAL   9 -12.130  -4.172  -3.673
   71   3HG2  VAL   9          3HG2      VAL   9 -13.491  -5.241  -3.296
   72    HA   PRO  10           HA       PRO  10  -7.773  -4.869   0.036
   73   1HB   PRO  10          1HB       PRO  10  -7.472  -2.182   0.384
   74   2HB   PRO  10          2HB       PRO  10  -6.593  -3.106  -0.867
   75   1HG   PRO  10          1HG       PRO  10  -9.153  -1.516  -1.226
   76   2HG   PRO  10          2HG       PRO  10  -7.657  -1.449  -2.215
   77   1HD   PRO  10          1HD       PRO  10  -9.782  -2.976  -2.957
   78   2HD   PRO  10          2HD       PRO  10  -8.102  -3.541  -3.205
   79    H    ARG  11           H        ARG  11  -8.165  -4.805   2.082
   80    HA   ARG  11           HA       ARG  11 -10.808  -4.025   3.248
   81   1HB   ARG  11          1HB       ARG  11  -8.468  -5.732   4.219
   82   2HB   ARG  11          2HB       ARG  11  -9.716  -5.138   5.304
   83   1HG   ARG  11          1HG       ARG  11 -10.218  -7.396   4.693
   84   2HG   ARG  11          2HG       ARG  11 -11.462  -6.320   4.056
   85   1HD   ARG  11          1HD       ARG  11 -10.617  -6.545   1.806
   86   2HD   ARG  11          2HD       ARG  11  -9.150  -7.373   2.378
   87    HE   ARG  11           HE       ARG  11 -11.285  -8.933   3.286
   88   1HH1  ARG  11          2HH2      ARG  11 -10.304  -7.941   0.051
   89   2HH1  ARG  11          1HH2      ARG  11 -10.859  -9.454  -0.625
   90   1HH2  ARG  11          2HH1      ARG  11 -12.008 -10.756   2.318
   91   2HH2  ARG  11          1HH1      ARG  11 -11.803 -10.977   0.606
   92    H    ARG  12           H        ARG  12  -7.302  -3.469   3.535
   93    HA   ARG  12           HA       ARG  12  -7.872  -0.706   4.614
   94   1HB   ARG  12          1HB       ARG  12  -5.838  -2.734   5.485
   95   2HB   ARG  12          2HB       ARG  12  -5.400  -1.024   5.513
   96   1HG   ARG  12          1HG       ARG  12  -7.939  -1.970   6.856
   97   2HG   ARG  12          2HG       ARG  12  -6.362  -2.063   7.659
   98   1HD   ARG  12          1HD       ARG  12  -6.010   0.354   7.343
   99   2HD   ARG  12          2HD       ARG  12  -7.564   0.495   6.517
  100    HE   ARG  12           HE       ARG  12  -8.620  -0.322   8.668
  101   1HH1  ARG  12          2HH2      ARG  12  -5.482   1.378   8.981
  102   2HH1  ARG  12          1HH2      ARG  12  -5.925   1.891  10.576
  103   1HH2  ARG  12          2HH1      ARG  12  -8.991   0.396  10.690
  104   2HH2  ARG  12          1HH1      ARG  12  -7.797   1.363  11.510
  105    HA   PRO  13           HA       PRO  13  -6.001  -0.237   0.420
  106   1HB   PRO  13          1HB       PRO  13  -7.162   2.268   0.002
  107   2HB   PRO  13          2HB       PRO  13  -7.858   0.699  -0.497
  108   1HG   PRO  13          1HG       PRO  13  -8.427   2.255   2.049
  109   2HG   PRO  13          2HG       PRO  13  -9.603   1.509   0.908
  110   1HD   PRO  13          1HD       PRO  13  -8.978   0.145   3.095
  111   2HD   PRO  13          2HD       PRO  13  -8.858  -0.697   1.505
  112    H    VAL  14           H        VAL  14  -4.133   0.386   0.384
  113    HA   VAL  14           HA       VAL  14  -3.003   2.619   2.053
  114    HB   VAL  14           HB       VAL  14  -2.501  -0.322   2.172
  115   1HG1  VAL  14          1HG1      VAL  14  -0.305   0.323   1.313
  116   2HG1  VAL  14          2HG1      VAL  14  -0.165   1.576   2.547
  117   3HG1  VAL  14          3HG1      VAL  14  -0.233  -0.156   2.993
  118   1HG2  VAL  14          1HG2      VAL  14  -1.986   0.290   4.516
  119   2HG2  VAL  14          2HG2      VAL  14  -2.034   1.992   4.078
  120   3HG2  VAL  14          3HG2      VAL  14  -3.525   1.011   4.011
  121    H    LEU  15           H        LEU  15  -1.363   3.732   1.298
  122    HA   LEU  15           HA       LEU  15  -0.300   3.121  -1.438
  123   1HB   LEU  15          1HB       LEU  15  -2.101   4.648  -1.627
  124   2HB   LEU  15          2HB       LEU  15  -1.533   5.668  -0.326
  125    HG   LEU  15           HG       LEU  15   0.240   5.345  -2.753
  126   1HD1  LEU  15          1HD1      LEU  15  -2.220   7.140  -2.636
  127   2HD1  LEU  15          2HD1      LEU  15  -0.944   7.192  -3.880
  128   3HD1  LEU  15          3HD1      LEU  15  -1.970   5.764  -3.728
  129   1HD2  LEU  15          1HD2      LEU  15  -0.463   7.778  -1.044
  130   2HD2  LEU  15          2HD2      LEU  15   0.958   6.767  -0.777
  131   3HD2  LEU  15          3HD2      LEU  15   0.805   7.679  -2.280
  132    H    SER  16           H        SER  16   1.741   4.001  -1.884
  133    HA   SER  16           HA       SER  16   3.342   5.352   0.214
  134   1HB   SER  16          1HB       SER  16   4.210   3.138   0.387
  135   2HB   SER  16          2HB       SER  16   4.230   2.927  -1.367
  136    HG   SER  16           HG       SER  16   6.258   3.476  -0.927
  137    HA   PRO  17           HA       PRO  17   3.164   8.047  -3.226
  138   1HB   PRO  17          1HB       PRO  17   5.021   9.974  -2.587
  139   2HB   PRO  17          2HB       PRO  17   3.461   9.756  -1.739
  140   1HG   PRO  17          1HG       PRO  17   6.180   8.667  -0.939
  141   2HG   PRO  17          2HG       PRO  17   5.011   9.575   0.075
  142   1HD   PRO  17          1HD       PRO  17   5.122   6.866   0.143
  143   2HD   PRO  17          2HD       PRO  17   3.548   7.710   0.211
  144    H    LYS  18           H        LYS  18   5.872   6.097  -2.805
  145    HA   LYS  18           HA       LYS  18   7.457   7.041  -5.114
  146   1HB   LYS  18          1HB       LYS  18   7.675   4.323  -3.810
  147   2HB   LYS  18          2HB       LYS  18   8.869   5.180  -4.770
  148   1HG   LYS  18          1HG       LYS  18   9.024   6.894  -2.898
  149   2HG   LYS  18          2HG       LYS  18   7.889   5.894  -1.973
  150   1HD   LYS  18          1HD       LYS  18   9.625   3.952  -2.555
  151   2HD   LYS  18          2HD       LYS  18  10.730   5.307  -2.793
  152   1HE   LYS  18          1HE       LYS  18  10.998   4.490  -0.563
  153   2HE   LYS  18          2HE       LYS  18  10.189   6.059  -0.434
  154   1HZ   LYS  18          1HZ       LYS  18   9.280   4.066   0.887
  155   2HZ   LYS  18          2HZ       LYS  18   8.143   4.948   0.059
  156   3HZ   LYS  18          3HZ       LYS  18   8.661   3.511  -0.512
  157    H    SER  19           H        SER  19   5.724   3.930  -4.549
  158    HA   SER  19           HA       SER  19   5.278   3.308  -7.306
  159   1HB   SER  19          1HB       SER  19   3.693   2.454  -4.846
  160   2HB   SER  19          2HB       SER  19   3.669   1.679  -6.438
  161    HG   SER  19           HG       SER  19   5.723   1.790  -4.504
  162    H    ARG  20           H        ARG  20   3.453   5.114  -4.919
  163    HA   ARG  20           HA       ARG  20   1.475   6.091  -4.764
  164   1HB   ARG  20          1HB       ARG  20   0.971   7.899  -6.300
  165   2HB   ARG  20          2HB       ARG  20   2.621   7.837  -5.721
  166   1HG   ARG  20          1HG       ARG  20   3.288   6.813  -7.970
  167   2HG   ARG  20          2HG       ARG  20   1.630   7.126  -8.514
  168   1HD   ARG  20          1HD       ARG  20   3.094   8.913  -9.239
  169   2HD   ARG  20          2HD       ARG  20   2.017   9.562  -7.988
  170    HE   ARG  20           HE       ARG  20   4.266   8.721  -6.573
  171   1HH1  ARG  20          2HH1      ARG  20   3.943  11.011  -9.212
  172   2HH1  ARG  20          1HH1      ARG  20   5.353  11.897  -8.690
  173   1HH2  ARG  20          2HH2      ARG  20   5.911   9.849  -5.964
  174   2HH2  ARG  20          1HH2      ARG  20   6.474  11.245  -6.871
  175    H    THR  21           H        THR  21   1.404   3.421  -6.013
  176    HA   THR  21           HA       THR  21  -1.224   3.171  -7.255
  177    HB   THR  21           HB       THR  21  -0.685   0.744  -6.884
  178    HG1  THR  21           1HG      THR  21   0.587   0.914  -5.027
  179   1HG2  THR  21          1HG2      THR  21   1.163   0.515  -8.395
  180   2HG2  THR  21          2HG2      THR  21   0.255   1.950  -8.926
  181   3HG2  THR  21          3HG2      THR  21   1.779   2.123  -8.007
  182    H    ILE  22           H        ILE  22  -2.747   1.486  -5.983
  183    HA   ILE  22           HA       ILE  22  -2.615   1.956  -3.036
  184    HB   ILE  22           HB       ILE  22  -5.148   1.775  -4.660
  185   1HG1  ILE  22          1HG1      ILE  22  -5.538   4.075  -3.436
  186   2HG1  ILE  22          2HG1      ILE  22  -3.783   4.138  -3.324
  187   1HG2  ILE  22          1HG2      ILE  22  -5.339   0.656  -2.471
  188   2HG2  ILE  22          2HG2      ILE  22  -4.687   2.105  -1.668
  189   3HG2  ILE  22          3HG2      ILE  22  -6.267   2.151  -2.480
  190   1HD1  ILE  22          1HD1      ILE  22  -4.772   5.396  -5.252
  191   2HD1  ILE  22          2HD1      ILE  22  -3.639   4.161  -5.799
  192   3HD1  ILE  22          3HD1      ILE  22  -5.392   3.874  -5.915
  193    H    PHE  23           H        PHE  23  -2.152   0.201  -2.114
  194    HA   PHE  23           HA       PHE  23  -3.073  -2.439  -3.106
  195   1HB   PHE  23          1HB       PHE  23  -0.901  -3.185  -1.644
  196   2HB   PHE  23          2HB       PHE  23  -0.912  -3.006  -3.385
  197    HD1  PHE  23           1HD      PHE  23   0.939  -1.932  -4.248
  198    HD2  PHE  23           2HD      PHE  23  -0.459  -0.899  -0.397
  199    HE1  PHE  23           1HE      PHE  23   2.610  -0.117  -4.206
  200    HE2  PHE  23           2HE      PHE  23   1.190   1.055  -0.318
  201    HZ   PHE  23           HZ       PHE  23   2.736   1.402  -2.229
  202    H    GLU  24           H        GLU  24  -2.986  -4.096  -1.424
  203    HA   GLU  24           HA       GLU  24  -4.684  -3.153   0.764
  204   1HB   GLU  24          1HB       GLU  24  -5.554  -5.083  -0.024
  205   2HB   GLU  24          2HB       GLU  24  -4.036  -5.813  -0.368
  206   1HG   GLU  24          1HG       GLU  24  -5.202  -6.975   1.448
  207   2HG   GLU  24          2HG       GLU  24  -3.669  -6.319   2.010
  208    H    LYS  25           H        LYS  25  -3.945  -2.759   2.895
  209    HA   LYS  25           HA       LYS  25  -1.326  -2.145   3.540
  210   1HB   LYS  25          1HB       LYS  25  -3.323  -1.475   4.812
  211   2HB   LYS  25          2HB       LYS  25  -3.537  -3.130   5.390
  212   1HG   LYS  25          1HG       LYS  25  -1.405  -3.049   6.589
  213   2HG   LYS  25          2HG       LYS  25  -1.029  -1.459   5.897
  214   1HD   LYS  25          1HD       LYS  25  -3.019  -0.512   7.025
  215   2HD   LYS  25          2HD       LYS  25  -3.368  -2.075   7.768
  216   1HE   LYS  25          1HE       LYS  25  -0.757  -0.532   8.161
  217   2HE   LYS  25          2HE       LYS  25  -2.163  -0.371   9.216
  218   1HZ   LYS  25          1HZ       LYS  25  -1.969  -2.799   9.665
  219   2HZ   LYS  25          2HZ       LYS  25  -0.558  -2.863   8.841
  220   3HZ   LYS  25          3HZ       LYS  25  -0.672  -1.954  10.174
  221    H    SER  26           H        SER  26  -3.139  -5.120   4.099
  222    HA   SER  26           HA       SER  26  -1.206  -6.446   5.582
  223   1HB   SER  26          1HB       SER  26  -3.165  -7.827   3.704
  224   2HB   SER  26          2HB       SER  26  -2.363  -8.550   5.106
  225    HG   SER  26           HG       SER  26  -4.301  -6.471   5.039
  226    H    LEU  27           H        LEU  27  -1.381  -6.185   2.054
  227    HA   LEU  27           HA       LEU  27   0.656  -8.266   1.598
  228   1HB   LEU  27          1HB       LEU  27   0.126  -6.391  -0.604
  229   2HB   LEU  27          2HB       LEU  27   0.212  -8.146  -0.589
  230    HG   LEU  27           HG       LEU  27  -2.171  -6.517   0.257
  231   1HD1  LEU  27          1HD1      LEU  27  -1.442  -7.814  -2.352
  232   2HD1  LEU  27          2HD1      LEU  27  -3.096  -7.254  -1.979
  233   3HD1  LEU  27          3HD1      LEU  27  -1.737  -6.098  -2.033
  234   1HD2  LEU  27          1HD2      LEU  27  -2.024  -9.478  -0.408
  235   2HD2  LEU  27          2HD2      LEU  27  -2.193  -8.792   1.226
  236   3HD2  LEU  27          3HD2      LEU  27  -3.479  -8.550   0.045
  237    H    LEU  28           H        LEU  28   0.447  -4.702   1.665
  238    HA   LEU  28           HA       LEU  28   3.164  -4.271   0.774
  239   1HB   LEU  28          1HB       LEU  28   1.431  -2.449   0.841
  240   2HB   LEU  28          2HB       LEU  28   1.568  -2.448   2.605
  241    HG   LEU  28           HG       LEU  28   4.115  -2.028   2.263
  242   1HD1  LEU  28          1HD1      LEU  28   3.134  -1.479  -0.567
  243   2HD1  LEU  28          2HD1      LEU  28   4.689  -0.931   0.086
  244   3HD1  LEU  28          3HD1      LEU  28   4.372  -2.653  -0.067
  245   1HD2  LEU  28          1HD2      LEU  28   2.634  -0.291   3.039
  246   2HD2  LEU  28          2HD2      LEU  28   3.812   0.374   1.896
  247   3HD2  LEU  28          3HD2      LEU  28   2.141   0.077   1.377
  248    H    GLU  29           H        GLU  29   1.664  -4.558   4.001
  249    HA   GLU  29           HA       GLU  29   3.940  -4.319   5.650
  250   1HB   GLU  29          1HB       GLU  29   1.527  -4.300   6.282
  251   2HB   GLU  29          2HB       GLU  29   1.506  -6.066   6.139
  252   1HG   GLU  29          1HG       GLU  29   3.194  -6.219   7.936
  253   2HG   GLU  29          2HG       GLU  29   3.314  -4.454   8.000
  254    H    GLN  30           H        GLN  30   2.646  -7.220   4.010
  255    HA   GLN  30           HA       GLN  30   4.602  -9.101   4.948
  256   1HB   GLN  30          1HB       GLN  30   2.415  -9.549   3.706
  257   2HB   GLN  30          2HB       GLN  30   3.255  -9.134   2.220
  258   1HG   GLN  30          1HG       GLN  30   4.932 -10.927   2.664
  259   2HG   GLN  30          2HG       GLN  30   4.047 -11.373   4.128
  260   1HE2  GLN  30          1HE2      GLN  30   1.726 -12.167   3.816
  261   2HE2  GLN  30          2HE2      GLN  30   1.372 -12.951   2.280
  262    H    TYR  31           H        TYR  31   4.547  -7.035   2.023
  263    HA   TYR  31           HA       TYR  31   6.999  -8.097   0.918
  264   1HB   TYR  31          1HB       TYR  31   5.116  -7.089  -0.362
  265   2HB   TYR  31          2HB       TYR  31   5.496  -5.519   0.324
  266    HD1  TYR  31           1HD      TYR  31   7.345  -8.322  -1.383
  267    HD2  TYR  31           2HD      TYR  31   6.659  -4.090  -1.122
  268    HE1  TYR  31           1HE      TYR  31   8.821  -7.936  -3.402
  269    HE2  TYR  31           2HE      TYR  31   8.277  -3.734  -2.993
  270    HH   TYR  31           HH       TYR  31   9.841  -6.420  -4.721
  271    H    VAL  32           H        VAL  32   6.225  -5.328   2.913
  272    HA   VAL  32           HA       VAL  32   8.853  -4.238   2.723
  273    HB   VAL  32           HB       VAL  32   6.595  -3.045   2.997
  274   1HG1  VAL  32          1HG1      VAL  32   6.046  -4.309   5.141
  275   2HG1  VAL  32          2HG1      VAL  32   7.141  -3.214   5.987
  276   3HG1  VAL  32          3HG1      VAL  32   5.704  -2.585   5.137
  277   1HG2  VAL  32          1HG2      VAL  32   7.510  -1.113   4.293
  278   2HG2  VAL  32          2HG2      VAL  32   8.938  -2.068   4.690
  279   3HG2  VAL  32          3HG2      VAL  32   8.556  -1.669   2.993
  280    H    LYS  33           H        LYS  33   7.437  -6.477   4.866
  281    HA   LYS  33           HA       LYS  33   9.777  -6.367   6.741
  282   1HB   LYS  33          1HB       LYS  33   8.739  -7.794   8.198
  283   2HB   LYS  33          2HB       LYS  33   7.446  -6.744   7.626
  284   1HG   LYS  33          1HG       LYS  33   6.710  -8.580   6.077
  285   2HG   LYS  33          2HG       LYS  33   7.989  -9.615   6.735
  286   1HD   LYS  33          1HD       LYS  33   6.952  -9.411   9.001
  287   2HD   LYS  33          2HD       LYS  33   5.709  -8.355   8.324
  288   1HE   LYS  33          1HE       LYS  33   4.755 -10.534   8.554
  289   2HE   LYS  33          2HE       LYS  33   4.950 -10.199   6.830
  290   1HZ   LYS  33          1HZ       LYS  33   6.794 -11.870   8.464
  291   2HZ   LYS  33          2HZ       LYS  33   5.677 -12.456   7.431
  292   3HZ   LYS  33          3HZ       LYS  33   6.947 -11.604   6.859
  293    H    ASP  34           H        ASP  34   8.869  -7.889   3.883
  294    HA   ASP  34           HA       ASP  34  10.713 -10.167   3.949
  295   1HB   ASP  34          1HB       ASP  34   8.697  -9.048   2.148
  296   2HB   ASP  34          2HB       ASP  34  10.147  -9.347   1.260
  297    H    THR  35           H        THR  35  10.679  -7.068   2.180
  298    HA   THR  35           HA       THR  35  13.697  -7.040   2.074
  299    HB   THR  35           HB       THR  35  13.583  -6.134  -0.181
  300    HG1  THR  35           1HG      THR  35  10.827  -6.796  -0.152
  301   1HG2  THR  35          1HG2      THR  35  12.033  -8.753  -0.093
  302   2HG2  THR  35          2HG2      THR  35  12.962  -8.097  -1.453
  303   3HG2  THR  35          3HG2      THR  35  13.800  -8.594   0.031
  304    H    GLY  36           H        GLY  36  10.715  -5.311   2.493
  305   1HA   GLY  36          1HA       GLY  36  10.433  -3.169   3.414
  306   2HA   GLY  36          2HA       GLY  36  12.123  -2.800   3.166
  307    H    ASN  37           H        ASN  37  11.404  -4.031   0.226
  308    HA   ASN  37           HA       ASN  37  11.628  -1.450  -0.963
  309   1HB   ASN  37          1HB       ASN  37  10.927  -4.211  -2.054
  310   2HB   ASN  37          2HB       ASN  37  11.269  -2.832  -3.068
  311   1HD2  ASN  37          1HD2      ASN  37  12.766  -5.136  -3.332
  312   2HD2  ASN  37          2HD2      ASN  37  14.400  -4.773  -2.781
  313    H    ASP  38           H        ASP  38  10.286  -0.236  -2.253
  314    HA   ASP  38           HA       ASP  38   7.365  -0.484  -2.029
  315   1HB   ASP  38          1HB       ASP  38   9.250   1.448  -3.261
  316   2HB   ASP  38          2HB       ASP  38   7.927   1.078  -4.313
  317    HA   PRO  39           HA       PRO  39   7.226  -3.771  -4.996
  318   1HB   PRO  39          1HB       PRO  39   4.606  -3.823  -5.782
  319   2HB   PRO  39          2HB       PRO  39   5.178  -4.260  -4.140
  320   1HG   PRO  39          1HG       PRO  39   4.108  -1.586  -5.082
  321   2HG   PRO  39          2HG       PRO  39   3.573  -2.547  -3.663
  322   1HD   PRO  39          1HD       PRO  39   5.339  -0.524  -3.376
  323   2HD   PRO  39          2HD       PRO  39   5.560  -2.055  -2.466
  324    H    ILE  40           H        ILE  40   7.137  -0.614  -6.130
  325    HA   ILE  40           HA       ILE  40   6.986  -1.458  -9.019
  326    HB   ILE  40           HB       ILE  40   6.101   1.189  -7.843
  327   1HG1  ILE  40          1HG1      ILE  40   4.401  -0.511  -7.412
  328   2HG1  ILE  40          2HG1      ILE  40   3.851   0.648  -8.605
  329   1HG2  ILE  40          1HG2      ILE  40   6.232   0.288 -10.740
  330   2HG2  ILE  40          2HG2      ILE  40   5.322   1.706 -10.168
  331   3HG2  ILE  40          3HG2      ILE  40   7.071   1.652  -9.978
  332   1HD1  ILE  40          1HD1      ILE  40   3.147  -1.572  -9.258
  333   2HD1  ILE  40          2HD1      ILE  40   4.344  -1.008 -10.424
  334   3HD1  ILE  40          3HD1      ILE  40   4.808  -2.189  -9.170
  335    H    THR  41           H        THR  41   8.379   0.962  -6.746
  336    HA   THR  41           HA       THR  41  10.479   1.619  -8.709
  337    HB   THR  41           HB       THR  41  11.275   3.248  -7.048
  338    HG1  THR  41           1HG      THR  41   8.910   2.447  -5.773
  339   1HG2  THR  41          1HG2      THR  41   9.378   4.784  -7.228
  340   2HG2  THR  41          2HG2      THR  41   9.625   3.937  -8.763
  341   3HG2  THR  41          3HG2      THR  41   8.293   3.458  -7.686
  342    H    ASN  42           H        ASN  42  10.101  -0.621  -6.190
  343    HA   ASN  42           HA       ASN  42  11.287  -1.708  -4.757
  344   1HB   ASN  42          1HB       ASN  42  12.578  -3.271  -5.551
  345   2HB   ASN  42          2HB       ASN  42  12.019  -2.659  -7.097
  346   1HD2  ASN  42          1HD2      ASN  42  13.781  -0.405  -7.444
  347   2HD2  ASN  42          2HD2      ASN  42  15.407  -1.079  -7.574
  348    H    GLU  43           H        GLU  43  11.606   1.164  -4.609
  349    HA   GLU  43           HA       GLU  43  14.243   1.720  -3.528
  350   1HB   GLU  43          1HB       GLU  43  11.533   3.010  -3.226
  351   2HB   GLU  43          2HB       GLU  43  12.994   3.698  -2.514
  352   1HG   GLU  43          1HG       GLU  43  13.188   3.032  -5.435
  353   2HG   GLU  43          2HG       GLU  43  11.998   4.240  -5.015
  354    HA   PRO  44           HA       PRO  44  13.567  -0.681   0.143
  355   1HB   PRO  44          1HB       PRO  44  15.686   0.074   1.721
  356   2HB   PRO  44          2HB       PRO  44  15.836  -0.951   0.263
  357   1HG   PRO  44          1HG       PRO  44  16.273   2.044   0.484
  358   2HG   PRO  44          2HG       PRO  44  17.329   0.821  -0.296
  359   1HD   PRO  44          1HD       PRO  44  15.573   2.323  -1.736
  360   2HD   PRO  44          2HD       PRO  44  15.869   0.606  -2.144
  361    H    LEU  45           H        LEU  45  12.248  -0.513   1.689
  362    HA   LEU  45           HA       LEU  45  11.028  -0.002   3.467
  363   1HB   LEU  45          1HB       LEU  45  12.806   2.387   3.865
  364   2HB   LEU  45          2HB       LEU  45  11.330   2.175   4.785
  365    HG   LEU  45           HG       LEU  45  13.373  -0.074   4.628
  366   1HD1  LEU  45          1HD1      LEU  45  13.295   2.206   6.651
  367   2HD1  LEU  45          2HD1      LEU  45  14.327   0.755   6.747
  368   3HD1  LEU  45          3HD1      LEU  45  14.567   1.926   5.441
  369   1HD2  LEU  45          1HD2      LEU  45  11.148  -0.651   5.550
  370   2HD2  LEU  45          2HD2      LEU  45  12.382  -0.691   6.808
  371   3HD2  LEU  45          3HD2      LEU  45  11.274   0.692   6.708
  372    H    SER  46           H        SER  46   9.081   0.925   3.842
  373    HA   SER  46           HA       SER  46   7.909   2.558   1.677
  374   1HB   SER  46          1HB       SER  46   7.963   0.019   1.125
  375   2HB   SER  46          2HB       SER  46   6.650  -0.099   2.289
  376    HG   SER  46           HG       SER  46   6.781   1.524  -0.054
  377    H    ILE  47           H        ILE  47   6.942   0.448   4.373
  378    HA   ILE  47           HA       ILE  47   4.879   1.907   5.254
  379    HB   ILE  47           HB       ILE  47   5.559  -0.442   5.709
  380   1HG1  ILE  47          1HG1      ILE  47   4.655   0.672   8.346
  381   2HG1  ILE  47          2HG1      ILE  47   3.658   0.932   6.908
  382   1HG2  ILE  47          1HG2      ILE  47   6.866  -1.024   7.682
  383   2HG2  ILE  47          2HG2      ILE  47   7.838  -0.005   6.616
  384   3HG2  ILE  47          3HG2      ILE  47   7.104   0.686   8.081
  385   1HD1  ILE  47          1HD1      ILE  47   2.977  -1.152   8.014
  386   2HD1  ILE  47          2HD1      ILE  47   3.664  -1.473   6.403
  387   3HD1  ILE  47          3HD1      ILE  47   4.633  -1.791   7.855
  388    H    GLU  48           H        GLU  48   8.169   2.775   5.983
  389    HA   GLU  48           HA       GLU  48   7.732   4.529   8.138
  390   1HB   GLU  48          1HB       GLU  48   9.916   4.514   7.941
  391   2HB   GLU  48          2HB       GLU  48   9.814   3.330   6.710
  392   1HG   GLU  48          1HG       GLU  48   9.834   4.979   4.945
  393   2HG   GLU  48          2HG       GLU  48   9.938   6.315   6.108
  394    H    GLU  49           H        GLU  49   6.781   4.562   4.872
  395    HA   GLU  49           HA       GLU  49   6.268   7.509   4.852
  396   1HB   GLU  49          1HB       GLU  49   8.177   6.455   3.350
  397   2HB   GLU  49          2HB       GLU  49   6.847   5.863   2.370
  398   1HG   GLU  49          1HG       GLU  49   7.662   7.892   1.404
  399   2HG   GLU  49          2HG       GLU  49   6.082   8.257   2.068
  400    H    ILE  50           H        ILE  50   4.713   4.836   5.370
  401    HA   ILE  50           HA       ILE  50   2.772   4.496   3.416
  402    HB   ILE  50           HB       ILE  50   3.285   2.992   5.298
  403   1HG1  ILE  50          1HG1      ILE  50   0.294   3.392   5.099
  404   2HG1  ILE  50          2HG1      ILE  50   1.279   2.836   3.739
  405   1HG2  ILE  50          1HG2      ILE  50   3.041   4.712   7.159
  406   2HG2  ILE  50          2HG2      ILE  50   1.285   4.561   6.973
  407   3HG2  ILE  50          3HG2      ILE  50   2.258   3.158   7.460
  408   1HD1  ILE  50          1HD1      ILE  50   2.070   0.908   4.996
  409   2HD1  ILE  50          2HD1      ILE  50   1.152   1.427   6.437
  410   3HD1  ILE  50          3HD1      ILE  50   0.299   0.934   4.971
  411    H    VAL  51           H        VAL  51   0.970   5.173   2.906
  412    HA   VAL  51           HA       VAL  51  -0.609   7.229   4.431
  413    HB   VAL  51           HB       VAL  51  -0.492   6.927   1.406
  414   1HG1  VAL  51          1HG1      VAL  51  -1.837   9.008   1.396
  415   2HG1  VAL  51          2HG1      VAL  51  -2.707   7.703   2.201
  416   3HG1  VAL  51          3HG1      VAL  51  -1.923   8.967   3.173
  417   1HG2  VAL  51          1HG2      VAL  51   0.638   9.117   3.197
  418   2HG2  VAL  51          2HG2      VAL  51   1.572   7.967   2.211
  419   3HG2  VAL  51          3HG2      VAL  51   0.552   9.170   1.420
  420    H    GLU  52           H        GLU  52  -1.842   5.684   5.569
  421    HA   GLU  52           HA       GLU  52  -3.367   3.668   4.043
  422   1HB   GLU  52          1HB       GLU  52  -4.115   4.452   6.850
  423   2HB   GLU  52          2HB       GLU  52  -4.342   2.929   5.967
  424   1HG   GLU  52          1HG       GLU  52  -1.931   2.431   6.227
  425   2HG   GLU  52          2HG       GLU  52  -1.709   3.959   7.079
  426    H    ILE  53           H        ILE  53  -5.154   4.029   2.998
  427    HA   ILE  53           HA       ILE  53  -6.664   6.575   3.175
  428    HB   ILE  53           HB       ILE  53  -6.819   4.154   1.335
  429   1HG1  ILE  53          1HG1      ILE  53  -5.930   6.979   0.600
  430   2HG1  ILE  53          2HG1      ILE  53  -4.783   5.778   1.165
  431   1HG2  ILE  53          1HG2      ILE  53  -8.381   6.773   1.199
  432   2HG2  ILE  53          2HG2      ILE  53  -8.316   5.571  -0.102
  433   3HG2  ILE  53          3HG2      ILE  53  -9.047   5.135   1.426
  434   1HD1  ILE  53          1HD1      ILE  53  -4.716   5.795  -1.222
  435   2HD1  ILE  53          2HD1      ILE  53  -5.405   4.253  -0.682
  436   3HD1  ILE  53          3HD1      ILE  53  -6.459   5.522  -1.350
  437    H    VAL  54           H        VAL  54  -8.992   6.491   3.557
  438    HA   VAL  54           HA       VAL  54  -9.723   5.015   5.849
  439    HB   VAL  54           HB       VAL  54 -12.059   5.750   5.415
  440   1HG1  VAL  54          1HG1      VAL  54 -11.597   8.114   5.802
  441   2HG1  VAL  54          2HG1      VAL  54 -10.443   7.109   6.692
  442   3HG1  VAL  54          3HG1      VAL  54  -9.937   7.924   5.194
  443   1HG2  VAL  54          1HG2      VAL  54 -10.906   7.170   2.968
  444   2HG2  VAL  54          2HG2      VAL  54 -12.085   5.840   2.932
  445   3HG2  VAL  54          3HG2      VAL  54 -12.524   7.389   3.655
  446    HA   PRO  55           HA       PRO  55 -10.771   1.084   4.052
  447   1HB   PRO  55          1HB       PRO  55 -11.824  -0.224   6.190
  448   2HB   PRO  55          2HB       PRO  55 -10.102   0.260   6.113
  449   1HG   PRO  55          1HG       PRO  55 -12.385   1.747   7.464
  450   2HG   PRO  55          2HG       PRO  55 -10.797   1.288   8.165
  451   1HD   PRO  55          1HD       PRO  55 -11.235   3.759   7.113
  452   2HD   PRO  55          2HD       PRO  55  -9.660   2.932   6.912
  453    H    SER  56           H        SER  56 -13.215   3.245   5.185
  454    HA   SER  56           HA       SER  56 -15.233   2.064   3.391
  455   1HB   SER  56          1HB       SER  56 -15.672   0.991   5.589
  456   2HB   SER  56          2HB       SER  56 -15.825   2.596   6.331
  457    HG   SER  56           HG       SER  56 -17.861   1.693   5.711
  Start of MODEL   12
    1    H    MET   1           H        MET   1  -6.125   2.018  -8.405
    2    HA   MET   1           HA       MET   1  -6.950   1.719  -6.265
    3   1HB   MET   1          1HB       MET   1  -9.469   0.971  -7.804
    4   2HB   MET   1          2HB       MET   1  -9.408   1.301  -6.069
    5   1HG   MET   1          1HG       MET   1  -8.540   3.579  -6.536
    6   2HG   MET   1          2HG       MET   1  -8.676   3.270  -8.269
    7   1HE   MET   1          1HE       MET   1  -9.925   5.797  -6.779
    8   2HE   MET   1          2HE       MET   1 -10.041   5.510  -8.532
    9   3HE   MET   1          3HE       MET   1 -11.501   5.899  -7.595
   10    H    LEU   2           H        LEU   2  -6.490  -0.910  -8.206
   11    HA   LEU   2           HA       LEU   2  -6.905  -2.893  -5.990
   12   1HB   LEU   2          1HB       LEU   2  -6.407  -3.432  -8.943
   13   2HB   LEU   2          2HB       LEU   2  -6.701  -4.642  -7.697
   14    HG   LEU   2           HG       LEU   2  -8.729  -2.572  -8.657
   15   1HD1  LEU   2          1HD1      LEU   2  -8.558  -5.576  -9.114
   16   2HD1  LEU   2          2HD1      LEU   2  -9.871  -4.506  -9.652
   17   3HD1  LEU   2          3HD1      LEU   2  -8.243  -4.316 -10.325
   18   1HD2  LEU   2          1HD2      LEU   2  -9.077  -4.927  -6.751
   19   2HD2  LEU   2          2HD2      LEU   2  -9.136  -3.208  -6.294
   20   3HD2  LEU   2          3HD2      LEU   2 -10.372  -3.873  -7.361
   21    H    CYS   3           H        CYS   3  -5.291  -4.192  -5.242
   22    HA   CYS   3           HA       CYS   3  -3.015  -2.811  -4.837
   23   1HB   CYS   3          1HB       CYS   3  -3.261  -5.822  -4.418
   24   2HB   CYS   3          2HB       CYS   3  -2.450  -4.675  -3.434
   25    HG   CYS   3           HG       CYS   3  -4.691  -6.080  -2.705
   26    H    ALA   4           H        ALA   4  -0.931  -2.791  -5.347
   27    HA   ALA   4           HA       ALA   4  -0.204  -3.817  -8.000
   28   1HB   ALA   4          1HB       ALA   4   1.697  -2.589  -6.021
   29   2HB   ALA   4          2HB       ALA   4   1.950  -2.897  -7.732
   30   3HB   ALA   4          3HB       ALA   4   0.709  -1.739  -7.259
   31    H    ILE   5           H        ILE   5  -0.076  -5.082  -4.783
   32    HA   ILE   5           HA       ILE   5   2.170  -6.911  -5.255
   33    HB   ILE   5           HB       ILE   5   0.486  -6.177  -2.824
   34   1HG1  ILE   5          1HG1      ILE   5   3.434  -5.759  -3.484
   35   2HG1  ILE   5          2HG1      ILE   5   2.180  -4.551  -3.780
   36   1HG2  ILE   5          1HG2      ILE   5   2.835  -8.162  -3.134
   37   2HG2  ILE   5          2HG2      ILE   5   2.209  -7.616  -1.574
   38   3HG2  ILE   5          3HG2      ILE   5   1.185  -8.582  -2.636
   39   1HD1  ILE   5          1HD1      ILE   5   3.028  -5.600  -1.072
   40   2HD1  ILE   5          2HD1      ILE   5   3.280  -3.984  -1.749
   41   3HD1  ILE   5          3HD1      ILE   5   1.634  -4.522  -1.354
   42    H    SER   6           H        SER   6  -1.287  -7.302  -4.355
   43    HA   SER   6           HA       SER   6  -1.197 -10.010  -5.611
   44   1HB   SER   6          1HB       SER   6  -2.865  -9.364  -3.196
   45   2HB   SER   6          2HB       SER   6  -2.724 -10.916  -4.014
   46    HG   SER   6           HG       SER   6  -0.515 -10.972  -3.464
   47    H    GLY   7           H        GLY   7  -2.777  -6.979  -5.824
   48   1HA   GLY   7          1HA       GLY   7  -4.227  -6.352  -7.537
   49   2HA   GLY   7          2HA       GLY   7  -4.175  -8.033  -8.063
   50    H    LYS   8           H        LYS   8  -5.026  -7.683  -4.930
   51    HA   LYS   8           HA       LYS   8  -7.743  -8.735  -5.140
   52   1HB   LYS   8          1HB       LYS   8  -6.088  -9.487  -3.524
   53   2HB   LYS   8          2HB       LYS   8  -5.810  -7.846  -2.950
   54   1HG   LYS   8          1HG       LYS   8  -8.049  -7.812  -1.923
   55   2HG   LYS   8          2HG       LYS   8  -8.396  -9.433  -2.578
   56   1HD   LYS   8          1HD       LYS   8  -6.505 -10.349  -1.260
   57   2HD   LYS   8          2HD       LYS   8  -6.127  -8.717  -0.664
   58   1HE   LYS   8          1HE       LYS   8  -8.439  -8.593   0.314
   59   2HE   LYS   8          2HE       LYS   8  -8.704 -10.281  -0.165
   60   1HZ   LYS   8          1HZ       LYS   8  -6.798 -10.874   1.270
   61   2HZ   LYS   8          2HZ       LYS   8  -6.603  -9.294   1.686
   62   3HZ   LYS   8          3HZ       LYS   8  -7.951 -10.106   2.143
   63    H    VAL   9           H        VAL   9  -9.568  -7.736  -4.055
   64    HA   VAL   9           HA       VAL   9  -9.857  -4.808  -4.409
   65    HB   VAL   9           HB       VAL   9 -11.790  -6.846  -3.225
   66   1HG1  VAL   9          1HG1      VAL   9 -13.466  -5.039  -3.519
   67   2HG1  VAL   9          2HG1      VAL   9 -12.218  -4.560  -2.364
   68   3HG1  VAL   9          3HG1      VAL   9 -12.182  -3.921  -4.024
   69   1HG2  VAL   9          1HG2      VAL   9 -13.025  -6.548  -5.342
   70   2HG2  VAL   9          2HG2      VAL   9 -11.732  -5.500  -5.960
   71   3HG2  VAL   9          3HG2      VAL   9 -11.418  -7.219  -5.639
   72    HA   PRO  10           HA       PRO  10  -7.589  -4.873  -0.575
   73   1HB   PRO  10          1HB       PRO  10  -7.358  -2.184  -0.001
   74   2HB   PRO  10          2HB       PRO  10  -6.407  -3.030  -1.249
   75   1HG   PRO  10          1HG       PRO  10  -8.955  -1.437  -1.637
   76   2HG   PRO  10          2HG       PRO  10  -7.427  -1.345  -2.575
   77   1HD   PRO  10          1HD       PRO  10  -9.533  -2.805  -3.455
   78   2HD   PRO  10          2HD       PRO  10  -7.857  -3.400  -3.657
   79    H    ARG  11           H        ARG  11  -8.391  -5.616   1.218
   80    HA   ARG  11           HA       ARG  11 -10.884  -4.841   2.427
   81   1HB   ARG  11          1HB       ARG  11  -9.807  -7.066   2.735
   82   2HB   ARG  11          2HB       ARG  11  -8.490  -6.308   3.617
   83   1HG   ARG  11          1HG       ARG  11 -10.093  -7.384   5.130
   84   2HG   ARG  11          2HG       ARG  11  -9.973  -5.658   5.435
   85   1HD   ARG  11          1HD       ARG  11 -12.289  -6.420   5.592
   86   2HD   ARG  11          2HD       ARG  11 -12.104  -5.261   4.271
   87    HE   ARG  11           HE       ARG  11 -11.829  -7.998   3.336
   88   1HH1  ARG  11          2HH2      ARG  11 -14.325  -5.717   4.244
   89   2HH1  ARG  11          1HH2      ARG  11 -15.518  -6.497   3.234
   90   1HH2  ARG  11          2HH1      ARG  11 -13.384  -8.936   2.082
   91   2HH2  ARG  11          1HH1      ARG  11 -14.991  -8.269   2.055
   92    H    ARG  12           H        ARG  12  -7.498  -4.035   3.333
   93    HA   ARG  12           HA       ARG  12  -8.500  -1.480   4.506
   94   1HB   ARG  12          1HB       ARG  12  -7.930  -3.081   6.243
   95   2HB   ARG  12          2HB       ARG  12  -6.378  -3.429   5.480
   96   1HG   ARG  12          1HG       ARG  12  -6.111  -2.000   7.393
   97   2HG   ARG  12          2HG       ARG  12  -5.602  -1.187   5.911
   98   1HD   ARG  12          1HD       ARG  12  -7.533   0.262   5.919
   99   2HD   ARG  12          2HD       ARG  12  -8.378  -0.775   7.075
  100    HE   ARG  12           HE       ARG  12  -7.391   0.346   8.808
  101   1HH1  ARG  12          2HH2      ARG  12  -5.362   1.144   6.010
  102   2HH1  ARG  12          1HH2      ARG  12  -4.185   1.877   7.113
  103   1HH2  ARG  12          2HH1      ARG  12  -5.863   1.511   9.965
  104   2HH2  ARG  12          1HH1      ARG  12  -4.470   2.129   9.072
  105    HA   PRO  13           HA       PRO  13  -5.730  -0.682   0.947
  106   1HB   PRO  13          1HB       PRO  13  -6.673   1.854   0.289
  107   2HB   PRO  13          2HB       PRO  13  -7.363   0.316  -0.279
  108   1HG   PRO  13          1HG       PRO  13  -8.252   1.938   2.140
  109   2HG   PRO  13          2HG       PRO  13  -9.264   1.288   0.796
  110   1HD   PRO  13          1HD       PRO  13  -9.134  -0.158   3.010
  111   2HD   PRO  13          2HD       PRO  13  -8.756  -0.958   1.435
  112    H    VAL  14           H        VAL  14  -4.031   0.424   0.620
  113    HA   VAL  14           HA       VAL  14  -3.080   2.642   2.329
  114    HB   VAL  14           HB       VAL  14  -2.599   0.113   3.221
  115   1HG1  VAL  14          1HG1      VAL  14  -0.130   0.733   1.583
  116   2HG1  VAL  14          2HG1      VAL  14  -0.191  -0.404   2.926
  117   3HG1  VAL  14          3HG1      VAL  14  -1.208  -0.699   1.521
  118   1HG2  VAL  14          1HG2      VAL  14  -0.773   1.087   4.579
  119   2HG2  VAL  14          2HG2      VAL  14  -0.906   2.563   3.585
  120   3HG2  VAL  14          3HG2      VAL  14  -2.285   1.981   4.557
  121    H    LEU  15           H        LEU  15  -1.157   3.743   1.483
  122    HA   LEU  15           HA       LEU  15  -0.393   3.037  -1.323
  123   1HB   LEU  15          1HB       LEU  15  -2.223   4.580  -1.420
  124   2HB   LEU  15          2HB       LEU  15  -1.537   5.648  -0.219
  125    HG   LEU  15           HG       LEU  15   0.008   5.237  -2.782
  126   1HD1  LEU  15          1HD1      LEU  15  -1.295   7.060  -3.844
  127   2HD1  LEU  15          2HD1      LEU  15  -2.293   5.631  -3.559
  128   3HD1  LEU  15          3HD1      LEU  15  -2.439   7.033  -2.480
  129   1HD2  LEU  15          1HD2      LEU  15   0.619   7.571  -2.457
  130   2HD2  LEU  15          2HD2      LEU  15  -0.541   7.740  -1.123
  131   3HD2  LEU  15          3HD2      LEU  15   0.898   6.730  -0.934
  132    H    SER  16           H        SER  16   1.604   3.903  -1.981
  133    HA   SER  16           HA       SER  16   3.421   5.034   0.105
  134   1HB   SER  16          1HB       SER  16   4.190   2.807  -0.487
  135   2HB   SER  16          2HB       SER  16   4.075   3.199  -2.214
  136    HG   SER  16           HG       SER  16   6.196   3.374  -1.362
  137    HA   PRO  17           HA       PRO  17   3.226   8.443  -2.803
  138   1HB   PRO  17          1HB       PRO  17   5.205  10.074  -1.857
  139   2HB   PRO  17          2HB       PRO  17   3.679   9.780  -0.971
  140   1HG   PRO  17          1HG       PRO  17   6.350   8.388  -0.573
  141   2HG   PRO  17          2HG       PRO  17   5.301   9.147   0.673
  142   1HD   PRO  17          1HD       PRO  17   5.231   6.474   0.169
  143   2HD   PRO  17          2HD       PRO  17   3.737   7.377   0.551
  144    H    LYS  18           H        LYS  18   5.680   6.146  -2.804
  145    HA   LYS  18           HA       LYS  18   7.488   7.386  -4.800
  146   1HB   LYS  18          1HB       LYS  18   7.399   4.692  -3.379
  147   2HB   LYS  18          2HB       LYS  18   8.659   5.161  -4.513
  148   1HG   LYS  18          1HG       LYS  18   9.662   6.653  -3.040
  149   2HG   LYS  18          2HG       LYS  18   8.160   7.059  -2.220
  150   1HD   LYS  18          1HD       LYS  18   9.535   5.833  -0.674
  151   2HD   LYS  18          2HD       LYS  18   8.126   4.862  -1.100
  152   1HE   LYS  18          1HE       LYS  18   9.709   3.844  -2.945
  153   2HE   LYS  18          2HE       LYS  18  11.015   4.534  -1.964
  154   1HZ   LYS  18          1HZ       LYS  18  10.532   2.240  -1.314
  155   2HZ   LYS  18          2HZ       LYS  18  10.112   3.212  -0.072
  156   3HZ   LYS  18          3HZ       LYS  18   8.952   2.597  -1.055
  157    H    SER  19           H        SER  19   5.337   4.579  -4.498
  158    HA   SER  19           HA       SER  19   5.313   4.083  -7.406
  159   1HB   SER  19          1HB       SER  19   4.234   1.996  -6.736
  160   2HB   SER  19          2HB       SER  19   5.740   2.294  -5.834
  161    HG   SER  19           HG       SER  19   4.695   2.183  -4.111
  162    H    ARG  20           H        ARG  20   3.142   5.295  -4.954
  163    HA   ARG  20           HA       ARG  20   1.171   6.352  -4.951
  164   1HB   ARG  20          1HB       ARG  20   1.802   6.945  -7.859
  165   2HB   ARG  20          2HB       ARG  20   0.648   7.820  -6.832
  166   1HG   ARG  20          1HG       ARG  20   2.496   8.360  -5.240
  167   2HG   ARG  20          2HG       ARG  20   3.650   7.582  -6.330
  168   1HD   ARG  20          1HD       ARG  20   3.067   9.204  -8.106
  169   2HD   ARG  20          2HD       ARG  20   1.967  10.023  -6.972
  170    HE   ARG  20           HE       ARG  20   4.534   9.754  -5.739
  171   1HH1  ARG  20          2HH2      ARG  20   3.133  11.672  -8.315
  172   2HH1  ARG  20          1HH2      ARG  20   4.306  12.949  -8.100
  173   1HH2  ARG  20          2HH1      ARG  20   5.952  11.355  -5.521
  174   2HH2  ARG  20          1HH1      ARG  20   5.879  12.767  -6.545
  175    H    THR  21           H        THR  21   1.202   3.491  -6.248
  176    HA   THR  21           HA       THR  21  -1.568   3.182  -7.205
  177    HB   THR  21           HB       THR  21   0.293   1.575  -7.810
  178    HG1  THR  21           1HG      THR  21  -0.975  -0.193  -7.608
  179   1HG2  THR  21          1HG2      THR  21   1.170   0.046  -6.211
  180   2HG2  THR  21          2HG2      THR  21   1.352   1.620  -5.472
  181   3HG2  THR  21          3HG2      THR  21   0.021   0.563  -4.964
  182    H    ILE  22           H        ILE  22  -2.946   1.445  -5.812
  183    HA   ILE  22           HA       ILE  22  -2.717   2.018  -2.883
  184    HB   ILE  22           HB       ILE  22  -5.307   1.768  -4.405
  185   1HG1  ILE  22          1HG1      ILE  22  -4.184   4.162  -2.876
  186   2HG1  ILE  22          2HG1      ILE  22  -4.220   4.032  -4.634
  187   1HG2  ILE  22          1HG2      ILE  22  -4.783   2.189  -1.428
  188   2HG2  ILE  22          2HG2      ILE  22  -6.382   2.085  -2.203
  189   3HG2  ILE  22          3HG2      ILE  22  -5.345   0.673  -2.164
  190   1HD1  ILE  22          1HD1      ILE  22  -6.720   3.886  -4.553
  191   2HD1  ILE  22          2HD1      ILE  22  -6.634   4.242  -2.806
  192   3HD1  ILE  22          3HD1      ILE  22  -6.041   5.421  -3.979
  193    H    PHE  23           H        PHE  23  -2.165   0.269  -1.985
  194    HA   PHE  23           HA       PHE  23  -3.100  -2.378  -2.957
  195   1HB   PHE  23          1HB       PHE  23  -0.876  -3.131  -1.574
  196   2HB   PHE  23          2HB       PHE  23  -0.948  -2.961  -3.311
  197    HD1  PHE  23           1HD      PHE  23   0.976  -2.036  -4.159
  198    HD2  PHE  23           2HD      PHE  23  -0.441  -0.718  -0.419
  199    HE1  PHE  23           1HE      PHE  23   2.764  -0.335  -4.165
  200    HE2  PHE  23           2HE      PHE  23   1.331   1.109  -0.366
  201    HZ   PHE  23           HZ       PHE  23   2.958   1.251  -2.250
  202    H    GLU  24           H        GLU  24  -3.052  -4.049  -1.330
  203    HA   GLU  24           HA       GLU  24  -4.655  -3.001   0.852
  204   1HB   GLU  24          1HB       GLU  24  -5.610  -4.851   0.100
  205   2HB   GLU  24          2HB       GLU  24  -4.156  -5.754  -0.112
  206   1HG   GLU  24          1HG       GLU  24  -3.950  -6.020   2.351
  207   2HG   GLU  24          2HG       GLU  24  -5.376  -4.993   2.586
  208    H    LYS  25           H        LYS  25  -4.013  -2.782   3.055
  209    HA   LYS  25           HA       LYS  25  -1.347  -2.103   3.643
  210   1HB   LYS  25          1HB       LYS  25  -3.303  -1.269   4.877
  211   2HB   LYS  25          2HB       LYS  25  -3.563  -2.872   5.577
  212   1HG   LYS  25          1HG       LYS  25  -1.404  -2.787   6.714
  213   2HG   LYS  25          2HG       LYS  25  -0.959  -1.301   5.859
  214   1HD   LYS  25          1HD       LYS  25  -2.739  -0.068   7.004
  215   2HD   LYS  25          2HD       LYS  25  -3.266  -1.553   7.839
  216   1HE   LYS  25          1HE       LYS  25  -1.039  -1.738   8.918
  217   2HE   LYS  25          2HE       LYS  25  -0.487  -0.299   8.053
  218   1HZ   LYS  25          1HZ       LYS  25  -2.199   0.987   9.216
  219   2HZ   LYS  25          2HZ       LYS  25  -2.680  -0.341  10.057
  220   3HZ   LYS  25          3HZ       LYS  25  -1.182   0.280  10.289
  221    H    SER  26           H        SER  26  -3.184  -5.061   4.218
  222    HA   SER  26           HA       SER  26  -1.255  -6.438   5.703
  223   1HB   SER  26          1HB       SER  26  -3.265  -7.707   3.807
  224   2HB   SER  26          2HB       SER  26  -2.484  -8.483   5.196
  225    HG   SER  26           HG       SER  26  -4.580  -7.719   5.724
  226    H    LEU  27           H        LEU  27  -1.501  -6.105   2.183
  227    HA   LEU  27           HA       LEU  27   0.413  -8.258   1.587
  228   1HB   LEU  27          1HB       LEU  27  -0.298  -6.080  -0.365
  229   2HB   LEU  27          2HB       LEU  27   0.144  -7.761  -0.654
  230    HG   LEU  27           HG       LEU  27  -2.473  -6.772   0.411
  231   1HD1  LEU  27          1HD1      LEU  27  -2.145  -6.110  -1.855
  232   2HD1  LEU  27          2HD1      LEU  27  -1.630  -7.748  -2.301
  233   3HD1  LEU  27          3HD1      LEU  27  -3.329  -7.439  -1.840
  234   1HD2  LEU  27          1HD2      LEU  27  -2.052  -9.039   1.220
  235   2HD2  LEU  27          2HD2      LEU  27  -3.358  -9.010   0.029
  236   3HD2  LEU  27          3HD2      LEU  27  -1.734  -9.584  -0.443
  237    H    LEU  28           H        LEU  28   0.397  -4.702   1.758
  238    HA   LEU  28           HA       LEU  28   3.136  -4.397   0.857
  239   1HB   LEU  28          1HB       LEU  28   1.475  -2.523   0.807
  240   2HB   LEU  28          2HB       LEU  28   1.562  -2.463   2.572
  241    HG   LEU  28           HG       LEU  28   4.135  -2.137   2.280
  242   1HD1  LEU  28          1HD1      LEU  28   4.808  -1.103   0.116
  243   2HD1  LEU  28          2HD1      LEU  28   4.421  -2.818  -0.036
  244   3HD1  LEU  28          3HD1      LEU  28   3.252  -1.592  -0.580
  245   1HD2  LEU  28          1HD2      LEU  28   3.866   0.268   1.850
  246   2HD2  LEU  28          2HD2      LEU  28   2.199  -0.036   1.324
  247   3HD2  LEU  28          3HD2      LEU  28   2.679  -0.390   2.989
  248    H    GLU  29           H        GLU  29   1.605  -4.512   4.100
  249    HA   GLU  29           HA       GLU  29   3.898  -4.277   5.720
  250   1HB   GLU  29          1HB       GLU  29   1.576  -4.260   6.528
  251   2HB   GLU  29          2HB       GLU  29   1.443  -5.996   6.219
  252   1HG   GLU  29          1HG       GLU  29   3.230  -6.432   7.878
  253   2HG   GLU  29          2HG       GLU  29   3.437  -4.694   8.126
  254    H    GLN  30           H        GLN  30   2.602  -7.205   4.139
  255    HA   GLN  30           HA       GLN  30   4.559  -9.050   5.154
  256   1HB   GLN  30          1HB       GLN  30   2.358  -9.536   3.897
  257   2HB   GLN  30          2HB       GLN  30   3.235  -9.198   2.417
  258   1HG   GLN  30          1HG       GLN  30   3.268 -11.557   2.693
  259   2HG   GLN  30          2HG       GLN  30   4.896 -11.006   3.055
  260   1HE2  GLN  30          1HE2      GLN  30   1.820 -12.162   4.537
  261   2HE2  GLN  30          2HE2      GLN  30   2.589 -12.661   6.038
  262    H    TYR  31           H        TYR  31   4.512  -7.111   2.144
  263    HA   TYR  31           HA       TYR  31   6.950  -8.227   1.079
  264   1HB   TYR  31          1HB       TYR  31   5.020  -7.224  -0.198
  265   2HB   TYR  31          2HB       TYR  31   5.500  -5.639   0.385
  266    HD1  TYR  31           1HD      TYR  31   6.744  -4.347  -1.148
  267    HD2  TYR  31           2HD      TYR  31   7.091  -8.629  -1.243
  268    HE1  TYR  31           1HE      TYR  31   8.273  -4.204  -3.116
  269    HE2  TYR  31           2HE      TYR  31   8.497  -8.452  -3.338
  270    HH   TYR  31           HH       TYR  31   9.561  -7.069  -4.775
  271    H    VAL  32           H        VAL  32   6.190  -5.364   2.940
  272    HA   VAL  32           HA       VAL  32   8.837  -4.275   2.636
  273    HB   VAL  32           HB       VAL  32   6.557  -3.069   2.822
  274   1HG1  VAL  32          1HG1      VAL  32   7.074  -3.041   5.824
  275   2HG1  VAL  32          2HG1      VAL  32   5.651  -2.461   4.921
  276   3HG1  VAL  32          3HG1      VAL  32   5.978  -4.190   5.043
  277   1HG2  VAL  32          1HG2      VAL  32   8.873  -1.976   4.472
  278   2HG2  VAL  32          2HG2      VAL  32   8.507  -1.695   2.740
  279   3HG2  VAL  32          3HG2      VAL  32   7.439  -1.064   3.988
  280    H    LYS  33           H        LYS  33   7.391  -6.326   4.949
  281    HA   LYS  33           HA       LYS  33   9.690  -6.057   6.860
  282   1HB   LYS  33          1HB       LYS  33   8.596  -7.298   8.432
  283   2HB   LYS  33          2HB       LYS  33   7.315  -6.336   7.706
  284   1HG   LYS  33          1HG       LYS  33   6.693  -8.382   6.330
  285   2HG   LYS  33          2HG       LYS  33   7.915  -9.293   7.225
  286   1HD   LYS  33          1HD       LYS  33   6.737  -8.812   9.354
  287   2HD   LYS  33          2HD       LYS  33   5.568  -7.808   8.491
  288   1HE   LYS  33          1HE       LYS  33   4.547  -9.935   8.941
  289   2HE   LYS  33          2HE       LYS  33   4.793  -9.765   7.203
  290   1HZ   LYS  33          1HZ       LYS  33   6.748 -11.195   7.403
  291   2HZ   LYS  33          2HZ       LYS  33   6.534 -11.344   9.027
  292   3HZ   LYS  33          3HZ       LYS  33   5.441 -11.962   7.975
  293    H    ASP  34           H        ASP  34   8.815  -7.808   4.122
  294    HA   ASP  34           HA       ASP  34  10.655 -10.064   4.418
  295   1HB   ASP  34          1HB       ASP  34   8.745  -9.078   2.425
  296   2HB   ASP  34          2HB       ASP  34  10.244  -9.433   1.647
  297    H    THR  35           H        THR  35  10.699  -7.132   2.366
  298    HA   THR  35           HA       THR  35  13.697  -6.995   2.523
  299    HB   THR  35           HB       THR  35  13.787  -6.555   0.144
  300    HG1  THR  35           1HG      THR  35  11.952  -6.913  -1.117
  301   1HG2  THR  35          1HG2      THR  35  12.342  -9.186   0.597
  302   2HG2  THR  35          2HG2      THR  35  13.426  -8.761  -0.742
  303   3HG2  THR  35          3HG2      THR  35  14.070  -8.896   0.905
  304    H    GLY  36           H        GLY  36  10.696  -5.304   2.544
  305   1HA   GLY  36          1HA       GLY  36  10.382  -3.124   3.276
  306   2HA   GLY  36          2HA       GLY  36  12.086  -2.790   3.118
  307    H    ASN  37           H        ASN  37  11.585  -4.057   0.235
  308    HA   ASN  37           HA       ASN  37  11.774  -1.443  -1.055
  309   1HB   ASN  37          1HB       ASN  37  11.402  -4.233  -2.235
  310   2HB   ASN  37          2HB       ASN  37  11.898  -2.811  -3.133
  311   1HD2  ASN  37          1HD2      ASN  37  14.087  -1.817  -2.575
  312   2HD2  ASN  37          2HD2      ASN  37  15.251  -2.898  -1.822
  313    H    ASP  38           H        ASP  38  10.307  -0.306  -2.331
  314    HA   ASP  38           HA       ASP  38   7.459  -0.863  -2.126
  315   1HB   ASP  38          1HB       ASP  38   9.124   1.223  -3.362
  316   2HB   ASP  38          2HB       ASP  38   7.886   0.697  -4.474
  317    HA   PRO  39           HA       PRO  39   7.260  -4.153  -5.092
  318   1HB   PRO  39          1HB       PRO  39   4.663  -4.145  -5.918
  319   2HB   PRO  39          2HB       PRO  39   5.183  -4.542  -4.253
  320   1HG   PRO  39          1HG       PRO  39   4.230  -1.852  -5.297
  321   2HG   PRO  39          2HG       PRO  39   3.608  -2.753  -3.877
  322   1HD   PRO  39          1HD       PRO  39   5.439  -0.812  -3.566
  323   2HD   PRO  39          2HD       PRO  39   5.575  -2.329  -2.622
  324    H    ILE  40           H        ILE  40   7.254  -0.997  -6.222
  325    HA   ILE  40           HA       ILE  40   7.071  -1.778  -9.127
  326    HB   ILE  40           HB       ILE  40   5.835   0.574  -7.689
  327   1HG1  ILE  40          1HG1      ILE  40   4.526  -1.181  -9.793
  328   2HG1  ILE  40          2HG1      ILE  40   4.660  -1.775  -8.143
  329   1HG2  ILE  40          1HG2      ILE  40   5.195   1.472  -9.954
  330   2HG2  ILE  40          2HG2      ILE  40   6.919   1.574  -9.637
  331   3HG2  ILE  40          3HG2      ILE  40   6.291   0.291 -10.693
  332   1HD1  ILE  40          1HD1      ILE  40   3.334   0.875  -8.811
  333   2HD1  ILE  40          2HD1      ILE  40   2.487  -0.667  -8.610
  334   3HD1  ILE  40          3HD1      ILE  40   3.387   0.022  -7.243
  335    H    THR  41           H        THR  41   8.328   0.758  -6.864
  336    HA   THR  41           HA       THR  41  10.391   1.500  -8.837
  337    HB   THR  41           HB       THR  41  11.147   3.150  -7.219
  338    HG1  THR  41           1HG      THR  41   8.923   2.207  -5.802
  339   1HG2  THR  41          1HG2      THR  41   9.185   4.605  -7.245
  340   2HG2  THR  41          2HG2      THR  41   9.353   3.785  -8.807
  341   3HG2  THR  41          3HG2      THR  41   8.124   3.236  -7.646
  342    H    ASN  42           H        ASN  42  10.088  -0.742  -6.299
  343    HA   ASN  42           HA       ASN  42  11.324  -1.748  -4.825
  344   1HB   ASN  42          1HB       ASN  42  12.624  -3.312  -5.579
  345   2HB   ASN  42          2HB       ASN  42  12.002  -2.780  -7.136
  346   1HD2  ASN  42          1HD2      ASN  42  13.716  -0.502  -7.618
  347   2HD2  ASN  42          2HD2      ASN  42  15.345  -1.161  -7.784
  348    H    GLU  43           H        GLU  43  11.580   1.113  -4.757
  349    HA   GLU  43           HA       GLU  43  14.272   1.622  -3.676
  350   1HB   GLU  43          1HB       GLU  43  11.673   3.145  -3.622
  351   2HB   GLU  43          2HB       GLU  43  13.146   3.748  -2.856
  352   1HG   GLU  43          1HG       GLU  43  13.625   2.877  -5.643
  353   2HG   GLU  43          2HG       GLU  43  12.309   4.023  -5.538
  354    HA   PRO  44           HA       PRO  44  13.415  -0.581   0.029
  355   1HB   PRO  44          1HB       PRO  44  15.452   0.208   1.685
  356   2HB   PRO  44          2HB       PRO  44  15.674  -0.830   0.246
  357   1HG   PRO  44          1HG       PRO  44  16.066   2.173   0.444
  358   2HG   PRO  44          2HG       PRO  44  17.177   0.949  -0.257
  359   1HD   PRO  44          1HD       PRO  44  15.488   2.395  -1.819
  360   2HD   PRO  44          2HD       PRO  44  15.808   0.668  -2.167
  361    H    LEU  45           H        LEU  45  12.150  -0.469   1.650
  362    HA   LEU  45           HA       LEU  45  10.914   0.018   3.404
  363   1HB   LEU  45          1HB       LEU  45  12.722   2.394   3.822
  364   2HB   LEU  45          2HB       LEU  45  11.332   2.070   4.849
  365    HG   LEU  45           HG       LEU  45  13.436  -0.077   4.360
  366   1HD1  LEU  45          1HD1      LEU  45  14.594   1.907   5.265
  367   2HD1  LEU  45          2HD1      LEU  45  13.395   2.023   6.574
  368   3HD1  LEU  45          3HD1      LEU  45  14.493   0.625   6.480
  369   1HD2  LEU  45          1HD2      LEU  45  12.635  -0.926   6.534
  370   2HD2  LEU  45          2HD2      LEU  45  11.453   0.395   6.628
  371   3HD2  LEU  45          3HD2      LEU  45  11.319  -0.851   5.366
  372    H    SER  46           H        SER  46   8.952   0.693   3.668
  373    HA   SER  46           HA       SER  46   7.797   2.623   1.711
  374   1HB   SER  46          1HB       SER  46   7.786   0.085   1.076
  375   2HB   SER  46          2HB       SER  46   6.462  -0.018   2.228
  376    HG   SER  46           HG       SER  46   6.614   1.525  -0.152
  377    H    ILE  47           H        ILE  47   6.945   0.468   4.399
  378    HA   ILE  47           HA       ILE  47   4.901   1.930   5.470
  379    HB   ILE  47           HB       ILE  47   5.567  -0.437   5.981
  380   1HG1  ILE  47          1HG1      ILE  47   4.876  -0.476   8.377
  381   2HG1  ILE  47          2HG1      ILE  47   4.905   1.292   8.388
  382   1HG2  ILE  47          1HG2      ILE  47   7.976  -0.017   6.487
  383   2HG2  ILE  47          2HG2      ILE  47   7.490   0.757   8.016
  384   3HG2  ILE  47          3HG2      ILE  47   7.148  -0.960   7.733
  385   1HD1  ILE  47          1HD1      ILE  47   2.626   0.312   7.992
  386   2HD1  ILE  47          2HD1      ILE  47   3.157   1.341   6.653
  387   3HD1  ILE  47          3HD1      ILE  47   3.227  -0.426   6.487
  388    H    GLU  48           H        GLU  48   8.246   2.529   5.933
  389    HA   GLU  48           HA       GLU  48   8.024   4.543   8.019
  390   1HB   GLU  48          1HB       GLU  48  10.201   3.957   5.972
  391   2HB   GLU  48          2HB       GLU  48  10.360   5.120   7.288
  392   1HG   GLU  48          1HG       GLU  48   9.910   2.122   7.643
  393   2HG   GLU  48          2HG       GLU  48  11.450   2.953   7.773
  394    H    GLU  49           H        GLU  49   6.980   4.462   4.844
  395    HA   GLU  49           HA       GLU  49   6.979   7.450   4.570
  396   1HB   GLU  49          1HB       GLU  49   7.392   5.399   2.350
  397   2HB   GLU  49          2HB       GLU  49   7.255   7.133   2.112
  398   1HG   GLU  49          1HG       GLU  49   9.502   5.685   3.578
  399   2HG   GLU  49          2HG       GLU  49   9.568   6.358   1.959
  400    H    ILE  50           H        ILE  50   5.104   5.011   5.258
  401    HA   ILE  50           HA       ILE  50   3.169   4.758   3.357
  402    HB   ILE  50           HB       ILE  50   3.651   3.430   5.460
  403   1HG1  ILE  50          1HG1      ILE  50   1.288   2.554   5.670
  404   2HG1  ILE  50          2HG1      ILE  50   0.806   3.788   4.510
  405   1HG2  ILE  50          1HG2      ILE  50   1.521   5.154   6.760
  406   2HG2  ILE  50          2HG2      ILE  50   2.367   3.761   7.459
  407   3HG2  ILE  50          3HG2      ILE  50   3.266   5.243   7.108
  408   1HD1  ILE  50          1HD1      ILE  50   2.973   1.671   4.064
  409   2HD1  ILE  50          2HD1      ILE  50   1.316   1.560   3.467
  410   3HD1  ILE  50          3HD1      ILE  50   2.385   2.815   2.840
  411    H    VAL  51           H        VAL  51   1.334   5.429   2.826
  412    HA   VAL  51           HA       VAL  51  -0.072   7.722   4.171
  413    HB   VAL  51           HB       VAL  51   0.038   7.206   1.181
  414   1HG1  VAL  51          1HG1      VAL  51  -1.343   9.413   2.775
  415   2HG1  VAL  51          2HG1      VAL  51  -1.231   9.326   1.004
  416   3HG1  VAL  51          3HG1      VAL  51  -2.155   8.110   1.884
  417   1HG2  VAL  51          1HG2      VAL  51   1.201   9.494   2.824
  418   2HG2  VAL  51          2HG2      VAL  51   2.127   8.239   1.976
  419   3HG2  VAL  51          3HG2      VAL  51   1.173   9.395   1.046
  420    H    GLU  52           H        GLU  52  -1.342   6.291   5.421
  421    HA   GLU  52           HA       GLU  52  -2.655   4.051   4.099
  422   1HB   GLU  52          1HB       GLU  52  -3.520   4.988   6.820
  423   2HB   GLU  52          2HB       GLU  52  -3.524   3.375   6.075
  424   1HG   GLU  52          1HG       GLU  52  -1.046   3.309   6.242
  425   2HG   GLU  52          2HG       GLU  52  -1.066   4.883   7.051
  426    H    ILE  53           H        ILE  53  -4.779   3.717   3.575
  427    HA   ILE  53           HA       ILE  53  -6.347   6.197   3.044
  428    HB   ILE  53           HB       ILE  53  -6.456   3.495   1.713
  429   1HG1  ILE  53          1HG1      ILE  53  -4.288   4.394   1.173
  430   2HG1  ILE  53          2HG1      ILE  53  -5.325   4.451  -0.233
  431   1HG2  ILE  53          1HG2      ILE  53  -7.746   6.133   0.937
  432   2HG2  ILE  53          2HG2      ILE  53  -7.678   4.699  -0.111
  433   3HG2  ILE  53          3HG2      ILE  53  -8.560   4.623   1.413
  434   1HD1  ILE  53          1HD1      ILE  53  -3.964   6.474  -0.070
  435   2HD1  ILE  53          2HD1      ILE  53  -5.673   6.896   0.110
  436   3HD1  ILE  53          3HD1      ILE  53  -4.609   6.831   1.539
  437    H    VAL  54           H        VAL  54  -8.497   6.308   3.583
  438    HA   VAL  54           HA       VAL  54  -9.407   4.819   5.862
  439    HB   VAL  54           HB       VAL  54 -11.100   6.587   4.054
  440   1HG1  VAL  54          1HG1      VAL  54 -12.390   5.209   5.691
  441   2HG1  VAL  54          2HG1      VAL  54 -11.369   5.830   7.005
  442   3HG1  VAL  54          3HG1      VAL  54 -12.437   6.922   6.100
  443   1HG2  VAL  54          1HG2      VAL  54  -9.166   7.894   4.812
  444   2HG2  VAL  54          2HG2      VAL  54 -10.599   8.383   5.710
  445   3HG2  VAL  54          3HG2      VAL  54  -9.398   7.323   6.479
  446    HA   PRO  55           HA       PRO  55 -10.784   1.351   3.418
  447   1HB   PRO  55          1HB       PRO  55 -11.775  -0.315   5.342
  448   2HB   PRO  55          2HB       PRO  55 -10.041   0.096   5.212
  449   1HG   PRO  55          1HG       PRO  55 -12.116   1.403   7.006
  450   2HG   PRO  55          2HG       PRO  55 -10.522   0.731   7.478
  451   1HD   PRO  55          1HD       PRO  55 -10.841   3.377   6.967
  452   2HD   PRO  55          2HD       PRO  55  -9.363   2.521   6.442
  453    H    SER  56           H        SER  56 -13.083   3.394   4.929
  454    HA   SER  56           HA       SER  56 -15.298   2.288   3.282
  455   1HB   SER  56          1HB       SER  56 -15.513   1.259   5.528
  456   2HB   SER  56          2HB       SER  56 -15.560   2.877   6.255
  457    HG   SER  56           HG       SER  56 -17.667   1.993   5.863
  Start of MODEL   13
    1    H    MET   1           H        MET   1  -6.025   2.159  -8.073
    2    HA   MET   1           HA       MET   1  -7.298   1.328  -5.926
    3   1HB   MET   1          1HB       MET   1  -8.364   1.017  -8.762
    4   2HB   MET   1          2HB       MET   1  -9.362   0.834  -7.322
    5   1HG   MET   1          1HG       MET   1  -9.717   3.034  -8.037
    6   2HG   MET   1          2HG       MET   1  -8.723   3.125  -6.585
    7   1HE   MET   1          1HE       MET   1  -7.599   6.315  -8.495
    8   2HE   MET   1          2HE       MET   1  -9.231   5.632  -8.337
    9   3HE   MET   1          3HE       MET   1  -8.123   5.631  -6.945
   10    H    LEU   2           H        LEU   2  -5.625  -0.916  -7.673
   11    HA   LEU   2           HA       LEU   2  -6.577  -3.055  -5.906
   12   1HB   LEU   2          1HB       LEU   2  -6.705  -4.763  -7.476
   13   2HB   LEU   2          2HB       LEU   2  -7.657  -3.461  -8.165
   14    HG   LEU   2           HG       LEU   2  -4.816  -4.241  -9.003
   15   1HD1  LEU   2          1HD1      LEU   2  -5.891  -5.133 -11.014
   16   2HD1  LEU   2          2HD1      LEU   2  -6.511  -5.932  -9.564
   17   3HD1  LEU   2          3HD1      LEU   2  -7.492  -4.692 -10.374
   18   1HD2  LEU   2          1HD2      LEU   2  -6.765  -2.235 -10.225
   19   2HD2  LEU   2          2HD2      LEU   2  -5.161  -1.883  -9.536
   20   3HD2  LEU   2          3HD2      LEU   2  -5.285  -2.828 -11.018
   21    H    CYS   3           H        CYS   3  -5.032  -4.396  -5.051
   22    HA   CYS   3           HA       CYS   3  -2.759  -3.059  -4.637
   23   1HB   CYS   3          1HB       CYS   3  -2.968  -6.041  -4.072
   24   2HB   CYS   3          2HB       CYS   3  -2.239  -4.808  -3.120
   25    HG   CYS   3           HG       CYS   3  -4.445  -6.203  -2.340
   26    H    ALA   4           H        ALA   4  -0.773  -2.859  -5.162
   27    HA   ALA   4           HA       ALA   4   0.147  -4.024  -7.681
   28   1HB   ALA   4          1HB       ALA   4   1.853  -2.515  -5.708
   29   2HB   ALA   4          2HB       ALA   4   2.120  -2.743  -7.428
   30   3HB   ALA   4          3HB       ALA   4   0.772  -1.724  -6.889
   31    H    ILE   5           H        ILE   5   0.265  -5.102  -4.391
   32    HA   ILE   5           HA       ILE   5   2.551  -6.941  -4.815
   33    HB   ILE   5           HB       ILE   5   0.711  -6.395  -2.483
   34   1HG1  ILE   5          1HG1      ILE   5   3.174  -5.878  -1.518
   35   2HG1  ILE   5          2HG1      ILE   5   3.432  -5.450  -3.207
   36   1HG2  ILE   5          1HG2      ILE   5   2.252  -7.906  -1.168
   37   2HG2  ILE   5          2HG2      ILE   5   1.374  -8.802  -2.398
   38   3HG2  ILE   5          3HG2      ILE   5   3.072  -8.344  -2.674
   39   1HD1  ILE   5          1HD1      ILE   5   1.515  -3.865  -3.070
   40   2HD1  ILE   5          2HD1      ILE   5   1.171  -4.417  -1.409
   41   3HD1  ILE   5          3HD1      ILE   5   2.660  -3.548  -1.769
   42    H    SER   6           H        SER   6  -0.935  -7.306  -4.033
   43    HA   SER   6           HA       SER   6  -0.831 -10.093  -5.126
   44   1HB   SER   6          1HB       SER   6  -1.011  -9.798  -2.621
   45   2HB   SER   6          2HB       SER   6  -2.656  -9.198  -2.919
   46    HG   SER   6           HG       SER   6  -3.005 -11.244  -4.057
   47    H    GLY   7           H        GLY   7  -2.472  -7.109  -5.577
   48   1HA   GLY   7          1HA       GLY   7  -3.844  -6.606  -7.384
   49   2HA   GLY   7          2HA       GLY   7  -3.809  -8.322  -7.782
   50    H    LYS   8           H        LYS   8  -4.735  -7.822  -4.704
   51    HA   LYS   8           HA       LYS   8  -7.493  -8.731  -4.935
   52   1HB   LYS   8          1HB       LYS   8  -5.897  -9.447  -3.244
   53   2HB   LYS   8          2HB       LYS   8  -5.601  -7.795  -2.731
   54   1HG   LYS   8          1HG       LYS   8  -7.881  -7.686  -1.762
   55   2HG   LYS   8          2HG       LYS   8  -8.246  -9.303  -2.417
   56   1HD   LYS   8          1HD       LYS   8  -6.376 -10.241  -1.034
   57   2HD   LYS   8          2HD       LYS   8  -6.042  -8.622  -0.430
   58   1HE   LYS   8          1HE       LYS   8  -7.278  -9.698   1.275
   59   2HE   LYS   8          2HE       LYS   8  -8.359  -8.521   0.531
   60   1HZ   LYS   8          1HZ       LYS   8  -9.428 -10.704   0.881
   61   2HZ   LYS   8          2HZ       LYS   8  -9.388 -10.356  -0.718
   62   3HZ   LYS   8          3HZ       LYS   8  -8.341 -11.441  -0.077
   63    H    VAL   9           H        VAL   9  -9.298  -7.605  -3.923
   64    HA   VAL   9           HA       VAL   9  -9.472  -4.720  -4.471
   65    HB   VAL   9           HB       VAL   9 -11.338  -6.031  -5.065
   66   1HG1  VAL   9          1HG1      VAL   9 -11.875  -6.772  -2.166
   67   2HG1  VAL   9          2HG1      VAL   9 -12.854  -7.154  -3.584
   68   3HG1  VAL   9          3HG1      VAL   9 -11.260  -7.887  -3.409
   69   1HG2  VAL   9          1HG2      VAL   9 -11.675  -3.706  -4.314
   70   2HG2  VAL   9          2HG2      VAL   9 -13.100  -4.721  -4.026
   71   3HG2  VAL   9          3HG2      VAL   9 -12.036  -4.287  -2.671
   72    HA   PRO  10           HA       PRO  10  -7.357  -4.330  -0.574
   73   1HB   PRO  10          1HB       PRO  10  -8.077  -1.413  -0.745
   74   2HB   PRO  10          2HB       PRO  10  -6.488  -2.176  -0.426
   75   1HG   PRO  10          1HG       PRO  10  -7.107  -1.120  -2.860
   76   2HG   PRO  10          2HG       PRO  10  -6.174  -2.639  -2.728
   77   1HD   PRO  10          1HD       PRO  10  -9.118  -2.276  -3.302
   78   2HD   PRO  10          2HD       PRO  10  -7.940  -3.384  -4.056
   79    H    ARG  11           H        ARG  11  -8.295  -5.138   1.220
   80    HA   ARG  11           HA       ARG  11 -10.778  -4.053   2.382
   81   1HB   ARG  11          1HB       ARG  11  -8.735  -5.967   3.596
   82   2HB   ARG  11          2HB       ARG  11 -10.338  -5.603   4.234
   83   1HG   ARG  11          1HG       ARG  11  -9.712  -7.059   1.628
   84   2HG   ARG  11          2HG       ARG  11 -10.386  -7.741   3.114
   85   1HD   ARG  11          1HD       ARG  11 -12.399  -6.249   2.810
   86   2HD   ARG  11          2HD       ARG  11 -11.711  -5.731   1.254
   87    HE   ARG  11           HE       ARG  11 -12.004  -8.638   1.553
   88   1HH1  ARG  11          2HH2      ARG  11 -13.693  -5.774   0.463
   89   2HH1  ARG  11          1HH2      ARG  11 -14.758  -6.690  -0.573
   90   1HH2  ARG  11          2HH1      ARG  11 -13.384  -9.741   0.226
   91   2HH2  ARG  11          1HH1      ARG  11 -14.575  -8.872  -0.694
   92    H    ARG  12           H        ARG  12  -7.319  -3.691   3.057
   93    HA   ARG  12           HA       ARG  12  -7.947  -1.143   4.549
   94   1HB   ARG  12          1HB       ARG  12  -5.717  -3.139   4.997
   95   2HB   ARG  12          2HB       ARG  12  -5.700  -1.474   5.613
   96   1HG   ARG  12          1HG       ARG  12  -7.817  -1.919   6.848
   97   2HG   ARG  12          2HG       ARG  12  -7.792  -3.590   6.265
   98   1HD   ARG  12          1HD       ARG  12  -6.919  -3.558   8.502
   99   2HD   ARG  12          2HD       ARG  12  -5.586  -3.925   7.397
  100    HE   ARG  12           HE       ARG  12  -5.520  -1.109   7.786
  101   1HH1  ARG  12          2HH2      ARG  12  -5.173  -3.856   9.949
  102   2HH1  ARG  12          1HH2      ARG  12  -4.205  -2.920  11.058
  103   1HH2  ARG  12          2HH1      ARG  12  -4.334  -0.073   9.104
  104   2HH2  ARG  12          1HH1      ARG  12  -3.780  -0.761  10.635
  105    HA   PRO  13           HA       PRO  13  -5.956  -0.121   0.503
  106   1HB   PRO  13          1HB       PRO  13  -7.157   2.396   0.263
  107   2HB   PRO  13          2HB       PRO  13  -7.785   0.871  -0.404
  108   1HG   PRO  13          1HG       PRO  13  -8.500   2.171   2.242
  109   2HG   PRO  13          2HG       PRO  13  -9.604   1.480   1.002
  110   1HD   PRO  13          1HD       PRO  13  -9.004  -0.036   3.099
  111   2HD   PRO  13          2HD       PRO  13  -8.794  -0.741   1.451
  112    H    VAL  14           H        VAL  14  -4.090   0.574   0.482
  113    HA   VAL  14           HA       VAL  14  -3.223   2.989   1.999
  114    HB   VAL  14           HB       VAL  14  -2.815   0.977   3.434
  115   1HG1  VAL  14          1HG1      VAL  14  -0.846  -0.421   2.963
  116   2HG1  VAL  14          2HG1      VAL  14  -2.107  -0.668   1.727
  117   3HG1  VAL  14          3HG1      VAL  14  -0.675   0.346   1.398
  118   1HG2  VAL  14          1HG2      VAL  14  -1.396   3.113   3.542
  119   2HG2  VAL  14          2HG2      VAL  14  -0.761   1.652   4.256
  120   3HG2  VAL  14          3HG2      VAL  14  -0.157   2.224   2.675
  121    H    LEU  15           H        LEU  15  -1.383   3.975   1.346
  122    HA   LEU  15           HA       LEU  15  -0.537   3.521  -1.483
  123   1HB   LEU  15          1HB       LEU  15  -2.259   5.177  -1.444
  124   2HB   LEU  15          2HB       LEU  15  -1.677   5.876   0.054
  125    HG   LEU  15           HG       LEU  15   0.302   6.824  -1.164
  126   1HD1  LEU  15          1HD1      LEU  15   0.308   5.377  -3.179
  127   2HD1  LEU  15          2HD1      LEU  15  -1.298   5.980  -3.622
  128   3HD1  LEU  15          3HD1      LEU  15   0.092   7.082  -3.612
  129   1HD2  LEU  15          1HD2      LEU  15  -1.709   8.142  -0.623
  130   2HD2  LEU  15          2HD2      LEU  15  -0.996   8.648  -2.162
  131   3HD2  LEU  15          3HD2      LEU  15  -2.459   7.633  -2.153
  132    H    SER  16           H        SER  16   1.503   4.227  -2.005
  133    HA   SER  16           HA       SER  16   3.330   5.277   0.105
  134   1HB   SER  16          1HB       SER  16   3.983   2.959  -0.320
  135   2HB   SER  16          2HB       SER  16   4.055   3.292  -2.066
  136    HG   SER  16           HG       SER  16   6.091   3.433  -1.127
  137    HA   PRO  17           HA       PRO  17   3.447   8.603  -3.013
  138   1HB   PRO  17          1HB       PRO  17   5.971   9.176  -1.446
  139   2HB   PRO  17          2HB       PRO  17   4.742  10.328  -2.055
  140   1HG   PRO  17          1HG       PRO  17   4.714   9.573   0.539
  141   2HG   PRO  17          2HG       PRO  17   3.169   9.633  -0.375
  142   1HD   PRO  17          1HD       PRO  17   4.863   7.209   0.276
  143   2HD   PRO  17          2HD       PRO  17   3.089   7.414   0.346
  144    H    LYS  18           H        LYS  18   5.627   6.007  -2.793
  145    HA   LYS  18           HA       LYS  18   7.531   6.933  -4.849
  146   1HB   LYS  18          1HB       LYS  18   7.468   4.278  -3.392
  147   2HB   LYS  18          2HB       LYS  18   8.800   4.975  -4.312
  148   1HG   LYS  18          1HG       LYS  18   8.885   6.852  -2.612
  149   2HG   LYS  18          2HG       LYS  18   7.638   6.001  -1.678
  150   1HD   LYS  18          1HD       LYS  18   9.196   3.992  -1.595
  151   2HD   LYS  18          2HD       LYS  18  10.449   5.067  -2.274
  152   1HE   LYS  18          1HE       LYS  18  10.165   6.613  -0.375
  153   2HE   LYS  18          2HE       LYS  18   8.898   5.577   0.291
  154   1HZ   LYS  18          1HZ       LYS  18  11.056   5.181   1.340
  155   2HZ   LYS  18          2HZ       LYS  18  10.528   3.823   0.610
  156   3HZ   LYS  18          3HZ       LYS  18  11.721   4.718  -0.076
  157    H    SER  19           H        SER  19   5.633   3.849  -4.556
  158    HA   SER  19           HA       SER  19   5.466   3.476  -7.411
  159   1HB   SER  19          1HB       SER  19   3.801   2.284  -5.163
  160   2HB   SER  19          2HB       SER  19   3.852   1.705  -6.841
  161    HG   SER  19           HG       SER  19   5.804   1.672  -4.829
  162    H    ARG  20           H        ARG  20   3.395   5.086  -5.065
  163    HA   ARG  20           HA       ARG  20   1.508   6.277  -5.113
  164   1HB   ARG  20          1HB       ARG  20   2.169   6.805  -8.025
  165   2HB   ARG  20          2HB       ARG  20   1.024   7.719  -7.028
  166   1HG   ARG  20          1HG       ARG  20   2.851   8.254  -5.420
  167   2HG   ARG  20          2HG       ARG  20   4.006   7.431  -6.483
  168   1HD   ARG  20          1HD       ARG  20   3.478   9.032  -8.294
  169   2HD   ARG  20          2HD       ARG  20   2.361   9.883  -7.199
  170    HE   ARG  20           HE       ARG  20   4.927   9.596  -5.936
  171   1HH1  ARG  20          2HH2      ARG  20   3.519  11.538  -8.491
  172   2HH1  ARG  20          1HH2      ARG  20   4.675  12.826  -8.253
  173   1HH2  ARG  20          2HH1      ARG  20   6.329  11.226  -5.690
  174   2HH2  ARG  20          1HH1      ARG  20   6.231  12.650  -6.695
  175    H    THR  21           H        THR  21   1.433   3.347  -6.258
  176    HA   THR  21           HA       THR  21  -1.265   3.071  -7.313
  177    HB   THR  21           HB       THR  21  -0.703   0.665  -7.012
  178    HG1  THR  21           1HG      THR  21   0.605   0.894  -5.140
  179   1HG2  THR  21          1HG2      THR  21   1.759   2.075  -8.126
  180   2HG2  THR  21          2HG2      THR  21   1.152   0.466  -8.535
  181   3HG2  THR  21          3HG2      THR  21   0.234   1.902  -9.040
  182    H    ILE  22           H        ILE  22  -2.738   1.375  -5.988
  183    HA   ILE  22           HA       ILE  22  -2.641   1.980  -3.057
  184    HB   ILE  22           HB       ILE  22  -5.137   1.674  -4.721
  185   1HG1  ILE  22          1HG1      ILE  22  -4.054   4.171  -3.327
  186   2HG1  ILE  22          2HG1      ILE  22  -3.996   3.894  -5.068
  187   1HG2  ILE  22          1HG2      ILE  22  -5.324   0.752  -2.411
  188   2HG2  ILE  22          2HG2      ILE  22  -4.739   2.293  -1.755
  189   3HG2  ILE  22          3HG2      ILE  22  -6.306   2.197  -2.588
  190   1HD1  ILE  22          1HD1      ILE  22  -5.827   5.351  -4.636
  191   2HD1  ILE  22          2HD1      ILE  22  -6.487   3.784  -5.143
  192   3HD1  ILE  22          3HD1      ILE  22  -6.518   4.263  -3.424
  193    H    PHE  23           H        PHE  23  -2.211   0.290  -2.004
  194    HA   PHE  23           HA       PHE  23  -3.050  -2.425  -2.889
  195   1HB   PHE  23          1HB       PHE  23  -0.831  -3.034  -1.453
  196   2HB   PHE  23          2HB       PHE  23  -0.884  -2.908  -3.196
  197    HD1  PHE  23           1HD      PHE  23   0.734  -1.583  -4.222
  198    HD2  PHE  23           2HD      PHE  23  -0.309  -0.902  -0.202
  199    HE1  PHE  23           1HE      PHE  23   2.485   0.156  -4.143
  200    HE2  PHE  23           2HE      PHE  23   1.283   1.122  -0.124
  201    HZ   PHE  23           HZ       PHE  23   2.712   1.573  -2.099
  202    H    GLU  24           H        GLU  24  -2.676  -4.023  -1.018
  203    HA   GLU  24           HA       GLU  24  -4.529  -3.006   1.019
  204   1HB   GLU  24          1HB       GLU  24  -5.373  -4.900   0.040
  205   2HB   GLU  24          2HB       GLU  24  -3.890  -5.809   0.201
  206   1HG   GLU  24          1HG       GLU  24  -4.125  -5.890   2.628
  207   2HG   GLU  24          2HG       GLU  24  -5.481  -4.753   2.581
  208    H    LYS  25           H        LYS  25  -3.867  -2.684   3.156
  209    HA   LYS  25           HA       LYS  25  -1.159  -2.270   3.799
  210   1HB   LYS  25          1HB       LYS  25  -3.139  -1.213   4.934
  211   2HB   LYS  25          2HB       LYS  25  -3.546  -2.784   5.624
  212   1HG   LYS  25          1HG       LYS  25  -2.534  -1.538   7.327
  213   2HG   LYS  25          2HG       LYS  25  -1.373  -2.780   6.879
  214   1HD   LYS  25          1HD       LYS  25  -0.132  -1.084   5.507
  215   2HD   LYS  25          2HD       LYS  25  -1.307   0.145   6.002
  216   1HE   LYS  25          1HE       LYS  25   0.586  -1.397   7.832
  217   2HE   LYS  25          2HE       LYS  25   0.778   0.274   7.306
  218   1HZ   LYS  25          1HZ       LYS  25  -0.210   0.357   9.446
  219   2HZ   LYS  25          2HZ       LYS  25  -1.461   0.684   8.423
  220   3HZ   LYS  25          3HZ       LYS  25  -1.317  -0.789   9.103
  221    H    SER  26           H        SER  26  -3.240  -5.043   4.447
  222    HA   SER  26           HA       SER  26  -1.495  -6.430   6.075
  223   1HB   SER  26          1HB       SER  26  -3.366  -7.686   4.034
  224   2HB   SER  26          2HB       SER  26  -2.712  -8.476   5.481
  225    HG   SER  26           HG       SER  26  -4.828  -7.629   5.825
  226    H    LEU  27           H        LEU  27  -1.511  -6.374   2.502
  227    HA   LEU  27           HA       LEU  27   0.692  -8.365   2.444
  228   1HB   LEU  27          1HB       LEU  27   0.144  -8.617   0.018
  229   2HB   LEU  27          2HB       LEU  27  -0.936  -9.237   1.237
  230    HG   LEU  27           HG       LEU  27  -2.168  -6.862   0.781
  231   1HD1  LEU  27          1HD1      LEU  27  -2.344  -6.521  -1.614
  232   2HD1  LEU  27          2HD1      LEU  27  -0.764  -6.091  -0.926
  233   3HD1  LEU  27          3HD1      LEU  27  -0.967  -7.623  -1.842
  234   1HD2  LEU  27          1HD2      LEU  27  -3.709  -8.171  -0.709
  235   2HD2  LEU  27          2HD2      LEU  27  -2.529  -9.507  -0.657
  236   3HD2  LEU  27          3HD2      LEU  27  -3.321  -8.955   0.827
  237    H    LEU  28           H        LEU  28   0.209  -4.940   1.843
  238    HA   LEU  28           HA       LEU  28   2.793  -4.539   0.542
  239   1HB   LEU  28          1HB       LEU  28   1.181  -2.680   0.620
  240   2HB   LEU  28          2HB       LEU  28   1.229  -2.691   2.379
  241    HG   LEU  28           HG       LEU  28   3.808  -2.223   2.150
  242   1HD1  LEU  28          1HD1      LEU  28   4.439  -1.019   0.083
  243   2HD1  LEU  28          2HD1      LEU  28   4.129  -2.731  -0.187
  244   3HD1  LEU  28          3HD1      LEU  28   2.915  -1.517  -0.659
  245   1HD2  LEU  28          1HD2      LEU  28   1.658  -0.241   1.517
  246   2HD2  LEU  28          2HD2      LEU  28   2.408  -0.635   3.061
  247   3HD2  LEU  28          3HD2      LEU  28   3.354   0.211   1.822
  248    H    GLU  29           H        GLU  29   1.640  -4.442   3.969
  249    HA   GLU  29           HA       GLU  29   4.180  -3.962   5.150
  250   1HB   GLU  29          1HB       GLU  29   1.910  -3.700   6.230
  251   2HB   GLU  29          2HB       GLU  29   1.869  -5.462   6.435
  252   1HG   GLU  29          1HG       GLU  29   4.053  -5.253   7.716
  253   2HG   GLU  29          2HG       GLU  29   3.902  -3.501   7.597
  254    H    GLN  30           H        GLN  30   2.565  -7.076   4.400
  255    HA   GLN  30           HA       GLN  30   4.588  -8.817   5.381
  256   1HB   GLN  30          1HB       GLN  30   2.322  -9.422   4.445
  257   2HB   GLN  30          2HB       GLN  30   2.968  -9.196   2.826
  258   1HG   GLN  30          1HG       GLN  30   4.639 -10.980   3.218
  259   2HG   GLN  30          2HG       GLN  30   4.068 -11.159   4.882
  260   1HE2  GLN  30          1HE2      GLN  30   3.000 -11.482   1.430
  261   2HE2  GLN  30          2HE2      GLN  30   1.786 -12.694   1.813
  262    H    TYR  31           H        TYR  31   4.337  -7.297   2.181
  263    HA   TYR  31           HA       TYR  31   6.701  -8.485   0.994
  264   1HB   TYR  31          1HB       TYR  31   4.788  -7.770  -0.297
  265   2HB   TYR  31          2HB       TYR  31   4.924  -6.127   0.302
  266    HD1  TYR  31           1HD      TYR  31   5.914  -4.523  -1.043
  267    HD2  TYR  31           2HD      TYR  31   6.940  -8.662  -1.634
  268    HE1  TYR  31           1HE      TYR  31   7.274  -3.925  -3.003
  269    HE2  TYR  31           2HE      TYR  31   8.276  -8.028  -3.664
  270    HH   TYR  31           HH       TYR  31   8.724  -4.631  -4.635
  271    H    VAL  32           H        VAL  32   6.089  -5.557   2.792
  272    HA   VAL  32           HA       VAL  32   8.774  -4.519   2.359
  273    HB   VAL  32           HB       VAL  32   6.283  -3.403   3.556
  274   1HG1  VAL  32          1HG1      VAL  32   7.146  -1.286   3.898
  275   2HG1  VAL  32          2HG1      VAL  32   8.054  -2.385   4.919
  276   3HG1  VAL  32          3HG1      VAL  32   8.785  -1.756   3.418
  277   1HG2  VAL  32          1HG2      VAL  32   6.610  -3.670   1.067
  278   2HG2  VAL  32          2HG2      VAL  32   6.175  -2.096   1.650
  279   3HG2  VAL  32          3HG2      VAL  32   7.864  -2.438   1.201
  280    H    LYS  33           H        LYS  33   7.436  -6.605   4.592
  281    HA   LYS  33           HA       LYS  33   9.685  -6.259   6.573
  282   1HB   LYS  33          1HB       LYS  33   7.175  -7.985   6.554
  283   2HB   LYS  33          2HB       LYS  33   8.490  -8.214   7.726
  284   1HG   LYS  33          1HG       LYS  33   8.339  -5.895   8.438
  285   2HG   LYS  33          2HG       LYS  33   7.077  -5.576   7.243
  286   1HD   LYS  33          1HD       LYS  33   5.511  -7.052   8.400
  287   2HD   LYS  33          2HD       LYS  33   6.794  -7.622   9.495
  288   1HE   LYS  33          1HE       LYS  33   7.056  -5.385  10.443
  289   2HE   LYS  33          2HE       LYS  33   5.858  -4.722   9.326
  290   1HZ   LYS  33          1HZ       LYS  33   5.217  -6.843  11.310
  291   2HZ   LYS  33          2HZ       LYS  33   4.980  -5.252  11.589
  292   3HZ   LYS  33          3HZ       LYS  33   4.144  -5.979  10.400
  293    H    ASP  34           H        ASP  34   8.769  -7.926   3.920
  294    HA   ASP  34           HA       ASP  34  10.632 -10.208   3.920
  295   1HB   ASP  34          1HB       ASP  34   8.563  -9.149   2.165
  296   2HB   ASP  34          2HB       ASP  34   9.988  -9.445   1.220
  297    H    THR  35           H        THR  35  10.555  -7.296   1.873
  298    HA   THR  35           HA       THR  35  13.567  -7.123   1.941
  299    HB   THR  35           HB       THR  35  13.556  -6.322  -0.329
  300    HG1  THR  35           1HG      THR  35  10.792  -6.910  -0.453
  301   1HG2  THR  35          1HG2      THR  35  12.927  -8.308  -1.576
  302   2HG2  THR  35          2HG2      THR  35  13.688  -8.779  -0.045
  303   3HG2  THR  35          3HG2      THR  35  11.924  -8.894  -0.236
  304    H    GLY  36           H        GLY  36  10.523  -5.354   2.243
  305   1HA   GLY  36          1HA       GLY  36  10.279  -3.224   3.138
  306   2HA   GLY  36          2HA       GLY  36  11.981  -2.895   2.948
  307    H    ASN  37           H        ASN  37  11.457  -4.040   0.016
  308    HA   ASN  37           HA       ASN  37  11.601  -1.392  -1.117
  309   1HB   ASN  37          1HB       ASN  37  11.261  -4.157  -2.375
  310   2HB   ASN  37          2HB       ASN  37  11.684  -2.708  -3.260
  311   1HD2  ASN  37          2HD2      ASN  37  13.251  -5.175  -3.051
  312   2HD2  ASN  37          1HD2      ASN  37  14.789  -4.651  -2.374
  313    H    ASP  38           H        ASP  38  10.073  -0.138  -2.225
  314    HA   ASP  38           HA       ASP  38   7.317  -0.650  -2.098
  315   1HB   ASP  38          1HB       ASP  38   9.034   1.343  -3.393
  316   2HB   ASP  38          2HB       ASP  38   7.778   0.863  -4.466
  317    HA   PRO  39           HA       PRO  39   6.573  -3.815  -5.088
  318   1HB   PRO  39          1HB       PRO  39   4.141  -2.265  -5.939
  319   2HB   PRO  39          2HB       PRO  39   4.280  -3.996  -5.483
  320   1HG   PRO  39          1HG       PRO  39   3.291  -2.249  -3.706
  321   2HG   PRO  39          2HG       PRO  39   4.544  -3.413  -3.166
  322   1HD   PRO  39          1HD       PRO  39   4.924  -0.518  -3.955
  323   2HD   PRO  39          2HD       PRO  39   5.488  -1.397  -2.501
  324    H    ILE  40           H        ILE  40   6.882  -0.556  -6.327
  325    HA   ILE  40           HA       ILE  40   7.013  -1.556  -9.171
  326    HB   ILE  40           HB       ILE  40   5.892   1.112  -8.282
  327   1HG1  ILE  40          1HG1      ILE  40   4.276  -0.644  -7.699
  328   2HG1  ILE  40          2HG1      ILE  40   3.701   0.397  -8.982
  329   1HG2  ILE  40          1HG2      ILE  40   6.156  -0.118 -11.037
  330   2HG2  ILE  40          2HG2      ILE  40   5.175   1.317 -10.661
  331   3HG2  ILE  40          3HG2      ILE  40   6.920   1.358 -10.428
  332   1HD1  ILE  40          1HD1      ILE  40   4.820  -2.408  -9.398
  333   2HD1  ILE  40          2HD1      ILE  40   3.108  -1.943  -9.412
  334   3HD1  ILE  40          3HD1      ILE  40   4.191  -1.341 -10.673
  335    H    THR  41           H        THR  41   8.090   1.038  -6.906
  336    HA   THR  41           HA       THR  41  10.230   1.820  -8.776
  337    HB   THR  41           HB       THR  41  10.931   3.393  -7.011
  338    HG1  THR  41           1HG      THR  41   8.508   2.538  -5.893
  339   1HG2  THR  41          1HG2      THR  41   9.362   4.121  -8.781
  340   2HG2  THR  41          2HG2      THR  41   7.989   3.566  -7.802
  341   3HG2  THR  41          3HG2      THR  41   9.013   4.895  -7.222
  342    H    ASN  42           H        ASN  42   9.839  -0.487  -6.299
  343    HA   ASN  42           HA       ASN  42  11.036  -1.616  -4.893
  344   1HB   ASN  42          1HB       ASN  42  12.379  -3.095  -5.760
  345   2HB   ASN  42          2HB       ASN  42  11.892  -2.389  -7.288
  346   1HD2  ASN  42          1HD2      ASN  42  13.602  -0.115  -7.446
  347   2HD2  ASN  42          2HD2      ASN  42  15.256  -0.735  -7.493
  348    H    GLU  43           H        GLU  43  11.267   1.302  -4.689
  349    HA   GLU  43           HA       GLU  43  13.848   1.954  -3.595
  350   1HB   GLU  43          1HB       GLU  43  11.077   3.094  -3.272
  351   2HB   GLU  43          2HB       GLU  43  12.509   3.833  -2.538
  352   1HG   GLU  43          1HG       GLU  43  12.703   3.217  -5.478
  353   2HG   GLU  43          2HG       GLU  43  11.531   4.416  -5.008
  354    HA   PRO  44           HA       PRO  44  13.552  -0.534   0.136
  355   1HB   PRO  44          1HB       PRO  44  15.496   1.564   1.129
  356   2HB   PRO  44          2HB       PRO  44  15.538  -0.213   1.369
  357   1HG   PRO  44          1HG       PRO  44  17.072   0.927  -0.537
  358   2HG   PRO  44          2HG       PRO  44  16.154  -0.570  -0.916
  359   1HD   PRO  44          1HD       PRO  44  15.461   2.289  -1.619
  360   2HD   PRO  44          2HD       PRO  44  15.343   0.806  -2.615
  361    H    LEU  45           H        LEU  45  12.101  -0.542   1.611
  362    HA   LEU  45           HA       LEU  45  10.750  -0.185   3.314
  363   1HB   LEU  45          1HB       LEU  45  12.344   2.321   3.821
  364   2HB   LEU  45          2HB       LEU  45  10.968   1.859   4.809
  365    HG   LEU  45           HG       LEU  45  13.222  -0.125   4.316
  366   1HD1  LEU  45          1HD1      LEU  45  13.093   1.941   6.545
  367   2HD1  LEU  45          2HD1      LEU  45  14.269   0.614   6.406
  368   3HD1  LEU  45          3HD1      LEU  45  14.265   1.923   5.210
  369   1HD2  LEU  45          1HD2      LEU  45  11.227   0.236   6.599
  370   2HD2  LEU  45          2HD2      LEU  45  11.146  -1.010   5.330
  371   3HD2  LEU  45          3HD2      LEU  45  12.473  -1.024   6.493
  372    H    SER  46           H        SER  46   8.793   0.533   3.744
  373    HA   SER  46           HA       SER  46   7.466   2.408   1.861
  374   1HB   SER  46          1HB       SER  46   7.416  -0.152   1.279
  375   2HB   SER  46          2HB       SER  46   6.034  -0.094   2.384
  376    HG   SER  46           HG       SER  46   6.423   1.421  -0.001
  377    H    ILE  47           H        ILE  47   6.993   0.315   4.672
  378    HA   ILE  47           HA       ILE  47   4.962   1.697   5.889
  379    HB   ILE  47           HB       ILE  47   5.893  -0.581   6.461
  380   1HG1  ILE  47          1HG1      ILE  47   5.458  -0.502   8.911
  381   2HG1  ILE  47          2HG1      ILE  47   5.364   1.260   8.822
  382   1HG2  ILE  47          1HG2      ILE  47   8.291   0.065   6.658
  383   2HG2  ILE  47          2HG2      ILE  47   7.913   0.923   8.170
  384   3HG2  ILE  47          3HG2      ILE  47   7.695  -0.831   8.057
  385   1HD1  ILE  47          1HD1      ILE  47   3.425   1.100   7.322
  386   2HD1  ILE  47          2HD1      ILE  47   3.614  -0.663   7.215
  387   3HD1  ILE  47          3HD1      ILE  47   3.134   0.094   8.753
  388    H    GLU  48           H        GLU  48   8.278   2.571   5.906
  389    HA   GLU  48           HA       GLU  48   8.099   4.747   7.835
  390   1HB   GLU  48          1HB       GLU  48  10.142   4.086   5.679
  391   2HB   GLU  48          2HB       GLU  48  10.314   5.403   6.836
  392   1HG   GLU  48          1HG       GLU  48  10.137   2.449   7.565
  393   2HG   GLU  48          2HG       GLU  48  11.605   3.412   7.479
  394    H    GLU  49           H        GLU  49   6.753   4.299   4.821
  395    HA   GLU  49           HA       GLU  49   6.539   7.246   4.317
  396   1HB   GLU  49          1HB       GLU  49   8.033   5.608   2.706
  397   2HB   GLU  49          2HB       GLU  49   6.450   5.379   1.976
  398   1HG   GLU  49          1HG       GLU  49   7.408   7.165   0.777
  399   2HG   GLU  49          2HG       GLU  49   6.291   7.960   1.881
  400    H    ILE  50           H        ILE  50   4.910   4.798   5.402
  401    HA   ILE  50           HA       ILE  50   2.768   4.268   3.782
  402    HB   ILE  50           HB       ILE  50   3.631   3.147   5.864
  403   1HG1  ILE  50          1HG1      ILE  50   1.333   2.164   6.451
  404   2HG1  ILE  50          2HG1      ILE  50   0.699   3.228   5.197
  405   1HG2  ILE  50          1HG2      ILE  50   2.617   3.469   7.982
  406   2HG2  ILE  50          2HG2      ILE  50   3.277   5.026   7.462
  407   3HG2  ILE  50          3HG2      ILE  50   1.525   4.722   7.359
  408   1HD1  ILE  50          1HD1      ILE  50   1.302   0.874   4.440
  409   2HD1  ILE  50          2HD1      ILE  50   2.171   2.134   3.528
  410   3HD1  ILE  50          3HD1      ILE  50   2.987   1.210   4.810
  411    H    VAL  51           H        VAL  51   1.107   5.174   3.072
  412    HA   VAL  51           HA       VAL  51  -0.397   7.292   4.602
  413    HB   VAL  51           HB       VAL  51  -0.238   7.075   1.575
  414   1HG1  VAL  51          1HG1      VAL  51  -1.534   9.149   3.405
  415   2HG1  VAL  51          2HG1      VAL  51  -1.394   9.276   1.640
  416   3HG1  VAL  51          3HG1      VAL  51  -2.395   8.008   2.347
  417   1HG2  VAL  51          1HG2      VAL  51   0.976   9.234   1.701
  418   2HG2  VAL  51          2HG2      VAL  51   1.028   9.097   3.473
  419   3HG2  VAL  51          3HG2      VAL  51   1.886   7.927   2.454
  420    H    GLU  52           H        GLU  52  -1.650   5.731   5.693
  421    HA   GLU  52           HA       GLU  52  -3.251   3.810   4.142
  422   1HB   GLU  52          1HB       GLU  52  -2.217   3.308   6.371
  423   2HB   GLU  52          2HB       GLU  52  -3.459   4.332   7.116
  424   1HG   GLU  52          1HG       GLU  52  -5.233   2.913   6.160
  425   2HG   GLU  52          2HG       GLU  52  -4.045   1.974   5.256
  426    H    ILE  53           H        ILE  53  -5.086   4.099   3.259
  427    HA   ILE  53           HA       ILE  53  -6.479   6.682   3.424
  428    HB   ILE  53           HB       ILE  53  -6.869   4.226   1.661
  429   1HG1  ILE  53          1HG1      ILE  53  -5.591   6.907   0.949
  430   2HG1  ILE  53          2HG1      ILE  53  -4.668   5.468   1.365
  431   1HG2  ILE  53          1HG2      ILE  53  -8.964   5.544   1.853
  432   2HG2  ILE  53          2HG2      ILE  53  -8.079   7.023   1.414
  433   3HG2  ILE  53          3HG2      ILE  53  -8.283   5.700   0.249
  434   1HD1  ILE  53          1HD1      ILE  53  -4.697   5.655  -1.010
  435   2HD1  ILE  53          2HD1      ILE  53  -5.669   4.242  -0.548
  436   3HD1  ILE  53          3HD1      ILE  53  -6.462   5.753  -1.062
  437    H    VAL  54           H        VAL  54  -8.279   6.993   4.592
  438    HA   VAL  54           HA       VAL  54  -9.426   5.075   6.360
  439    HB   VAL  54           HB       VAL  54 -10.564   7.711   5.370
  440   1HG1  VAL  54          1HG1      VAL  54 -11.398   5.953   7.726
  441   2HG1  VAL  54          2HG1      VAL  54 -11.937   7.625   7.459
  442   3HG1  VAL  54          3HG1      VAL  54 -12.388   6.375   6.305
  443   1HG2  VAL  54          1HG2      VAL  54  -9.024   6.968   7.902
  444   2HG2  VAL  54          2HG2      VAL  54  -8.419   7.972   6.567
  445   3HG2  VAL  54          3HG2      VAL  54  -9.756   8.552   7.561
  446    HA   PRO  55           HA       PRO  55 -11.794   3.046   3.084
  447   1HB   PRO  55          1HB       PRO  55 -12.699   0.855   4.411
  448   2HB   PRO  55          2HB       PRO  55 -10.973   1.079   4.000
  449   1HG   PRO  55          1HG       PRO  55 -12.354   1.704   6.635
  450   2HG   PRO  55          2HG       PRO  55 -10.854   0.757   6.374
  451   1HD   PRO  55          1HD       PRO  55 -10.805   3.408   7.035
  452   2HD   PRO  55          2HD       PRO  55  -9.593   2.690   5.931
  453    H    SER  56           H        SER  56 -13.190   4.193   6.073
  454    HA   SER  56           HA       SER  56 -15.900   3.556   5.803
  455   1HB   SER  56          1HB       SER  56 -14.713   6.076   7.029
  456   2HB   SER  56          2HB       SER  56 -16.312   5.388   7.361
  457    HG   SER  56           HG       SER  56 -14.771   4.768   8.946
  Start of MODEL   14
    1    H    MET   1           H        MET   1  -5.898   2.301  -8.196
    2    HA   MET   1           HA       MET   1  -7.397   1.528  -6.279
    3   1HB   MET   1          1HB       MET   1  -8.256   2.268  -8.510
    4   2HB   MET   1          2HB       MET   1  -8.211   0.594  -9.065
    5   1HG   MET   1          1HG       MET   1  -9.842  -0.029  -7.316
    6   2HG   MET   1          2HG       MET   1  -9.852   1.629  -6.711
    7   1HE   MET   1          1HE       MET   1 -11.810   3.588  -9.447
    8   2HE   MET   1          2HE       MET   1 -11.049   3.636  -7.844
    9   3HE   MET   1          3HE       MET   1 -10.048   3.491  -9.310
   10    H    LEU   2           H        LEU   2  -5.747  -0.899  -8.081
   11    HA   LEU   2           HA       LEU   2  -6.532  -2.998  -6.103
   12   1HB   LEU   2          1HB       LEU   2  -5.959  -3.418  -9.064
   13   2HB   LEU   2          2HB       LEU   2  -6.117  -4.713  -7.882
   14    HG   LEU   2           HG       LEU   2  -8.346  -2.768  -8.637
   15   1HD1  LEU   2          1HD1      LEU   2  -7.756  -4.327 -10.454
   16   2HD1  LEU   2          2HD1      LEU   2  -7.924  -5.701  -9.340
   17   3HD1  LEU   2          3HD1      LEU   2  -9.342  -4.715  -9.764
   18   1HD2  LEU   2          1HD2      LEU   2  -9.809  -4.370  -7.425
   19   2HD2  LEU   2          2HD2      LEU   2  -8.378  -5.272  -6.884
   20   3HD2  LEU   2          3HD2      LEU   2  -8.654  -3.601  -6.337
   21    H    CYS   3           H        CYS   3  -4.974  -4.433  -5.418
   22    HA   CYS   3           HA       CYS   3  -2.710  -2.934  -4.758
   23   1HB   CYS   3          1HB       CYS   3  -3.878  -4.432  -3.241
   24   2HB   CYS   3          2HB       CYS   3  -3.636  -5.762  -4.329
   25    HG   CYS   3           HG       CYS   3  -2.297  -6.202  -2.199
   26    H    ALA   4           H        ALA   4  -0.729  -3.050  -5.076
   27    HA   ALA   4           HA       ALA   4   0.253  -4.081  -7.700
   28   1HB   ALA   4          1HB       ALA   4   0.750  -1.733  -7.058
   29   2HB   ALA   4          2HB       ALA   4   1.804  -2.365  -5.767
   30   3HB   ALA   4          3HB       ALA   4   2.175  -2.719  -7.450
   31    H    ILE   5           H        ILE   5   0.297  -5.037  -4.394
   32    HA   ILE   5           HA       ILE   5   2.704  -6.724  -4.633
   33    HB   ILE   5           HB       ILE   5   0.638  -6.435  -2.428
   34   1HG1  ILE   5          1HG1      ILE   5   2.899  -5.908  -1.195
   35   2HG1  ILE   5          2HG1      ILE   5   3.517  -5.575  -2.805
   36   1HG2  ILE   5          1HG2      ILE   5   2.152  -8.042  -1.167
   37   2HG2  ILE   5          2HG2      ILE   5   1.330  -8.813  -2.517
   38   3HG2  ILE   5          3HG2      ILE   5   3.038  -8.336  -2.670
   39   1HD1  ILE   5          1HD1      ILE   5   1.133  -4.256  -1.420
   40   2HD1  ILE   5          2HD1      ILE   5   2.732  -3.538  -1.677
   41   3HD1  ILE   5          3HD1      ILE   5   1.680  -3.846  -3.057
   42    H    SER   6           H        SER   6  -0.857  -7.441  -4.347
   43    HA   SER   6           HA       SER   6  -0.332  -9.802  -6.121
   44   1HB   SER   6          1HB       SER   6  -2.066  -9.996  -3.678
   45   2HB   SER   6          2HB       SER   6  -1.725 -11.265  -4.850
   46    HG   SER   6           HG       SER   6  -0.376 -11.520  -3.066
   47    H    GLY   7           H        GLY   7  -2.327  -7.026  -5.784
   48   1HA   GLY   7          1HA       GLY   7  -3.914  -6.406  -7.411
   49   2HA   GLY   7          2HA       GLY   7  -3.999  -8.074  -7.911
   50    H    LYS   8           H        LYS   8  -4.200  -7.937  -4.689
   51    HA   LYS   8           HA       LYS   8  -6.854  -8.810  -4.248
   52   1HB   LYS   8          1HB       LYS   8  -4.780  -9.094  -2.816
   53   2HB   LYS   8          2HB       LYS   8  -4.870  -7.391  -2.399
   54   1HG   LYS   8          1HG       LYS   8  -5.780  -8.635  -0.567
   55   2HG   LYS   8          2HG       LYS   8  -7.178  -7.899  -1.368
   56   1HD   LYS   8          1HD       LYS   8  -7.575 -10.070  -2.571
   57   2HD   LYS   8          2HD       LYS   8  -6.162 -10.763  -1.757
   58   1HE   LYS   8          1HE       LYS   8  -7.263 -10.395   0.443
   59   2HE   LYS   8          2HE       LYS   8  -8.656  -9.665  -0.370
   60   1HZ   LYS   8          1HZ       LYS   8  -9.063 -12.008   0.133
   61   2HZ   LYS   8          2HZ       LYS   8  -9.037 -11.808  -1.485
   62   3HZ   LYS   8          3HZ       LYS   8  -7.759 -12.482  -0.726
   63    H    VAL   9           H        VAL   9  -8.719  -7.787  -3.796
   64    HA   VAL   9           HA       VAL   9  -9.138  -4.927  -4.180
   65    HB   VAL   9           HB       VAL   9 -11.001  -7.008  -2.971
   66   1HG1  VAL   9          1HG1      VAL   9 -12.765  -5.361  -3.556
   67   2HG1  VAL   9          2HG1      VAL   9 -11.656  -4.711  -2.347
   68   3HG1  VAL   9          3HG1      VAL   9 -11.519  -4.192  -4.047
   69   1HG2  VAL   9          1HG2      VAL   9 -12.096  -6.989  -5.186
   70   2HG2  VAL   9          2HG2      VAL   9 -10.844  -5.895  -5.810
   71   3HG2  VAL   9          3HG2      VAL   9 -10.428  -7.551  -5.323
   72    HA   PRO  10           HA       PRO  10  -7.197  -4.368  -0.189
   73   1HB   PRO  10          1HB       PRO  10  -8.225  -1.545  -0.462
   74   2HB   PRO  10          2HB       PRO  10  -6.604  -2.119   0.040
   75   1HG   PRO  10          1HG       PRO  10  -6.999  -1.214  -2.476
   76   2HG   PRO  10          2HG       PRO  10  -6.052  -2.717  -2.218
   77   1HD   PRO  10          1HD       PRO  10  -8.977  -2.447  -2.974
   78   2HD   PRO  10          2HD       PRO  10  -7.720  -3.485  -3.698
   79    H    ARG  11           H        ARG  11  -7.816  -4.798   1.800
   80    HA   ARG  11           HA       ARG  11 -10.618  -4.499   2.763
   81   1HB   ARG  11          1HB       ARG  11  -8.177  -5.388   4.347
   82   2HB   ARG  11          2HB       ARG  11  -9.869  -5.598   4.765
   83   1HG   ARG  11          1HG       ARG  11 -10.132  -7.224   2.891
   84   2HG   ARG  11          2HG       ARG  11  -8.412  -7.011   2.483
   85   1HD   ARG  11          1HD       ARG  11  -7.859  -7.662   4.883
   86   2HD   ARG  11          2HD       ARG  11  -9.556  -8.066   5.102
   87    HE   ARG  11           HE       ARG  11  -9.297  -9.990   3.792
   88   1HH1  ARG  11          2HH2      ARG  11  -6.285  -8.163   3.565
   89   2HH1  ARG  11          1HH2      ARG  11  -5.408  -9.586   3.045
   90   1HH2  ARG  11          2HH1      ARG  11  -8.095 -11.706   3.157
   91   2HH2  ARG  11          1HH1      ARG  11  -6.400 -11.516   2.810
   92    H    ARG  12           H        ARG  12  -7.320  -3.381   3.497
   93    HA   ARG  12           HA       ARG  12  -8.367  -0.777   4.529
   94   1HB   ARG  12          1HB       ARG  12  -7.535  -2.137   6.344
   95   2HB   ARG  12          2HB       ARG  12  -6.066  -2.514   5.454
   96   1HG   ARG  12          1HG       ARG  12  -5.598  -0.904   7.137
   97   2HG   ARG  12          2HG       ARG  12  -5.381  -0.161   5.546
   98   1HD   ARG  12          1HD       ARG  12  -7.444   1.091   5.778
   99   2HD   ARG  12          2HD       ARG  12  -7.877   0.185   7.248
  100    HE   ARG  12           HE       ARG  12  -5.336   1.467   7.666
  101   1HH1  ARG  12          2HH2      ARG  12  -8.697   2.424   7.474
  102   2HH1  ARG  12          1HH2      ARG  12  -8.434   3.765   8.563
  103   1HH2  ARG  12          2HH1      ARG  12  -5.085   3.025   8.961
  104   2HH2  ARG  12          1HH1      ARG  12  -6.382   4.140   9.400
  105    HA   PRO  13           HA       PRO  13  -6.089  -0.068   0.586
  106   1HB   PRO  13          1HB       PRO  13  -7.177   2.474   0.131
  107   2HB   PRO  13          2HB       PRO  13  -7.815   0.920  -0.470
  108   1HG   PRO  13          1HG       PRO  13  -8.634   2.417   2.037
  109   2HG   PRO  13          2HG       PRO  13  -9.689   1.661   0.796
  110   1HD   PRO  13          1HD       PRO  13  -9.238   0.316   3.033
  111   2HD   PRO  13          2HD       PRO  13  -8.983  -0.536   1.461
  112    H    VAL  14           H        VAL  14  -4.256   0.608   0.468
  113    HA   VAL  14           HA       VAL  14  -3.079   2.771   2.194
  114    HB   VAL  14           HB       VAL  14  -2.604  -0.188   2.202
  115   1HG1  VAL  14          1HG1      VAL  14  -0.356  -0.076   3.006
  116   2HG1  VAL  14          2HG1      VAL  14  -0.415   0.562   1.372
  117   3HG1  VAL  14          3HG1      VAL  14  -0.287   1.694   2.720
  118   1HG2  VAL  14          1HG2      VAL  14  -2.145   2.027   4.230
  119   2HG2  VAL  14          2HG2      VAL  14  -3.627   1.045   4.115
  120   3HG2  VAL  14          3HG2      VAL  14  -2.075   0.313   4.569
  121    H    LEU  15           H        LEU  15  -1.375   3.831   1.452
  122    HA   LEU  15           HA       LEU  15  -0.602   3.487  -1.422
  123   1HB   LEU  15          1HB       LEU  15  -2.314   5.151  -1.243
  124   2HB   LEU  15          2HB       LEU  15  -1.634   5.824   0.214
  125    HG   LEU  15           HG       LEU  15   0.266   6.783  -1.075
  126   1HD1  LEU  15          1HD1      LEU  15   0.062   7.019  -3.501
  127   2HD1  LEU  15          2HD1      LEU  15   0.211   5.303  -3.088
  128   3HD1  LEU  15          3HD1      LEU  15  -1.371   5.973  -3.517
  129   1HD2  LEU  15          1HD2      LEU  15  -1.059   8.587  -2.066
  130   2HD2  LEU  15          2HD2      LEU  15  -2.519   7.568  -2.014
  131   3HD2  LEU  15          3HD2      LEU  15  -1.737   8.089  -0.507
  132    H    SER  16           H        SER  16   1.431   4.335  -1.976
  133    HA   SER  16           HA       SER  16   3.274   5.387   0.084
  134   1HB   SER  16          1HB       SER  16   3.931   3.024  -0.211
  135   2HB   SER  16          2HB       SER  16   3.977   3.260  -1.973
  136    HG   SER  16           HG       SER  16   6.015   3.441  -1.222
  137    HA   PRO  17           HA       PRO  17   3.316   8.385  -3.215
  138   1HB   PRO  17          1HB       PRO  17   5.442   9.980  -2.523
  139   2HB   PRO  17          2HB       PRO  17   3.907   9.926  -1.607
  140   1HG   PRO  17          1HG       PRO  17   6.471   8.405  -1.023
  141   2HG   PRO  17          2HG       PRO  17   5.493   9.402   0.103
  142   1HD   PRO  17          1HD       PRO  17   5.209   6.705  -0.009
  143   2HD   PRO  17          2HD       PRO  17   3.782   7.766   0.208
  144    H    LYS  18           H        LYS  18   5.733   6.049  -2.937
  145    HA   LYS  18           HA       LYS  18   7.430   6.884  -5.213
  146   1HB   LYS  18          1HB       LYS  18   7.381   4.542  -3.312
  147   2HB   LYS  18          2HB       LYS  18   8.433   4.549  -4.730
  148   1HG   LYS  18          1HG       LYS  18   9.804   6.208  -3.937
  149   2HG   LYS  18          2HG       LYS  18   8.566   6.970  -2.936
  150   1HD   LYS  18          1HD       LYS  18   9.609   4.204  -2.280
  151   2HD   LYS  18          2HD       LYS  18  10.461   5.658  -1.725
  152   1HE   LYS  18          1HE       LYS  18   8.784   6.279  -0.269
  153   2HE   LYS  18          2HE       LYS  18   7.505   5.580  -1.271
  154   1HZ   LYS  18          1HZ       LYS  18   7.787   4.297   0.717
  155   2HZ   LYS  18          2HZ       LYS  18   8.151   3.392  -0.580
  156   3HZ   LYS  18          3HZ       LYS  18   9.366   3.945   0.374
  157    H    SER  19           H        SER  19   5.510   3.851  -4.647
  158    HA   SER  19           HA       SER  19   5.197   3.298  -7.445
  159   1HB   SER  19          1HB       SER  19   3.562   2.375  -5.052
  160   2HB   SER  19          2HB       SER  19   3.521   1.673  -6.678
  161    HG   SER  19           HG       SER  19   5.603   1.718  -4.771
  162    H    ARG  20           H        ARG  20   3.298   5.152  -5.127
  163    HA   ARG  20           HA       ARG  20   1.497   6.459  -5.173
  164   1HB   ARG  20          1HB       ARG  20   2.827   7.536  -6.969
  165   2HB   ARG  20          2HB       ARG  20   1.877   6.694  -8.182
  166   1HG   ARG  20          1HG       ARG  20   0.330   8.256  -6.131
  167   2HG   ARG  20          2HG       ARG  20   1.362   9.198  -7.203
  168   1HD   ARG  20          1HD       ARG  20   0.279   8.401  -9.178
  169   2HD   ARG  20          2HD       ARG  20  -0.628   7.181  -8.305
  170    HE   ARG  20           HE       ARG  20  -1.251  10.029  -8.528
  171   1HH1  ARG  20          2HH2      ARG  20  -1.905   7.201  -6.547
  172   2HH1  ARG  20          1HH2      ARG  20  -3.403   7.884  -5.953
  173   1HH2  ARG  20          2HH1      ARG  20  -3.144  10.808  -7.735
  174   2HH2  ARG  20          1HH1      ARG  20  -4.076   9.867  -6.607
  175    H    THR  21           H        THR  21   1.306   3.425  -6.364
  176    HA   THR  21           HA       THR  21  -1.441   3.205  -7.202
  177    HB   THR  21           HB       THR  21  -0.934   0.794  -6.981
  178    HG1  THR  21           1HG      THR  21   0.451   0.934  -5.143
  179   1HG2  THR  21          1HG2      THR  21   0.731   0.608  -8.647
  180   2HG2  THR  21          2HG2      THR  21  -0.027   2.178  -8.968
  181   3HG2  THR  21          3HG2      THR  21   1.550   2.096  -8.132
  182    H    ILE  22           H        ILE  22  -2.944   1.620  -5.954
  183    HA   ILE  22           HA       ILE  22  -2.800   2.099  -3.000
  184    HB   ILE  22           HB       ILE  22  -5.278   1.595  -4.621
  185   1HG1  ILE  22          1HG1      ILE  22  -4.544   3.804  -5.268
  186   2HG1  ILE  22          2HG1      ILE  22  -5.978   3.899  -4.269
  187   1HG2  ILE  22          1HG2      ILE  22  -6.447   2.279  -2.521
  188   2HG2  ILE  22          2HG2      ILE  22  -5.478   0.812  -2.328
  189   3HG2  ILE  22          3HG2      ILE  22  -4.871   2.355  -1.702
  190   1HD1  ILE  22          1HD1      ILE  22  -3.141   4.437  -3.297
  191   2HD1  ILE  22          2HD1      ILE  22  -4.351   5.664  -3.709
  192   3HD1  ILE  22          3HD1      ILE  22  -4.619   4.598  -2.324
  193    H    PHE  23           H        PHE  23  -2.235   0.362  -1.991
  194    HA   PHE  23           HA       PHE  23  -3.070  -2.340  -2.946
  195   1HB   PHE  23          1HB       PHE  23  -0.947  -2.978  -1.422
  196   2HB   PHE  23          2HB       PHE  23  -0.954  -2.826  -3.175
  197    HD1  PHE  23           1HD      PHE  23   0.684  -1.598  -4.170
  198    HD2  PHE  23           2HD      PHE  23  -0.295  -0.914  -0.131
  199    HE1  PHE  23           1HE      PHE  23   2.425   0.162  -4.136
  200    HE2  PHE  23           2HE      PHE  23   1.359   1.065  -0.063
  201    HZ   PHE  23           HZ       PHE  23   2.733   1.528  -2.069
  202    H    GLU  24           H        GLU  24  -3.006  -3.944  -1.197
  203    HA   GLU  24           HA       GLU  24  -4.796  -3.142   0.961
  204   1HB   GLU  24          1HB       GLU  24  -5.282  -5.201  -0.083
  205   2HB   GLU  24          2HB       GLU  24  -3.607  -5.636  -0.162
  206   1HG   GLU  24          1HG       GLU  24  -4.751  -7.076   1.383
  207   2HG   GLU  24          2HG       GLU  24  -3.538  -6.132   2.223
  208    H    LYS  25           H        LYS  25  -4.063  -2.662   3.081
  209    HA   LYS  25           HA       LYS  25  -1.445  -2.031   3.775
  210   1HB   LYS  25          1HB       LYS  25  -3.509  -1.372   4.999
  211   2HB   LYS  25          2HB       LYS  25  -3.687  -3.018   5.598
  212   1HG   LYS  25          1HG       LYS  25  -1.567  -2.867   6.822
  213   2HG   LYS  25          2HG       LYS  25  -1.221  -1.281   6.104
  214   1HD   LYS  25          1HD       LYS  25  -3.209  -0.337   7.226
  215   2HD   LYS  25          2HD       LYS  25  -3.566  -1.927   7.944
  216   1HE   LYS  25          1HE       LYS  25  -1.394  -1.877   9.138
  217   2HE   LYS  25          2HE       LYS  25  -1.015  -0.318   8.389
  218   1HZ   LYS  25          1HZ       LYS  25  -1.918   0.031  10.594
  219   2HZ   LYS  25          2HZ       LYS  25  -2.972   0.625   9.498
  220   3HZ   LYS  25          3HZ       LYS  25  -3.281  -0.806  10.251
  221    H    SER  26           H        SER  26  -3.254  -5.003   4.309
  222    HA   SER  26           HA       SER  26  -1.297  -6.339   5.776
  223   1HB   SER  26          1HB       SER  26  -3.687  -6.994   5.663
  224   2HB   SER  26          2HB       SER  26  -3.419  -7.648   4.036
  225    HG   SER  26           HG       SER  26  -3.288  -9.232   5.744
  226    H    LEU  27           H        LEU  27  -1.769  -6.335   2.195
  227    HA   LEU  27           HA       LEU  27   0.254  -8.327   1.691
  228   1HB   LEU  27          1HB       LEU  27  -1.085  -6.296  -0.136
  229   2HB   LEU  27          2HB       LEU  27  -0.089  -7.644  -0.620
  230    HG   LEU  27           HG       LEU  27  -2.926  -7.552  -0.121
  231   1HD1  LEU  27          1HD1      LEU  27  -2.897  -9.577  -1.446
  232   2HD1  LEU  27          2HD1      LEU  27  -1.822  -8.339  -2.131
  233   3HD1  LEU  27          3HD1      LEU  27  -1.134  -9.705  -1.219
  234   1HD2  LEU  27          1HD2      LEU  27  -1.556  -9.806   1.337
  235   2HD2  LEU  27          2HD2      LEU  27  -2.724  -8.619   1.998
  236   3HD2  LEU  27          3HD2      LEU  27  -3.258  -9.800   0.820
  237    H    LEU  28           H        LEU  28   0.178  -4.748   1.678
  238    HA   LEU  28           HA       LEU  28   2.871  -4.397   0.686
  239   1HB   LEU  28          1HB       LEU  28   1.297  -2.492   0.828
  240   2HB   LEU  28          2HB       LEU  28   1.364  -2.581   2.588
  241    HG   LEU  28           HG       LEU  28   3.944  -2.261   2.361
  242   1HD1  LEU  28          1HD1      LEU  28   3.129  -1.436  -0.448
  243   2HD1  LEU  28          2HD1      LEU  28   4.688  -1.088   0.320
  244   3HD1  LEU  28          3HD1      LEU  28   4.231  -2.757  -0.004
  245   1HD2  LEU  28          1HD2      LEU  28   2.017  -0.071   1.626
  246   2HD2  LEU  28          2HD2      LEU  28   2.563  -0.555   3.234
  247   3HD2  LEU  28          3HD2      LEU  28   3.710   0.187   2.104
  248    H    GLU  29           H        GLU  29   1.444  -4.744   3.977
  249    HA   GLU  29           HA       GLU  29   3.789  -4.483   5.521
  250   1HB   GLU  29          1HB       GLU  29   1.526  -4.481   6.436
  251   2HB   GLU  29          2HB       GLU  29   1.382  -6.215   6.128
  252   1HG   GLU  29          1HG       GLU  29   3.233  -6.669   7.692
  253   2HG   GLU  29          2HG       GLU  29   3.509  -4.940   7.902
  254    H    GLN  30           H        GLN  30   2.515  -7.343   3.858
  255    HA   GLN  30           HA       GLN  30   4.496  -9.213   4.806
  256   1HB   GLN  30          1HB       GLN  30   2.253  -9.655   3.571
  257   2HB   GLN  30          2HB       GLN  30   3.135  -9.335   2.088
  258   1HG   GLN  30          1HG       GLN  30   3.110 -11.712   2.430
  259   2HG   GLN  30          2HG       GLN  30   4.759 -11.155   2.690
  260   1HE2  GLN  30          1HE2      GLN  30   1.752 -12.175   4.419
  261   2HE2  GLN  30          2HE2      GLN  30   2.620 -12.673   5.868
  262    H    TYR  31           H        TYR  31   4.370  -7.132   1.902
  263    HA   TYR  31           HA       TYR  31   6.832  -8.163   0.763
  264   1HB   TYR  31          1HB       TYR  31   4.937  -7.160  -0.513
  265   2HB   TYR  31          2HB       TYR  31   5.333  -5.587   0.166
  266    HD1  TYR  31           1HD      TYR  31   7.150  -8.425  -1.495
  267    HD2  TYR  31           2HD      TYR  31   6.555  -4.180  -1.263
  268    HE1  TYR  31           1HE      TYR  31   8.659  -8.089  -3.492
  269    HE2  TYR  31           2HE      TYR  31   8.222  -3.870  -3.103
  270    HH   TYR  31           HH       TYR  31   9.746  -6.584  -4.812
  271    H    VAL  32           H        VAL  32   6.015  -5.427   2.785
  272    HA   VAL  32           HA       VAL  32   8.635  -4.311   2.603
  273    HB   VAL  32           HB       VAL  32   6.364  -3.133   2.887
  274   1HG1  VAL  32          1HG1      VAL  32   5.522  -2.632   5.066
  275   2HG1  VAL  32          2HG1      VAL  32   5.815  -4.376   5.026
  276   3HG1  VAL  32          3HG1      VAL  32   6.948  -3.320   5.875
  277   1HG2  VAL  32          1HG2      VAL  32   8.327  -1.760   2.869
  278   2HG2  VAL  32          2HG2      VAL  32   7.241  -1.192   4.136
  279   3HG2  VAL  32          3HG2      VAL  32   8.679  -2.116   4.587
  280    H    LYS  33           H        LYS  33   7.281  -6.617   4.676
  281    HA   LYS  33           HA       LYS  33   9.608  -6.503   6.571
  282   1HB   LYS  33          1HB       LYS  33   8.569  -7.986   7.998
  283   2HB   LYS  33          2HB       LYS  33   7.290  -6.898   7.468
  284   1HG   LYS  33          1HG       LYS  33   6.598  -8.671   5.803
  285   2HG   LYS  33          2HG       LYS  33   7.768  -9.767   6.517
  286   1HD   LYS  33          1HD       LYS  33   5.434  -8.436   7.971
  287   2HD   LYS  33          2HD       LYS  33   5.410 -10.074   7.333
  288   1HE   LYS  33          1HE       LYS  33   7.333  -9.094   9.486
  289   2HE   LYS  33          2HE       LYS  33   5.816  -9.933   9.801
  290   1HZ   LYS  33          1HZ       LYS  33   8.107 -11.085   8.301
  291   2HZ   LYS  33          2HZ       LYS  33   7.659 -11.487   9.815
  292   3HZ   LYS  33          3HZ       LYS  33   6.683 -11.846   8.557
  293    H    ASP  34           H        ASP  34   8.716  -7.978   3.674
  294    HA   ASP  34           HA       ASP  34  10.593 -10.224   3.708
  295   1HB   ASP  34          1HB       ASP  34   8.618  -9.081   1.884
  296   2HB   ASP  34          2HB       ASP  34  10.103  -9.301   1.025
  297    H    THR  35           H        THR  35  10.560  -7.074   2.046
  298    HA   THR  35           HA       THR  35  13.577  -6.968   2.069
  299    HB   THR  35           HB       THR  35  13.520  -6.013  -0.191
  300    HG1  THR  35           1HG      THR  35  10.812  -6.831  -0.292
  301   1HG2  THR  35          1HG2      THR  35  13.873  -8.448  -0.011
  302   2HG2  THR  35          2HG2      THR  35  12.119  -8.718  -0.158
  303   3HG2  THR  35          3HG2      THR  35  13.021  -7.997  -1.502
  304    H    GLY  36           H        GLY  36  10.536  -5.302   2.365
  305   1HA   GLY  36          1HA       GLY  36  10.170  -3.209   3.301
  306   2HA   GLY  36          2HA       GLY  36  11.864  -2.784   3.148
  307    H    ASN  37           H        ASN  37  11.251  -4.014   0.163
  308    HA   ASN  37           HA       ASN  37  11.476  -1.432  -1.063
  309   1HB   ASN  37          1HB       ASN  37  10.833  -4.220  -2.116
  310   2HB   ASN  37          2HB       ASN  37  11.167  -2.851  -3.141
  311   1HD2  ASN  37          2HD2      ASN  37  12.703  -5.106  -3.395
  312   2HD2  ASN  37          1HD2      ASN  37  14.322  -4.722  -2.819
  313    H    ASP  38           H        ASP  38  10.067  -0.230  -2.326
  314    HA   ASP  38           HA       ASP  38   7.181  -0.560  -2.109
  315   1HB   ASP  38          1HB       ASP  38   9.013   1.326  -3.492
  316   2HB   ASP  38          2HB       ASP  38   7.667   0.877  -4.483
  317    HA   PRO  39           HA       PRO  39   6.852  -3.953  -4.907
  318   1HB   PRO  39          1HB       PRO  39   4.279  -3.783  -5.857
  319   2HB   PRO  39          2HB       PRO  39   4.713  -4.214  -4.176
  320   1HG   PRO  39          1HG       PRO  39   3.960  -1.479  -5.261
  321   2HG   PRO  39          2HG       PRO  39   3.274  -2.331  -3.837
  322   1HD   PRO  39          1HD       PRO  39   5.195  -0.476  -3.528
  323   2HD   PRO  39          2HD       PRO  39   5.248  -1.988  -2.569
  324    H    ILE  40           H        ILE  40   6.917  -0.832  -6.295
  325    HA   ILE  40           HA       ILE  40   7.060  -1.968  -9.083
  326    HB   ILE  40           HB       ILE  40   5.588   0.478  -8.102
  327   1HG1  ILE  40          1HG1      ILE  40   4.634  -1.577 -10.133
  328   2HG1  ILE  40          2HG1      ILE  40   4.584  -1.971  -8.418
  329   1HG2  ILE  40          1HG2      ILE  40   6.424  -0.095 -10.976
  330   2HG2  ILE  40          2HG2      ILE  40   5.209   1.107 -10.497
  331   3HG2  ILE  40          3HG2      ILE  40   6.877   1.318  -9.997
  332   1HD1  ILE  40          1HD1      ILE  40   2.447  -1.062  -9.211
  333   2HD1  ILE  40          2HD1      ILE  40   3.181  -0.114  -7.901
  334   3HD1  ILE  40          3HD1      ILE  40   3.236   0.482  -9.579
  335    H    THR  41           H        THR  41   8.119   0.745  -6.966
  336    HA   THR  41           HA       THR  41  10.245   1.445  -8.886
  337    HB   THR  41           HB       THR  41  10.937   3.128  -7.228
  338    HG1  THR  41           1HG      THR  41   8.579   2.253  -6.001
  339   1HG2  THR  41          1HG2      THR  41   9.288   3.750  -8.968
  340   2HG2  THR  41          2HG2      THR  41   7.961   3.213  -7.913
  341   3HG2  THR  41          3HG2      THR  41   8.984   4.584  -7.432
  342    H    ASN  42           H        ASN  42   9.886  -0.817  -6.354
  343    HA   ASN  42           HA       ASN  42  11.045  -1.767  -4.837
  344   1HB   ASN  42          1HB       ASN  42  12.752  -3.129  -5.522
  345   2HB   ASN  42          2HB       ASN  42  11.673  -2.957  -6.883
  346   1HD2  ASN  42          2HD2      ASN  42  14.707  -1.487  -5.604
  347   2HD2  ASN  42          1HD2      ASN  42  15.463  -1.357  -7.199
  348    H    GLU  43           H        GLU  43  11.275   1.128  -4.739
  349    HA   GLU  43           HA       GLU  43  13.834   1.870  -3.664
  350   1HB   GLU  43          1HB       GLU  43  11.016   2.903  -3.363
  351   2HB   GLU  43          2HB       GLU  43  12.394   3.709  -2.610
  352   1HG   GLU  43          1HG       GLU  43  12.640   3.076  -5.548
  353   2HG   GLU  43          2HG       GLU  43  11.436   4.247  -5.089
  354    HA   PRO  44           HA       PRO  44  13.470  -0.691   0.051
  355   1HB   PRO  44          1HB       PRO  44  15.687   1.137   0.979
  356   2HB   PRO  44          2HB       PRO  44  15.551  -0.644   1.127
  357   1HG   PRO  44          1HG       PRO  44  17.107   0.440  -0.804
  358   2HG   PRO  44          2HG       PRO  44  16.038  -0.946  -1.194
  359   1HD   PRO  44          1HD       PRO  44  15.562   2.001  -1.709
  360   2HD   PRO  44          2HD       PRO  44  15.313   0.604  -2.797
  361    H    LEU  45           H        LEU  45  12.073  -0.490   1.582
  362    HA   LEU  45           HA       LEU  45  10.973   0.034   3.438
  363   1HB   LEU  45          1HB       LEU  45  12.659   2.538   3.647
  364   2HB   LEU  45          2HB       LEU  45  11.276   2.209   4.666
  365    HG   LEU  45           HG       LEU  45  12.334   0.039   5.368
  366   1HD1  LEU  45          1HD1      LEU  45  14.776   1.206   3.965
  367   2HD1  LEU  45          2HD1      LEU  45  14.841  -0.086   5.183
  368   3HD1  LEU  45          3HD1      LEU  45  14.010  -0.373   3.659
  369   1HD2  LEU  45          1HD2      LEU  45  12.384   2.066   6.760
  370   2HD2  LEU  45          2HD2      LEU  45  13.867   1.125   6.954
  371   3HD2  LEU  45          3HD2      LEU  45  13.876   2.596   5.953
  372    H    SER  46           H        SER  46   9.011   0.786   3.826
  373    HA   SER  46           HA       SER  46   7.682   2.552   1.860
  374   1HB   SER  46          1HB       SER  46   7.713  -0.031   1.278
  375   2HB   SER  46          2HB       SER  46   6.354  -0.056   2.397
  376    HG   SER  46           HG       SER  46   6.618   1.450  -0.015
  377    H    ILE  47           H        ILE  47   7.126   0.439   4.640
  378    HA   ILE  47           HA       ILE  47   5.094   1.784   5.814
  379    HB   ILE  47           HB       ILE  47   6.012  -0.511   6.362
  380   1HG1  ILE  47          1HG1      ILE  47   5.574  -0.521   8.813
  381   2HG1  ILE  47          2HG1      ILE  47   5.449   1.240   8.788
  382   1HG2  ILE  47          1HG2      ILE  47   8.001   0.952   8.145
  383   2HG2  ILE  47          2HG2      ILE  47   7.802  -0.796   7.962
  384   3HG2  ILE  47          3HG2      ILE  47   8.405   0.158   6.604
  385   1HD1  ILE  47          1HD1      ILE  47   3.521   1.098   7.272
  386   2HD1  ILE  47          2HD1      ILE  47   3.737  -0.662   7.118
  387   3HD1  ILE  47          3HD1      ILE  47   3.242   0.051   8.670
  388    H    GLU  48           H        GLU  48   8.433   2.828   6.027
  389    HA   GLU  48           HA       GLU  48   8.110   4.785   8.032
  390   1HB   GLU  48          1HB       GLU  48  10.272   4.754   7.718
  391   2HB   GLU  48          2HB       GLU  48  10.118   3.471   6.604
  392   1HG   GLU  48          1HG       GLU  48  10.038   4.930   4.703
  393   2HG   GLU  48          2HG       GLU  48  10.152   6.382   5.726
  394    H    GLU  49           H        GLU  49   6.846   4.479   4.910
  395    HA   GLU  49           HA       GLU  49   6.286   7.411   4.620
  396   1HB   GLU  49          1HB       GLU  49   7.204   5.404   2.535
  397   2HB   GLU  49          2HB       GLU  49   6.372   6.881   2.068
  398   1HG   GLU  49          1HG       GLU  49   8.902   6.948   3.737
  399   2HG   GLU  49          2HG       GLU  49   8.910   6.892   1.983
  400    H    ILE  50           H        ILE  50   4.893   4.791   5.563
  401    HA   ILE  50           HA       ILE  50   2.784   4.141   3.917
  402    HB   ILE  50           HB       ILE  50   3.547   2.996   5.969
  403   1HG1  ILE  50          1HG1      ILE  50   1.203   2.269   6.765
  404   2HG1  ILE  50          2HG1      ILE  50   0.567   3.369   5.542
  405   1HG2  ILE  50          1HG2      ILE  50   2.744   3.488   8.157
  406   2HG2  ILE  50          2HG2      ILE  50   3.440   4.989   7.540
  407   3HG2  ILE  50          3HG2      ILE  50   1.676   4.776   7.575
  408   1HD1  ILE  50          1HD1      ILE  50   0.791   1.003   4.777
  409   2HD1  ILE  50          2HD1      ILE  50   1.776   2.108   3.789
  410   3HD1  ILE  50          3HD1      ILE  50   2.541   1.089   5.024
  411    H    VAL  51           H        VAL  51   1.151   5.087   3.127
  412    HA   VAL  51           HA       VAL  51  -0.373   7.203   4.646
  413    HB   VAL  51           HB       VAL  51  -0.210   6.953   1.621
  414   1HG1  VAL  51          1HG1      VAL  51  -1.529   9.023   3.444
  415   2HG1  VAL  51          2HG1      VAL  51  -1.401   9.138   1.679
  416   3HG1  VAL  51          3HG1      VAL  51  -2.376   7.860   2.403
  417   1HG2  VAL  51          1HG2      VAL  51   1.040   8.994   3.507
  418   2HG2  VAL  51          2HG2      VAL  51   1.899   7.834   2.465
  419   3HG2  VAL  51          3HG2      VAL  51   0.965   9.139   1.735
  420    H    GLU  52           H        GLU  52  -1.735   5.820   5.746
  421    HA   GLU  52           HA       GLU  52  -3.276   3.796   4.260
  422   1HB   GLU  52          1HB       GLU  52  -3.935   4.674   7.073
  423   2HB   GLU  52          2HB       GLU  52  -4.241   3.134   6.243
  424   1HG   GLU  52          1HG       GLU  52  -1.824   2.597   6.349
  425   2HG   GLU  52          2HG       GLU  52  -1.518   4.134   7.163
  426    H    ILE  53           H        ILE  53  -5.123   4.090   3.246
  427    HA   ILE  53           HA       ILE  53  -6.404   6.745   3.192
  428    HB   ILE  53           HB       ILE  53  -7.050   4.234   1.614
  429   1HG1  ILE  53          1HG1      ILE  53  -4.761   4.735   1.067
  430   2HG1  ILE  53          2HG1      ILE  53  -5.801   5.161  -0.274
  431   1HG2  ILE  53          1HG2      ILE  53  -7.791   7.149   1.159
  432   2HG2  ILE  53          2HG2      ILE  53  -8.079   5.832   0.003
  433   3HG2  ILE  53          3HG2      ILE  53  -8.885   5.810   1.569
  434   1HD1  ILE  53          1HD1      ILE  53  -4.040   6.838   0.059
  435   2HD1  ILE  53          2HD1      ILE  53  -5.631   7.569   0.329
  436   3HD1  ILE  53          3HD1      ILE  53  -4.595   7.140   1.711
  437    H    VAL  54           H        VAL  54  -8.218   7.196   4.278
  438    HA   VAL  54           HA       VAL  54  -9.621   5.297   5.970
  439    HB   VAL  54           HB       VAL  54 -10.384   8.117   5.118
  440   1HG1  VAL  54          1HG1      VAL  54 -11.897   8.046   7.097
  441   2HG1  VAL  54          2HG1      VAL  54 -12.400   6.921   5.838
  442   3HG1  VAL  54          3HG1      VAL  54 -11.557   6.314   7.284
  443   1HG2  VAL  54          1HG2      VAL  54  -9.124   7.035   7.678
  444   2HG2  VAL  54          2HG2      VAL  54  -8.305   8.034   6.460
  445   3HG2  VAL  54          3HG2      VAL  54  -9.634   8.713   7.400
  446    HA   PRO  55           HA       PRO  55 -11.857   3.786   2.347
  447   1HB   PRO  55          1HB       PRO  55 -13.185   1.664   3.417
  448   2HB   PRO  55          2HB       PRO  55 -11.410   1.678   3.193
  449   1HG   PRO  55          1HG       PRO  55 -12.965   2.330   5.723
  450   2HG   PRO  55          2HG       PRO  55 -11.582   1.204   5.535
  451   1HD   PRO  55          1HD       PRO  55 -11.251   3.775   6.393
  452   2HD   PRO  55          2HD       PRO  55 -10.046   2.974   5.340
  453    H    SER  56           H        SER  56 -13.444   4.963   5.230
  454    HA   SER  56           HA       SER  56 -16.163   4.717   4.615
  455   1HB   SER  56          1HB       SER  56 -14.814   7.014   6.091
  456   2HB   SER  56          2HB       SER  56 -16.519   6.533   6.204
  457    HG   SER  56           HG       SER  56 -15.269   5.667   7.923
  Start of MODEL   15
    1    H    MET   1           H        MET   1  -5.876   1.633  -8.602
    2    HA   MET   1           HA       MET   1  -7.158   1.449  -6.686
    3   1HB   MET   1          1HB       MET   1  -9.006   1.856  -8.350
    4   2HB   MET   1          2HB       MET   1  -9.235   0.108  -8.461
    5   1HG   MET   1          1HG       MET   1  -9.841   0.035  -6.062
    6   2HG   MET   1          2HG       MET   1  -9.455   1.750  -5.904
    7   1HE   MET   1          1HE       MET   1 -11.533  -0.222  -8.740
    8   2HE   MET   1          2HE       MET   1 -11.938  -0.960  -7.174
    9   3HE   MET   1          3HE       MET   1 -13.160  -0.021  -8.062
   10    H    LEU   2           H        LEU   2  -6.251  -1.283  -8.463
   11    HA   LEU   2           HA       LEU   2  -6.675  -3.179  -6.173
   12   1HB   LEU   2          1HB       LEU   2  -6.001  -3.750  -9.085
   13   2HB   LEU   2          2HB       LEU   2  -6.184  -4.962  -7.822
   14    HG   LEU   2           HG       LEU   2  -8.390  -3.137  -8.874
   15   1HD1  LEU   2          1HD1      LEU   2  -7.946  -6.139  -9.147
   16   2HD1  LEU   2          2HD1      LEU   2  -9.329  -5.217  -9.785
   17   3HD1  LEU   2          3HD1      LEU   2  -7.706  -4.930 -10.429
   18   1HD2  LEU   2          1HD2      LEU   2  -9.919  -4.574  -7.535
   19   2HD2  LEU   2          2HD2      LEU   2  -8.508  -5.365  -6.789
   20   3HD2  LEU   2          3HD2      LEU   2  -8.832  -3.634  -6.512
   21    H    CYS   3           H        CYS   3  -5.064  -4.439  -5.384
   22    HA   CYS   3           HA       CYS   3  -2.814  -2.894  -4.808
   23   1HB   CYS   3          1HB       CYS   3  -3.888  -4.347  -3.216
   24   2HB   CYS   3          2HB       CYS   3  -3.702  -5.718  -4.251
   25    HG   CYS   3           HG       CYS   3  -2.290  -6.055  -2.130
   26    H    ALA   4           H        ALA   4  -0.732  -3.127  -4.981
   27    HA   ALA   4           HA       ALA   4   0.297  -3.822  -7.654
   28   1HB   ALA   4          1HB       ALA   4   1.913  -3.018  -5.219
   29   2HB   ALA   4          2HB       ALA   4   2.462  -3.092  -6.902
   30   3HB   ALA   4          3HB       ALA   4   1.245  -1.913  -6.426
   31    H    ILE   5           H        ILE   5   0.350  -5.139  -4.355
   32    HA   ILE   5           HA       ILE   5   2.578  -6.967  -4.755
   33    HB   ILE   5           HB       ILE   5   0.653  -6.475  -2.448
   34   1HG1  ILE   5          1HG1      ILE   5   3.023  -6.057  -1.374
   35   2HG1  ILE   5          2HG1      ILE   5   3.526  -5.798  -3.036
   36   1HG2  ILE   5          1HG2      ILE   5   2.129  -8.112  -1.168
   37   2HG2  ILE   5          2HG2      ILE   5   1.184  -8.910  -2.420
   38   3HG2  ILE   5          3HG2      ILE   5   2.908  -8.554  -2.690
   39   1HD1  ILE   5          1HD1      ILE   5   1.792  -3.978  -3.203
   40   2HD1  ILE   5          2HD1      ILE   5   1.277  -4.343  -1.544
   41   3HD1  ILE   5          3HD1      ILE   5   2.898  -3.707  -1.854
   42    H    SER   6           H        SER   6  -0.957  -7.456  -4.448
   43    HA   SER   6           HA       SER   6  -0.616 -10.041  -5.921
   44   1HB   SER   6          1HB       SER   6  -0.821 -10.341  -3.392
   45   2HB   SER   6          2HB       SER   6  -2.520  -9.877  -3.613
   46    HG   SER   6           HG       SER   6  -1.140 -12.069  -4.821
   47    H    GLY   7           H        GLY   7  -2.392  -7.068  -5.700
   48   1HA   GLY   7          1HA       GLY   7  -3.994  -6.329  -7.257
   49   2HA   GLY   7          2HA       GLY   7  -4.101  -7.970  -7.838
   50    H    LYS   8           H        LYS   8  -4.303  -7.904  -4.588
   51    HA   LYS   8           HA       LYS   8  -6.929  -8.718  -4.067
   52   1HB   LYS   8          1HB       LYS   8  -4.895  -8.889  -2.596
   53   2HB   LYS   8          2HB       LYS   8  -4.909  -7.141  -2.379
   54   1HG   LYS   8          1HG       LYS   8  -5.810  -8.110  -0.409
   55   2HG   LYS   8          2HG       LYS   8  -7.147  -7.346  -1.260
   56   1HD   LYS   8          1HD       LYS   8  -7.691  -9.661  -2.247
   57   2HD   LYS   8          2HD       LYS   8  -6.394 -10.298  -1.241
   58   1HE   LYS   8          1HE       LYS   8  -8.419 -10.682  -0.021
   59   2HE   LYS   8          2HE       LYS   8  -7.611  -9.336   0.789
   60   1HZ   LYS   8          1HZ       LYS   8  -9.147  -7.821  -0.466
   61   2HZ   LYS   8          2HZ       LYS   8  -9.898  -9.128  -1.110
   62   3HZ   LYS   8          3HZ       LYS   8  -9.962  -8.867   0.493
   63    H    VAL   9           H        VAL   9  -8.812  -7.705  -3.771
   64    HA   VAL   9           HA       VAL   9  -9.279  -4.874  -4.281
   65    HB   VAL   9           HB       VAL   9 -11.067  -6.937  -2.928
   66   1HG1  VAL   9          1HG1      VAL   9 -12.895  -5.343  -3.494
   67   2HG1  VAL   9          2HG1      VAL   9 -11.756  -4.629  -2.353
   68   3HG1  VAL   9          3HG1      VAL   9 -11.693  -4.169  -4.068
   69   1HG2  VAL   9          1HG2      VAL   9 -12.232  -7.018  -5.101
   70   2HG2  VAL   9          2HG2      VAL   9 -11.037  -5.906  -5.800
   71   3HG2  VAL   9          3HG2      VAL   9 -10.552  -7.533  -5.283
   72    HA   PRO  10           HA       PRO  10  -7.174  -4.122  -0.431
   73   1HB   PRO  10          1HB       PRO  10  -8.237  -1.313  -0.698
   74   2HB   PRO  10          2HB       PRO  10  -6.585  -1.894  -0.304
   75   1HG   PRO  10          1HG       PRO  10  -7.172  -1.053  -2.805
   76   2HG   PRO  10          2HG       PRO  10  -6.183  -2.533  -2.561
   77   1HD   PRO  10          1HD       PRO  10  -9.150  -2.328  -3.151
   78   2HD   PRO  10          2HD       PRO  10  -7.915  -3.372  -3.905
   79    H    ARG  11           H        ARG  11  -8.129  -5.237   1.121
   80    HA   ARG  11           HA       ARG  11 -10.536  -4.716   2.592
   81   1HB   ARG  11          1HB       ARG  11  -9.415  -6.835   2.719
   82   2HB   ARG  11          2HB       ARG  11  -7.915  -6.079   3.248
   83   1HG   ARG  11          1HG       ARG  11  -8.859  -5.551   5.431
   84   2HG   ARG  11          2HG       ARG  11 -10.454  -6.129   4.918
   85   1HD   ARG  11          1HD       ARG  11  -9.238  -7.773   6.322
   86   2HD   ARG  11          2HD       ARG  11  -9.634  -8.404   4.717
   87    HE   ARG  11           HE       ARG  11  -7.020  -7.385   4.458
   88   1HH1  ARG  11          2HH2      ARG  11  -8.406  -9.943   6.415
   89   2HH1  ARG  11          1HH2      ARG  11  -6.915 -10.853   6.344
   90   1HH2  ARG  11          2HH1      ARG  11  -5.338  -8.470   4.393
   91   2HH2  ARG  11          1HH1      ARG  11  -5.140 -10.026   5.220
   92    H    ARG  12           H        ARG  12  -7.221  -3.550   3.143
   93    HA   ARG  12           HA       ARG  12  -8.347  -1.094   4.443
   94   1HB   ARG  12          1HB       ARG  12  -5.920  -2.675   5.346
   95   2HB   ARG  12          2HB       ARG  12  -6.291  -1.037   5.885
   96   1HG   ARG  12          1HG       ARG  12  -8.045  -3.494   6.340
   97   2HG   ARG  12          2HG       ARG  12  -6.961  -2.763   7.518
   98   1HD   ARG  12          1HD       ARG  12  -8.255  -0.673   7.482
   99   2HD   ARG  12          2HD       ARG  12  -9.357  -1.337   6.279
  100    HE   ARG  12           HE       ARG  12  -9.232  -1.996   9.147
  101   1HH1  ARG  12          2HH2      ARG  12 -10.694  -2.958   6.075
  102   2HH1  ARG  12          1HH2      ARG  12 -12.012  -3.749   6.903
  103   1HH2  ARG  12          2HH1      ARG  12 -10.908  -3.062  10.072
  104   2HH2  ARG  12          1HH1      ARG  12 -12.108  -3.835   9.077
  105    HA   PRO  13           HA       PRO  13  -6.091  -0.028   0.633
  106   1HB   PRO  13          1HB       PRO  13  -7.095   2.576   0.383
  107   2HB   PRO  13          2HB       PRO  13  -7.829   1.093  -0.294
  108   1HG   PRO  13          1HG       PRO  13  -8.464   2.439   2.351
  109   2HG   PRO  13          2HG       PRO  13  -9.611   1.849   1.100
  110   1HD   PRO  13          1HD       PRO  13  -9.166   0.273   3.175
  111   2HD   PRO  13          2HD       PRO  13  -8.968  -0.431   1.521
  112    H    VAL  14           H        VAL  14  -4.246   0.692   0.416
  113    HA   VAL  14           HA       VAL  14  -3.126   2.866   2.147
  114    HB   VAL  14           HB       VAL  14  -2.827   0.188   2.794
  115   1HG1  VAL  14          1HG1      VAL  14  -1.398  -0.333   0.977
  116   2HG1  VAL  14          2HG1      VAL  14  -0.265   0.989   1.388
  117   3HG1  VAL  14          3HG1      VAL  14  -0.462  -0.386   2.476
  118   1HG2  VAL  14          1HG2      VAL  14  -2.540   1.891   4.363
  119   2HG2  VAL  14          2HG2      VAL  14  -1.033   0.982   4.322
  120   3HG2  VAL  14          3HG2      VAL  14  -1.124   2.566   3.503
  121    H    LEU  15           H        LEU  15  -1.388   4.005   1.342
  122    HA   LEU  15           HA       LEU  15  -0.782   3.579  -1.574
  123   1HB   LEU  15          1HB       LEU  15  -2.509   5.216  -1.385
  124   2HB   LEU  15          2HB       LEU  15  -1.765   5.972   0.008
  125    HG   LEU  15           HG       LEU  15   0.050   6.877  -1.429
  126   1HD1  LEU  15          1HD1      LEU  15  -0.231   6.960  -3.847
  127   2HD1  LEU  15          2HD1      LEU  15  -0.127   5.263  -3.363
  128   3HD1  LEU  15          3HD1      LEU  15  -1.698   5.969  -3.759
  129   1HD2  LEU  15          1HD2      LEU  15  -1.946   8.191  -0.828
  130   2HD2  LEU  15          2HD2      LEU  15  -1.338   8.620  -2.432
  131   3HD2  LEU  15          3HD2      LEU  15  -2.782   7.593  -2.276
  132    H    SER  16           H        SER  16   1.188   4.390  -2.308
  133    HA   SER  16           HA       SER  16   3.244   5.237  -0.311
  134   1HB   SER  16          1HB       SER  16   3.867   3.065  -1.116
  135   2HB   SER  16          2HB       SER  16   3.496   3.532  -2.796
  136    HG   SER  16           HG       SER  16   5.715   3.561  -2.327
  137    HA   PRO  17           HA       PRO  17   3.316   8.937  -3.019
  138   1HB   PRO  17          1HB       PRO  17   6.076   9.146  -1.816
  139   2HB   PRO  17          2HB       PRO  17   4.834  10.419  -2.014
  140   1HG   PRO  17          1HG       PRO  17   5.254   9.282   0.414
  141   2HG   PRO  17          2HG       PRO  17   3.580   9.585  -0.157
  142   1HD   PRO  17          1HD       PRO  17   5.149   6.993  -0.227
  143   2HD   PRO  17          2HD       PRO  17   3.460   7.281   0.286
  144    H    LYS  18           H        LYS  18   5.493   6.249  -3.018
  145    HA   LYS  18           HA       LYS  18   7.068   7.126  -5.390
  146   1HB   LYS  18          1HB       LYS  18   7.353   4.724  -3.559
  147   2HB   LYS  18          2HB       LYS  18   8.435   5.134  -4.878
  148   1HG   LYS  18          1HG       LYS  18   9.469   6.827  -3.762
  149   2HG   LYS  18          2HG       LYS  18   8.050   7.300  -2.832
  150   1HD   LYS  18          1HD       LYS  18   9.471   4.673  -2.326
  151   2HD   LYS  18          2HD       LYS  18   9.984   6.178  -1.537
  152   1HE   LYS  18          1HE       LYS  18   7.905   6.434  -0.414
  153   2HE   LYS  18          2HE       LYS  18   7.107   5.239  -1.438
  154   1HZ   LYS  18          1HZ       LYS  18   8.391   3.500  -0.445
  155   2HZ   LYS  18          2HZ       LYS  18   9.253   4.576   0.480
  156   3HZ   LYS  18          3HZ       LYS  18   7.657   4.347   0.742
  157    H    SER  19           H        SER  19   5.308   4.119  -4.445
  158    HA   SER  19           HA       SER  19   5.171   3.230  -7.207
  159   1HB   SER  19          1HB       SER  19   3.892   2.165  -4.670
  160   2HB   SER  19          2HB       SER  19   3.828   1.376  -6.252
  161    HG   SER  19           HG       SER  19   6.000   1.812  -4.528
  162    H    ARG  20           H        ARG  20   3.090   5.220  -5.313
  163    HA   ARG  20           HA       ARG  20   1.188   6.359  -5.656
  164   1HB   ARG  20          1HB       ARG  20   2.213   6.032  -8.470
  165   2HB   ARG  20          2HB       ARG  20   0.795   7.014  -8.128
  166   1HG   ARG  20          1HG       ARG  20   1.957   8.588  -6.864
  167   2HG   ARG  20          2HG       ARG  20   3.299   7.510  -6.502
  168   1HD   ARG  20          1HD       ARG  20   2.727   8.497  -9.312
  169   2HD   ARG  20          2HD       ARG  20   3.775   9.365  -8.177
  170    HE   ARG  20           HE       ARG  20   4.918   6.960  -8.021
  171   1HH1  ARG  20          2HH2      ARG  20   4.097   8.631 -10.989
  172   2HH1  ARG  20          1HH2      ARG  20   5.350   7.792 -11.870
  173   1HH2  ARG  20          2HH1      ARG  20   6.402   5.995  -9.115
  174   2HH2  ARG  20          1HH1      ARG  20   6.660   6.320 -10.821
  175    H    THR  21           H        THR  21   0.969   3.219  -6.926
  176    HA   THR  21           HA       THR  21  -1.934   3.254  -7.409
  177    HB   THR  21           HB       THR  21  -0.411   1.551  -8.494
  178    HG1  THR  21           1HG      THR  21  -1.791  -0.159  -8.117
  179   1HG2  THR  21          1HG2      THR  21   1.081   1.195  -6.515
  180   2HG2  THR  21          2HG2      THR  21  -0.253   0.256  -5.784
  181   3HG2  THR  21          3HG2      THR  21   0.455  -0.239  -7.343
  182    H    ILE  22           H        ILE  22  -3.211   1.504  -6.046
  183    HA   ILE  22           HA       ILE  22  -2.876   2.104  -3.120
  184    HB   ILE  22           HB       ILE  22  -5.448   1.352  -4.512
  185   1HG1  ILE  22          1HG1      ILE  22  -4.926   3.536  -5.371
  186   2HG1  ILE  22          2HG1      ILE  22  -6.249   3.639  -4.225
  187   1HG2  ILE  22          1HG2      ILE  22  -5.391   0.721  -2.157
  188   2HG2  ILE  22          2HG2      ILE  22  -4.869   2.355  -1.696
  189   3HG2  ILE  22          3HG2      ILE  22  -6.486   2.091  -2.383
  190   1HD1  ILE  22          1HD1      ILE  22  -4.725   4.541  -2.502
  191   2HD1  ILE  22          2HD1      ILE  22  -3.355   4.380  -3.618
  192   3HD1  ILE  22          3HD1      ILE  22  -4.666   5.516  -3.977
  193    H    PHE  23           H        PHE  23  -2.193   0.410  -2.030
  194    HA   PHE  23           HA       PHE  23  -2.920  -2.347  -2.917
  195   1HB   PHE  23          1HB       PHE  23  -0.759  -2.794  -1.299
  196   2HB   PHE  23          2HB       PHE  23  -0.823  -2.866  -3.047
  197    HD1  PHE  23           1HD      PHE  23   0.462  -1.508  -4.360
  198    HD2  PHE  23           2HD      PHE  23   0.227  -0.833  -0.239
  199    HE1  PHE  23           1HE      PHE  23   2.245   0.221  -4.621
  200    HE2  PHE  23           2HE      PHE  23   1.926   1.081  -0.434
  201    HZ   PHE  23           HZ       PHE  23   2.976   1.496  -2.626
  202    H    GLU  24           H        GLU  24  -2.800  -3.938  -1.048
  203    HA   GLU  24           HA       GLU  24  -4.641  -2.933   0.996
  204   1HB   GLU  24          1HB       GLU  24  -4.420  -5.365  -0.170
  205   2HB   GLU  24          2HB       GLU  24  -3.408  -5.648   1.247
  206   1HG   GLU  24          1HG       GLU  24  -6.089  -4.372   1.708
  207   2HG   GLU  24          2HG       GLU  24  -6.095  -6.032   1.133
  208    H    LYS  25           H        LYS  25  -3.994  -2.566   3.199
  209    HA   LYS  25           HA       LYS  25  -1.365  -1.702   3.849
  210   1HB   LYS  25          1HB       LYS  25  -3.371  -1.014   5.062
  211   2HB   LYS  25          2HB       LYS  25  -3.616  -2.671   5.642
  212   1HG   LYS  25          1HG       LYS  25  -1.519  -2.609   6.891
  213   2HG   LYS  25          2HG       LYS  25  -1.115  -1.018   6.216
  214   1HD   LYS  25          1HD       LYS  25  -3.007   0.005   7.369
  215   2HD   LYS  25          2HD       LYS  25  -3.557  -1.584   7.955
  216   1HE   LYS  25          1HE       LYS  25  -1.518  -1.875   9.263
  217   2HE   LYS  25          2HE       LYS  25  -0.825  -0.392   8.586
  218   1HZ   LYS  25          1HZ       LYS  25  -2.543   0.886   9.655
  219   2HZ   LYS  25          2HZ       LYS  25  -3.273  -0.452  10.268
  220   3HZ   LYS  25          3HZ       LYS  25  -1.786  -0.013  10.794
  221    H    SER  26           H        SER  26  -3.058  -4.753   4.352
  222    HA   SER  26           HA       SER  26  -0.994  -6.011   5.827
  223   1HB   SER  26          1HB       SER  26  -3.051  -7.500   4.168
  224   2HB   SER  26          2HB       SER  26  -2.216  -8.062   5.621
  225    HG   SER  26           HG       SER  26  -4.197  -6.062   5.342
  226    H    LEU  27           H        LEU  27  -1.646  -6.105   2.278
  227    HA   LEU  27           HA       LEU  27   0.319  -8.158   1.741
  228   1HB   LEU  27          1HB       LEU  27  -1.010  -6.152  -0.135
  229   2HB   LEU  27          2HB       LEU  27  -0.054  -7.545  -0.579
  230    HG   LEU  27           HG       LEU  27  -2.898  -7.377   0.098
  231   1HD1  LEU  27          1HD1      LEU  27  -2.007  -8.001  -2.072
  232   2HD1  LEU  27          2HD1      LEU  27  -1.217  -9.418  -1.335
  233   3HD1  LEU  27          3HD1      LEU  27  -2.992  -9.302  -1.369
  234   1HD2  LEU  27          1HD2      LEU  27  -3.096  -9.715   0.915
  235   2HD2  LEU  27          2HD2      LEU  27  -1.334  -9.791   1.117
  236   3HD2  LEU  27          3HD2      LEU  27  -2.319  -8.685   2.107
  237    H    LEU  28           H        LEU  28   0.306  -4.603   1.624
  238    HA   LEU  28           HA       LEU  28   2.927  -4.275   0.450
  239   1HB   LEU  28          1HB       LEU  28   1.371  -2.420   0.625
  240   2HB   LEU  28          2HB       LEU  28   1.456  -2.462   2.386
  241    HG   LEU  28           HG       LEU  28   4.021  -2.090   2.139
  242   1HD1  LEU  28          1HD1      LEU  28   3.180  -1.497  -0.719
  243   2HD1  LEU  28          2HD1      LEU  28   4.691  -0.936   0.016
  244   3HD1  LEU  28          3HD1      LEU  28   4.391  -2.665  -0.163
  245   1HD2  LEU  28          1HD2      LEU  28   2.685  -0.402   2.978
  246   2HD2  LEU  28          2HD2      LEU  28   3.700   0.351   1.730
  247   3HD2  LEU  28          3HD2      LEU  28   1.986  -0.017   1.405
  248    H    GLU  29           H        GLU  29   1.663  -4.405   3.828
  249    HA   GLU  29           HA       GLU  29   4.116  -4.030   5.215
  250   1HB   GLU  29          1HB       GLU  29   1.814  -3.985   6.249
  251   2HB   GLU  29          2HB       GLU  29   1.789  -5.751   6.144
  252   1HG   GLU  29          1HG       GLU  29   4.093  -5.504   7.497
  253   2HG   GLU  29          2HG       GLU  29   3.439  -3.923   7.898
  254    H    GLN  30           H        GLN  30   2.619  -7.039   4.005
  255    HA   GLN  30           HA       GLN  30   4.585  -8.864   4.991
  256   1HB   GLN  30          1HB       GLN  30   2.396  -9.497   3.988
  257   2HB   GLN  30          2HB       GLN  30   2.991  -9.059   2.400
  258   1HG   GLN  30          1HG       GLN  30   3.118 -11.501   2.803
  259   2HG   GLN  30          2HG       GLN  30   4.688 -10.792   2.444
  260   1HE2  GLN  30          1HE2      GLN  30   6.355 -11.624   3.758
  261   2HE2  GLN  30          2HE2      GLN  30   6.053 -12.179   5.403
  262    H    TYR  31           H        TYR  31   4.414  -7.143   1.905
  263    HA   TYR  31           HA       TYR  31   6.777  -8.335   0.737
  264   1HB   TYR  31          1HB       TYR  31   4.901  -7.255  -0.512
  265   2HB   TYR  31          2HB       TYR  31   5.409  -5.685   0.096
  266    HD1  TYR  31           1HD      TYR  31   6.857  -4.396  -1.294
  267    HD2  TYR  31           2HD      TYR  31   6.807  -8.672  -1.662
  268    HE1  TYR  31           1HE      TYR  31   8.424  -4.264  -3.228
  269    HE2  TYR  31           2HE      TYR  31   8.242  -8.487  -3.744
  270    HH   TYR  31           HH       TYR  31   9.496  -5.373  -4.893
  271    H    VAL  32           H        VAL  32   6.213  -5.451   2.625
  272    HA   VAL  32           HA       VAL  32   8.957  -4.565   2.312
  273    HB   VAL  32           HB       VAL  32   6.465  -3.358   3.444
  274   1HG1  VAL  32          1HG1      VAL  32   8.160  -2.385   4.876
  275   2HG1  VAL  32          2HG1      VAL  32   9.066  -1.860   3.433
  276   3HG1  VAL  32          3HG1      VAL  32   7.443  -1.242   3.748
  277   1HG2  VAL  32          1HG2      VAL  32   8.123  -2.349   1.165
  278   2HG2  VAL  32          2HG2      VAL  32   6.900  -3.604   0.943
  279   3HG2  VAL  32          3HG2      VAL  32   6.415  -2.051   1.556
  280    H    LYS  33           H        LYS  33   7.423  -6.553   4.544
  281    HA   LYS  33           HA       LYS  33   9.665  -6.228   6.523
  282   1HB   LYS  33          1HB       LYS  33   8.505  -7.330   8.156
  283   2HB   LYS  33          2HB       LYS  33   7.332  -6.265   7.401
  284   1HG   LYS  33          1HG       LYS  33   6.515  -8.319   6.088
  285   2HG   LYS  33          2HG       LYS  33   7.546  -9.300   7.135
  286   1HD   LYS  33          1HD       LYS  33   6.352  -8.454   9.126
  287   2HD   LYS  33          2HD       LYS  33   5.384  -7.375   8.107
  288   1HE   LYS  33          1HE       LYS  33   4.446  -9.362   6.928
  289   2HE   LYS  33          2HE       LYS  33   5.343 -10.419   8.025
  290   1HZ   LYS  33          1HZ       LYS  33   3.039 -10.043   8.766
  291   2HZ   LYS  33          2HZ       LYS  33   4.085  -9.450   9.868
  292   3HZ   LYS  33          3HZ       LYS  33   3.287  -8.427   8.870
  293    H    ASP  34           H        ASP  34   8.792  -7.956   3.850
  294    HA   ASP  34           HA       ASP  34  10.513 -10.311   4.136
  295   1HB   ASP  34          1HB       ASP  34   8.613  -9.180   2.186
  296   2HB   ASP  34          2HB       ASP  34  10.065  -9.666   1.394
  297    H    THR  35           H        THR  35  10.627  -7.453   1.974
  298    HA   THR  35           HA       THR  35  13.632  -7.378   2.142
  299    HB   THR  35           HB       THR  35  13.684  -6.731  -0.187
  300    HG1  THR  35           1HG      THR  35  11.747  -6.956  -1.410
  301   1HG2  THR  35          1HG2      THR  35  13.817  -9.159   0.353
  302   2HG2  THR  35          2HG2      THR  35  12.066  -9.296   0.087
  303   3HG2  THR  35          3HG2      THR  35  13.134  -8.836  -1.253
  304    H    GLY  36           H        GLY  36  10.657  -5.471   2.208
  305   1HA   GLY  36          1HA       GLY  36  10.539  -3.350   3.182
  306   2HA   GLY  36          2HA       GLY  36  12.258  -3.114   2.994
  307    H    ASN  37           H        ASN  37  11.792  -4.130   0.087
  308    HA   ASN  37           HA       ASN  37  11.862  -1.448  -1.022
  309   1HB   ASN  37          1HB       ASN  37  11.575  -4.175  -2.375
  310   2HB   ASN  37          2HB       ASN  37  12.001  -2.686  -3.199
  311   1HD2  ASN  37          1HD2      ASN  37  14.133  -1.682  -2.744
  312   2HD2  ASN  37          2HD2      ASN  37  15.386  -2.721  -2.056
  313    H    ASP  38           H        ASP  38  10.337  -0.234  -2.176
  314    HA   ASP  38           HA       ASP  38   7.563  -0.707  -1.954
  315   1HB   ASP  38          1HB       ASP  38   9.333   1.139  -3.451
  316   2HB   ASP  38          2HB       ASP  38   7.899   0.734  -4.335
  317    HA   PRO  39           HA       PRO  39   6.871  -4.000  -4.802
  318   1HB   PRO  39          1HB       PRO  39   4.267  -3.750  -5.476
  319   2HB   PRO  39          2HB       PRO  39   4.809  -4.084  -3.804
  320   1HG   PRO  39          1HG       PRO  39   4.115  -1.373  -4.989
  321   2HG   PRO  39          2HG       PRO  39   3.462  -2.117  -3.494
  322   1HD   PRO  39          1HD       PRO  39   5.524  -0.383  -3.385
  323   2HD   PRO  39          2HD       PRO  39   5.506  -1.841  -2.346
  324    H    ILE  40           H        ILE  40   6.821  -0.782  -6.071
  325    HA   ILE  40           HA       ILE  40   6.930  -1.856  -8.886
  326    HB   ILE  40           HB       ILE  40   5.387   0.517  -7.834
  327   1HG1  ILE  40          1HG1      ILE  40   4.420  -1.563  -9.826
  328   2HG1  ILE  40          2HG1      ILE  40   4.453  -1.958  -8.111
  329   1HG2  ILE  40          1HG2      ILE  40   4.888   1.115 -10.216
  330   2HG2  ILE  40          2HG2      ILE  40   6.564   1.406  -9.770
  331   3HG2  ILE  40          3HG2      ILE  40   6.143  -0.026 -10.735
  332   1HD1  ILE  40          1HD1      ILE  40   2.255  -1.142  -8.798
  333   2HD1  ILE  40          2HD1      ILE  40   3.006  -0.148  -7.537
  334   3HD1  ILE  40          3HD1      ILE  40   2.952   0.435  -9.219
  335    H    THR  41           H        THR  41   7.910   0.848  -6.718
  336    HA   THR  41           HA       THR  41   9.953   1.700  -8.662
  337    HB   THR  41           HB       THR  41  10.537   3.416  -6.944
  338    HG1  THR  41           1HG      THR  41   8.108   2.491  -5.895
  339   1HG2  THR  41          1HG2      THR  41   7.630   3.357  -7.875
  340   2HG2  THR  41          2HG2      THR  41   8.564   4.785  -7.366
  341   3HG2  THR  41          3HG2      THR  41   9.018   3.914  -8.841
  342    H    ASN  42           H        ASN  42   9.830  -0.655  -6.213
  343    HA   ASN  42           HA       ASN  42  11.115  -1.557  -4.742
  344   1HB   ASN  42          1HB       ASN  42  12.938  -2.699  -5.555
  345   2HB   ASN  42          2HB       ASN  42  11.786  -2.576  -6.857
  346   1HD2  ASN  42          1HD2      ASN  42  14.701  -0.838  -5.626
  347   2HD2  ASN  42          2HD2      ASN  42  15.368  -0.560  -7.242
  348    H    GLU  43           H        GLU  43  11.074   1.328  -4.458
  349    HA   GLU  43           HA       GLU  43  13.613   2.229  -3.433
  350   1HB   GLU  43          1HB       GLU  43  10.745   2.992  -2.902
  351   2HB   GLU  43          2HB       GLU  43  12.110   3.891  -2.228
  352   1HG   GLU  43          1HG       GLU  43  12.147   3.398  -5.210
  353   2HG   GLU  43          2HG       GLU  43  10.903   4.449  -4.597
  354    HA   PRO  44           HA       PRO  44  13.680  -0.549   0.159
  355   1HB   PRO  44          1HB       PRO  44  15.683   1.495   1.122
  356   2HB   PRO  44          2HB       PRO  44  15.766  -0.293   1.192
  357   1HG   PRO  44          1HG       PRO  44  17.121   1.054  -0.721
  358   2HG   PRO  44          2HG       PRO  44  16.216  -0.433  -1.149
  359   1HD   PRO  44          1HD       PRO  44  15.376   2.449  -1.539
  360   2HD   PRO  44          2HD       PRO  44  15.246   1.064  -2.665
  361    H    LEU  45           H        LEU  45  12.231  -0.601   1.706
  362    HA   LEU  45           HA       LEU  45  10.863  -0.247   3.380
  363   1HB   LEU  45          1HB       LEU  45  12.489   2.208   4.018
  364   2HB   LEU  45          2HB       LEU  45  11.066   1.746   4.930
  365    HG   LEU  45           HG       LEU  45  13.377  -0.197   4.500
  366   1HD1  LEU  45          1HD1      LEU  45  14.242   1.825   5.614
  367   2HD1  LEU  45          2HD1      LEU  45  12.933   1.739   6.814
  368   3HD1  LEU  45          3HD1      LEU  45  14.172   0.460   6.740
  369   1HD2  LEU  45          1HD2      LEU  45  11.155  -0.057   6.590
  370   2HD2  LEU  45          2HD2      LEU  45  11.269  -1.238   5.267
  371   3HD2  LEU  45          3HD2      LEU  45  12.473  -1.243   6.552
  372    H    SER  46           H        SER  46   8.899   0.467   3.758
  373    HA   SER  46           HA       SER  46   7.714   2.462   1.928
  374   1HB   SER  46          1HB       SER  46   7.641  -0.037   1.113
  375   2HB   SER  46          2HB       SER  46   6.205  -0.042   2.152
  376    HG   SER  46           HG       SER  46   6.783   1.573  -0.103
  377    H    ILE  47           H        ILE  47   6.733   0.118   4.394
  378    HA   ILE  47           HA       ILE  47   4.634   1.553   5.400
  379    HB   ILE  47           HB       ILE  47   5.206  -0.905   5.698
  380   1HG1  ILE  47          1HG1      ILE  47   4.210  -1.126   8.021
  381   2HG1  ILE  47          2HG1      ILE  47   4.179   0.638   8.110
  382   1HG2  ILE  47          1HG2      ILE  47   7.520  -0.578   6.591
  383   2HG2  ILE  47          2HG2      ILE  47   6.810   0.019   8.113
  384   3HG2  ILE  47          3HG2      ILE  47   6.519  -1.645   7.579
  385   1HD1  ILE  47          1HD1      ILE  47   2.734   0.673   6.065
  386   2HD1  ILE  47          2HD1      ILE  47   2.799  -1.101   6.004
  387   3HD1  ILE  47          3HD1      ILE  47   2.010  -0.283   7.372
  388    H    GLU  48           H        GLU  48   7.922   1.964   6.216
  389    HA   GLU  48           HA       GLU  48   7.602   3.713   8.519
  390   1HB   GLU  48          1HB       GLU  48   9.914   3.251   6.588
  391   2HB   GLU  48          2HB       GLU  48  10.016   4.271   8.019
  392   1HG   GLU  48          1HG       GLU  48   9.397   1.285   8.072
  393   2HG   GLU  48          2HG       GLU  48  10.975   2.004   8.349
  394    H    GLU  49           H        GLU  49   6.829   4.058   5.286
  395    HA   GLU  49           HA       GLU  49   6.890   7.049   5.416
  396   1HB   GLU  49          1HB       GLU  49   8.829   5.993   4.139
  397   2HB   GLU  49          2HB       GLU  49   7.654   5.429   2.951
  398   1HG   GLU  49          1HG       GLU  49   7.166   7.682   2.266
  399   2HG   GLU  49          2HG       GLU  49   7.902   8.363   3.723
  400    H    ILE  50           H        ILE  50   4.915   4.638   5.563
  401    HA   ILE  50           HA       ILE  50   3.228   4.559   3.437
  402    HB   ILE  50           HB       ILE  50   3.436   3.091   5.457
  403   1HG1  ILE  50          1HG1      ILE  50   1.121   2.272   5.521
  404   2HG1  ILE  50          2HG1      ILE  50   0.583   3.691   4.625
  405   1HG2  ILE  50          1HG2      ILE  50   1.431   4.944   6.786
  406   2HG2  ILE  50          2HG2      ILE  50   2.071   3.418   7.425
  407   3HG2  ILE  50          3HG2      ILE  50   3.143   4.811   7.224
  408   1HD1  ILE  50          1HD1      ILE  50   2.793   1.845   3.612
  409   2HD1  ILE  50          2HD1      ILE  50   1.083   1.545   3.275
  410   3HD1  ILE  50          3HD1      ILE  50   1.845   3.018   2.672
  411    H    VAL  51           H        VAL  51   1.307   5.235   2.875
  412    HA   VAL  51           HA       VAL  51  -0.010   7.564   4.252
  413    HB   VAL  51           HB       VAL  51   0.002   7.079   1.250
  414   1HG1  VAL  51          1HG1      VAL  51  -1.238   9.283   2.963
  415   2HG1  VAL  51          2HG1      VAL  51  -1.145   9.294   1.190
  416   3HG1  VAL  51          3HG1      VAL  51  -2.125   8.073   2.006
  417   1HG2  VAL  51          1HG2      VAL  51   1.299   9.288   2.907
  418   2HG2  VAL  51          2HG2      VAL  51   2.161   8.005   2.040
  419   3HG2  VAL  51          3HG2      VAL  51   1.239   9.211   1.130
  420    H    GLU  52           H        GLU  52  -1.243   6.187   5.550
  421    HA   GLU  52           HA       GLU  52  -2.809   4.024   4.357
  422   1HB   GLU  52          1HB       GLU  52  -3.218   5.202   7.116
  423   2HB   GLU  52          2HB       GLU  52  -3.696   3.602   6.511
  424   1HG   GLU  52          1HG       GLU  52  -1.388   2.868   6.440
  425   2HG   GLU  52          2HG       GLU  52  -0.814   4.485   6.882
  426    H    ILE  53           H        ILE  53  -4.883   3.973   3.728
  427    HA   ILE  53           HA       ILE  53  -6.529   6.476   3.899
  428    HB   ILE  53           HB       ILE  53  -6.383   4.324   1.771
  429   1HG1  ILE  53          1HG1      ILE  53  -5.821   7.301   1.451
  430   2HG1  ILE  53          2HG1      ILE  53  -4.549   6.172   1.886
  431   1HG2  ILE  53          1HG2      ILE  53  -8.023   5.709   0.496
  432   2HG2  ILE  53          2HG2      ILE  53  -8.713   5.044   1.957
  433   3HG2  ILE  53          3HG2      ILE  53  -8.220   6.754   1.919
  434   1HD1  ILE  53          1HD1      ILE  53  -4.942   4.857  -0.154
  435   2HD1  ILE  53          2HD1      ILE  53  -6.161   6.044  -0.682
  436   3HD1  ILE  53          3HD1      ILE  53  -4.474   6.535  -0.483
  437    H    VAL  54           H        VAL  54  -8.717   6.297   4.430
  438    HA   VAL  54           HA       VAL  54  -9.395   4.150   6.243
  439    HB   VAL  54           HB       VAL  54 -11.624   5.246   6.395
  440   1HG1  VAL  54          1HG1      VAL  54  -9.751   5.840   7.880
  441   2HG1  VAL  54          2HG1      VAL  54  -9.238   7.107   6.748
  442   3HG1  VAL  54          3HG1      VAL  54 -10.808   7.225   7.569
  443   1HG2  VAL  54          1HG2      VAL  54 -11.791   6.268   4.130
  444   2HG2  VAL  54          2HG2      VAL  54 -11.989   7.456   5.421
  445   3HG2  VAL  54          3HG2      VAL  54 -10.458   7.374   4.538
  446    HA   PRO  55           HA       PRO  55 -11.376   1.405   3.321
  447   1HB   PRO  55          1HB       PRO  55 -12.731  -0.285   4.972
  448   2HB   PRO  55          2HB       PRO  55 -10.942  -0.232   4.905
  449   1HG   PRO  55          1HG       PRO  55 -12.772   1.177   6.888
  450   2HG   PRO  55          2HG       PRO  55 -11.345   0.150   7.244
  451   1HD   PRO  55          1HD       PRO  55 -11.175   2.867   7.141
  452   2HD   PRO  55          2HD       PRO  55  -9.842   1.828   6.547
  453    H    SER  56           H        SER  56 -13.226   3.488   5.389
  454    HA   SER  56           HA       SER  56 -15.469   3.569   3.475
  455   1HB   SER  56          1HB       SER  56 -16.143   1.855   5.142
  456   2HB   SER  56          2HB       SER  56 -15.916   3.045   6.442
  457    HG   SER  56           HG       SER  56 -18.108   2.901   5.694
  Start of MODEL   16
    1    H    MET   1           H        MET   1  -6.197   2.198  -7.988
    2    HA   MET   1           HA       MET   1  -7.205   1.382  -6.010
    3   1HB   MET   1          1HB       MET   1  -9.150   0.670  -8.236
    4   2HB   MET   1          2HB       MET   1  -9.585   0.767  -6.528
    5   1HG   MET   1          1HG       MET   1  -8.509   3.070  -8.192
    6   2HG   MET   1          2HG       MET   1 -10.196   2.803  -7.763
    7   1HE   MET   1          1HE       MET   1 -10.307   5.322  -6.916
    8   2HE   MET   1          2HE       MET   1  -9.198   6.004  -5.703
    9   3HE   MET   1          3HE       MET   1  -8.582   5.541  -7.304
   10    H    LEU   2           H        LEU   2  -6.046  -0.946  -8.042
   11    HA   LEU   2           HA       LEU   2  -6.612  -3.134  -6.072
   12   1HB   LEU   2          1HB       LEU   2  -5.984  -3.409  -9.038
   13   2HB   LEU   2          2HB       LEU   2  -6.112  -4.751  -7.905
   14    HG   LEU   2           HG       LEU   2  -8.392  -2.875  -8.677
   15   1HD1  LEU   2          1HD1      LEU   2  -7.868  -5.793  -9.375
   16   2HD1  LEU   2          2HD1      LEU   2  -9.297  -4.840  -9.839
   17   3HD1  LEU   2          3HD1      LEU   2  -7.702  -4.410 -10.481
   18   1HD2  LEU   2          1HD2      LEU   2  -8.384  -5.372  -6.918
   19   2HD2  LEU   2          2HD2      LEU   2  -8.747  -3.708  -6.395
   20   3HD2  LEU   2          3HD2      LEU   2  -9.833  -4.532  -7.513
   21    H    CYS   3           H        CYS   3  -4.988  -4.483  -5.412
   22    HA   CYS   3           HA       CYS   3  -2.761  -2.882  -4.770
   23   1HB   CYS   3          1HB       CYS   3  -3.868  -4.365  -3.201
   24   2HB   CYS   3          2HB       CYS   3  -3.617  -5.727  -4.226
   25    HG   CYS   3           HG       CYS   3  -2.232  -5.993  -2.083
   26    H    ALA   4           H        ALA   4  -0.690  -3.082  -5.020
   27    HA   ALA   4           HA       ALA   4   0.233  -4.141  -7.663
   28   1HB   ALA   4          1HB       ALA   4   0.758  -1.760  -6.969
   29   2HB   ALA   4          2HB       ALA   4   1.910  -2.459  -5.798
   30   3HB   ALA   4          3HB       ALA   4   2.120  -2.750  -7.520
   31    H    ILE   5           H        ILE   5   0.312  -5.066  -4.330
   32    HA   ILE   5           HA       ILE   5   2.729  -6.727  -4.568
   33    HB   ILE   5           HB       ILE   5   0.659  -6.389  -2.368
   34   1HG1  ILE   5          1HG1      ILE   5   2.944  -5.849  -1.171
   35   2HG1  ILE   5          2HG1      ILE   5   3.504  -5.503  -2.801
   36   1HG2  ILE   5          1HG2      ILE   5   1.346  -8.777  -2.411
   37   2HG2  ILE   5          2HG2      ILE   5   3.055  -8.308  -2.575
   38   3HG2  ILE   5          3HG2      ILE   5   2.173  -7.982  -1.073
   39   1HD1  ILE   5          1HD1      ILE   5   1.088  -4.275  -1.384
   40   2HD1  ILE   5          2HD1      ILE   5   2.655  -3.494  -1.623
   41   3HD1  ILE   5          3HD1      ILE   5   1.631  -3.825  -3.018
   42    H    SER   6           H        SER   6  -0.820  -7.387  -4.328
   43    HA   SER   6           HA       SER   6  -0.325  -9.794  -6.024
   44   1HB   SER   6          1HB       SER   6  -2.050  -9.973  -3.562
   45   2HB   SER   6          2HB       SER   6  -1.699 -11.255  -4.712
   46    HG   SER   6           HG       SER   6   0.525 -11.084  -4.127
   47    H    GLY   7           H        GLY   7  -2.305  -7.013  -5.696
   48   1HA   GLY   7          1HA       GLY   7  -3.851  -6.397  -7.370
   49   2HA   GLY   7          2HA       GLY   7  -3.816  -8.060  -7.911
   50    H    LYS   8           H        LYS   8  -4.331  -8.022  -4.761
   51    HA   LYS   8           HA       LYS   8  -7.071  -8.936  -4.659
   52   1HB   LYS   8          1HB       LYS   8  -5.227  -9.545  -3.138
   53   2HB   LYS   8          2HB       LYS   8  -5.078  -7.865  -2.606
   54   1HG   LYS   8          1HG       LYS   8  -7.346  -8.013  -1.578
   55   2HG   LYS   8          2HG       LYS   8  -7.485  -9.696  -2.149
   56   1HD   LYS   8          1HD       LYS   8  -5.414 -10.254  -0.858
   57   2HD   LYS   8          2HD       LYS   8  -5.340  -8.574  -0.297
   58   1HE   LYS   8          1HE       LYS   8  -7.636  -8.862   0.706
   59   2HE   LYS   8          2HE       LYS   8  -7.571 -10.583   0.274
   60   1HZ   LYS   8          1HZ       LYS   8  -5.556 -10.735   1.700
   61   2HZ   LYS   8          2HZ       LYS   8  -5.711  -9.137   2.088
   62   3HZ   LYS   8          3HZ       LYS   8  -6.844 -10.216   2.566
   63    H    VAL   9           H        VAL   9  -8.898  -7.870  -3.965
   64    HA   VAL   9           HA       VAL   9  -9.172  -4.973  -4.242
   65    HB   VAL   9           HB       VAL   9 -11.102  -7.011  -3.051
   66   1HG1  VAL   9          1HG1      VAL   9 -12.808  -5.244  -3.448
   67   2HG1  VAL   9          2HG1      VAL   9 -11.608  -4.715  -2.271
   68   3HG1  VAL   9          3HG1      VAL   9 -11.525  -4.118  -3.943
   69   1HG2  VAL   9          1HG2      VAL   9 -10.666  -7.447  -5.448
   70   2HG2  VAL   9          2HG2      VAL   9 -12.295  -6.821  -5.195
   71   3HG2  VAL   9          3HG2      VAL   9 -11.027  -5.748  -5.824
   72    HA   PRO  10           HA       PRO  10  -7.125  -4.848  -0.264
   73   1HB   PRO  10          1HB       PRO  10  -6.879  -2.162   0.149
   74   2HB   PRO  10          2HB       PRO  10  -5.916  -3.073  -1.051
   75   1HG   PRO  10          1HG       PRO  10  -8.430  -1.461  -1.552
   76   2HG   PRO  10          2HG       PRO  10  -6.885  -1.423  -2.460
   77   1HD   PRO  10          1HD       PRO  10  -9.012  -2.905  -3.299
   78   2HD   PRO  10          2HD       PRO  10  -7.333  -3.484  -3.500
   79    H    ARG  11           H        ARG  11  -8.216  -5.546   1.440
   80    HA   ARG  11           HA       ARG  11 -10.729  -4.498   2.464
   81   1HB   ARG  11          1HB       ARG  11  -8.550  -6.180   3.791
   82   2HB   ARG  11          2HB       ARG  11 -10.128  -5.822   4.503
   83   1HG   ARG  11          1HG       ARG  11 -11.267  -6.928   2.602
   84   2HG   ARG  11          2HG       ARG  11  -9.696  -7.322   1.876
   85   1HD   ARG  11          1HD       ARG  11  -9.091  -8.667   3.838
   86   2HD   ARG  11          2HD       ARG  11 -10.602  -8.248   4.641
   87    HE   ARG  11           HE       ARG  11 -10.203 -10.183   2.451
   88   1HH1  ARG  11          2HH2      ARG  11 -12.674  -8.423   4.209
   89   2HH1  ARG  11          1HH2      ARG  11 -13.924  -9.535   3.713
   90   1HH2  ARG  11          2HH1      ARG  11 -11.829 -11.530   1.856
   91   2HH2  ARG  11          1HH1      ARG  11 -13.449 -11.238   2.418
   92    H    ARG  12           H        ARG  12  -7.345  -3.790   3.191
   93    HA   ARG  12           HA       ARG  12  -8.172  -1.277   4.642
   94   1HB   ARG  12          1HB       ARG  12  -5.859  -3.182   5.097
   95   2HB   ARG  12          2HB       ARG  12  -5.913  -1.554   5.785
   96   1HG   ARG  12          1HG       ARG  12  -7.770  -2.029   7.160
   97   2HG   ARG  12          2HG       ARG  12  -8.208  -3.488   6.273
   98   1HD   ARG  12          1HD       ARG  12  -5.632  -3.201   7.865
   99   2HD   ARG  12          2HD       ARG  12  -7.114  -3.888   8.520
  100    HE   ARG  12           HE       ARG  12  -5.228  -5.201   6.725
  101   1HH1  ARG  12          2HH2      ARG  12  -8.589  -5.347   7.731
  102   2HH1  ARG  12          1HH2      ARG  12  -8.726  -7.010   7.227
  103   1HH2  ARG  12          2HH1      ARG  12  -5.471  -7.217   6.130
  104   2HH2  ARG  12          1HH1      ARG  12  -7.005  -8.053   6.307
  105    HA   PRO  13           HA       PRO  13  -6.087  -0.184   0.658
  106   1HB   PRO  13          1HB       PRO  13  -7.282   2.297   0.307
  107   2HB   PRO  13          2HB       PRO  13  -7.948   0.741  -0.245
  108   1HG   PRO  13          1HG       PRO  13  -8.555   2.188   2.358
  109   2HG   PRO  13          2HG       PRO  13  -9.720   1.520   1.162
  110   1HD   PRO  13          1HD       PRO  13  -9.152   0.005   3.263
  111   2HD   PRO  13          2HD       PRO  13  -8.966  -0.722   1.615
  112    H    VAL  14           H        VAL  14  -4.249   0.526   0.574
  113    HA   VAL  14           HA       VAL  14  -3.247   2.830   2.209
  114    HB   VAL  14           HB       VAL  14  -2.897   0.213   3.012
  115   1HG1  VAL  14          1HG1      VAL  14  -0.474  -0.300   2.767
  116   2HG1  VAL  14          2HG1      VAL  14  -1.432  -0.447   1.294
  117   3HG1  VAL  14          3HG1      VAL  14  -0.346   0.950   1.545
  118   1HG2  VAL  14          1HG2      VAL  14  -1.219   2.642   3.598
  119   2HG2  VAL  14          2HG2      VAL  14  -2.647   2.012   4.473
  120   3HG2  VAL  14          3HG2      VAL  14  -1.137   1.113   4.513
  121    H    LEU  15           H        LEU  15  -1.334   3.884   1.400
  122    HA   LEU  15           HA       LEU  15  -0.565   3.238  -1.410
  123   1HB   LEU  15          1HB       LEU  15  -2.407   4.755  -1.480
  124   2HB   LEU  15          2HB       LEU  15  -1.727   5.807  -0.254
  125    HG   LEU  15           HG       LEU  15  -0.170   5.456  -2.817
  126   1HD1  LEU  15          1HD1      LEU  15  -2.468   5.806  -3.613
  127   2HD1  LEU  15          2HD1      LEU  15  -2.654   7.200  -2.525
  128   3HD1  LEU  15          3HD1      LEU  15  -1.498   7.258  -3.876
  129   1HD2  LEU  15          1HD2      LEU  15   0.371   7.808  -2.458
  130   2HD2  LEU  15          2HD2      LEU  15  -0.785   7.914  -1.116
  131   3HD2  LEU  15          3HD2      LEU  15   0.683   6.937  -0.955
  132    H    SER  16           H        SER  16   1.476   4.175  -2.035
  133    HA   SER  16           HA       SER  16   3.080   5.449   0.114
  134   1HB   SER  16          1HB       SER  16   5.011   4.292  -0.306
  135   2HB   SER  16          2HB       SER  16   3.804   3.012  -0.434
  136    HG   SER  16           HG       SER  16   5.369   2.980  -2.090
  137    HA   PRO  17           HA       PRO  17   3.354   8.599  -2.958
  138   1HB   PRO  17          1HB       PRO  17   5.600  10.003  -2.236
  139   2HB   PRO  17          2HB       PRO  17   4.064  10.030  -1.320
  140   1HG   PRO  17          1HG       PRO  17   6.537   8.372  -0.770
  141   2HG   PRO  17          2HG       PRO  17   5.557   9.323   0.387
  142   1HD   PRO  17          1HD       PRO  17   5.224   6.625   0.089
  143   2HD   PRO  17          2HD       PRO  17   3.847   7.713   0.427
  144    H    LYS  18           H        LYS  18   5.609   6.083  -2.815
  145    HA   LYS  18           HA       LYS  18   7.360   6.873  -5.044
  146   1HB   LYS  18          1HB       LYS  18   7.062   4.159  -3.662
  147   2HB   LYS  18          2HB       LYS  18   8.289   4.648  -4.818
  148   1HG   LYS  18          1HG       LYS  18   9.403   4.756  -2.875
  149   2HG   LYS  18          2HG       LYS  18   8.985   6.456  -3.103
  150   1HD   LYS  18          1HD       LYS  18   7.233   6.287  -1.404
  151   2HD   LYS  18          2HD       LYS  18   7.380   4.537  -1.341
  152   1HE   LYS  18          1HE       LYS  18   9.428   6.578  -0.372
  153   2HE   LYS  18          2HE       LYS  18   8.390   5.534   0.611
  154   1HZ   LYS  18          1HZ       LYS  18  10.353   4.328   0.559
  155   2HZ   LYS  18          2HZ       LYS  18   9.573   3.654  -0.692
  156   3HZ   LYS  18          3HZ       LYS  18  10.738   4.785  -0.983
  157    H    SER  19           H        SER  19   4.971   4.224  -4.529
  158    HA   SER  19           HA       SER  19   4.824   3.632  -7.388
  159   1HB   SER  19          1HB       SER  19   3.232   2.592  -5.007
  160   2HB   SER  19          2HB       SER  19   3.167   1.957  -6.658
  161    HG   SER  19           HG       SER  19   5.404   1.982  -4.895
  162    H    ARG  20           H        ARG  20   2.924   5.422  -5.019
  163    HA   ARG  20           HA       ARG  20   1.034   6.621  -5.038
  164   1HB   ARG  20          1HB       ARG  20   2.456   7.557  -7.147
  165   2HB   ARG  20          2HB       ARG  20   1.026   7.020  -8.004
  166   1HG   ARG  20          1HG       ARG  20   0.749   9.337  -7.495
  167   2HG   ARG  20          2HG       ARG  20  -0.375   8.460  -6.465
  168   1HD   ARG  20          1HD       ARG  20   0.701  10.264  -5.207
  169   2HD   ARG  20          2HD       ARG  20   1.175   8.713  -4.543
  170    HE   ARG  20           HE       ARG  20   3.393   9.035  -5.281
  171   1HH1  ARG  20          2HH2      ARG  20   1.510  11.689  -6.600
  172   2HH1  ARG  20          1HH2      ARG  20   2.956  12.571  -7.013
  173   1HH2  ARG  20          2HH1      ARG  20   5.097  10.177  -5.761
  174   2HH2  ARG  20          1HH1      ARG  20   4.958  11.731  -6.560
  175    H    THR  21           H        THR  21   0.971   3.643  -6.281
  176    HA   THR  21           HA       THR  21  -1.761   3.316  -7.170
  177    HB   THR  21           HB       THR  21  -1.144   0.916  -6.885
  178    HG1  THR  21           1HG      THR  21   0.253   1.095  -5.109
  179   1HG2  THR  21          1HG2      THR  21   1.202   2.368  -8.157
  180   2HG2  THR  21          2HG2      THR  21   0.579   0.756  -8.539
  181   3HG2  THR  21          3HG2      THR  21  -0.382   2.188  -8.960
  182    H    ILE  22           H        ILE  22  -3.130   1.583  -5.844
  183    HA   ILE  22           HA       ILE  22  -2.889   2.097  -2.912
  184    HB   ILE  22           HB       ILE  22  -5.462   1.672  -4.415
  185   1HG1  ILE  22          1HG1      ILE  22  -6.003   3.971  -3.285
  186   2HG1  ILE  22          2HG1      ILE  22  -4.263   4.185  -3.181
  187   1HG2  ILE  22          1HG2      ILE  22  -4.912   2.201  -1.465
  188   2HG2  ILE  22          2HG2      ILE  22  -6.516   2.022  -2.211
  189   3HG2  ILE  22          3HG2      ILE  22  -5.425   0.645  -2.152
  190   1HD1  ILE  22          1HD1      ILE  22  -5.815   3.693  -5.773
  191   2HD1  ILE  22          2HD1      ILE  22  -5.389   5.293  -5.143
  192   3HD1  ILE  22          3HD1      ILE  22  -4.110   4.189  -5.645
  193    H    PHE  23           H        PHE  23  -2.255   0.408  -1.976
  194    HA   PHE  23           HA       PHE  23  -2.976  -2.328  -2.906
  195   1HB   PHE  23          1HB       PHE  23  -0.752  -2.823  -1.442
  196   2HB   PHE  23          2HB       PHE  23  -0.838  -2.747  -3.198
  197    HD1  PHE  23           1HD      PHE  23   0.760  -1.538  -4.299
  198    HD2  PHE  23           2HD      PHE  23  -0.076  -0.726  -0.268
  199    HE1  PHE  23           1HE      PHE  23   2.508   0.227  -4.368
  200    HE2  PHE  23           2HE      PHE  23   1.548   1.270  -0.306
  201    HZ   PHE  23           HZ       PHE  23   2.855   1.684  -2.373
  202    H    GLU  24           H        GLU  24  -2.678  -3.932  -0.965
  203    HA   GLU  24           HA       GLU  24  -4.538  -2.889   1.041
  204   1HB   GLU  24          1HB       GLU  24  -4.596  -5.252   0.077
  205   2HB   GLU  24          2HB       GLU  24  -3.205  -5.575   1.133
  206   1HG   GLU  24          1HG       GLU  24  -4.502  -5.072   3.114
  207   2HG   GLU  24          2HG       GLU  24  -5.838  -4.446   2.145
  208    H    LYS  25           H        LYS  25  -3.939  -2.464   3.243
  209    HA   LYS  25           HA       LYS  25  -1.332  -1.683   4.040
  210   1HB   LYS  25          1HB       LYS  25  -3.412  -0.997   5.158
  211   2HB   LYS  25          2HB       LYS  25  -3.634  -2.651   5.763
  212   1HG   LYS  25          1HG       LYS  25  -1.575  -2.528   7.054
  213   2HG   LYS  25          2HG       LYS  25  -1.160  -0.961   6.331
  214   1HD   LYS  25          1HD       LYS  25  -3.077   0.096   7.411
  215   2HD   LYS  25          2HD       LYS  25  -3.618  -1.468   8.066
  216   1HE   LYS  25          1HE       LYS  25  -1.582  -1.677   9.400
  217   2HE   LYS  25          2HE       LYS  25  -0.897  -0.225   8.652
  218   1HZ   LYS  25          1HZ       LYS  25  -1.864   0.260  10.834
  219   2HZ   LYS  25          2HZ       LYS  25  -2.621   1.094   9.647
  220   3HZ   LYS  25          3HZ       LYS  25  -3.347  -0.215  10.330
  221    H    SER  26           H        SER  26  -3.122  -4.714   4.448
  222    HA   SER  26           HA       SER  26  -1.083  -6.035   5.879
  223   1HB   SER  26          1HB       SER  26  -3.315  -7.282   4.251
  224   2HB   SER  26          2HB       SER  26  -2.384  -8.090   5.524
  225    HG   SER  26           HG       SER  26  -3.175  -6.572   7.016
  226    H    LEU  27           H        LEU  27  -1.734  -6.104   2.306
  227    HA   LEU  27           HA       LEU  27   0.258  -8.142   1.812
  228   1HB   LEU  27          1HB       LEU  27  -1.003  -6.163  -0.130
  229   2HB   LEU  27          2HB       LEU  27  -0.039  -7.571  -0.512
  230    HG   LEU  27           HG       LEU  27  -2.917  -7.393   0.117
  231   1HD1  LEU  27          1HD1      LEU  27  -1.252  -9.341  -1.443
  232   2HD1  LEU  27          2HD1      LEU  27  -3.029  -9.188  -1.468
  233   3HD1  LEU  27          3HD1      LEU  27  -2.014  -7.871  -2.083
  234   1HD2  LEU  27          1HD2      LEU  27  -1.299  -9.829   1.003
  235   2HD2  LEU  27          2HD2      LEU  27  -2.314  -8.798   2.048
  236   3HD2  LEU  27          3HD2      LEU  27  -3.065  -9.783   0.806
  237    H    LEU  28           H        LEU  28   0.231  -4.575   1.701
  238    HA   LEU  28           HA       LEU  28   2.893  -4.281   0.604
  239   1HB   LEU  28          1HB       LEU  28   1.292  -2.406   0.684
  240   2HB   LEU  28          2HB       LEU  28   1.379  -2.417   2.447
  241    HG   LEU  28           HG       LEU  28   3.952  -2.054   2.174
  242   1HD1  LEU  28          1HD1      LEU  28   4.602  -0.902   0.062
  243   2HD1  LEU  28          2HD1      LEU  28   4.247  -2.610  -0.166
  244   3HD1  LEU  28          3HD1      LEU  28   3.060  -1.376  -0.653
  245   1HD2  LEU  28          1HD2      LEU  28   3.610   0.380   1.841
  246   2HD2  LEU  28          2HD2      LEU  28   1.922   0.027   1.418
  247   3HD2  LEU  28          3HD2      LEU  28   2.531  -0.384   3.023
  248    H    GLU  29           H        GLU  29   1.551  -4.422   3.954
  249    HA   GLU  29           HA       GLU  29   4.010  -4.063   5.362
  250   1HB   GLU  29          1HB       GLU  29   1.722  -4.024   6.407
  251   2HB   GLU  29          2HB       GLU  29   1.670  -5.788   6.252
  252   1HG   GLU  29          1HG       GLU  29   3.973  -5.627   7.603
  253   2HG   GLU  29          2HG       GLU  29   3.371  -4.037   8.041
  254    H    GLN  30           H        GLN  30   2.491  -7.039   4.111
  255    HA   GLN  30           HA       GLN  30   4.408  -8.919   5.076
  256   1HB   GLN  30          1HB       GLN  30   2.155  -9.373   4.011
  257   2HB   GLN  30          2HB       GLN  30   2.888  -9.078   2.441
  258   1HG   GLN  30          1HG       GLN  30   4.505 -10.929   2.843
  259   2HG   GLN  30          2HG       GLN  30   3.768 -11.218   4.425
  260   1HE2  GLN  30          1HE2      GLN  30   3.162 -11.362   0.877
  261   2HE2  GLN  30          2HE2      GLN  30   1.824 -12.495   1.037
  262    H    TYR  31           H        TYR  31   4.309  -7.118   2.024
  263    HA   TYR  31           HA       TYR  31   6.653  -8.335   0.833
  264   1HB   TYR  31          1HB       TYR  31   4.751  -7.327  -0.391
  265   2HB   TYR  31          2HB       TYR  31   5.177  -5.743   0.232
  266    HD1  TYR  31           1HD      TYR  31   6.827  -8.592  -1.568
  267    HD2  TYR  31           2HD      TYR  31   6.363  -4.332  -1.227
  268    HE1  TYR  31           1HE      TYR  31   8.128  -8.247  -3.720
  269    HE2  TYR  31           2HE      TYR  31   7.809  -4.035  -3.225
  270    HH   TYR  31           HH       TYR  31   9.077  -6.760  -5.130
  271    H    VAL  32           H        VAL  32   6.073  -5.421   2.679
  272    HA   VAL  32           HA       VAL  32   8.812  -4.534   2.377
  273    HB   VAL  32           HB       VAL  32   6.339  -3.273   3.485
  274   1HG1  VAL  32          1HG1      VAL  32   8.957  -1.814   3.469
  275   2HG1  VAL  32          2HG1      VAL  32   7.342  -1.174   3.787
  276   3HG1  VAL  32          3HG1      VAL  32   8.051  -2.318   4.912
  277   1HG2  VAL  32          1HG2      VAL  32   6.792  -3.563   0.986
  278   2HG2  VAL  32          2HG2      VAL  32   6.276  -2.015   1.589
  279   3HG2  VAL  32          3HG2      VAL  32   7.984  -2.284   1.208
  280    H    LYS  33           H        LYS  33   7.297  -6.530   4.602
  281    HA   LYS  33           HA       LYS  33   9.565  -6.197   6.550
  282   1HB   LYS  33          1HB       LYS  33   8.429  -7.298   8.198
  283   2HB   LYS  33          2HB       LYS  33   7.235  -6.243   7.456
  284   1HG   LYS  33          1HG       LYS  33   6.411  -8.315   6.170
  285   2HG   LYS  33          2HG       LYS  33   7.484  -9.277   7.191
  286   1HD   LYS  33          1HD       LYS  33   6.343  -8.451   9.217
  287   2HD   LYS  33          2HD       LYS  33   5.324  -7.385   8.232
  288   1HE   LYS  33          1HE       LYS  33   4.386  -9.399   7.075
  289   2HE   LYS  33          2HE       LYS  33   5.332 -10.429   8.162
  290   1HZ   LYS  33          1HZ       LYS  33   3.058 -10.101   8.981
  291   2HZ   LYS  33          2HZ       LYS  33   4.112  -9.431  10.032
  292   3HZ   LYS  33          3HZ       LYS  33   3.244  -8.478   9.025
  293    H    ASP  34           H        ASP  34   8.646  -7.953   3.882
  294    HA   ASP  34           HA       ASP  34  10.394 -10.282   4.196
  295   1HB   ASP  34          1HB       ASP  34   8.486  -9.229   2.239
  296   2HB   ASP  34          2HB       ASP  34   9.955  -9.609   1.424
  297    H    THR  35           H        THR  35  10.506  -7.418   2.066
  298    HA   THR  35           HA       THR  35  13.504  -7.323   2.265
  299    HB   THR  35           HB       THR  35  13.733  -6.837  -0.035
  300    HG1  THR  35           1HG      THR  35  10.942  -7.218  -0.331
  301   1HG2  THR  35          1HG2      THR  35  11.913  -9.260   0.134
  302   2HG2  THR  35          2HG2      THR  35  13.093  -8.887  -1.136
  303   3HG2  THR  35          3HG2      THR  35  13.648  -9.248   0.509
  304    H    GLY  36           H        GLY  36  10.525  -5.481   2.357
  305   1HA   GLY  36          1HA       GLY  36  10.397  -3.332   3.215
  306   2HA   GLY  36          2HA       GLY  36  12.105  -3.070   2.970
  307    H    ASN  37           H        ASN  37  11.564  -4.210   0.094
  308    HA   ASN  37           HA       ASN  37  11.664  -1.615  -1.066
  309   1HB   ASN  37          1HB       ASN  37  11.234  -4.356  -2.334
  310   2HB   ASN  37          2HB       ASN  37  11.667  -2.901  -3.219
  311   1HD2  ASN  37          2HD2      ASN  37  12.976  -5.617  -1.796
  312   2HD2  ASN  37          1HD2      ASN  37  14.626  -5.003  -1.645
  313    H    ASP  38           H        ASP  38  10.234  -0.366  -2.319
  314    HA   ASP  38           HA       ASP  38   7.398  -0.756  -2.111
  315   1HB   ASP  38          1HB       ASP  38   9.180   1.091  -3.704
  316   2HB   ASP  38          2HB       ASP  38   7.447   1.016  -4.035
  317    HA   PRO  39           HA       PRO  39   6.761  -3.921  -5.111
  318   1HB   PRO  39          1HB       PRO  39   4.277  -2.439  -5.960
  319   2HB   PRO  39          2HB       PRO  39   4.468  -4.157  -5.484
  320   1HG   PRO  39          1HG       PRO  39   3.417  -2.373  -3.756
  321   2HG   PRO  39          2HG       PRO  39   4.637  -3.560  -3.179
  322   1HD   PRO  39          1HD       PRO  39   5.040  -0.657  -3.888
  323   2HD   PRO  39          2HD       PRO  39   5.635  -1.601  -2.489
  324    H    ILE  40           H        ILE  40   7.162  -0.748  -6.394
  325    HA   ILE  40           HA       ILE  40   7.143  -1.744  -9.241
  326    HB   ILE  40           HB       ILE  40   5.748   0.666  -8.073
  327   1HG1  ILE  40          1HG1      ILE  40   4.629  -1.238 -10.154
  328   2HG1  ILE  40          2HG1      ILE  40   4.700  -1.772  -8.481
  329   1HG2  ILE  40          1HG2      ILE  40   6.931   1.584  -9.999
  330   2HG2  ILE  40          2HG2      ILE  40   6.423   0.213 -11.012
  331   3HG2  ILE  40          3HG2      ILE  40   5.234   1.390 -10.420
  332   1HD1  ILE  40          1HD1      ILE  40   3.299   0.786  -9.327
  333   2HD1  ILE  40          2HD1      ILE  40   2.519  -0.785  -9.044
  334   3HD1  ILE  40          3HD1      ILE  40   3.344   0.036  -7.709
  335    H    THR  41           H        THR  41   8.407   0.765  -6.984
  336    HA   THR  41           HA       THR  41  10.494   1.535  -8.926
  337    HB   THR  41           HB       THR  41  11.214   3.009  -6.920
  338    HG1  THR  41           1HG      THR  41   8.506   2.570  -6.370
  339   1HG2  THR  41          1HG2      THR  41  10.177   3.923  -8.960
  340   2HG2  THR  41          2HG2      THR  41   8.560   3.491  -8.359
  341   3HG2  THR  41          3HG2      THR  41   9.532   4.716  -7.513
  342    H    ASN  42           H        ASN  42  10.003  -0.754  -6.384
  343    HA   ASN  42           HA       ASN  42  11.167  -1.730  -4.858
  344   1HB   ASN  42          1HB       ASN  42  12.692  -3.302  -5.664
  345   2HB   ASN  42          2HB       ASN  42  11.427  -3.091  -6.849
  346   1HD2  ASN  42          2HD2      ASN  42  14.743  -1.869  -6.161
  347   2HD2  ASN  42          1HD2      ASN  42  15.244  -1.886  -7.858
  348    H    GLU  43           H        GLU  43  11.602   0.958  -4.694
  349    HA   GLU  43           HA       GLU  43  14.422   1.111  -3.654
  350   1HB   GLU  43          1HB       GLU  43  13.988   3.358  -2.939
  351   2HB   GLU  43          2HB       GLU  43  13.661   3.153  -4.655
  352   1HG   GLU  43          1HG       GLU  43  11.294   3.298  -4.315
  353   2HG   GLU  43          2HG       GLU  43  11.453   3.102  -2.568
  354    HA   PRO  44           HA       PRO  44  13.357  -0.734   0.084
  355   1HB   PRO  44          1HB       PRO  44  15.237   0.136   1.881
  356   2HB   PRO  44          2HB       PRO  44  15.591  -0.928   0.487
  357   1HG   PRO  44          1HG       PRO  44  15.897   2.088   0.646
  358   2HG   PRO  44          2HG       PRO  44  17.095   0.886   0.069
  359   1HD   PRO  44          1HD       PRO  44  15.522   2.238  -1.666
  360   2HD   PRO  44          2HD       PRO  44  15.890   0.509  -1.935
  361    H    LEU  45           H        LEU  45  12.000  -0.631   1.652
  362    HA   LEU  45           HA       LEU  45  10.694  -0.150   3.349
  363   1HB   LEU  45          1HB       LEU  45  12.460   2.248   3.818
  364   2HB   LEU  45          2HB       LEU  45  11.078   1.862   4.831
  365    HG   LEU  45           HG       LEU  45  13.298  -0.166   4.332
  366   1HD1  LEU  45          1HD1      LEU  45  13.039   1.826   6.623
  367   2HD1  LEU  45          2HD1      LEU  45  14.238   0.519   6.499
  368   3HD1  LEU  45          3HD1      LEU  45  14.275   1.861   5.348
  369   1HD2  LEU  45          1HD2      LEU  45  11.186   0.099   6.520
  370   2HD2  LEU  45          2HD2      LEU  45  11.211  -1.122   5.227
  371   3HD2  LEU  45          3HD2      LEU  45  12.470  -1.128   6.461
  372    H    SER  46           H        SER  46   8.725   0.509   3.607
  373    HA   SER  46           HA       SER  46   7.593   2.523   1.751
  374   1HB   SER  46          1HB       SER  46   7.424   0.109   0.928
  375   2HB   SER  46          2HB       SER  46   6.151  -0.017   2.146
  376    HG   SER  46           HG       SER  46   6.220   1.563  -0.186
  377    H    ILE  47           H        ILE  47   6.617   0.278   4.280
  378    HA   ILE  47           HA       ILE  47   4.603   1.745   5.382
  379    HB   ILE  47           HB       ILE  47   5.193  -0.699   5.743
  380   1HG1  ILE  47          1HG1      ILE  47   4.353  -0.855   8.113
  381   2HG1  ILE  47          2HG1      ILE  47   4.365   0.907   8.188
  382   1HG2  ILE  47          1HG2      ILE  47   7.564  -0.334   6.459
  383   2HG2  ILE  47          2HG2      ILE  47   6.965   0.310   8.003
  384   3HG2  ILE  47          3HG2      ILE  47   6.636  -1.370   7.548
  385   1HD1  ILE  47          1HD1      ILE  47   2.125  -0.013   7.621
  386   2HD1  ILE  47          2HD1      ILE  47   2.751   0.978   6.292
  387   3HD1  ILE  47          3HD1      ILE  47   2.804  -0.792   6.172
  388    H    GLU  48           H        GLU  48   7.936   2.214   6.011
  389    HA   GLU  48           HA       GLU  48   7.675   4.064   8.244
  390   1HB   GLU  48          1HB       GLU  48   9.921   3.564   6.253
  391   2HB   GLU  48          2HB       GLU  48  10.050   4.638   7.646
  392   1HG   GLU  48          1HG       GLU  48   9.524   1.635   7.790
  393   2HG   GLU  48          2HG       GLU  48  11.075   2.418   8.033
  394    H    GLU  49           H        GLU  49   6.801   4.233   5.022
  395    HA   GLU  49           HA       GLU  49   6.820   7.237   4.987
  396   1HB   GLU  49          1HB       GLU  49   7.394   5.367   2.650
  397   2HB   GLU  49          2HB       GLU  49   7.240   7.110   2.524
  398   1HG   GLU  49          1HG       GLU  49   9.410   5.600   4.038
  399   2HG   GLU  49          2HG       GLU  49   9.577   6.387   2.479
  400    H    ILE  50           H        ILE  50   4.880   4.829   5.451
  401    HA   ILE  50           HA       ILE  50   3.043   4.659   3.460
  402    HB   ILE  50           HB       ILE  50   3.378   3.266   5.519
  403   1HG1  ILE  50          1HG1      ILE  50   1.027   2.457   5.683
  404   2HG1  ILE  50          2HG1      ILE  50   0.520   3.793   4.657
  405   1HG2  ILE  50          1HG2      ILE  50   2.085   3.620   7.519
  406   2HG2  ILE  50          2HG2      ILE  50   3.083   5.049   7.228
  407   3HG2  ILE  50          3HG2      ILE  50   1.348   5.089   6.850
  408   1HD1  ILE  50          1HD1      ILE  50   0.984   1.578   3.476
  409   2HD1  ILE  50          2HD1      ILE  50   1.880   2.947   2.806
  410   3HD1  ILE  50          3HD1      ILE  50   2.691   1.791   3.880
  411    H    VAL  51           H        VAL  51   1.187   5.347   2.910
  412    HA   VAL  51           HA       VAL  51  -0.169   7.692   4.212
  413    HB   VAL  51           HB       VAL  51  -0.166   7.108   1.231
  414   1HG1  VAL  51          1HG1      VAL  51  -1.271   9.452   2.842
  415   2HG1  VAL  51          2HG1      VAL  51  -1.275   9.311   1.071
  416   3HG1  VAL  51          3HG1      VAL  51  -2.239   8.195   2.037
  417   1HG2  VAL  51          1HG2      VAL  51   1.270   9.304   2.779
  418   2HG2  VAL  51          2HG2      VAL  51   2.041   7.976   1.888
  419   3HG2  VAL  51          3HG2      VAL  51   1.131   9.204   1.006
  420    H    GLU  52           H        GLU  52  -1.524   6.416   5.478
  421    HA   GLU  52           HA       GLU  52  -2.897   4.116   4.324
  422   1HB   GLU  52          1HB       GLU  52  -3.541   5.339   7.009
  423   2HB   GLU  52          2HB       GLU  52  -3.838   3.688   6.419
  424   1HG   GLU  52          1HG       GLU  52  -1.464   3.184   6.457
  425   2HG   GLU  52          2HG       GLU  52  -1.068   4.844   6.912
  426    H    ILE  53           H        ILE  53  -4.552   4.245   3.000
  427    HA   ILE  53           HA       ILE  53  -6.230   6.646   2.805
  428    HB   ILE  53           HB       ILE  53  -6.273   4.058   1.223
  429   1HG1  ILE  53          1HG1      ILE  53  -4.078   5.016   0.935
  430   2HG1  ILE  53          2HG1      ILE  53  -5.012   5.190  -0.529
  431   1HG2  ILE  53          1HG2      ILE  53  -7.336   5.451  -0.574
  432   2HG2  ILE  53          2HG2      ILE  53  -8.351   5.178   0.840
  433   3HG2  ILE  53          3HG2      ILE  53  -7.548   6.745   0.626
  434   1HD1  ILE  53          1HD1      ILE  53  -5.422   7.586  -0.009
  435   2HD1  ILE  53          2HD1      ILE  53  -4.487   7.417   1.495
  436   3HD1  ILE  53          3HD1      ILE  53  -3.694   7.211  -0.074
  437    H    VAL  54           H        VAL  54  -6.411   3.635   4.396
  438    HA   VAL  54           HA       VAL  54  -8.919   2.760   4.638
  439    HB   VAL  54           HB       VAL  54  -7.208   3.244   7.098
  440   1HG1  VAL  54          1HG1      VAL  54  -8.323   1.173   7.906
  441   2HG1  VAL  54          2HG1      VAL  54  -9.494   2.456   7.635
  442   3HG1  VAL  54          3HG1      VAL  54  -9.332   1.140   6.446
  443   1HG2  VAL  54          1HG2      VAL  54  -7.150   0.991   5.056
  444   2HG2  VAL  54          2HG2      VAL  54  -5.824   2.104   5.462
  445   3HG2  VAL  54          3HG2      VAL  54  -6.363   0.924   6.649
  446    HA   PRO  55           HA       PRO  55 -11.049   6.574   5.725
  447   1HB   PRO  55          1HB       PRO  55 -13.638   5.849   5.248
  448   2HB   PRO  55          2HB       PRO  55 -12.434   6.096   3.947
  449   1HG   PRO  55          1HG       PRO  55 -13.253   3.474   5.240
  450   2HG   PRO  55          2HG       PRO  55 -13.165   3.860   3.489
  451   1HD   PRO  55          1HD       PRO  55 -11.131   2.599   4.777
  452   2HD   PRO  55          2HD       PRO  55 -10.806   3.815   3.503
  453    H    SER  56           H        SER  56 -11.462   3.608   7.447
  454    HA   SER  56           HA       SER  56 -13.366   4.324   9.450
  455   1HB   SER  56          1HB       SER  56 -12.584   2.014   8.993
  456   2HB   SER  56          2HB       SER  56 -10.995   2.423   9.669
  457    HG   SER  56           HG       SER  56 -12.414   1.420  11.203
  Start of MODEL   17
    1    H    MET   1           H        MET   1  -6.560   2.173  -8.770
    2    HA   MET   1           HA       MET   1  -6.851   1.785  -6.480
    3   1HB   MET   1          1HB       MET   1  -9.528   0.905  -7.626
    4   2HB   MET   1          2HB       MET   1  -9.238   1.340  -5.936
    5   1HG   MET   1          1HG       MET   1  -8.462   3.596  -6.678
    6   2HG   MET   1          2HG       MET   1  -8.940   3.195  -8.326
    7   1HE   MET   1          1HE       MET   1 -11.388   2.946  -9.175
    8   2HE   MET   1          2HE       MET   1 -11.733   1.642  -8.013
    9   3HE   MET   1          3HE       MET   1 -12.833   3.029  -8.146
   10    H    LEU   2           H        LEU   2  -6.490  -0.882  -8.342
   11    HA   LEU   2           HA       LEU   2  -6.817  -2.831  -6.100
   12   1HB   LEU   2          1HB       LEU   2  -6.910  -4.582  -7.612
   13   2HB   LEU   2          2HB       LEU   2  -7.932  -3.343  -8.318
   14    HG   LEU   2           HG       LEU   2  -5.089  -4.059  -9.200
   15   1HD1  LEU   2          1HD1      LEU   2  -6.787  -5.781  -9.713
   16   2HD1  LEU   2          2HD1      LEU   2  -7.785  -4.560 -10.527
   17   3HD1  LEU   2          3HD1      LEU   2  -6.189  -4.996 -11.182
   18   1HD2  LEU   2          1HD2      LEU   2  -5.629  -2.687 -11.231
   19   2HD2  LEU   2          2HD2      LEU   2  -7.093  -2.101 -10.414
   20   3HD2  LEU   2          3HD2      LEU   2  -5.471  -1.718  -9.770
   21    H    CYS   3           H        CYS   3  -5.231  -4.165  -5.355
   22    HA   CYS   3           HA       CYS   3  -2.942  -2.808  -4.926
   23   1HB   CYS   3          1HB       CYS   3  -3.247  -5.795  -4.405
   24   2HB   CYS   3          2HB       CYS   3  -2.456  -4.617  -3.448
   25    HG   CYS   3           HG       CYS   3  -4.689  -5.923  -2.652
   26    H    ALA   4           H        ALA   4  -0.856  -2.826  -5.356
   27    HA   ALA   4           HA       ALA   4  -0.053  -3.876  -7.983
   28   1HB   ALA   4          1HB       ALA   4   1.857  -2.734  -5.943
   29   2HB   ALA   4          2HB       ALA   4   2.002  -2.786  -7.695
   30   3HB   ALA   4          3HB       ALA   4   0.800  -1.707  -6.962
   31    H    ILE   5           H        ILE   5  -0.140  -5.186  -4.833
   32    HA   ILE   5           HA       ILE   5   2.116  -7.052  -5.252
   33    HB   ILE   5           HB       ILE   5   0.543  -6.173  -2.803
   34   1HG1  ILE   5          1HG1      ILE   5   3.492  -5.878  -3.536
   35   2HG1  ILE   5          2HG1      ILE   5   2.283  -4.641  -3.881
   36   1HG2  ILE   5          1HG2      ILE   5   2.819  -8.240  -3.129
   37   2HG2  ILE   5          2HG2      ILE   5   2.268  -7.622  -1.566
   38   3HG2  ILE   5          3HG2      ILE   5   1.175  -8.591  -2.561
   39   1HD1  ILE   5          1HD1      ILE   5   1.762  -4.450  -1.465
   40   2HD1  ILE   5          2HD1      ILE   5   3.091  -5.586  -1.121
   41   3HD1  ILE   5          3HD1      ILE   5   3.437  -4.028  -1.879
   42    H    SER   6           H        SER   6  -1.328  -7.331  -4.211
   43    HA   SER   6           HA       SER   6  -1.328 -10.065  -5.415
   44   1HB   SER   6          1HB       SER   6  -2.999  -9.294  -3.041
   45   2HB   SER   6          2HB       SER   6  -2.945 -10.858  -3.858
   46    HG   SER   6           HG       SER   6  -1.566 -10.972  -2.119
   47    H    GLY   7           H        GLY   7  -2.860  -7.037  -5.628
   48   1HA   GLY   7          1HA       GLY   7  -4.152  -6.334  -7.488
   49   2HA   GLY   7          2HA       GLY   7  -4.107  -8.018  -7.999
   50    H    LYS   8           H        LYS   8  -5.126  -7.567  -4.899
   51    HA   LYS   8           HA       LYS   8  -7.804  -8.646  -5.506
   52   1HB   LYS   8          1HB       LYS   8  -7.668  -9.566  -3.353
   53   2HB   LYS   8          2HB       LYS   8  -5.985  -9.558  -3.961
   54   1HG   LYS   8          1HG       LYS   8  -5.428  -7.620  -2.654
   55   2HG   LYS   8          2HG       LYS   8  -7.073  -7.452  -2.047
   56   1HD   LYS   8          1HD       LYS   8  -5.275  -9.871  -1.582
   57   2HD   LYS   8          2HD       LYS   8  -5.468  -8.540  -0.451
   58   1HE   LYS   8          1HE       LYS   8  -7.728 -10.382  -1.361
   59   2HE   LYS   8          2HE       LYS   8  -6.813 -10.538   0.140
   60   1HZ   LYS   8          1HZ       LYS   8  -7.573  -8.245   0.702
   61   2HZ   LYS   8          2HZ       LYS   8  -8.576  -8.251  -0.565
   62   3HZ   LYS   8          3HZ       LYS   8  -8.807  -9.343   0.633
   63    H    VAL   9           H        VAL   9  -9.581  -8.098  -3.897
   64    HA   VAL   9           HA       VAL   9 -10.184  -5.227  -3.925
   65    HB   VAL   9           HB       VAL   9 -11.993  -6.728  -4.280
   66   1HG1  VAL   9          1HG1      VAL   9 -11.734  -7.815  -1.450
   67   2HG1  VAL   9          2HG1      VAL   9 -12.968  -8.209  -2.653
   68   3HG1  VAL   9          3HG1      VAL   9 -11.296  -8.709  -2.925
   69   1HG2  VAL   9          1HG2      VAL   9 -13.607  -5.806  -2.727
   70   2HG2  VAL   9          2HG2      VAL   9 -12.324  -5.366  -1.580
   71   3HG2  VAL   9          3HG2      VAL   9 -12.422  -4.568  -3.168
   72    HA   PRO  10           HA       PRO  10  -7.576  -5.036  -0.354
   73   1HB   PRO  10          1HB       PRO  10  -7.458  -2.347   0.139
   74   2HB   PRO  10          2HB       PRO  10  -6.693  -3.120  -1.279
   75   1HG   PRO  10          1HG       PRO  10  -9.394  -1.738  -1.158
   76   2HG   PRO  10          2HG       PRO  10  -8.075  -1.508  -2.354
   77   1HD   PRO  10          1HD       PRO  10 -10.196  -3.162  -2.833
   78   2HD   PRO  10          2HD       PRO  10  -8.551  -3.551  -3.415
   79    H    ARG  11           H        ARG  11  -8.014  -5.653   1.609
   80    HA   ARG  11           HA       ARG  11 -10.355  -5.177   3.214
   81   1HB   ARG  11          1HB       ARG  11  -7.492  -5.907   3.986
   82   2HB   ARG  11          2HB       ARG  11  -8.843  -5.887   5.121
   83   1HG   ARG  11          1HG       ARG  11  -9.995  -7.656   3.942
   84   2HG   ARG  11          2HG       ARG  11  -8.810  -7.634   2.628
   85   1HD   ARG  11          1HD       ARG  11  -7.016  -8.239   4.276
   86   2HD   ARG  11          2HD       ARG  11  -8.243  -8.331   5.536
   87    HE   ARG  11           HE       ARG  11  -9.219 -10.254   4.470
   88   1HH1  ARG  11          2HH1      ARG  11  -6.116  -9.444   2.919
   89   2HH1  ARG  11          1HH1      ARG  11  -5.880 -11.114   2.491
   90   1HH2  ARG  11          2HH2      ARG  11  -8.846 -12.275   3.746
   91   2HH2  ARG  11          1HH2      ARG  11  -7.395 -12.636   2.857
   92    H    ARG  12           H        ARG  12  -7.170  -3.651   3.351
   93    HA   ARG  12           HA       ARG  12  -8.423  -1.062   4.208
   94   1HB   ARG  12          1HB       ARG  12  -5.960  -2.276   5.475
   95   2HB   ARG  12          2HB       ARG  12  -6.427  -0.574   5.605
   96   1HG   ARG  12          1HG       ARG  12  -8.651  -1.355   6.571
   97   2HG   ARG  12          2HG       ARG  12  -7.976  -2.991   6.603
   98   1HD   ARG  12          1HD       ARG  12  -7.686  -2.092   8.788
   99   2HD   ARG  12          2HD       ARG  12  -6.095  -2.119   8.045
  100    HE   ARG  12           HE       ARG  12  -7.847   0.310   8.382
  101   1HH1  ARG  12          2HH2      ARG  12  -4.569  -0.900   8.207
  102   2HH1  ARG  12          1HH2      ARG  12  -3.884   0.703   8.437
  103   1HH2  ARG  12          2HH1      ARG  12  -6.914   2.266   8.763
  104   2HH2  ARG  12          1HH1      ARG  12  -5.167   2.396   8.803
  105    HA   PRO  13           HA       PRO  13  -6.013  -0.288   0.409
  106   1HB   PRO  13          1HB       PRO  13  -7.167   2.195  -0.145
  107   2HB   PRO  13          2HB       PRO  13  -7.758   0.603  -0.703
  108   1HG   PRO  13          1HG       PRO  13  -8.642   2.158   1.752
  109   2HG   PRO  13          2HG       PRO  13  -9.664   1.373   0.499
  110   1HD   PRO  13          1HD       PRO  13  -9.247   0.060   2.752
  111   2HD   PRO  13          2HD       PRO  13  -8.946  -0.807   1.197
  112    H    VAL  14           H        VAL  14  -4.227   0.486   0.345
  113    HA   VAL  14           HA       VAL  14  -3.115   2.703   2.047
  114    HB   VAL  14           HB       VAL  14  -2.501  -0.253   1.970
  115   1HG1  VAL  14          1HG1      VAL  14  -0.326   0.604   1.351
  116   2HG1  VAL  14          2HG1      VAL  14  -0.384   1.789   2.670
  117   3HG1  VAL  14          3HG1      VAL  14  -0.329   0.033   3.011
  118   1HG2  VAL  14          1HG2      VAL  14  -2.467   1.863   4.154
  119   2HG2  VAL  14          2HG2      VAL  14  -3.785   0.711   3.839
  120   3HG2  VAL  14          3HG2      VAL  14  -2.208   0.144   4.398
  121    H    LEU  15           H        LEU  15  -1.341   3.793   1.239
  122    HA   LEU  15           HA       LEU  15  -0.445   3.210  -1.550
  123   1HB   LEU  15          1HB       LEU  15  -2.255   4.778  -1.598
  124   2HB   LEU  15          2HB       LEU  15  -1.567   5.769  -0.330
  125    HG   LEU  15           HG       LEU  15   0.030   5.451  -2.869
  126   1HD1  LEU  15          1HD1      LEU  15  -2.425   7.242  -2.583
  127   2HD1  LEU  15          2HD1      LEU  15  -1.241   7.306  -3.908
  128   3HD1  LEU  15          3HD1      LEU  15  -2.246   5.870  -3.696
  129   1HD2  LEU  15          1HD2      LEU  15   0.859   6.867  -0.926
  130   2HD2  LEU  15          2HD2      LEU  15   0.632   7.772  -2.422
  131   3HD2  LEU  15          3HD2      LEU  15  -0.572   7.885  -1.123
  132    H    SER  16           H        SER  16   1.616   4.244  -2.073
  133    HA   SER  16           HA       SER  16   3.196   5.277   0.213
  134   1HB   SER  16          1HB       SER  16   5.023   3.960  -0.117
  135   2HB   SER  16          2HB       SER  16   3.741   2.810  -0.456
  136    HG   SER  16           HG       SER  16   5.455   2.809  -1.989
  137    HA   PRO  17           HA       PRO  17   3.945   8.608  -2.511
  138   1HB   PRO  17          1HB       PRO  17   6.285   9.697  -1.617
  139   2HB   PRO  17          2HB       PRO  17   4.771   9.710  -0.667
  140   1HG   PRO  17          1HG       PRO  17   7.069   7.732  -0.472
  141   2HG   PRO  17          2HG       PRO  17   6.273   8.645   0.854
  142   1HD   PRO  17          1HD       PRO  17   5.564   6.087   0.266
  143   2HD   PRO  17          2HD       PRO  17   4.331   7.300   0.735
  144    H    LYS  18           H        LYS  18   5.792   5.850  -2.767
  145    HA   LYS  18           HA       LYS  18   7.622   6.739  -4.957
  146   1HB   LYS  18          1HB       LYS  18   7.152   4.121  -3.478
  147   2HB   LYS  18          2HB       LYS  18   7.958   4.152  -5.042
  148   1HG   LYS  18          1HG       LYS  18   9.603   4.102  -3.383
  149   2HG   LYS  18          2HG       LYS  18   9.696   5.661  -4.190
  150   1HD   LYS  18          1HD       LYS  18   8.835   6.817  -2.305
  151   2HD   LYS  18          2HD       LYS  18   8.224   5.340  -1.532
  152   1HE   LYS  18          1HE       LYS  18  11.179   5.587  -2.143
  153   2HE   LYS  18          2HE       LYS  18  10.520   6.456  -0.745
  154   1HZ   LYS  18          1HZ       LYS  18  10.006   4.566   0.326
  155   2HZ   LYS  18          2HZ       LYS  18   9.865   3.606  -1.001
  156   3HZ   LYS  18          3HZ       LYS  18  11.342   4.045  -0.411
  157    H    SER  19           H        SER  19   5.291   4.034  -4.713
  158    HA   SER  19           HA       SER  19   4.968   3.872  -7.534
  159   1HB   SER  19          1HB       SER  19   3.357   2.622  -5.274
  160   2HB   SER  19          2HB       SER  19   3.392   2.089  -6.966
  161    HG   SER  19           HG       SER  19   4.833   0.923  -5.535
  162    H    ARG  20           H        ARG  20   3.095   5.495  -5.045
  163    HA   ARG  20           HA       ARG  20   1.094   6.577  -4.937
  164   1HB   ARG  20          1HB       ARG  20   1.452   7.154  -7.898
  165   2HB   ARG  20          2HB       ARG  20   0.439   8.042  -6.769
  166   1HG   ARG  20          1HG       ARG  20   3.483   7.900  -6.660
  167   2HG   ARG  20          2HG       ARG  20   2.527   9.230  -7.309
  168   1HD   ARG  20          1HD       ARG  20   1.515   9.630  -5.091
  169   2HD   ARG  20          2HD       ARG  20   2.439   8.281  -4.418
  170    HE   ARG  20           HE       ARG  20   4.520   9.483  -4.883
  171   1HH1  ARG  20          2HH2      ARG  20   1.708  11.585  -4.926
  172   2HH1  ARG  20          1HH2      ARG  20   2.679  12.986  -4.555
  173   1HH2  ARG  20          2HH1      ARG  20   5.645  11.245  -4.435
  174   2HH2  ARG  20          1HH1      ARG  20   4.857  12.799  -4.302
  175    H    THR  21           H        THR  21   1.167   3.676  -6.285
  176    HA   THR  21           HA       THR  21  -1.522   3.276  -7.277
  177    HB   THR  21           HB       THR  21  -0.845   0.875  -6.906
  178    HG1  THR  21           1HG      THR  21   0.583   1.131  -5.178
  179   1HG2  THR  21          1HG2      THR  21  -0.225   2.104  -9.032
  180   2HG2  THR  21          2HG2      THR  21   1.371   2.424  -8.298
  181   3HG2  THR  21          3HG2      THR  21   0.849   0.759  -8.602
  182    H    ILE  22           H        ILE  22  -2.936   1.562  -6.009
  183    HA   ILE  22           HA       ILE  22  -2.755   2.036  -3.068
  184    HB   ILE  22           HB       ILE  22  -5.288   1.787  -4.669
  185   1HG1  ILE  22          1HG1      ILE  22  -4.186   4.188  -3.120
  186   2HG1  ILE  22          2HG1      ILE  22  -4.196   4.046  -4.878
  187   1HG2  ILE  22          1HG2      ILE  22  -4.862   2.224  -1.679
  188   2HG2  ILE  22          2HG2      ILE  22  -6.430   2.110  -2.511
  189   3HG2  ILE  22          3HG2      ILE  22  -5.397   0.699  -2.420
  190   1HD1  ILE  22          1HD1      ILE  22  -6.641   4.275  -3.095
  191   2HD1  ILE  22          2HD1      ILE  22  -6.020   5.450  -4.261
  192   3HD1  ILE  22          3HD1      ILE  22  -6.696   3.914  -4.839
  193    H    PHE  23           H        PHE  23  -2.229   0.303  -2.146
  194    HA   PHE  23           HA       PHE  23  -3.120  -2.374  -3.062
  195   1HB   PHE  23          1HB       PHE  23  -0.896  -3.043  -1.628
  196   2HB   PHE  23          2HB       PHE  23  -0.938  -2.910  -3.371
  197    HD1  PHE  23           1HD      PHE  23   0.901  -1.848  -4.279
  198    HD2  PHE  23           2HD      PHE  23  -0.478  -0.703  -0.443
  199    HE1  PHE  23           1HE      PHE  23   2.553  -0.008  -4.311
  200    HE2  PHE  23           2HE      PHE  23   1.138   1.271  -0.448
  201    HZ   PHE  23           HZ       PHE  23   2.662   1.582  -2.381
  202    H    GLU  24           H        GLU  24  -2.899  -3.999  -1.283
  203    HA   GLU  24           HA       GLU  24  -4.580  -2.910   0.843
  204   1HB   GLU  24          1HB       GLU  24  -5.553  -4.762   0.207
  205   2HB   GLU  24          2HB       GLU  24  -4.109  -5.660  -0.088
  206   1HG   GLU  24          1HG       GLU  24  -3.762  -5.920   2.368
  207   2HG   GLU  24          2HG       GLU  24  -5.210  -4.943   2.667
  208    H    LYS  25           H        LYS  25  -3.964  -2.635   3.018
  209    HA   LYS  25           HA       LYS  25  -1.484  -1.930   3.928
  210   1HB   LYS  25          1HB       LYS  25  -3.598  -1.521   5.130
  211   2HB   LYS  25          2HB       LYS  25  -3.867  -3.243   5.304
  212   1HG   LYS  25          1HG       LYS  25  -3.215  -2.411   7.410
  213   2HG   LYS  25          2HG       LYS  25  -1.908  -3.428   6.836
  214   1HD   LYS  25          1HD       LYS  25  -0.603  -1.396   6.204
  215   2HD   LYS  25          2HD       LYS  25  -1.973  -0.384   6.715
  216   1HE   LYS  25          1HE       LYS  25  -1.791  -1.572   8.998
  217   2HE   LYS  25          2HE       LYS  25  -0.229  -2.189   8.450
  218   1HZ   LYS  25          1HZ       LYS  25  -0.050  -0.093   9.715
  219   2HZ   LYS  25          2HZ       LYS  25   0.493   0.128   8.187
  220   3HZ   LYS  25          3HZ       LYS  25  -0.999   0.681   8.623
  221    H    SER  26           H        SER  26  -3.058  -5.066   4.237
  222    HA   SER  26           HA       SER  26  -1.042  -6.229   5.715
  223   1HB   SER  26          1HB       SER  26  -3.082  -7.683   3.992
  224   2HB   SER  26          2HB       SER  26  -2.200  -8.375   5.370
  225    HG   SER  26           HG       SER  26  -4.288  -7.653   5.982
  226    H    LEU  27           H        LEU  27  -1.367  -6.002   2.246
  227    HA   LEU  27           HA       LEU  27   0.563  -8.125   1.587
  228   1HB   LEU  27          1HB       LEU  27  -0.235  -5.937  -0.329
  229   2HB   LEU  27          2HB       LEU  27   0.211  -7.609  -0.636
  230    HG   LEU  27           HG       LEU  27  -2.390  -6.645   0.480
  231   1HD1  LEU  27          1HD1      LEU  27  -3.288  -7.354  -1.721
  232   2HD1  LEU  27          2HD1      LEU  27  -2.074  -6.060  -1.836
  233   3HD1  LEU  27          3HD1      LEU  27  -1.613  -7.728  -2.211
  234   1HD2  LEU  27          1HD2      LEU  27  -1.584  -9.468  -0.267
  235   2HD2  LEU  27          2HD2      LEU  27  -1.961  -8.862   1.364
  236   3HD2  LEU  27          3HD2      LEU  27  -3.234  -8.929   0.151
  237    H    LEU  28           H        LEU  28   0.447  -4.575   1.728
  238    HA   LEU  28           HA       LEU  28   3.134  -4.154   0.750
  239   1HB   LEU  28          1HB       LEU  28   1.380  -2.368   0.755
  240   2HB   LEU  28          2HB       LEU  28   1.490  -2.314   2.517
  241    HG   LEU  28           HG       LEU  28   4.028  -1.841   2.196
  242   1HD1  LEU  28          1HD1      LEU  28   4.317  -2.498  -0.128
  243   2HD1  LEU  28          2HD1      LEU  28   3.060  -1.357  -0.654
  244   3HD1  LEU  28          3HD1      LEU  28   4.595  -0.765   0.004
  245   1HD2  LEU  28          1HD2      LEU  28   3.635   0.546   1.842
  246   2HD2  LEU  28          2HD2      LEU  28   2.019   0.193   1.208
  247   3HD2  LEU  28          3HD2      LEU  28   2.399  -0.153   2.895
  248    H    GLU  29           H        GLU  29   1.714  -4.257   4.061
  249    HA   GLU  29           HA       GLU  29   4.137  -3.883   5.498
  250   1HB   GLU  29          1HB       GLU  29   1.753  -3.908   6.442
  251   2HB   GLU  29          2HB       GLU  29   1.862  -5.679   6.413
  252   1HG   GLU  29          1HG       GLU  29   4.099  -5.283   7.767
  253   2HG   GLU  29          2HG       GLU  29   3.465  -3.670   8.035
  254    H    GLN  30           H        GLN  30   2.683  -6.913   4.270
  255    HA   GLN  30           HA       GLN  30   4.698  -8.682   5.298
  256   1HB   GLN  30          1HB       GLN  30   2.506  -9.379   4.313
  257   2HB   GLN  30          2HB       GLN  30   3.099  -8.985   2.718
  258   1HG   GLN  30          1HG       GLN  30   3.274 -11.398   3.164
  259   2HG   GLN  30          2HG       GLN  30   4.851 -10.683   2.857
  260   1HE2  GLN  30          1HE2      GLN  30   6.475 -11.402   4.297
  261   2HE2  GLN  30          2HE2      GLN  30   6.098 -11.947   5.930
  262    H    TYR  31           H        TYR  31   4.464  -6.975   2.205
  263    HA   TYR  31           HA       TYR  31   6.783  -8.213   0.991
  264   1HB   TYR  31          1HB       TYR  31   4.875  -7.183  -0.228
  265   2HB   TYR  31          2HB       TYR  31   5.364  -5.597   0.348
  266    HD1  TYR  31           1HD      TYR  31   6.931  -8.563  -1.343
  267    HD2  TYR  31           2HD      TYR  31   6.564  -4.286  -1.195
  268    HE1  TYR  31           1HE      TYR  31   8.252  -8.351  -3.500
  269    HE2  TYR  31           2HE      TYR  31   8.047  -4.115  -3.189
  270    HH   TYR  31           HH       TYR  31   9.270  -6.947  -4.951
  271    H    VAL  32           H        VAL  32   6.280  -5.299   2.842
  272    HA   VAL  32           HA       VAL  32   9.023  -4.437   2.475
  273    HB   VAL  32           HB       VAL  32   6.573  -3.153   3.599
  274   1HG1  VAL  32          1HG1      VAL  32   9.204  -1.719   3.475
  275   2HG1  VAL  32          2HG1      VAL  32   7.621  -1.040   3.778
  276   3HG1  VAL  32          3HG1      VAL  32   8.308  -2.155   4.952
  277   1HG2  VAL  32          1HG2      VAL  32   6.408  -1.990   1.658
  278   2HG2  VAL  32          2HG2      VAL  32   8.129  -2.162   1.262
  279   3HG2  VAL  32          3HG2      VAL  32   7.012  -3.511   1.071
  280    H    LYS  33           H        LYS  33   7.424  -6.269   4.801
  281    HA   LYS  33           HA       LYS  33   9.614  -5.907   6.818
  282   1HB   LYS  33          1HB       LYS  33   8.396  -6.989   8.411
  283   2HB   LYS  33          2HB       LYS  33   7.171  -6.087   7.532
  284   1HG   LYS  33          1HG       LYS  33   6.841  -8.345   6.215
  285   2HG   LYS  33          2HG       LYS  33   7.719  -9.075   7.553
  286   1HD   LYS  33          1HD       LYS  33   5.100  -7.520   7.693
  287   2HD   LYS  33          2HD       LYS  33   5.297  -9.265   7.860
  288   1HE   LYS  33          1HE       LYS  33   6.632  -8.904   9.934
  289   2HE   LYS  33          2HE       LYS  33   6.428  -7.157   9.755
  290   1HZ   LYS  33          1HZ       LYS  33   4.210  -9.094  10.156
  291   2HZ   LYS  33          2HZ       LYS  33   4.778  -8.057  11.280
  292   3HZ   LYS  33          3HZ       LYS  33   4.002  -7.482   9.956
  293    H    ASP  34           H        ASP  34   8.836  -7.749   4.143
  294    HA   ASP  34           HA       ASP  34  10.671 -10.005   4.523
  295   1HB   ASP  34          1HB       ASP  34   8.712  -9.063   2.512
  296   2HB   ASP  34          2HB       ASP  34  10.170  -9.595   1.772
  297    H    THR  35           H        THR  35  10.639  -7.348   2.134
  298    HA   THR  35           HA       THR  35  13.654  -7.268   2.135
  299    HB   THR  35           HB       THR  35  13.579  -6.633  -0.182
  300    HG1  THR  35           1HG      THR  35  10.773  -7.026  -0.108
  301   1HG2  THR  35          1HG2      THR  35  13.575  -9.073   0.278
  302   2HG2  THR  35          2HG2      THR  35  11.800  -9.085   0.148
  303   3HG2  THR  35          3HG2      THR  35  12.790  -8.649  -1.257
  304    H    GLY  36           H        GLY  36  10.742  -5.367   2.481
  305   1HA   GLY  36          1HA       GLY  36  10.615  -3.197   3.276
  306   2HA   GLY  36          2HA       GLY  36  12.319  -2.934   2.991
  307    H    ASN  37           H        ASN  37  11.683  -4.139   0.117
  308    HA   ASN  37           HA       ASN  37  11.781  -1.525  -1.063
  309   1HB   ASN  37          1HB       ASN  37  11.452  -4.375  -2.156
  310   2HB   ASN  37          2HB       ASN  37  11.605  -2.993  -3.204
  311   1HD2  ASN  37          1HD2      ASN  37  13.645  -3.122  -0.237
  312   2HD2  ASN  37          2HD2      ASN  37  15.088  -3.458  -1.171
  313    H    ASP  38           H        ASP  38  10.301  -0.345  -2.288
  314    HA   ASP  38           HA       ASP  38   7.463  -0.884  -2.112
  315   1HB   ASP  38          1HB       ASP  38   9.176   1.028  -3.723
  316   2HB   ASP  38          2HB       ASP  38   7.450   0.880  -4.046
  317    HA   PRO  39           HA       PRO  39   7.128  -4.042  -5.130
  318   1HB   PRO  39          1HB       PRO  39   4.552  -3.836  -6.043
  319   2HB   PRO  39          2HB       PRO  39   5.013  -4.334  -4.388
  320   1HG   PRO  39          1HG       PRO  39   4.201  -1.571  -5.335
  321   2HG   PRO  39          2HG       PRO  39   3.554  -2.496  -3.937
  322   1HD   PRO  39          1HD       PRO  39   5.475  -0.632  -3.586
  323   2HD   PRO  39          2HD       PRO  39   5.538  -2.177  -2.685
  324    H    ILE  40           H        ILE  40   7.265  -0.885  -6.371
  325    HA   ILE  40           HA       ILE  40   7.313  -1.864  -9.218
  326    HB   ILE  40           HB       ILE  40   5.932   0.565  -8.085
  327   1HG1  ILE  40          1HG1      ILE  40   4.814  -1.382 -10.127
  328   2HG1  ILE  40          2HG1      ILE  40   4.839  -1.848  -8.435
  329   1HG2  ILE  40          1HG2      ILE  40   7.162   1.416 -10.020
  330   2HG2  ILE  40          2HG2      ILE  40   6.624   0.039 -11.007
  331   3HG2  ILE  40          3HG2      ILE  40   5.464   1.258 -10.448
  332   1HD1  ILE  40          1HD1      ILE  40   3.495   0.008  -7.761
  333   2HD1  ILE  40          2HD1      ILE  40   3.494   0.688  -9.409
  334   3HD1  ILE  40          3HD1      ILE  40   2.688  -0.857  -9.081
  335    H    THR  41           H        THR  41   8.405   0.788  -7.037
  336    HA   THR  41           HA       THR  41  10.575   1.496  -8.890
  337    HB   THR  41           HB       THR  41  11.236   3.164  -7.225
  338    HG1  THR  41           1HG      THR  41   8.971   2.143  -5.928
  339   1HG2  THR  41          1HG2      THR  41   9.265   4.598  -7.352
  340   2HG2  THR  41          2HG2      THR  41   9.515   3.782  -8.904
  341   3HG2  THR  41          3HG2      THR  41   8.236   3.224  -7.804
  342    H    ASN  42           H        ASN  42  10.175  -0.784  -6.349
  343    HA   ASN  42           HA       ASN  42  11.352  -1.755  -4.840
  344   1HB   ASN  42          1HB       ASN  42  13.040  -3.110  -5.567
  345   2HB   ASN  42          2HB       ASN  42  11.974  -2.896  -6.927
  346   1HD2  ASN  42          1HD2      ASN  42  15.002  -1.473  -5.595
  347   2HD2  ASN  42          2HD2      ASN  42  15.779  -1.317  -7.180
  348    H    GLU  43           H        GLU  43  11.536   1.131  -4.694
  349    HA   GLU  43           HA       GLU  43  14.168   1.770  -3.606
  350   1HB   GLU  43          1HB       GLU  43  11.444   3.020  -3.230
  351   2HB   GLU  43          2HB       GLU  43  12.924   3.713  -2.576
  352   1HG   GLU  43          1HG       GLU  43  13.095   3.092  -5.488
  353   2HG   GLU  43          2HG       GLU  43  11.818   4.207  -5.080
  354    HA   PRO  44           HA       PRO  44  13.633  -0.601   0.095
  355   1HB   PRO  44          1HB       PRO  44  15.609   0.397   1.727
  356   2HB   PRO  44          2HB       PRO  44  15.909  -0.635   0.293
  357   1HG   PRO  44          1HG       PRO  44  16.037   2.393   0.464
  358   2HG   PRO  44          2HG       PRO  44  17.231   1.273  -0.257
  359   1HD   PRO  44          1HD       PRO  44  15.385   2.564  -1.776
  360   2HD   PRO  44          2HD       PRO  44  15.860   0.878  -2.145
  361    H    LEU  45           H        LEU  45  12.227  -0.553   1.626
  362    HA   LEU  45           HA       LEU  45  10.907  -0.120   3.342
  363   1HB   LEU  45          1HB       LEU  45  12.505   2.398   3.806
  364   2HB   LEU  45          2HB       LEU  45  11.144   1.912   4.804
  365    HG   LEU  45           HG       LEU  45  13.484   0.018   4.332
  366   1HD1  LEU  45          1HD1      LEU  45  13.191   2.086   6.552
  367   2HD1  LEU  45          2HD1      LEU  45  14.430   0.815   6.462
  368   3HD1  LEU  45          3HD1      LEU  45  14.401   2.102   5.251
  369   1HD2  LEU  45          1HD2      LEU  45  11.427   0.256   6.575
  370   2HD2  LEU  45          2HD2      LEU  45  11.435  -0.980   5.298
  371   3HD2  LEU  45          3HD2      LEU  45  12.741  -0.934   6.481
  372    H    SER  46           H        SER  46   8.956   0.729   3.732
  373    HA   SER  46           HA       SER  46   7.731   2.608   1.811
  374   1HB   SER  46          1HB       SER  46   7.600   0.190   0.975
  375   2HB   SER  46          2HB       SER  46   6.373   0.010   2.236
  376    HG   SER  46           HG       SER  46   6.271   1.495  -0.118
  377    H    ILE  47           H        ILE  47   6.945   0.348   4.358
  378    HA   ILE  47           HA       ILE  47   4.830   1.670   5.583
  379    HB   ILE  47           HB       ILE  47   6.918  -0.201   6.763
  380   1HG1  ILE  47          1HG1      ILE  47   5.689  -1.288   4.977
  381   2HG1  ILE  47          2HG1      ILE  47   5.248  -1.981   6.523
  382   1HG2  ILE  47          1HG2      ILE  47   4.297   0.667   8.020
  383   2HG2  ILE  47          2HG2      ILE  47   5.251  -0.748   8.539
  384   3HG2  ILE  47          3HG2      ILE  47   5.945   0.867   8.655
  385   1HD1  ILE  47          1HD1      ILE  47   3.290  -1.727   5.058
  386   2HD1  ILE  47          2HD1      ILE  47   3.111  -0.674   6.473
  387   3HD1  ILE  47          3HD1      ILE  47   3.605  -0.001   4.897
  388    H    GLU  48           H        GLU  48   8.158   2.385   6.022
  389    HA   GLU  48           HA       GLU  48   7.877   4.216   8.261
  390   1HB   GLU  48          1HB       GLU  48  10.010   3.925   6.105
  391   2HB   GLU  48          2HB       GLU  48  10.139   5.033   7.469
  392   1HG   GLU  48          1HG       GLU  48   9.921   1.998   7.689
  393   2HG   GLU  48          2HG       GLU  48  11.399   2.935   7.814
  394    H    GLU  49           H        GLU  49   6.774   4.312   5.103
  395    HA   GLU  49           HA       GLU  49   6.480   7.289   5.082
  396   1HB   GLU  49          1HB       GLU  49   7.293   5.490   2.757
  397   2HB   GLU  49          2HB       GLU  49   6.898   7.208   2.627
  398   1HG   GLU  49          1HG       GLU  49   8.787   7.792   4.096
  399   2HG   GLU  49          2HG       GLU  49   9.221   6.081   4.239
  400    H    ILE  50           H        ILE  50   4.804   4.645   5.465
  401    HA   ILE  50           HA       ILE  50   2.937   4.427   3.455
  402    HB   ILE  50           HB       ILE  50   3.237   2.821   5.231
  403   1HG1  ILE  50          1HG1      ILE  50   0.316   3.656   5.150
  404   2HG1  ILE  50          2HG1      ILE  50   1.165   2.947   3.777
  405   1HG2  ILE  50          1HG2      ILE  50   2.339   3.040   7.461
  406   2HG2  ILE  50          2HG2      ILE  50   3.229   4.533   7.174
  407   3HG2  ILE  50          3HG2      ILE  50   1.468   4.530   7.052
  408   1HD1  ILE  50          1HD1      ILE  50  -0.163   1.308   5.120
  409   2HD1  ILE  50          2HD1      ILE  50   1.548   0.895   4.941
  410   3HD1  ILE  50          3HD1      ILE  50   0.938   1.564   6.474
  411    H    VAL  51           H        VAL  51   1.161   5.165   2.859
  412    HA   VAL  51           HA       VAL  51  -0.335   7.356   4.288
  413    HB   VAL  51           HB       VAL  51  -0.143   6.978   1.278
  414   1HG1  VAL  51          1HG1      VAL  51  -1.315   9.160   1.190
  415   2HG1  VAL  51          2HG1      VAL  51  -2.310   7.944   1.985
  416   3HG1  VAL  51          3HG1      VAL  51  -1.461   9.160   2.961
  417   1HG2  VAL  51          1HG2      VAL  51   1.065   9.145   1.288
  418   2HG2  VAL  51          2HG2      VAL  51   1.107   9.100   3.066
  419   3HG2  VAL  51          3HG2      VAL  51   1.975   7.880   2.111
  420    H    GLU  52           H        GLU  52  -1.729   5.950   5.398
  421    HA   GLU  52           HA       GLU  52  -3.206   3.868   3.963
  422   1HB   GLU  52          1HB       GLU  52  -4.058   4.992   6.627
  423   2HB   GLU  52          2HB       GLU  52  -4.353   3.394   5.918
  424   1HG   GLU  52          1HG       GLU  52  -1.875   2.941   6.114
  425   2HG   GLU  52          2HG       GLU  52  -1.727   4.434   7.051
  426    H    ILE  53           H        ILE  53  -5.135   4.003   2.929
  427    HA   ILE  53           HA       ILE  53  -6.304   6.681   2.488
  428    HB   ILE  53           HB       ILE  53  -7.074   4.042   1.220
  429   1HG1  ILE  53          1HG1      ILE  53  -4.746   4.365   0.656
  430   2HG1  ILE  53          2HG1      ILE  53  -5.750   4.683  -0.739
  431   1HG2  ILE  53          1HG2      ILE  53  -7.991   5.513  -0.579
  432   2HG2  ILE  53          2HG2      ILE  53  -8.808   5.730   0.971
  433   3HG2  ILE  53          3HG2      ILE  53  -7.631   6.933   0.421
  434   1HD1  ILE  53          1HD1      ILE  53  -4.422   6.793   1.017
  435   2HD1  ILE  53          2HD1      ILE  53  -3.941   6.304  -0.614
  436   3HD1  ILE  53          3HD1      ILE  53  -5.473   7.146  -0.375
  437    H    VAL  54           H        VAL  54  -6.941   6.866   4.687
  438    HA   VAL  54           HA       VAL  54  -8.809   5.180   6.006
  439    HB   VAL  54           HB       VAL  54  -9.218   7.127   7.522
  440   1HG1  VAL  54          1HG1      VAL  54  -6.964   7.176   8.443
  441   2HG1  VAL  54          2HG1      VAL  54  -7.352   5.544   7.876
  442   3HG1  VAL  54          3HG1      VAL  54  -6.281   6.588   6.915
  443   1HG2  VAL  54          1HG2      VAL  54  -7.918   9.165   7.318
  444   2HG2  VAL  54          2HG2      VAL  54  -7.234   8.636   5.772
  445   3HG2  VAL  54          3HG2      VAL  54  -8.968   8.997   5.906
  446    HA   PRO  55           HA       PRO  55 -12.715   6.293   4.193
  447   1HB   PRO  55          1HB       PRO  55 -14.500   5.565   6.113
  448   2HB   PRO  55          2HB       PRO  55 -13.481   4.377   5.247
  449   1HG   PRO  55          1HG       PRO  55 -12.957   5.635   7.964
  450   2HG   PRO  55          2HG       PRO  55 -12.940   3.893   7.532
  451   1HD   PRO  55          1HD       PRO  55 -10.659   5.365   7.615
  452   2HD   PRO  55          2HD       PRO  55 -10.900   4.102   6.370
  453    H    SER  56           H        SER  56 -11.543   8.000   6.935
  454    HA   SER  56           HA       SER  56 -13.576   9.645   7.798
  455   1HB   SER  56          1HB       SER  56 -10.662  10.434   7.431
  456   2HB   SER  56          2HB       SER  56 -11.830  11.172   8.543
  457    HG   SER  56           HG       SER  56 -10.534   9.628   9.614
  Start of MODEL   18
    1    H    MET   1           H        MET   1  -7.628   2.395  -6.772
    2    HA   MET   1           HA       MET   1  -7.438   0.805  -4.668
    3   1HB   MET   1          1HB       MET   1  -9.532   1.717  -5.770
    4   2HB   MET   1          2HB       MET   1  -9.583   0.255  -6.752
    5   1HG   MET   1          1HG       MET   1 -11.112   0.152  -4.850
    6   2HG   MET   1          2HG       MET   1  -9.899  -1.109  -4.728
    7   1HE   MET   1          1HE       MET   1 -10.788  -0.253  -0.993
    8   2HE   MET   1          2HE       MET   1 -11.897  -0.171  -2.381
    9   3HE   MET   1          3HE       MET   1 -10.739  -1.514  -2.243
   10    H    LEU   2           H        LEU   2  -6.092  -0.252  -7.454
   11    HA   LEU   2           HA       LEU   2  -6.463  -3.168  -6.979
   12   1HB   LEU   2          1HB       LEU   2  -6.866  -2.147  -9.265
   13   2HB   LEU   2          2HB       LEU   2  -5.168  -1.684  -9.300
   14    HG   LEU   2           HG       LEU   2  -4.613  -4.195  -9.046
   15   1HD1  LEU   2          1HD1      LEU   2  -6.873  -4.938  -8.296
   16   2HD1  LEU   2          2HD1      LEU   2  -7.551  -4.428  -9.853
   17   3HD1  LEU   2          3HD1      LEU   2  -6.374  -5.756  -9.780
   18   1HD2  LEU   2          1HD2      LEU   2  -6.114  -3.257 -11.527
   19   2HD2  LEU   2          2HD2      LEU   2  -4.391  -2.989 -11.179
   20   3HD2  LEU   2          3HD2      LEU   2  -4.986  -4.633 -11.446
   21    H    CYS   3           H        CYS   3  -4.972  -4.293  -5.755
   22    HA   CYS   3           HA       CYS   3  -2.714  -2.842  -4.843
   23   1HB   CYS   3          1HB       CYS   3  -3.982  -4.241  -3.360
   24   2HB   CYS   3          2HB       CYS   3  -3.862  -5.597  -4.368
   25    HG   CYS   3           HG       CYS   3  -2.531  -6.019  -2.212
   26    H    ALA   4           H        ALA   4  -0.623  -3.310  -4.889
   27    HA   ALA   4           HA       ALA   4   0.409  -4.164  -7.563
   28   1HB   ALA   4          1HB       ALA   4   1.986  -2.909  -5.313
   29   2HB   ALA   4          2HB       ALA   4   2.463  -3.100  -6.999
   30   3HB   ALA   4          3HB       ALA   4   1.144  -1.985  -6.594
   31    H    ILE   5           H        ILE   5   0.256  -5.303  -4.282
   32    HA   ILE   5           HA       ILE   5   2.529  -7.169  -4.536
   33    HB   ILE   5           HB       ILE   5   0.546  -6.566  -2.312
   34   1HG1  ILE   5          1HG1      ILE   5   2.945  -6.123  -1.208
   35   2HG1  ILE   5          2HG1      ILE   5   3.409  -5.818  -2.872
   36   1HG2  ILE   5          1HG2      ILE   5   2.829  -8.628  -2.459
   37   2HG2  ILE   5          2HG2      ILE   5   2.025  -8.170  -0.954
   38   3HG2  ILE   5          3HG2      ILE   5   1.104  -8.991  -2.212
   39   1HD1  ILE   5          1HD1      ILE   5   1.113  -4.471  -1.362
   40   2HD1  ILE   5          2HD1      ILE   5   2.725  -3.781  -1.608
   41   3HD1  ILE   5          3HD1      ILE   5   1.659  -4.044  -3.000
   42    H    SER   6           H        SER   6  -1.033  -7.407  -4.412
   43    HA   SER   6           HA       SER   6  -0.802 -10.115  -5.665
   44   1HB   SER   6          1HB       SER   6  -1.417 -10.413  -3.305
   45   2HB   SER   6          2HB       SER   6  -2.909  -9.486  -3.623
   46    HG   SER   6           HG       SER   6  -3.147 -11.802  -3.790
   47    H    GLY   7           H        GLY   7  -2.855  -7.277  -5.170
   48   1HA   GLY   7          1HA       GLY   7  -3.932  -6.104  -7.001
   49   2HA   GLY   7          2HA       GLY   7  -3.711  -7.562  -7.942
   50    H    LYS   8           H        LYS   8  -4.815  -7.892  -4.858
   51    HA   LYS   8           HA       LYS   8  -7.605  -8.652  -5.594
   52   1HB   LYS   8          1HB       LYS   8  -7.745  -9.653  -3.489
   53   2HB   LYS   8          2HB       LYS   8  -6.045  -9.889  -3.966
   54   1HG   LYS   8          1HG       LYS   8  -5.322  -8.076  -2.508
   55   2HG   LYS   8          2HG       LYS   8  -7.004  -7.714  -2.069
   56   1HD   LYS   8          1HD       LYS   8  -7.258  -9.991  -1.104
   57   2HD   LYS   8          2HD       LYS   8  -5.540 -10.322  -1.468
   58   1HE   LYS   8          1HE       LYS   8  -4.861  -8.403  -0.084
   59   2HE   LYS   8          2HE       LYS   8  -6.548  -7.952   0.171
   60   1HZ   LYS   8          1HZ       LYS   8  -5.330 -10.468   1.175
   61   2HZ   LYS   8          2HZ       LYS   8  -5.614  -9.095   2.044
   62   3HZ   LYS   8          3HZ       LYS   8  -6.871  -9.958   1.447
   63    H    VAL   9           H        VAL   9  -9.404  -7.775  -4.196
   64    HA   VAL   9           HA       VAL   9  -9.415  -4.837  -4.113
   65    HB   VAL   9           HB       VAL   9 -11.501  -6.805  -3.098
   66   1HG1  VAL   9          1HG1      VAL   9 -11.725  -4.593  -2.005
   67   2HG1  VAL   9          2HG1      VAL   9 -11.636  -3.788  -3.590
   68   3HG1  VAL   9          3HG1      VAL   9 -13.014  -4.833  -3.185
   69   1HG2  VAL   9          1HG2      VAL   9 -11.217  -6.976  -5.540
   70   2HG2  VAL   9          2HG2      VAL   9 -12.730  -6.153  -5.159
   71   3HG2  VAL   9          3HG2      VAL   9 -11.325  -5.207  -5.697
   72    HA   PRO  10           HA       PRO  10  -7.365  -5.275  -0.142
   73   1HB   PRO  10          1HB       PRO  10  -6.815  -2.666   0.446
   74   2HB   PRO  10          2HB       PRO  10  -5.995  -3.562  -0.871
   75   1HG   PRO  10          1HG       PRO  10  -8.367  -1.696  -1.118
   76   2HG   PRO  10          2HG       PRO  10  -6.840  -1.680  -2.063
   77   1HD   PRO  10          1HD       PRO  10  -9.076  -2.909  -3.002
   78   2HD   PRO  10          2HD       PRO  10  -7.452  -3.610  -3.264
   79    H    ARG  11           H        ARG  11  -8.145  -5.593   1.837
   80    HA   ARG  11           HA       ARG  11 -10.668  -4.487   2.838
   81   1HB   ARG  11          1HB       ARG  11  -8.430  -5.973   4.294
   82   2HB   ARG  11          2HB       ARG  11 -10.028  -5.640   4.942
   83   1HG   ARG  11          1HG       ARG  11  -9.388  -7.435   2.558
   84   2HG   ARG  11          2HG       ARG  11  -9.830  -7.969   4.171
   85   1HD   ARG  11          1HD       ARG  11 -11.626  -6.408   2.268
   86   2HD   ARG  11          2HD       ARG  11 -11.697  -8.143   2.577
   87    HE   ARG  11           HE       ARG  11 -11.952  -6.945   5.097
   88   1HH1  ARG  11          2HH2      ARG  11 -13.860  -6.966   2.170
   89   2HH1  ARG  11          1HH2      ARG  11 -15.353  -6.699   3.038
   90   1HH2  ARG  11          2HH1      ARG  11 -13.860  -6.585   6.138
   91   2HH2  ARG  11          1HH1      ARG  11 -15.340  -6.488   5.225
   92    H    ARG  12           H        ARG  12  -7.249  -3.725   3.317
   93    HA   ARG  12           HA       ARG  12  -8.047  -1.095   4.551
   94   1HB   ARG  12          1HB       ARG  12  -5.582  -2.763   5.132
   95   2HB   ARG  12          2HB       ARG  12  -5.874  -1.141   5.747
   96   1HG   ARG  12          1HG       ARG  12  -7.525  -3.630   6.371
   97   2HG   ARG  12          2HG       ARG  12  -6.323  -2.893   7.420
   98   1HD   ARG  12          1HD       ARG  12  -8.934  -1.582   6.554
   99   2HD   ARG  12          2HD       ARG  12  -8.617  -2.372   8.102
  100    HE   ARG  12           HE       ARG  12  -6.810  -0.112   7.377
  101   1HH1  ARG  12          2HH2      ARG  12  -9.665  -0.962   9.276
  102   2HH1  ARG  12          1HH2      ARG  12  -9.468   0.476  10.248
  103   1HH2  ARG  12          2HH1      ARG  12  -6.687   1.536   8.557
  104   2HH2  ARG  12          1HH1      ARG  12  -7.875   1.946   9.802
  105    HA   PRO  13           HA       PRO  13  -6.020  -0.223   0.489
  106   1HB   PRO  13          1HB       PRO  13  -7.354   2.217   0.085
  107   2HB   PRO  13          2HB       PRO  13  -7.836   0.617  -0.535
  108   1HG   PRO  13          1HG       PRO  13  -8.767   1.991   1.998
  109   2HG   PRO  13          2HG       PRO  13  -9.759   1.161   0.750
  110   1HD   PRO  13          1HD       PRO  13  -9.166  -0.207   2.958
  111   2HD   PRO  13          2HD       PRO  13  -8.833  -0.979   1.365
  112    H    VAL  14           H        VAL  14  -4.205   0.520   0.473
  113    HA   VAL  14           HA       VAL  14  -3.252   2.908   2.017
  114    HB   VAL  14           HB       VAL  14  -2.581   0.040   2.353
  115   1HG1  VAL  14          1HG1      VAL  14  -0.261   0.263   2.893
  116   2HG1  VAL  14          2HG1      VAL  14  -0.500   0.684   1.216
  117   3HG1  VAL  14          3HG1      VAL  14  -0.253   1.978   2.388
  118   1HG2  VAL  14          1HG2      VAL  14  -2.021   2.515   4.040
  119   2HG2  VAL  14          2HG2      VAL  14  -3.496   1.504   4.126
  120   3HG2  VAL  14          3HG2      VAL  14  -1.918   0.843   4.574
  121    H    LEU  15           H        LEU  15  -1.607   4.054   1.164
  122    HA   LEU  15           HA       LEU  15  -0.525   3.312  -1.520
  123   1HB   LEU  15          1HB       LEU  15  -2.299   4.881  -1.804
  124   2HB   LEU  15          2HB       LEU  15  -1.739   5.920  -0.509
  125    HG   LEU  15           HG       LEU  15   0.065   5.517  -2.906
  126   1HD1  LEU  15          1HD1      LEU  15  -2.352   7.372  -2.820
  127   2HD1  LEU  15          2HD1      LEU  15  -1.073   7.390  -4.058
  128   3HD1  LEU  15          3HD1      LEU  15  -2.131   5.981  -3.902
  129   1HD2  LEU  15          1HD2      LEU  15   0.779   6.950  -0.919
  130   2HD2  LEU  15          2HD2      LEU  15   0.694   7.831  -2.449
  131   3HD2  LEU  15          3HD2      LEU  15  -0.602   7.999  -1.245
  132    H    SER  16           H        SER  16   1.527   4.173  -1.974
  133    HA   SER  16           HA       SER  16   3.065   5.416   0.252
  134   1HB   SER  16          1HB       SER  16   4.039   3.180  -1.553
  135   2HB   SER  16          2HB       SER  16   5.095   4.198  -0.565
  136    HG   SER  16           HG       SER  16   4.567   2.277   0.498
  137    HA   PRO  17           HA       PRO  17   3.477   8.511  -2.786
  138   1HB   PRO  17          1HB       PRO  17   5.650   9.958  -1.941
  139   2HB   PRO  17          2HB       PRO  17   4.110   9.871  -1.036
  140   1HG   PRO  17          1HG       PRO  17   6.606   8.191  -0.608
  141   2HG   PRO  17          2HG       PRO  17   5.688   9.132   0.614
  142   1HD   PRO  17          1HD       PRO  17   5.242   6.486   0.290
  143   2HD   PRO  17          2HD       PRO  17   3.870   7.607   0.551
  144    H    LYS  18           H        LYS  18   5.499   5.942  -2.862
  145    HA   LYS  18           HA       LYS  18   7.358   6.888  -4.989
  146   1HB   LYS  18          1HB       LYS  18   7.264   4.159  -3.687
  147   2HB   LYS  18          2HB       LYS  18   8.566   4.904  -4.622
  148   1HG   LYS  18          1HG       LYS  18   8.970   6.510  -2.802
  149   2HG   LYS  18          2HG       LYS  18   7.646   5.797  -1.846
  150   1HD   LYS  18          1HD       LYS  18   8.766   3.595  -1.903
  151   2HD   LYS  18          2HD       LYS  18  10.102   4.306  -2.815
  152   1HE   LYS  18          1HE       LYS  18   9.238   4.999   0.029
  153   2HE   LYS  18          2HE       LYS  18  10.642   4.028  -0.420
  154   1HZ   LYS  18          1HZ       LYS  18  11.275   6.287   0.070
  155   2HZ   LYS  18          2HZ       LYS  18  11.531   6.023  -1.568
  156   3HZ   LYS  18          3HZ       LYS  18  10.255   6.901  -1.015
  157    H    SER  19           H        SER  19   5.544   3.784  -4.606
  158    HA   SER  19           HA       SER  19   4.900   3.316  -7.225
  159   1HB   SER  19          1HB       SER  19   3.196   1.862  -6.383
  160   2HB   SER  19          2HB       SER  19   4.534   1.814  -5.234
  161    HG   SER  19           HG       SER  19   2.144   2.151  -4.574
  162    H    ARG  20           H        ARG  20   2.960   5.275  -4.988
  163    HA   ARG  20           HA       ARG  20   1.103   6.580  -5.160
  164   1HB   ARG  20          1HB       ARG  20   1.739   6.843  -8.122
  165   2HB   ARG  20          2HB       ARG  20   0.587   7.823  -7.234
  166   1HG   ARG  20          1HG       ARG  20   3.563   7.742  -6.580
  167   2HG   ARG  20          2HG       ARG  20   2.811   8.909  -7.665
  168   1HD   ARG  20          1HD       ARG  20   1.378   9.750  -5.879
  169   2HD   ARG  20          2HD       ARG  20   2.018   8.546  -4.747
  170    HE   ARG  20           HE       ARG  20   4.301   9.611  -5.176
  171   1HH1  ARG  20          2HH2      ARG  20   1.436  11.641  -5.218
  172   2HH1  ARG  20          1HH2      ARG  20   2.356  13.048  -4.746
  173   1HH2  ARG  20          2HH1      ARG  20   5.363  11.373  -4.599
  174   2HH2  ARG  20          1HH1      ARG  20   4.536  12.900  -4.413
  175    H    THR  21           H        THR  21   1.135   3.539  -6.142
  176    HA   THR  21           HA       THR  21  -1.532   3.185  -7.265
  177    HB   THR  21           HB       THR  21  -0.962   0.814  -6.938
  178    HG1  THR  21           1HG      THR  21   0.991   0.248  -6.058
  179   1HG2  THR  21          1HG2      THR  21  -0.010   2.002  -8.961
  180   2HG2  THR  21          2HG2      THR  21   1.503   2.212  -8.045
  181   3HG2  THR  21          3HG2      THR  21   0.921   0.586  -8.424
  182    H    ILE  22           H        ILE  22  -2.907   1.381  -5.914
  183    HA   ILE  22           HA       ILE  22  -2.748   1.988  -3.005
  184    HB   ILE  22           HB       ILE  22  -5.305   1.633  -4.540
  185   1HG1  ILE  22          1HG1      ILE  22  -4.191   4.116  -3.150
  186   2HG1  ILE  22          2HG1      ILE  22  -4.304   3.891  -4.893
  187   1HG2  ILE  22          1HG2      ILE  22  -5.340   0.648  -2.231
  188   2HG2  ILE  22          2HG2      ILE  22  -4.848   2.230  -1.581
  189   3HG2  ILE  22          3HG2      ILE  22  -6.423   2.022  -2.380
  190   1HD1  ILE  22          1HD1      ILE  22  -6.103   5.303  -4.232
  191   2HD1  ILE  22          2HD1      ILE  22  -6.798   3.738  -4.697
  192   3HD1  ILE  22          3HD1      ILE  22  -6.641   4.181  -2.982
  193    H    PHE  23           H        PHE  23  -2.150   0.294  -2.043
  194    HA   PHE  23           HA       PHE  23  -2.966  -2.446  -2.911
  195   1HB   PHE  23          1HB       PHE  23  -0.822  -3.023  -1.399
  196   2HB   PHE  23          2HB       PHE  23  -0.801  -2.869  -3.139
  197    HD1  PHE  23           1HD      PHE  23   0.786  -1.593  -4.138
  198    HD2  PHE  23           2HD      PHE  23  -0.185  -0.983  -0.078
  199    HE1  PHE  23           1HE      PHE  23   2.518   0.162  -4.075
  200    HE2  PHE  23           2HE      PHE  23   1.482   1.013   0.003
  201    HZ   PHE  23           HZ       PHE  23   2.831   1.499  -1.989
  202    H    GLU  24           H        GLU  24  -2.872  -4.037  -1.022
  203    HA   GLU  24           HA       GLU  24  -4.553  -2.919   1.064
  204   1HB   GLU  24          1HB       GLU  24  -4.687  -5.320   0.242
  205   2HB   GLU  24          2HB       GLU  24  -3.227  -5.602   1.222
  206   1HG   GLU  24          1HG       GLU  24  -4.389  -4.981   3.259
  207   2HG   GLU  24          2HG       GLU  24  -5.788  -4.422   2.342
  208    H    LYS  25           H        LYS  25  -3.848  -2.427   3.268
  209    HA   LYS  25           HA       LYS  25  -1.144  -1.745   3.816
  210   1HB   LYS  25          1HB       LYS  25  -3.207  -0.924   5.048
  211   2HB   LYS  25          2HB       LYS  25  -3.313  -2.495   5.842
  212   1HG   LYS  25          1HG       LYS  25  -1.218  -2.194   6.977
  213   2HG   LYS  25          2HG       LYS  25  -0.756  -0.850   5.934
  214   1HD   LYS  25          1HD       LYS  25  -1.332  -0.008   8.111
  215   2HD   LYS  25          2HD       LYS  25  -2.498   0.582   6.922
  216   1HE   LYS  25          1HE       LYS  25  -4.148  -1.081   7.656
  217   2HE   LYS  25          2HE       LYS  25  -2.974  -1.799   8.768
  218   1HZ   LYS  25          1HZ       LYS  25  -3.983   0.998   8.931
  219   2HZ   LYS  25          2HZ       LYS  25  -4.480  -0.234   9.895
  220   3HZ   LYS  25          3HZ       LYS  25  -2.943   0.305   9.995
  221    H    SER  26           H        SER  26  -3.042  -4.659   4.560
  222    HA   SER  26           HA       SER  26  -0.946  -5.951   5.928
  223   1HB   SER  26          1HB       SER  26  -3.233  -7.321   4.498
  224   2HB   SER  26          2HB       SER  26  -2.258  -7.985   5.813
  225    HG   SER  26           HG       SER  26  -4.230  -7.118   6.594
  226    H    LEU  27           H        LEU  27  -1.733  -6.067   2.387
  227    HA   LEU  27           HA       LEU  27   0.240  -8.102   1.837
  228   1HB   LEU  27          1HB       LEU  27  -1.082  -6.094  -0.039
  229   2HB   LEU  27          2HB       LEU  27  -0.091  -7.473  -0.458
  230    HG   LEU  27           HG       LEU  27  -2.958  -7.411   0.229
  231   1HD1  LEU  27          1HD1      LEU  27  -3.033  -9.187  -1.371
  232   2HD1  LEU  27          2HD1      LEU  27  -2.053  -7.844  -1.997
  233   3HD1  LEU  27          3HD1      LEU  27  -1.250  -9.298  -1.364
  234   1HD2  LEU  27          1HD2      LEU  27  -2.986  -9.815   0.883
  235   2HD2  LEU  27          2HD2      LEU  27  -1.227  -9.761   1.087
  236   3HD2  LEU  27          3HD2      LEU  27  -2.299  -8.779   2.126
  237    H    LEU  28           H        LEU  28   0.300  -4.521   1.826
  238    HA   LEU  28           HA       LEU  28   2.971  -4.301   0.764
  239   1HB   LEU  28          1HB       LEU  28   1.471  -2.330   0.942
  240   2HB   LEU  28          2HB       LEU  28   1.619  -2.399   2.697
  241    HG   LEU  28           HG       LEU  28   4.199  -2.211   2.337
  242   1HD1  LEU  28          1HD1      LEU  28   3.266  -1.403  -0.438
  243   2HD1  LEU  28          2HD1      LEU  28   4.881  -1.108   0.227
  244   3HD1  LEU  28          3HD1      LEU  28   4.332  -2.761  -0.025
  245   1HD2  LEU  28          1HD2      LEU  28   2.335   0.065   1.703
  246   2HD2  LEU  28          2HD2      LEU  28   2.980  -0.426   3.274
  247   3HD2  LEU  28          3HD2      LEU  28   4.066   0.248   2.048
  248    H    GLU  29           H        GLU  29   1.596  -4.594   4.086
  249    HA   GLU  29           HA       GLU  29   3.972  -4.419   5.604
  250   1HB   GLU  29          1HB       GLU  29   1.606  -4.544   6.509
  251   2HB   GLU  29          2HB       GLU  29   1.697  -6.295   6.268
  252   1HG   GLU  29          1HG       GLU  29   3.952  -6.022   7.693
  253   2HG   GLU  29          2HG       GLU  29   3.194  -4.526   8.206
  254    H    GLN  30           H        GLN  30   2.564  -7.230   3.952
  255    HA   GLN  30           HA       GLN  30   4.477  -9.200   4.779
  256   1HB   GLN  30          1HB       GLN  30   2.226  -9.520   3.582
  257   2HB   GLN  30          2HB       GLN  30   3.065  -9.138   2.084
  258   1HG   GLN  30          1HG       GLN  30   4.642 -11.017   2.474
  259   2HG   GLN  30          2HG       GLN  30   3.798 -11.410   3.979
  260   1HE2  GLN  30          1HE2      GLN  30   1.486 -12.176   3.799
  261   2HE2  GLN  30          2HE2      GLN  30   1.003 -12.921   2.280
  262    H    TYR  31           H        TYR  31   4.422  -7.076   1.894
  263    HA   TYR  31           HA       TYR  31   6.847  -8.191   0.762
  264   1HB   TYR  31          1HB       TYR  31   4.971  -7.136  -0.500
  265   2HB   TYR  31          2HB       TYR  31   5.432  -5.566   0.153
  266    HD1  TYR  31           1HD      TYR  31   6.782  -4.229  -1.245
  267    HD2  TYR  31           2HD      TYR  31   7.016  -8.502  -1.566
  268    HE1  TYR  31           1HE      TYR  31   8.428  -4.019  -3.126
  269    HE2  TYR  31           2HE      TYR  31   8.514  -8.254  -3.591
  270    HH   TYR  31           HH       TYR  31   9.686  -6.825  -4.901
  271    H    VAL  32           H        VAL  32   6.130  -5.395   2.735
  272    HA   VAL  32           HA       VAL  32   8.799  -4.371   2.535
  273    HB   VAL  32           HB       VAL  32   6.559  -3.113   2.719
  274   1HG1  VAL  32          1HG1      VAL  32   5.980  -4.312   4.918
  275   2HG1  VAL  32          2HG1      VAL  32   7.056  -3.167   5.725
  276   3HG1  VAL  32          3HG1      VAL  32   5.629  -2.588   4.829
  277   1HG2  VAL  32          1HG2      VAL  32   8.487  -1.748   2.675
  278   2HG2  VAL  32          2HG2      VAL  32   7.463  -1.150   3.971
  279   3HG2  VAL  32          3HG2      VAL  32   8.897  -2.097   4.382
  280    H    LYS  33           H        LYS  33   7.407  -6.646   4.608
  281    HA   LYS  33           HA       LYS  33   9.767  -6.509   6.462
  282   1HB   LYS  33          1HB       LYS  33   8.684  -7.743   8.055
  283   2HB   LYS  33          2HB       LYS  33   7.470  -6.632   7.444
  284   1HG   LYS  33          1HG       LYS  33   6.646  -8.612   5.979
  285   2HG   LYS  33          2HG       LYS  33   7.709  -9.632   6.954
  286   1HD   LYS  33          1HD       LYS  33   6.549  -8.923   9.015
  287   2HD   LYS  33          2HD       LYS  33   5.532  -7.809   8.081
  288   1HE   LYS  33          1HE       LYS  33   4.604  -9.734   6.809
  289   2HE   LYS  33          2HE       LYS  33   5.577 -10.840   7.795
  290   1HZ   LYS  33          1HZ       LYS  33   3.312 -10.629   8.663
  291   2HZ   LYS  33          2HZ       LYS  33   4.357 -10.020   9.756
  292   3HZ   LYS  33          3HZ       LYS  33   3.458  -9.009   8.832
  293    H    ASP  34           H        ASP  34   8.747  -8.021   3.671
  294    HA   ASP  34           HA       ASP  34  10.476 -10.394   3.764
  295   1HB   ASP  34          1HB       ASP  34   8.550  -9.187   1.925
  296   2HB   ASP  34          2HB       ASP  34  10.011  -9.509   1.064
  297    H    THR  35           H        THR  35  10.588  -7.256   2.055
  298    HA   THR  35           HA       THR  35  13.604  -7.324   2.033
  299    HB   THR  35           HB       THR  35  13.592  -6.388  -0.214
  300    HG1  THR  35           1HG      THR  35  10.823  -6.976  -0.292
  301   1HG2  THR  35          1HG2      THR  35  11.967  -8.965  -0.202
  302   2HG2  THR  35          2HG2      THR  35  12.954  -8.324  -1.531
  303   3HG2  THR  35          3HG2      THR  35  13.733  -8.859  -0.031
  304    H    GLY  36           H        GLY  36  10.651  -5.489   2.296
  305   1HA   GLY  36          1HA       GLY  36  10.430  -3.340   3.292
  306   2HA   GLY  36          2HA       GLY  36  12.134  -3.032   3.065
  307    H    ASN  37           H        ASN  37  11.448  -4.242   0.133
  308    HA   ASN  37           HA       ASN  37  11.715  -1.652  -1.004
  309   1HB   ASN  37          1HB       ASN  37  11.059  -4.359  -2.232
  310   2HB   ASN  37          2HB       ASN  37  11.477  -2.942  -3.173
  311   1HD2  ASN  37          1HD2      ASN  37  12.921  -5.421  -3.197
  312   2HD2  ASN  37          2HD2      ASN  37  14.544  -5.013  -2.647
  313    H    ASP  38           H        ASP  38  10.389  -0.361  -2.283
  314    HA   ASP  38           HA       ASP  38   7.532  -0.419  -2.079
  315   1HB   ASP  38          1HB       ASP  38   8.965   1.560  -2.959
  316   2HB   ASP  38          2HB       ASP  38   9.123   0.694  -4.435
  317    HA   PRO  39           HA       PRO  39   6.957  -3.904  -4.913
  318   1HB   PRO  39          1HB       PRO  39   4.297  -3.758  -5.485
  319   2HB   PRO  39          2HB       PRO  39   4.938  -4.257  -3.894
  320   1HG   PRO  39          1HG       PRO  39   4.037  -1.479  -4.720
  321   2HG   PRO  39          2HG       PRO  39   3.505  -2.419  -3.287
  322   1HD   PRO  39          1HD       PRO  39   5.444  -0.580  -3.067
  323   2HD   PRO  39          2HD       PRO  39   5.612  -2.143  -2.220
  324    H    ILE  40           H        ILE  40   6.993  -0.619  -5.936
  325    HA   ILE  40           HA       ILE  40   6.603  -1.405  -8.807
  326    HB   ILE  40           HB       ILE  40   5.718   1.166  -7.473
  327   1HG1  ILE  40          1HG1      ILE  40   4.087  -0.572  -7.028
  328   2HG1  ILE  40          2HG1      ILE  40   3.454   0.593  -8.176
  329   1HG2  ILE  40          1HG2      ILE  40   6.556   1.760  -9.637
  330   2HG2  ILE  40          2HG2      ILE  40   5.709   0.412 -10.412
  331   3HG2  ILE  40          3HG2      ILE  40   4.797   1.771  -9.723
  332   1HD1  ILE  40          1HD1      ILE  40   2.792  -1.640  -8.838
  333   2HD1  ILE  40          2HD1      ILE  40   3.906  -0.991 -10.048
  334   3HD1  ILE  40          3HD1      ILE  40   4.478  -2.182  -8.860
  335    H    THR  41           H        THR  41   8.218   0.888  -6.527
  336    HA   THR  41           HA       THR  41  10.158   1.555  -8.690
  337    HB   THR  41           HB       THR  41  10.893   3.366  -7.146
  338    HG1  THR  41           1HG      THR  41   8.534   2.529  -5.875
  339   1HG2  THR  41          1HG2      THR  41   8.938   4.794  -7.522
  340   2HG2  THR  41          2HG2      THR  41   9.266   3.821  -8.967
  341   3HG2  THR  41          3HG2      THR  41   7.927   3.378  -7.885
  342    H    ASN  42           H        ASN  42   9.934  -0.643  -6.248
  343    HA   ASN  42           HA       ASN  42  11.155  -1.662  -4.765
  344   1HB   ASN  42          1HB       ASN  42  12.508  -3.187  -5.609
  345   2HB   ASN  42          2HB       ASN  42  11.768  -2.623  -7.097
  346   1HD2  ASN  42          1HD2      ASN  42  13.467  -0.222  -7.478
  347   2HD2  ASN  42          2HD2      ASN  42  15.062  -0.885  -7.839
  348    H    GLU  43           H        GLU  43  11.504   1.174  -4.474
  349    HA   GLU  43           HA       GLU  43  14.250   1.541  -3.494
  350   1HB   GLU  43          1HB       GLU  43  11.853   3.106  -2.528
  351   2HB   GLU  43          2HB       GLU  43  13.561   3.539  -2.431
  352   1HG   GLU  43          1HG       GLU  43  13.509   3.422  -5.034
  353   2HG   GLU  43          2HG       GLU  43  11.764   3.527  -4.859
  354    HA   PRO  44           HA       PRO  44  13.691  -0.859   0.202
  355   1HB   PRO  44          1HB       PRO  44  15.748   0.023   1.801
  356   2HB   PRO  44          2HB       PRO  44  15.970  -1.017   0.360
  357   1HG   PRO  44          1HG       PRO  44  16.257   1.999   0.541
  358   2HG   PRO  44          2HG       PRO  44  17.382   0.822  -0.212
  359   1HD   PRO  44          1HD       PRO  44  15.572   2.223  -1.681
  360   2HD   PRO  44          2HD       PRO  44  15.954   0.518  -2.073
  361    H    LEU  45           H        LEU  45  12.250  -0.700   1.660
  362    HA   LEU  45           HA       LEU  45  10.893  -0.172   3.328
  363   1HB   LEU  45          1HB       LEU  45  12.580   2.270   3.835
  364   2HB   LEU  45          2HB       LEU  45  11.118   1.913   4.726
  365    HG   LEU  45           HG       LEU  45  13.317  -0.180   4.502
  366   1HD1  LEU  45          1HD1      LEU  45  14.372   1.856   5.393
  367   2HD1  LEU  45          2HD1      LEU  45  13.082   2.013   6.606
  368   3HD1  LEU  45          3HD1      LEU  45  14.200   0.628   6.658
  369   1HD2  LEU  45          1HD2      LEU  45  12.373  -0.966   6.631
  370   2HD2  LEU  45          2HD2      LEU  45  11.175   0.341   6.607
  371   3HD2  LEU  45          3HD2      LEU  45  11.132  -0.944   5.378
  372    H    SER  46           H        SER  46   8.970   0.855   3.637
  373    HA   SER  46           HA       SER  46   7.921   2.525   1.455
  374   1HB   SER  46          1HB       SER  46   7.862   0.031   0.817
  375   2HB   SER  46          2HB       SER  46   6.570  -0.102   2.005
  376    HG   SER  46           HG       SER  46   6.646   1.474  -0.354
  377    H    ILE  47           H        ILE  47   6.702   0.398   4.035
  378    HA   ILE  47           HA       ILE  47   4.722   1.935   4.965
  379    HB   ILE  47           HB       ILE  47   5.283  -0.443   5.364
  380   1HG1  ILE  47          1HG1      ILE  47   4.536   0.605   8.076
  381   2HG1  ILE  47          2HG1      ILE  47   3.516   1.033   6.700
  382   1HG2  ILE  47          1HG2      ILE  47   6.957   0.543   7.715
  383   2HG2  ILE  47          2HG2      ILE  47   6.598  -1.141   7.306
  384   3HG2  ILE  47          3HG2      ILE  47   7.603  -0.167   6.226
  385   1HD1  ILE  47          1HD1      ILE  47   3.317  -1.341   6.055
  386   2HD1  ILE  47          2HD1      ILE  47   4.311  -1.807   7.448
  387   3HD1  ILE  47          3HD1      ILE  47   2.713  -1.061   7.709
  388    H    GLU  48           H        GLU  48   7.997   2.547   5.675
  389    HA   GLU  48           HA       GLU  48   7.646   4.335   7.941
  390   1HB   GLU  48          1HB       GLU  48   9.877   3.994   5.899
  391   2HB   GLU  48          2HB       GLU  48   9.970   5.101   7.270
  392   1HG   GLU  48          1HG       GLU  48   9.608   2.082   7.509
  393   2HG   GLU  48          2HG       GLU  48  11.136   2.931   7.643
  394    H    GLU  49           H        GLU  49   6.759   4.510   4.712
  395    HA   GLU  49           HA       GLU  49   6.513   7.493   4.737
  396   1HB   GLU  49          1HB       GLU  49   7.437   5.643   2.495
  397   2HB   GLU  49          2HB       GLU  49   6.842   7.283   2.202
  398   1HG   GLU  49          1HG       GLU  49   8.596   8.216   3.661
  399   2HG   GLU  49          2HG       GLU  49   9.206   6.591   3.986
  400    H    ILE  50           H        ILE  50   4.750   4.926   5.166
  401    HA   ILE  50           HA       ILE  50   2.826   4.732   3.209
  402    HB   ILE  50           HB       ILE  50   3.300   3.237   5.118
  403   1HG1  ILE  50          1HG1      ILE  50   0.315   3.648   4.924
  404   2HG1  ILE  50          2HG1      ILE  50   1.282   3.109   3.545
  405   1HG2  ILE  50          1HG2      ILE  50   1.322   4.898   6.740
  406   2HG2  ILE  50          2HG2      ILE  50   2.217   3.458   7.267
  407   3HG2  ILE  50          3HG2      ILE  50   3.080   4.963   6.960
  408   1HD1  ILE  50          1HD1      ILE  50   2.093   1.174   4.751
  409   2HD1  ILE  50          2HD1      ILE  50   1.242   1.679   6.236
  410   3HD1  ILE  50          3HD1      ILE  50   0.328   1.202   4.812
  411    H    VAL  51           H        VAL  51   0.914   5.348   2.825
  412    HA   VAL  51           HA       VAL  51  -0.531   7.525   4.306
  413    HB   VAL  51           HB       VAL  51  -0.443   7.237   1.274
  414   1HG1  VAL  51          1HG1      VAL  51  -1.735   9.349   3.064
  415   2HG1  VAL  51          2HG1      VAL  51  -1.667   9.387   1.289
  416   3HG1  VAL  51          3HG1      VAL  51  -2.603   8.135   2.100
  417   1HG2  VAL  51          1HG2      VAL  51   0.831   9.337   3.076
  418   2HG2  VAL  51          2HG2      VAL  51   1.686   8.167   2.049
  419   3HG2  VAL  51          3HG2      VAL  51   0.716   9.434   1.302
  420    H    GLU  52           H        GLU  52  -2.004   6.189   5.373
  421    HA   GLU  52           HA       GLU  52  -3.481   4.110   3.881
  422   1HB   GLU  52          1HB       GLU  52  -2.844   3.696   6.180
  423   2HB   GLU  52          2HB       GLU  52  -3.788   5.085   6.739
  424   1HG   GLU  52          1HG       GLU  52  -5.855   4.048   6.180
  425   2HG   GLU  52          2HG       GLU  52  -5.088   2.854   5.145
  426    H    ILE  53           H        ILE  53  -5.394   4.255   2.927
  427    HA   ILE  53           HA       ILE  53  -6.676   6.878   2.595
  428    HB   ILE  53           HB       ILE  53  -7.145   4.105   1.442
  429   1HG1  ILE  53          1HG1      ILE  53  -6.761   5.345  -0.731
  430   2HG1  ILE  53          2HG1      ILE  53  -6.322   6.777   0.195
  431   1HG2  ILE  53          1HG2      ILE  53  -9.389   5.031   1.646
  432   2HG2  ILE  53          2HG2      ILE  53  -8.851   6.569   0.929
  433   3HG2  ILE  53          3HG2      ILE  53  -8.887   5.083  -0.035
  434   1HD1  ILE  53          1HD1      ILE  53  -4.406   5.452  -0.715
  435   2HD1  ILE  53          2HD1      ILE  53  -4.325   5.635   1.038
  436   3HD1  ILE  53          3HD1      ILE  53  -4.869   4.093   0.322
  437    H    VAL  54           H        VAL  54  -7.355   3.877   4.327
  438    HA   VAL  54           HA       VAL  54 -10.078   4.268   4.931
  439    HB   VAL  54           HB       VAL  54  -8.090   2.795   6.699
  440   1HG1  VAL  54          1HG1      VAL  54 -10.140   1.411   7.213
  441   2HG1  VAL  54          2HG1      VAL  54 -10.259   3.066   7.798
  442   3HG1  VAL  54          3HG1      VAL  54 -11.114   2.581   6.313
  443   1HG2  VAL  54          1HG2      VAL  54  -9.668   1.827   4.280
  444   2HG2  VAL  54          2HG2      VAL  54  -7.891   1.913   4.432
  445   3HG2  VAL  54          3HG2      VAL  54  -8.807   0.787   5.435
  446    HA   PRO  55           HA       PRO  55  -9.524   7.751   7.754
  447   1HB   PRO  55          1HB       PRO  55 -12.116   8.397   8.262
  448   2HB   PRO  55          2HB       PRO  55 -11.352   8.651   6.664
  449   1HG   PRO  55          1HG       PRO  55 -13.060   6.295   7.544
  450   2HG   PRO  55          2HG       PRO  55 -13.250   7.308   6.076
  451   1HD   PRO  55          1HD       PRO  55 -11.926   4.935   6.014
  452   2HD   PRO  55          2HD       PRO  55 -11.369   6.328   5.042
  453    H    SER  56           H        SER  56 -10.914   4.746   8.653
  454    HA   SER  56           HA       SER  56 -11.422   3.670  10.599
  455   1HB   SER  56          1HB       SER  56  -9.004   5.186  11.633
  456   2HB   SER  56          2HB       SER  56  -9.653   3.655  12.252
  457    HG   SER  56           HG       SER  56  -8.499   4.186   9.707
  Start of MODEL   19
    1    H    MET   1           H        MET   1  -5.855   2.527  -7.641
    2    HA   MET   1           HA       MET   1  -7.454   1.465  -6.142
    3   1HB   MET   1          1HB       MET   1  -8.281   0.998  -9.038
    4   2HB   MET   1          2HB       MET   1  -9.381   1.002  -7.654
    5   1HG   MET   1          1HG       MET   1  -7.719   3.366  -8.601
    6   2HG   MET   1          2HG       MET   1  -9.440   3.128  -8.876
    7   1HE   MET   1          1HE       MET   1  -8.108   5.770  -7.678
    8   2HE   MET   1          2HE       MET   1  -9.851   5.599  -7.984
    9   3HE   MET   1          3HE       MET   1  -9.278   6.179  -6.403
   10    H    LEU   2           H        LEU   2  -5.563  -0.653  -7.872
   11    HA   LEU   2           HA       LEU   2  -6.520  -2.941  -6.281
   12   1HB   LEU   2          1HB       LEU   2  -6.410  -4.545  -7.993
   13   2HB   LEU   2          2HB       LEU   2  -7.452  -3.265  -8.540
   14    HG   LEU   2           HG       LEU   2  -6.317  -3.981 -10.413
   15   1HD1  LEU   2          1HD1      LEU   2  -5.032  -2.151 -11.270
   16   2HD1  LEU   2          2HD1      LEU   2  -6.342  -1.510 -10.264
   17   3HD1  LEU   2          3HD1      LEU   2  -4.672  -1.555  -9.642
   18   1HD2  LEU   2          1HD2      LEU   2  -4.530  -5.276  -9.340
   19   2HD2  LEU   2          2HD2      LEU   2  -3.960  -4.316 -10.713
   20   3HD2  LEU   2          3HD2      LEU   2  -3.611  -3.778  -9.067
   21    H    CYS   3           H        CYS   3  -4.974  -4.460  -5.625
   22    HA   CYS   3           HA       CYS   3  -2.730  -2.945  -4.792
   23   1HB   CYS   3          1HB       CYS   3  -3.954  -4.442  -3.335
   24   2HB   CYS   3          2HB       CYS   3  -3.664  -5.781  -4.408
   25    HG   CYS   3           HG       CYS   3  -2.380  -6.203  -2.231
   26    H    ALA   4           H        ALA   4  -0.696  -3.122  -5.038
   27    HA   ALA   4           HA       ALA   4   0.301  -4.066  -7.688
   28   1HB   ALA   4          1HB       ALA   4   0.937  -1.803  -6.800
   29   2HB   ALA   4          2HB       ALA   4   1.911  -2.652  -5.568
   30   3HB   ALA   4          3HB       ALA   4   2.297  -2.843  -7.277
   31    H    ILE   5           H        ILE   5   0.294  -5.130  -4.396
   32    HA   ILE   5           HA       ILE   5   2.609  -6.930  -4.671
   33    HB   ILE   5           HB       ILE   5   0.609  -6.512  -2.412
   34   1HG1  ILE   5          1HG1      ILE   5   2.923  -6.041  -1.258
   35   2HG1  ILE   5          2HG1      ILE   5   3.505  -5.770  -2.889
   36   1HG2  ILE   5          1HG2      ILE   5   2.147  -8.154  -1.174
   37   2HG2  ILE   5          2HG2      ILE   5   1.225  -8.925  -2.464
   38   3HG2  ILE   5          3HG2      ILE   5   2.936  -8.510  -2.715
   39   1HD1  ILE   5          1HD1      ILE   5   1.771  -3.965  -3.149
   40   2HD1  ILE   5          2HD1      ILE   5   1.181  -4.331  -1.513
   41   3HD1  ILE   5          3HD1      ILE   5   2.812  -3.687  -1.750
   42    H    SER   6           H        SER   6  -0.957  -7.471  -4.369
   43    HA   SER   6           HA       SER   6  -0.541  -9.929  -6.023
   44   1HB   SER   6          1HB       SER   6  -0.758 -10.399  -3.522
   45   2HB   SER   6          2HB       SER   6  -2.483 -10.028  -3.758
   46    HG   SER   6           HG       SER   6  -1.973 -12.274  -3.996
   47    H    GLY   7           H        GLY   7  -2.609  -7.168  -5.495
   48   1HA   GLY   7          1HA       GLY   7  -3.847  -6.310  -7.362
   49   2HA   GLY   7          2HA       GLY   7  -3.900  -7.938  -7.989
   50    H    LYS   8           H        LYS   8  -4.598  -8.044  -4.858
   51    HA   LYS   8           HA       LYS   8  -7.408  -8.689  -5.181
   52   1HB   LYS   8          1HB       LYS   8  -7.299  -9.449  -3.002
   53   2HB   LYS   8          2HB       LYS   8  -5.613  -9.586  -3.551
   54   1HG   LYS   8          1HG       LYS   8  -4.964  -7.611  -2.329
   55   2HG   LYS   8          2HG       LYS   8  -6.624  -7.264  -1.845
   56   1HD   LYS   8          1HD       LYS   8  -5.115  -9.793  -1.086
   57   2HD   LYS   8          2HD       LYS   8  -5.231  -8.365  -0.067
   58   1HE   LYS   8          1HE       LYS   8  -7.598 -10.051  -0.982
   59   2HE   LYS   8          2HE       LYS   8  -6.789 -10.184   0.578
   60   1HZ   LYS   8          1HZ       LYS   8  -7.415  -7.847   1.023
   61   2HZ   LYS   8          2HZ       LYS   8  -8.249  -7.775  -0.383
   62   3HZ   LYS   8          3HZ       LYS   8  -8.736  -8.800   0.781
   63    H    VAL   9           H        VAL   9  -9.177  -7.771  -3.977
   64    HA   VAL   9           HA       VAL   9  -9.335  -4.854  -4.060
   65    HB   VAL   9           HB       VAL   9 -11.285  -6.126  -4.626
   66   1HG1  VAL   9          1HG1      VAL   9 -11.534  -7.069  -1.744
   67   2HG1  VAL   9          2HG1      VAL   9 -12.656  -7.360  -3.084
   68   3HG1  VAL   9          3HG1      VAL   9 -11.053  -8.097  -3.114
   69   1HG2  VAL   9          1HG2      VAL   9 -12.934  -4.904  -3.317
   70   2HG2  VAL   9          2HG2      VAL   9 -11.734  -4.562  -2.054
   71   3HG2  VAL   9          3HG2      VAL   9 -11.547  -3.869  -3.683
   72    HA   PRO  10           HA       PRO  10  -7.296  -4.827  -0.100
   73   1HB   PRO  10          1HB       PRO  10  -7.040  -2.168   0.370
   74   2HB   PRO  10          2HB       PRO  10  -6.152  -3.008  -0.938
   75   1HG   PRO  10          1HG       PRO  10  -8.724  -1.422  -1.199
   76   2HG   PRO  10          2HG       PRO  10  -7.229  -1.292  -2.184
   77   1HD   PRO  10          1HD       PRO  10  -9.365  -2.791  -2.978
   78   2HD   PRO  10          2HD       PRO  10  -7.683  -3.305  -3.306
   79    H    ARG  11           H        ARG  11  -8.109  -5.300   1.833
   80    HA   ARG  11           HA       ARG  11 -10.734  -4.491   2.863
   81   1HB   ARG  11          1HB       ARG  11  -8.281  -5.795   4.078
   82   2HB   ARG  11          2HB       ARG  11  -9.730  -5.476   5.014
   83   1HG   ARG  11          1HG       ARG  11 -10.974  -7.118   4.036
   84   2HG   ARG  11          2HG       ARG  11 -10.153  -7.014   2.482
   85   1HD   ARG  11          1HD       ARG  11  -9.784  -9.154   3.744
   86   2HD   ARG  11          2HD       ARG  11  -8.337  -8.344   3.181
   87    HE   ARG  11           HE       ARG  11  -9.241  -8.592   6.008
   88   1HH1  ARG  11          2HH2      ARG  11  -6.739  -7.367   3.850
   89   2HH1  ARG  11          1HH2      ARG  11  -5.558  -7.344   5.156
   90   1HH2  ARG  11          2HH1      ARG  11  -7.668  -8.469   7.577
   91   2HH2  ARG  11          1HH1      ARG  11  -6.064  -7.927   7.140
   92    H    ARG  12           H        ARG  12  -7.340  -3.547   3.454
   93    HA   ARG  12           HA       ARG  12  -8.274  -0.901   4.495
   94   1HB   ARG  12          1HB       ARG  12  -7.390  -2.260   6.304
   95   2HB   ARG  12          2HB       ARG  12  -5.913  -2.592   5.384
   96   1HG   ARG  12          1HG       ARG  12  -5.378  -0.201   5.355
   97   2HG   ARG  12          2HG       ARG  12  -6.880   0.178   6.181
   98   1HD   ARG  12          1HD       ARG  12  -4.809  -1.672   7.429
   99   2HD   ARG  12          2HD       ARG  12  -4.641   0.076   7.516
  100    HE   ARG  12           HE       ARG  12  -7.005  -1.419   8.609
  101   1HH1  ARG  12          2HH1      ARG  12  -4.668   1.250   9.070
  102   2HH1  ARG  12          1HH1      ARG  12  -5.534   1.735  10.511
  103   1HH2  ARG  12          2HH2      ARG  12  -7.917  -0.664  10.471
  104   2HH2  ARG  12          1HH2      ARG  12  -7.224   0.742  11.244
  105    HA   PRO  13           HA       PRO  13  -6.005  -0.130   0.560
  106   1HB   PRO  13          1HB       PRO  13  -7.122   2.399   0.143
  107   2HB   PRO  13          2HB       PRO  13  -7.755   0.855  -0.481
  108   1HG   PRO  13          1HG       PRO  13  -8.571   2.289   2.065
  109   2HG   PRO  13          2HG       PRO  13  -9.627   1.580   0.792
  110   1HD   PRO  13          1HD       PRO  13  -9.199   0.134   2.967
  111   2HD   PRO  13          2HD       PRO  13  -8.908  -0.640   1.365
  112    H    VAL  14           H        VAL  14  -4.142   0.524   0.569
  113    HA   VAL  14           HA       VAL  14  -3.158   2.842   2.183
  114    HB   VAL  14           HB       VAL  14  -2.889   0.267   3.097
  115   1HG1  VAL  14          1HG1      VAL  14  -1.402  -0.540   1.453
  116   2HG1  VAL  14          2HG1      VAL  14  -0.272   0.841   1.666
  117   3HG1  VAL  14          3HG1      VAL  14  -0.486  -0.337   2.948
  118   1HG2  VAL  14          1HG2      VAL  14  -2.578   2.088   4.489
  119   2HG2  VAL  14          2HG2      VAL  14  -1.106   1.158   4.577
  120   3HG2  VAL  14          3HG2      VAL  14  -1.131   2.655   3.604
  121    H    LEU  15           H        LEU  15  -1.362   3.903   1.422
  122    HA   LEU  15           HA       LEU  15  -0.366   3.200  -1.316
  123   1HB   LEU  15          1HB       LEU  15  -2.146   4.746  -1.494
  124   2HB   LEU  15          2HB       LEU  15  -1.541   5.789  -0.223
  125    HG   LEU  15           HG       LEU  15   0.140   5.425  -2.714
  126   1HD1  LEU  15          1HD1      LEU  15  -2.309   7.229  -2.484
  127   2HD1  LEU  15          2HD1      LEU  15  -1.094   7.286  -3.786
  128   3HD1  LEU  15          3HD1      LEU  15  -2.109   5.856  -3.589
  129   1HD2  LEU  15          1HD2      LEU  15   0.746   7.752  -2.284
  130   2HD2  LEU  15          2HD2      LEU  15  -0.469   7.881  -0.998
  131   3HD2  LEU  15          3HD2      LEU  15   0.955   6.860  -0.774
  132    H    SER  16           H        SER  16   1.626   4.088  -1.908
  133    HA   SER  16           HA       SER  16   3.382   5.307   0.156
  134   1HB   SER  16          1HB       SER  16   4.117   2.969  -0.095
  135   2HB   SER  16          2HB       SER  16   4.174   3.176  -1.861
  136    HG   SER  16           HG       SER  16   6.185   3.448  -1.120
  137    HA   PRO  17           HA       PRO  17   3.226   8.283  -3.135
  138   1HB   PRO  17          1HB       PRO  17   5.272   9.996  -2.476
  139   2HB   PRO  17          2HB       PRO  17   3.742   9.868  -1.560
  140   1HG   PRO  17          1HG       PRO  17   6.387   8.496  -0.959
  141   2HG   PRO  17          2HG       PRO  17   5.352   9.440   0.162
  142   1HD   PRO  17          1HD       PRO  17   5.223   6.740   0.074
  143   2HD   PRO  17          2HD       PRO  17   3.735   7.715   0.266
  144    H    LYS  18           H        LYS  18   5.797   6.126  -2.871
  145    HA   LYS  18           HA       LYS  18   7.415   6.993  -5.191
  146   1HB   LYS  18          1HB       LYS  18   7.410   4.616  -3.330
  147   2HB   LYS  18          2HB       LYS  18   8.422   4.645  -4.772
  148   1HG   LYS  18          1HG       LYS  18   9.819   6.293  -3.987
  149   2HG   LYS  18          2HG       LYS  18   8.604   7.033  -2.938
  150   1HD   LYS  18          1HD       LYS  18   9.643   4.246  -2.374
  151   2HD   LYS  18          2HD       LYS  18  10.540   5.674  -1.820
  152   1HE   LYS  18          1HE       LYS  18   8.895   6.315  -0.315
  153   2HE   LYS  18          2HE       LYS  18   7.594   5.594  -1.269
  154   1HZ   LYS  18          1HZ       LYS  18   8.307   3.407  -0.588
  155   2HZ   LYS  18          2HZ       LYS  18   9.538   3.988   0.319
  156   3HZ   LYS  18          3HZ       LYS  18   7.975   4.313   0.718
  157    H    SER  19           H        SER  19   5.525   3.948  -4.610
  158    HA   SER  19           HA       SER  19   5.126   3.412  -7.396
  159   1HB   SER  19          1HB       SER  19   3.546   2.492  -4.962
  160   2HB   SER  19          2HB       SER  19   3.468   1.791  -6.588
  161    HG   SER  19           HG       SER  19   5.602   1.810  -4.726
  162    H    ARG  20           H        ARG  20   3.266   5.209  -4.993
  163    HA   ARG  20           HA       ARG  20   1.441   6.502  -4.970
  164   1HB   ARG  20          1HB       ARG  20   2.881   7.586  -6.794
  165   2HB   ARG  20          2HB       ARG  20   1.722   6.934  -7.953
  166   1HG   ARG  20          1HG       ARG  20  -0.082   8.277  -6.927
  167   2HG   ARG  20          2HG       ARG  20   0.990   8.747  -5.601
  168   1HD   ARG  20          1HD       ARG  20   0.829  10.582  -7.176
  169   2HD   ARG  20          2HD       ARG  20   2.470   9.920  -7.198
  170    HE   ARG  20           HE       ARG  20   0.677   8.788  -9.233
  171   1HH1  ARG  20          2HH2      ARG  20   2.912  11.423  -8.683
  172   2HH1  ARG  20          1HH2      ARG  20   3.215  11.633 -10.389
  173   1HH2  ARG  20          2HH1      ARG  20   1.108   9.093 -11.369
  174   2HH2  ARG  20          1HH1      ARG  20   2.201  10.354 -11.865
  175    H    THR  21           H        THR  21   1.260   3.551  -6.222
  176    HA   THR  21           HA       THR  21  -1.488   3.359  -7.114
  177    HB   THR  21           HB       THR  21  -0.976   0.950  -6.972
  178    HG1  THR  21           1HG      THR  21   0.379   0.951  -5.153
  179   1HG2  THR  21          1HG2      THR  21   1.524   2.266  -8.074
  180   2HG2  THR  21          2HG2      THR  21   0.700   0.798  -8.631
  181   3HG2  THR  21          3HG2      THR  21  -0.048   2.383  -8.919
  182    H    ILE  22           H        ILE  22  -2.874   1.603  -5.825
  183    HA   ILE  22           HA       ILE  22  -2.657   2.077  -2.879
  184    HB   ILE  22           HB       ILE  22  -5.212   1.827  -4.454
  185   1HG1  ILE  22          1HG1      ILE  22  -4.089   4.247  -2.958
  186   2HG1  ILE  22          2HG1      ILE  22  -4.104   4.073  -4.712
  187   1HG2  ILE  22          1HG2      ILE  22  -6.323   2.202  -2.278
  188   2HG2  ILE  22          2HG2      ILE  22  -5.300   0.781  -2.184
  189   3HG2  ILE  22          3HG2      ILE  22  -4.740   2.309  -1.474
  190   1HD1  ILE  22          1HD1      ILE  22  -6.547   4.335  -2.936
  191   2HD1  ILE  22          2HD1      ILE  22  -5.921   5.493  -4.114
  192   3HD1  ILE  22          3HD1      ILE  22  -6.596   3.950  -4.674
  193    H    PHE  23           H        PHE  23  -2.157   0.341  -1.926
  194    HA   PHE  23           HA       PHE  23  -2.972  -2.346  -2.939
  195   1HB   PHE  23          1HB       PHE  23  -0.820  -2.967  -1.408
  196   2HB   PHE  23          2HB       PHE  23  -0.844  -2.832  -3.153
  197    HD1  PHE  23           1HD      PHE  23   0.718  -1.554  -4.202
  198    HD2  PHE  23           2HD      PHE  23  -0.101  -0.935  -0.132
  199    HE1  PHE  23           1HE      PHE  23   2.433   0.249  -4.210
  200    HE2  PHE  23           2HE      PHE  23   1.518   1.065  -0.088
  201    HZ   PHE  23           HZ       PHE  23   2.795   1.591  -2.150
  202    H    GLU  24           H        GLU  24  -2.936  -3.986  -1.237
  203    HA   GLU  24           HA       GLU  24  -4.747  -3.286   0.934
  204   1HB   GLU  24          1HB       GLU  24  -4.863  -5.433  -0.241
  205   2HB   GLU  24          2HB       GLU  24  -3.163  -5.691   0.113
  206   1HG   GLU  24          1HG       GLU  24  -4.380  -7.128   1.575
  207   2HG   GLU  24          2HG       GLU  24  -3.743  -5.842   2.565
  208    H    LYS  25           H        LYS  25  -4.092  -2.839   3.097
  209    HA   LYS  25           HA       LYS  25  -1.411  -2.044   3.683
  210   1HB   LYS  25          1HB       LYS  25  -3.485  -1.267   4.797
  211   2HB   LYS  25          2HB       LYS  25  -3.557  -2.784   5.695
  212   1HG   LYS  25          1HG       LYS  25  -1.035  -1.077   5.742
  213   2HG   LYS  25          2HG       LYS  25  -2.444  -0.575   6.668
  214   1HD   LYS  25          1HD       LYS  25  -2.453  -2.743   7.884
  215   2HD   LYS  25          2HD       LYS  25  -0.965  -3.211   7.030
  216   1HE   LYS  25          1HE       LYS  25   0.203  -1.243   7.940
  217   2HE   LYS  25          2HE       LYS  25  -1.281  -0.707   8.740
  218   1HZ   LYS  25          1HZ       LYS  25   0.176  -1.900  10.274
  219   2HZ   LYS  25          2HZ       LYS  25  -1.213  -2.740  10.084
  220   3HZ   LYS  25          3HZ       LYS  25   0.159  -3.245   9.345
  221    H    SER  26           H        SER  26  -3.211  -4.985   4.361
  222    HA   SER  26           HA       SER  26  -1.222  -6.355   5.787
  223   1HB   SER  26          1HB       SER  26  -3.330  -7.661   4.031
  224   2HB   SER  26          2HB       SER  26  -2.502  -8.387   5.414
  225    HG   SER  26           HG       SER  26  -3.477  -6.748   6.734
  226    H    LEU  27           H        LEU  27  -1.770  -6.367   2.169
  227    HA   LEU  27           HA       LEU  27   0.273  -8.355   1.727
  228   1HB   LEU  27          1HB       LEU  27  -1.030  -6.401  -0.202
  229   2HB   LEU  27          2HB       LEU  27  -0.034  -7.772  -0.590
  230    HG   LEU  27           HG       LEU  27  -2.895  -7.676  -0.131
  231   1HD1  LEU  27          1HD1      LEU  27  -1.770  -8.405  -2.139
  232   2HD1  LEU  27          2HD1      LEU  27  -1.077  -9.784  -1.243
  233   3HD1  LEU  27          3HD1      LEU  27  -2.835  -9.669  -1.484
  234   1HD2  LEU  27          1HD2      LEU  27  -3.175  -9.920   0.819
  235   2HD2  LEU  27          2HD2      LEU  27  -1.469  -9.900   1.320
  236   3HD2  LEU  27          3HD2      LEU  27  -2.648  -8.728   1.989
  237    H    LEU  28           H        LEU  28   0.189  -4.780   1.660
  238    HA   LEU  28           HA       LEU  28   2.871  -4.441   0.634
  239   1HB   LEU  28          1HB       LEU  28   1.308  -2.539   0.791
  240   2HB   LEU  28          2HB       LEU  28   1.390  -2.627   2.550
  241    HG   LEU  28           HG       LEU  28   3.975  -2.325   2.297
  242   1HD1  LEU  28          1HD1      LEU  28   4.690  -1.133   0.248
  243   2HD1  LEU  28          2HD1      LEU  28   4.250  -2.810  -0.063
  244   3HD1  LEU  28          3HD1      LEU  28   3.129  -1.506  -0.505
  245   1HD2  LEU  28          1HD2      LEU  28   2.654  -0.623   3.204
  246   2HD2  LEU  28          2HD2      LEU  28   3.733   0.130   2.017
  247   3HD2  LEU  28          3HD2      LEU  28   2.021  -0.147   1.623
  248    H    GLU  29           H        GLU  29   1.466  -4.737   3.935
  249    HA   GLU  29           HA       GLU  29   3.814  -4.540   5.482
  250   1HB   GLU  29          1HB       GLU  29   1.551  -4.513   6.388
  251   2HB   GLU  29          2HB       GLU  29   1.390  -6.251   6.080
  252   1HG   GLU  29          1HG       GLU  29   3.265  -6.689   7.646
  253   2HG   GLU  29          2HG       GLU  29   3.461  -4.952   7.901
  254    H    GLN  30           H        GLN  30   2.522  -7.388   3.801
  255    HA   GLN  30           HA       GLN  30   4.489  -9.286   4.717
  256   1HB   GLN  30          1HB       GLN  30   2.271  -9.703   3.481
  257   2HB   GLN  30          2HB       GLN  30   3.134  -9.331   1.992
  258   1HG   GLN  30          1HG       GLN  30   4.760 -11.144   2.458
  259   2HG   GLN  30          2HG       GLN  30   3.932 -11.509   3.975
  260   1HE2  GLN  30          2HE2      GLN  30   1.825 -12.598   3.889
  261   2HE2  GLN  30          1HE2      GLN  30   1.296 -13.320   2.374
  262    H    TYR  31           H        TYR  31   4.397  -7.168   1.825
  263    HA   TYR  31           HA       TYR  31   6.873  -8.212   0.725
  264   1HB   TYR  31          1HB       TYR  31   4.995  -7.206  -0.583
  265   2HB   TYR  31          2HB       TYR  31   5.395  -5.629   0.091
  266    HD1  TYR  31           1HD      TYR  31   6.718  -4.243  -1.287
  267    HD2  TYR  31           2HD      TYR  31   7.138  -8.507  -1.586
  268    HE1  TYR  31           1HE      TYR  31   8.434  -3.965  -3.088
  269    HE2  TYR  31           2HE      TYR  31   8.720  -8.202  -3.524
  270    HH   TYR  31           HH       TYR  31   9.898  -6.731  -4.785
  271    H    VAL  32           H        VAL  32   6.042  -5.451   2.703
  272    HA   VAL  32           HA       VAL  32   8.668  -4.333   2.563
  273    HB   VAL  32           HB       VAL  32   6.405  -3.151   2.765
  274   1HG1  VAL  32          1HG1      VAL  32   6.782  -3.317   5.771
  275   2HG1  VAL  32          2HG1      VAL  32   5.349  -2.834   4.819
  276   3HG1  VAL  32          3HG1      VAL  32   5.850  -4.518   4.883
  277   1HG2  VAL  32          1HG2      VAL  32   8.627  -2.171   4.618
  278   2HG2  VAL  32          2HG2      VAL  32   8.359  -1.752   2.906
  279   3HG2  VAL  32          3HG2      VAL  32   7.212  -1.229   4.134
  280    H    LYS  33           H        LYS  33   7.276  -6.646   4.633
  281    HA   LYS  33           HA       LYS  33   9.577  -6.480   6.558
  282   1HB   LYS  33          1HB       LYS  33   8.519  -7.873   8.024
  283   2HB   LYS  33          2HB       LYS  33   7.223  -6.854   7.405
  284   1HG   LYS  33          1HG       LYS  33   6.641  -8.764   5.819
  285   2HG   LYS  33          2HG       LYS  33   7.809  -9.768   6.675
  286   1HD   LYS  33          1HD       LYS  33   5.381  -8.407   7.929
  287   2HD   LYS  33          2HD       LYS  33   5.455 -10.098   7.421
  288   1HE   LYS  33          1HE       LYS  33   7.323 -10.498   9.015
  289   2HE   LYS  33          2HE       LYS  33   7.221  -8.817   9.552
  290   1HZ   LYS  33          1HZ       LYS  33   5.036 -10.816   9.816
  291   2HZ   LYS  33          2HZ       LYS  33   5.985 -10.280  11.034
  292   3HZ   LYS  33          3HZ       LYS  33   4.946  -9.256  10.306
  293    H    ASP  34           H        ASP  34   8.735  -7.996   3.681
  294    HA   ASP  34           HA       ASP  34  10.612 -10.244   3.770
  295   1HB   ASP  34          1HB       ASP  34   8.660  -9.129   1.912
  296   2HB   ASP  34          2HB       ASP  34  10.156  -9.346   1.074
  297    H    THR  35           H        THR  35  10.599  -7.106   2.069
  298    HA   THR  35           HA       THR  35  13.614  -7.003   2.132
  299    HB   THR  35           HB       THR  35  13.597  -6.059  -0.124
  300    HG1  THR  35           1HG      THR  35  10.878  -6.830  -0.260
  301   1HG2  THR  35          1HG2      THR  35  13.900  -8.509   0.076
  302   2HG2  THR  35          2HG2      THR  35  12.152  -8.739  -0.123
  303   3HG2  THR  35          3HG2      THR  35  13.111  -8.032  -1.441
  304    H    GLY  36           H        GLY  36  10.575  -5.333   2.389
  305   1HA   GLY  36          1HA       GLY  36  10.189  -3.233   3.321
  306   2HA   GLY  36          2HA       GLY  36  11.888  -2.818   3.211
  307    H    ASN  37           H        ASN  37  11.340  -4.023   0.208
  308    HA   ASN  37           HA       ASN  37  11.545  -1.422  -0.990
  309   1HB   ASN  37          1HB       ASN  37  10.966  -4.211  -2.085
  310   2HB   ASN  37          2HB       ASN  37  11.309  -2.822  -3.085
  311   1HD2  ASN  37          1HD2      ASN  37  12.856  -5.153  -3.220
  312   2HD2  ASN  37          2HD2      ASN  37  14.464  -4.722  -2.646
  313    H    ASP  38           H        ASP  38  10.142  -0.216  -2.246
  314    HA   ASP  38           HA       ASP  38   7.271  -0.538  -2.020
  315   1HB   ASP  38          1HB       ASP  38   9.101   1.308  -3.440
  316   2HB   ASP  38          2HB       ASP  38   7.755   0.847  -4.430
  317    HA   PRO  39           HA       PRO  39   6.858  -3.964  -4.771
  318   1HB   PRO  39          1HB       PRO  39   4.265  -3.800  -5.628
  319   2HB   PRO  39          2HB       PRO  39   4.745  -4.170  -3.945
  320   1HG   PRO  39          1HG       PRO  39   3.987  -1.463  -5.101
  321   2HG   PRO  39          2HG       PRO  39   3.328  -2.262  -3.635
  322   1HD   PRO  39          1HD       PRO  39   5.281  -0.427  -3.434
  323   2HD   PRO  39          2HD       PRO  39   5.326  -1.905  -2.419
  324    H    ILE  40           H        ILE  40   6.918  -0.854  -6.168
  325    HA   ILE  40           HA       ILE  40   6.988  -2.001  -8.954
  326    HB   ILE  40           HB       ILE  40   5.560   0.474  -7.973
  327   1HG1  ILE  40          1HG1      ILE  40   4.505  -1.610  -9.918
  328   2HG1  ILE  40          2HG1      ILE  40   4.514  -1.971  -8.200
  329   1HG2  ILE  40          1HG2      ILE  40   6.789   1.249  -9.929
  330   2HG2  ILE  40          2HG2      ILE  40   6.310  -0.192 -10.855
  331   3HG2  ILE  40          3HG2      ILE  40   5.109   1.023 -10.385
  332   1HD1  ILE  40          1HD1      ILE  40   3.143  -0.096  -7.660
  333   2HD1  ILE  40          2HD1      ILE  40   3.169   0.495  -9.340
  334   3HD1  ILE  40          3HD1      ILE  40   2.363  -1.035  -8.950
  335    H    THR  41           H        THR  41   8.097   0.729  -6.872
  336    HA   THR  41           HA       THR  41  10.189   1.405  -8.840
  337    HB   THR  41           HB       THR  41  10.907   3.108  -7.212
  338    HG1  THR  41           1HG      THR  41   8.551   2.278  -5.950
  339   1HG2  THR  41          1HG2      THR  41   7.925   3.189  -7.878
  340   2HG2  THR  41          2HG2      THR  41   8.955   4.570  -7.443
  341   3HG2  THR  41          3HG2      THR  41   9.244   3.689  -8.957
  342    H    ASN  42           H        ASN  42   9.876  -0.829  -6.272
  343    HA   ASN  42           HA       ASN  42  11.070  -1.762  -4.770
  344   1HB   ASN  42          1HB       ASN  42  12.765  -3.134  -5.490
  345   2HB   ASN  42          2HB       ASN  42  11.645  -2.976  -6.817
  346   1HD2  ASN  42          1HD2      ASN  42  14.710  -1.485  -5.650
  347   2HD2  ASN  42          2HD2      ASN  42  15.419  -1.372  -7.269
  348    H    GLU  43           H        GLU  43  11.290   1.116  -4.681
  349    HA   GLU  43           HA       GLU  43  13.878   1.853  -3.646
  350   1HB   GLU  43          1HB       GLU  43  11.073   2.907  -3.322
  351   2HB   GLU  43          2HB       GLU  43  12.471   3.710  -2.600
  352   1HG   GLU  43          1HG       GLU  43  12.674   3.058  -5.535
  353   2HG   GLU  43          2HG       GLU  43  11.461   4.219  -5.075
  354    HA   PRO  44           HA       PRO  44  13.526  -0.677   0.096
  355   1HB   PRO  44          1HB       PRO  44  15.717   1.188   1.014
  356   2HB   PRO  44          2HB       PRO  44  15.598  -0.589   1.187
  357   1HG   PRO  44          1HG       PRO  44  17.151   0.486  -0.750
  358   2HG   PRO  44          2HG       PRO  44  16.097  -0.918  -1.131
  359   1HD   PRO  44          1HD       PRO  44  15.602   2.014  -1.698
  360   2HD   PRO  44          2HD       PRO  44  15.356   0.589  -2.753
  361    H    LEU  45           H        LEU  45  12.151  -0.509   1.653
  362    HA   LEU  45           HA       LEU  45  10.983   0.024   3.455
  363   1HB   LEU  45          1HB       LEU  45  12.681   2.512   3.698
  364   2HB   LEU  45          2HB       LEU  45  11.260   2.209   4.681
  365    HG   LEU  45           HG       LEU  45  12.275   0.024   5.430
  366   1HD1  LEU  45          1HD1      LEU  45  13.996  -0.399   3.755
  367   2HD1  LEU  45          2HD1      LEU  45  14.775   1.166   4.101
  368   3HD1  LEU  45          3HD1      LEU  45  14.777  -0.138   5.309
  369   1HD2  LEU  45          1HD2      LEU  45  13.763   1.097   7.058
  370   2HD2  LEU  45          2HD2      LEU  45  13.832   2.559   6.051
  371   3HD2  LEU  45          3HD2      LEU  45  12.302   2.057   6.809
  372    H    SER  46           H        SER  46   9.035   0.880   3.875
  373    HA   SER  46           HA       SER  46   7.718   2.547   1.819
  374   1HB   SER  46          1HB       SER  46   7.745  -0.065   1.364
  375   2HB   SER  46          2HB       SER  46   6.363  -0.015   2.453
  376    HG   SER  46           HG       SER  46   6.700   1.431   0.005
  377    H    ILE  47           H        ILE  47   7.168   0.568   4.694
  378    HA   ILE  47           HA       ILE  47   5.029   2.001   5.713
  379    HB   ILE  47           HB       ILE  47   7.044   0.183   7.002
  380   1HG1  ILE  47          1HG1      ILE  47   5.303  -0.692   5.422
  381   2HG1  ILE  47          2HG1      ILE  47   5.330  -1.452   7.012
  382   1HG2  ILE  47          1HG2      ILE  47   4.745   1.472   8.512
  383   2HG2  ILE  47          2HG2      ILE  47   5.619   0.014   9.039
  384   3HG2  ILE  47          3HG2      ILE  47   6.482   1.547   8.887
  385   1HD1  ILE  47          1HD1      ILE  47   3.313   0.662   6.137
  386   2HD1  ILE  47          2HD1      ILE  47   3.039  -1.087   6.129
  387   3HD1  ILE  47          3HD1      ILE  47   3.301  -0.247   7.666
  388    H    GLU  48           H        GLU  48   8.390   2.915   6.078
  389    HA   GLU  48           HA       GLU  48   8.028   4.963   7.976
  390   1HB   GLU  48          1HB       GLU  48  10.188   4.855   7.803
  391   2HB   GLU  48          2HB       GLU  48  10.064   3.516   6.750
  392   1HG   GLU  48          1HG       GLU  48  10.209   4.846   4.782
  393   2HG   GLU  48          2HG       GLU  48  10.258   6.363   5.708
  394    H    GLU  49           H        GLU  49   6.871   4.610   4.820
  395    HA   GLU  49           HA       GLU  49   6.467   7.564   4.461
  396   1HB   GLU  49          1HB       GLU  49   7.225   5.463   2.395
  397   2HB   GLU  49          2HB       GLU  49   6.594   7.044   1.948
  398   1HG   GLU  49          1HG       GLU  49   9.172   6.515   3.458
  399   2HG   GLU  49          2HG       GLU  49   9.021   6.971   1.770
  400    H    ILE  50           H        ILE  50   4.927   4.960   5.324
  401    HA   ILE  50           HA       ILE  50   2.865   4.502   3.558
  402    HB   ILE  50           HB       ILE  50   3.539   3.203   5.582
  403   1HG1  ILE  50          1HG1      ILE  50   1.298   2.206   6.004
  404   2HG1  ILE  50          2HG1      ILE  50   0.577   3.486   5.027
  405   1HG2  ILE  50          1HG2      ILE  50   3.241   5.025   7.281
  406   2HG2  ILE  50          2HG2      ILE  50   1.484   4.824   7.118
  407   3HG2  ILE  50          3HG2      ILE  50   2.486   3.483   7.705
  408   1HD1  ILE  50          1HD1      ILE  50   1.117   1.221   3.884
  409   2HD1  ILE  50          2HD1      ILE  50   1.685   2.671   3.033
  410   3HD1  ILE  50          3HD1      ILE  50   2.814   1.684   3.989
  411    H    VAL  51           H        VAL  51   1.140   5.306   2.942
  412    HA   VAL  51           HA       VAL  51  -0.373   7.434   4.442
  413    HB   VAL  51           HB       VAL  51  -0.216   7.125   1.423
  414   1HG1  VAL  51          1HG1      VAL  51  -1.463   9.272   1.393
  415   2HG1  VAL  51          2HG1      VAL  51  -2.408   7.995   2.154
  416   3HG1  VAL  51          3HG1      VAL  51  -1.600   9.213   3.167
  417   1HG2  VAL  51          1HG2      VAL  51   0.967   9.262   3.241
  418   2HG2  VAL  51          2HG2      VAL  51   1.874   8.080   2.274
  419   3HG2  VAL  51          3HG2      VAL  51   0.924   9.324   1.464
  420    H    GLU  52           H        GLU  52  -1.781   6.025   5.538
  421    HA   GLU  52           HA       GLU  52  -3.287   4.018   3.996
  422   1HB   GLU  52          1HB       GLU  52  -4.336   4.826   6.655
  423   2HB   GLU  52          2HB       GLU  52  -4.199   3.237   5.887
  424   1HG   GLU  52          1HG       GLU  52  -1.781   3.189   6.437
  425   2HG   GLU  52          2HG       GLU  52  -1.925   4.768   7.217
  426    H    ILE  53           H        ILE  53  -5.225   4.211   3.044
  427    HA   ILE  53           HA       ILE  53  -6.348   6.901   2.659
  428    HB   ILE  53           HB       ILE  53  -6.995   4.141   1.598
  429   1HG1  ILE  53          1HG1      ILE  53  -6.611   5.263  -0.612
  430   2HG1  ILE  53          2HG1      ILE  53  -6.172   6.747   0.231
  431   1HG2  ILE  53          1HG2      ILE  53  -9.197   5.137   1.845
  432   2HG2  ILE  53          2HG2      ILE  53  -8.637   6.642   1.076
  433   3HG2  ILE  53          3HG2      ILE  53  -8.747   5.135   0.146
  434   1HD1  ILE  53          1HD1      ILE  53  -4.252   5.404  -0.633
  435   2HD1  ILE  53          2HD1      ILE  53  -4.159   5.683   1.108
  436   3HD1  ILE  53          3HD1      ILE  53  -4.682   4.096   0.486
  437    H    VAL  54           H        VAL  54  -7.180   4.036   4.545
  438    HA   VAL  54           HA       VAL  54  -9.812   4.850   5.345
  439    HB   VAL  54           HB       VAL  54  -9.628   3.218   7.148
  440   1HG1  VAL  54          1HG1      VAL  54 -10.132   2.463   4.833
  441   2HG1  VAL  54          2HG1      VAL  54  -8.405   2.107   4.591
  442   3HG1  VAL  54          3HG1      VAL  54  -9.338   1.224   5.816
  443   1HG2  VAL  54          1HG2      VAL  54  -6.724   2.784   6.325
  444   2HG2  VAL  54          2HG2      VAL  54  -7.262   3.538   7.842
  445   3HG2  VAL  54          3HG2      VAL  54  -7.657   1.857   7.525
  446    HA   PRO  55           HA       PRO  55  -8.819   7.867   8.540
  447   1HB   PRO  55          1HB       PRO  55 -11.092   7.876  10.043
  448   2HB   PRO  55          2HB       PRO  55 -11.031   8.529   8.379
  449   1HG   PRO  55          1HG       PRO  55 -11.981   5.785   9.264
  450   2HG   PRO  55          2HG       PRO  55 -12.801   6.939   8.166
  451   1HD   PRO  55          1HD       PRO  55 -11.288   4.871   7.231
  452   2HD   PRO  55          2HD       PRO  55 -11.336   6.452   6.396
  453    H    SER  56           H        SER  56  -9.802   4.587   9.379
  454    HA   SER  56           HA       SER  56  -8.965   4.575  12.157
  455   1HB   SER  56          1HB       SER  56  -9.280   2.108  11.880
  456   2HB   SER  56          2HB       SER  56 -10.680   3.068  11.385
  457    HG   SER  56           HG       SER  56 -10.196   1.469   9.835
  Start of MODEL   20
    1    H    MET   1           H        MET   1  -9.840   0.880  -6.536
    2    HA   MET   1           HA       MET   1  -8.108   0.476  -8.803
    3   1HB   MET   1          1HB       MET   1  -7.287   2.655  -7.909
    4   2HB   MET   1          2HB       MET   1  -6.914   1.876  -6.371
    5   1HG   MET   1          1HG       MET   1  -5.253   0.453  -7.435
    6   2HG   MET   1          2HG       MET   1  -5.709   1.042  -9.037
    7   1HE   MET   1          1HE       MET   1  -4.182   4.605  -9.184
    8   2HE   MET   1          2HE       MET   1  -5.017   3.300 -10.060
    9   3HE   MET   1          3HE       MET   1  -5.870   4.218  -8.791
   10    H    LEU   2           H        LEU   2  -6.556  -1.238  -8.442
   11    HA   LEU   2           HA       LEU   2  -7.033  -2.960  -6.053
   12   1HB   LEU   2          1HB       LEU   2  -6.651  -3.832  -8.954
   13   2HB   LEU   2          2HB       LEU   2  -6.787  -4.925  -7.581
   14    HG   LEU   2           HG       LEU   2  -9.009  -3.069  -8.544
   15   1HD1  LEU   2          1HD1      LEU   2 -10.071  -5.137  -9.347
   16   2HD1  LEU   2          2HD1      LEU   2  -8.505  -4.888 -10.137
   17   3HD1  LEU   2          3HD1      LEU   2  -8.660  -6.085  -8.831
   18   1HD2  LEU   2          1HD2      LEU   2  -9.009  -5.304  -6.466
   19   2HD2  LEU   2          2HD2      LEU   2  -9.214  -3.565  -6.134
   20   3HD2  LEU   2          3HD2      LEU   2 -10.445  -4.431  -7.057
   21    H    CYS   3           H        CYS   3  -5.449  -4.503  -5.502
   22    HA   CYS   3           HA       CYS   3  -3.159  -3.019  -4.942
   23   1HB   CYS   3          1HB       CYS   3  -4.181  -4.612  -3.412
   24   2HB   CYS   3          2HB       CYS   3  -4.034  -5.866  -4.599
   25    HG   CYS   3           HG       CYS   3  -2.478  -6.734  -2.952
   26    H    ALA   4           H        ALA   4  -1.220  -3.078  -5.433
   27    HA   ALA   4           HA       ALA   4  -0.485  -3.932  -8.205
   28   1HB   ALA   4          1HB       ALA   4   1.348  -2.456  -8.136
   29   2HB   ALA   4          2HB       ALA   4  -0.022  -1.587  -7.423
   30   3HB   ALA   4          3HB       ALA   4   1.271  -2.258  -6.390
   31    H    ILE   5           H        ILE   5  -0.007  -4.963  -5.003
   32    HA   ILE   5           HA       ILE   5   2.405  -6.591  -5.486
   33    HB   ILE   5           HB       ILE   5   0.556  -6.250  -3.096
   34   1HG1  ILE   5          1HG1      ILE   5   3.454  -5.390  -3.460
   35   2HG1  ILE   5          2HG1      ILE   5   2.075  -4.329  -3.778
   36   1HG2  ILE   5          1HG2      ILE   5   1.573  -8.573  -3.132
   37   2HG2  ILE   5          2HG2      ILE   5   3.177  -7.845  -3.322
   38   3HG2  ILE   5          3HG2      ILE   5   2.251  -7.600  -1.831
   39   1HD1  ILE   5          1HD1      ILE   5   1.284  -4.694  -1.424
   40   2HD1  ILE   5          2HD1      ILE   5   2.825  -5.541  -1.116
   41   3HD1  ILE   5          3HD1      ILE   5   2.821  -3.835  -1.574
   42    H    SER   6           H        SER   6  -1.105  -7.241  -4.837
   43    HA   SER   6           HA       SER   6  -0.779  -9.942  -6.105
   44   1HB   SER   6          1HB       SER   6  -2.551 -10.674  -4.566
   45   2HB   SER   6          2HB       SER   6  -1.095 -10.112  -3.730
   46    HG   SER   6           HG       SER   6  -3.004  -9.205  -2.817
   47    H    GLY   7           H        GLY   7  -2.886  -7.059  -5.909
   48   1HA   GLY   7          1HA       GLY   7  -4.574  -6.541  -7.552
   49   2HA   GLY   7          2HA       GLY   7  -4.621  -8.253  -7.929
   50    H    LYS   8           H        LYS   8  -4.548  -7.978  -4.661
   51    HA   LYS   8           HA       LYS   8  -7.151  -8.901  -4.014
   52   1HB   LYS   8          1HB       LYS   8  -5.048  -8.984  -2.617
   53   2HB   LYS   8          2HB       LYS   8  -5.165  -7.249  -2.375
   54   1HG   LYS   8          1HG       LYS   8  -5.965  -8.246  -0.401
   55   2HG   LYS   8          2HG       LYS   8  -7.431  -7.708  -1.226
   56   1HD   LYS   8          1HD       LYS   8  -7.833 -10.011  -2.036
   57   2HD   LYS   8          2HD       LYS   8  -6.276 -10.538  -1.363
   58   1HE   LYS   8          1HE       LYS   8  -7.067  -9.918   0.924
   59   2HE   LYS   8          2HE       LYS   8  -8.639  -9.467   0.247
   60   1HZ   LYS   8          1HZ       LYS   8  -8.886 -11.795  -0.496
   61   2HZ   LYS   8          2HZ       LYS   8  -7.443 -12.190   0.150
   62   3HZ   LYS   8          3HZ       LYS   8  -8.671 -11.734   1.120
   63    H    VAL   9           H        VAL   9  -9.037  -7.895  -3.607
   64    HA   VAL   9           HA       VAL   9  -9.537  -5.072  -4.167
   65    HB   VAL   9           HB       VAL   9 -11.330  -7.088  -2.762
   66   1HG1  VAL   9          1HG1      VAL   9 -13.137  -5.514  -3.396
   67   2HG1  VAL   9          2HG1      VAL   9 -11.987  -4.749  -2.298
   68   3HG1  VAL   9          3HG1      VAL   9 -11.932  -4.378  -4.040
   69   1HG2  VAL   9          1HG2      VAL   9 -11.285  -6.216  -5.681
   70   2HG2  VAL   9          2HG2      VAL   9 -10.827  -7.818  -5.071
   71   3HG2  VAL   9          3HG2      VAL   9 -12.497  -7.265  -4.921
   72    HA   PRO  10           HA       PRO  10  -7.399  -4.317  -0.296
   73   1HB   PRO  10          1HB       PRO  10  -8.372  -1.494  -0.646
   74   2HB   PRO  10          2HB       PRO  10  -6.733  -2.106  -0.251
   75   1HG   PRO  10          1HG       PRO  10  -7.307  -1.274  -2.763
   76   2HG   PRO  10          2HG       PRO  10  -6.351  -2.774  -2.502
   77   1HD   PRO  10          1HD       PRO  10  -9.318  -2.515  -3.074
   78   2HD   PRO  10          2HD       PRO  10  -8.119  -3.581  -3.841
   79    H    ARG  11           H        ARG  11  -8.113  -4.909   1.587
   80    HA   ARG  11           HA       ARG  11 -10.838  -4.391   2.633
   81   1HB   ARG  11          1HB       ARG  11  -8.468  -5.826   3.918
   82   2HB   ARG  11          2HB       ARG  11 -10.129  -5.800   4.504
   83   1HG   ARG  11          1HG       ARG  11  -9.094  -7.176   1.984
   84   2HG   ARG  11          2HG       ARG  11  -9.682  -7.925   3.470
   85   1HD   ARG  11          1HD       ARG  11 -11.925  -6.753   2.999
   86   2HD   ARG  11          2HD       ARG  11 -11.306  -6.410   1.383
   87    HE   ARG  11           HE       ARG  11 -12.121  -9.015   2.512
   88   1HH1  ARG  11          2HH2      ARG  11 -10.532  -7.541  -0.292
   89   2HH1  ARG  11          1HH2      ARG  11 -10.899  -8.947  -1.258
   90   1HH2  ARG  11          2HH1      ARG  11 -12.486 -10.708   1.196
   91   2HH2  ARG  11          1HH1      ARG  11 -11.950 -10.664  -0.458
   92    H    ARG  12           H        ARG  12  -7.438  -3.596   3.398
   93    HA   ARG  12           HA       ARG  12  -8.344  -1.016   4.610
   94   1HB   ARG  12          1HB       ARG  12  -7.543  -2.572   6.327
   95   2HB   ARG  12          2HB       ARG  12  -6.107  -2.914   5.377
   96   1HG   ARG  12          1HG       ARG  12  -5.343  -1.432   6.995
   97   2HG   ARG  12          2HG       ARG  12  -5.548  -0.424   5.566
   98   1HD   ARG  12          1HD       ARG  12  -6.455   0.895   7.273
   99   2HD   ARG  12          2HD       ARG  12  -7.868   0.171   6.502
  100    HE   ARG  12           HE       ARG  12  -8.399  -0.828   8.495
  101   1HH1  ARG  12          2HH2      ARG  12  -5.021   0.160   8.822
  102   2HH1  ARG  12          1HH2      ARG  12  -4.985  -0.382  10.484
  103   1HH2  ARG  12          2HH1      ARG  12  -8.212  -1.546  10.540
  104   2HH2  ARG  12          1HH1      ARG  12  -6.732  -1.299  11.429
  105    HA   PRO  13           HA       PRO  13  -6.011  -0.333   0.685
  106   1HB   PRO  13          1HB       PRO  13  -6.997   2.224   0.162
  107   2HB   PRO  13          2HB       PRO  13  -7.737   0.699  -0.376
  108   1HG   PRO  13          1HG       PRO  13  -8.386   2.294   2.118
  109   2HG   PRO  13          2HG       PRO  13  -9.529   1.618   0.906
  110   1HD   PRO  13          1HD       PRO  13  -9.150   0.222   3.125
  111   2HD   PRO  13          2HD       PRO  13  -8.940  -0.634   1.544
  112    H    VAL  14           H        VAL  14  -4.138   0.276   0.577
  113    HA   VAL  14           HA       VAL  14  -3.065   2.635   2.067
  114    HB   VAL  14           HB       VAL  14  -2.661   0.395   3.302
  115   1HG1  VAL  14          1HG1      VAL  14  -0.552  -0.756   2.701
  116   2HG1  VAL  14          2HG1      VAL  14  -1.762  -0.946   1.412
  117   3HG1  VAL  14          3HG1      VAL  14  -0.408   0.215   1.259
  118   1HG2  VAL  14          1HG2      VAL  14  -0.579   1.120   4.161
  119   2HG2  VAL  14          2HG2      VAL  14  -0.208   2.081   2.706
  120   3HG2  VAL  14          3HG2      VAL  14  -1.505   2.558   3.805
  121    H    LEU  15           H        LEU  15  -1.221   3.586   1.273
  122    HA   LEU  15           HA       LEU  15  -0.406   2.937  -1.531
  123   1HB   LEU  15          1HB       LEU  15  -2.173   4.543  -1.592
  124   2HB   LEU  15          2HB       LEU  15  -1.490   5.511  -0.302
  125    HG   LEU  15           HG       LEU  15   0.114   5.242  -2.841
  126   1HD1  LEU  15          1HD1      LEU  15  -2.295   7.080  -2.515
  127   2HD1  LEU  15          2HD1      LEU  15  -1.115   7.137  -3.837
  128   3HD1  LEU  15          3HD1      LEU  15  -2.164   5.724  -3.651
  129   1HD2  LEU  15          1HD2      LEU  15   0.951   6.588  -0.840
  130   2HD2  LEU  15          2HD2      LEU  15   0.760   7.536  -2.315
  131   3HD2  LEU  15          3HD2      LEU  15  -0.456   7.633  -1.023
  132    H    SER  16           H        SER  16   1.633   3.851  -2.113
  133    HA   SER  16           HA       SER  16   3.380   4.928   0.048
  134   1HB   SER  16          1HB       SER  16   4.263   2.767  -0.299
  135   2HB   SER  16          2HB       SER  16   4.153   2.912  -2.063
  136    HG   SER  16           HG       SER  16   6.285   3.339  -1.171
  137    HA   PRO  17           HA       PRO  17   3.245   8.421  -2.778
  138   1HB   PRO  17          1HB       PRO  17   5.883   9.042  -1.436
  139   2HB   PRO  17          2HB       PRO  17   4.524  10.146  -1.811
  140   1HG   PRO  17          1HG       PRO  17   4.820   9.180   0.693
  141   2HG   PRO  17          2HG       PRO  17   3.189   9.210  -0.057
  142   1HD   PRO  17          1HD       PRO  17   5.089   6.869   0.223
  143   2HD   PRO  17          2HD       PRO  17   3.319   6.953   0.479
  144    H    LYS  18           H        LYS  18   5.710   6.060  -2.949
  145    HA   LYS  18           HA       LYS  18   7.176   7.216  -5.259
  146   1HB   LYS  18          1HB       LYS  18   7.332   4.475  -3.910
  147   2HB   LYS  18          2HB       LYS  18   8.252   4.968  -5.326
  148   1HG   LYS  18          1HG       LYS  18   9.729   5.229  -3.598
  149   2HG   LYS  18          2HG       LYS  18   9.222   6.879  -3.947
  150   1HD   LYS  18          1HD       LYS  18   7.793   6.923  -1.961
  151   2HD   LYS  18          2HD       LYS  18   8.021   5.196  -1.698
  152   1HE   LYS  18          1HE       LYS  18  10.131   7.370  -1.416
  153   2HE   LYS  18          2HE       LYS  18   9.314   6.486  -0.114
  154   1HZ   LYS  18          1HZ       LYS  18  11.292   5.460  -2.043
  155   2HZ   LYS  18          2HZ       LYS  18  11.351   5.380  -0.404
  156   3HZ   LYS  18          3HZ       LYS  18  10.297   4.424  -1.247
  157    H    SER  19           H        SER  19   5.273   4.196  -4.788
  158    HA   SER  19           HA       SER  19   4.798   3.724  -7.556
  159   1HB   SER  19          1HB       SER  19   3.312   2.724  -5.092
  160   2HB   SER  19          2HB       SER  19   3.277   2.008  -6.708
  161    HG   SER  19           HG       SER  19   4.766   0.961  -5.287
  162    H    ARG  20           H        ARG  20   2.940   5.327  -5.019
  163    HA   ARG  20           HA       ARG  20   0.952   6.376  -4.856
  164   1HB   ARG  20          1HB       ARG  20   1.398   7.185  -7.748
  165   2HB   ARG  20          2HB       ARG  20   0.312   7.962  -6.587
  166   1HG   ARG  20          1HG       ARG  20   2.266   8.420  -5.092
  167   2HG   ARG  20          2HG       ARG  20   3.339   7.748  -6.329
  168   1HD   ARG  20          1HD       ARG  20   2.579   9.490  -7.922
  169   2HD   ARG  20          2HD       ARG  20   1.582  10.202  -6.630
  170    HE   ARG  20           HE       ARG  20   4.284   9.846  -5.717
  171   1HH1  ARG  20          2HH2      ARG  20   2.532  12.014  -7.837
  172   2HH1  ARG  20          1HH2      ARG  20   3.687  13.302  -7.612
  173   1HH2  ARG  20          2HH1      ARG  20   5.682  11.487  -5.461
  174   2HH2  ARG  20          1HH1      ARG  20   5.443  13.003  -6.292
  175    H    THR  21           H        THR  21   1.008   3.558  -6.126
  176    HA   THR  21           HA       THR  21  -1.666   3.137  -7.173
  177    HB   THR  21           HB       THR  21  -0.956   0.748  -6.849
  178    HG1  THR  21           1HG      THR  21   0.446   0.963  -5.103
  179   1HG2  THR  21          1HG2      THR  21  -0.300   2.050  -8.939
  180   2HG2  THR  21          2HG2      THR  21   1.283   2.341  -8.163
  181   3HG2  THR  21          3HG2      THR  21   0.756   0.687  -8.526
  182    H    ILE  22           H        ILE  22  -3.101   1.425  -5.889
  183    HA   ILE  22           HA       ILE  22  -2.848   1.845  -2.946
  184    HB   ILE  22           HB       ILE  22  -5.414   1.678  -4.496
  185   1HG1  ILE  22          1HG1      ILE  22  -4.202   4.053  -2.997
  186   2HG1  ILE  22          2HG1      ILE  22  -4.290   3.905  -4.751
  187   1HG2  ILE  22          1HG2      ILE  22  -6.499   2.027  -2.309
  188   2HG2  ILE  22          2HG2      ILE  22  -5.477   0.602  -2.230
  189   3HG2  ILE  22          3HG2      ILE  22  -4.910   2.124  -1.517
  190   1HD1  ILE  22          1HD1      ILE  22  -6.658   4.202  -2.877
  191   2HD1  ILE  22          2HD1      ILE  22  -6.042   5.360  -4.062
  192   3HD1  ILE  22          3HD1      ILE  22  -6.781   3.847  -4.621
  193    H    PHE  23           H        PHE  23  -2.348   0.093  -2.055
  194    HA   PHE  23           HA       PHE  23  -3.269  -2.547  -3.063
  195   1HB   PHE  23          1HB       PHE  23  -1.031  -3.272  -1.677
  196   2HB   PHE  23          2HB       PHE  23  -1.153  -3.086  -3.421
  197    HD1  PHE  23           1HD      PHE  23   0.751  -2.184  -4.329
  198    HD2  PHE  23           2HD      PHE  23  -0.588  -0.894  -0.558
  199    HE1  PHE  23           1HE      PHE  23   2.440  -0.386  -4.436
  200    HE2  PHE  23           2HE      PHE  23   1.084   1.025  -0.581
  201    HZ   PHE  23           HZ       PHE  23   2.612   1.254  -2.549
  202    H    GLU  24           H        GLU  24  -3.132  -4.236  -1.370
  203    HA   GLU  24           HA       GLU  24  -4.890  -3.421   0.813
  204   1HB   GLU  24          1HB       GLU  24  -5.315  -5.534  -0.112
  205   2HB   GLU  24          2HB       GLU  24  -3.624  -6.000  -0.090
  206   1HG   GLU  24          1HG       GLU  24  -5.036  -7.188   1.591
  207   2HG   GLU  24          2HG       GLU  24  -3.610  -6.377   2.225
  208    H    LYS  25           H        LYS  25  -4.262  -3.015   3.003
  209    HA   LYS  25           HA       LYS  25  -1.679  -2.141   3.706
  210   1HB   LYS  25          1HB       LYS  25  -3.661  -1.551   4.960
  211   2HB   LYS  25          2HB       LYS  25  -3.880  -3.233   5.461
  212   1HG   LYS  25          1HG       LYS  25  -2.945  -1.970   7.277
  213   2HG   LYS  25          2HG       LYS  25  -1.731  -3.124   6.725
  214   1HD   LYS  25          1HD       LYS  25  -0.510  -1.334   5.549
  215   2HD   LYS  25          2HD       LYS  25  -1.839  -0.212   5.853
  216   1HE   LYS  25          1HE       LYS  25  -0.237   0.391   7.440
  217   2HE   LYS  25          2HE       LYS  25  -1.441  -0.529   8.343
  218   1HZ   LYS  25          1HZ       LYS  25   0.834  -1.181   8.915
  219   2HZ   LYS  25          2HZ       LYS  25   0.092  -2.463   8.260
  220   3HZ   LYS  25          3HZ       LYS  25   1.165  -1.605   7.374
  221    H    SER  26           H        SER  26  -3.286  -5.220   4.148
  222    HA   SER  26           HA       SER  26  -1.273  -6.494   5.627
  223   1HB   SER  26          1HB       SER  26  -3.165  -7.953   3.746
  224   2HB   SER  26          2HB       SER  26  -2.320  -8.617   5.148
  225    HG   SER  26           HG       SER  26  -4.386  -6.658   5.079
  226    H    LEU  27           H        LEU  27  -1.644  -6.479   1.967
  227    HA   LEU  27           HA       LEU  27   0.541  -8.170   1.432
  228   1HB   LEU  27          1HB       LEU  27  -1.101  -6.065  -0.016
  229   2HB   LEU  27          2HB       LEU  27   0.185  -6.917  -0.809
  230    HG   LEU  27           HG       LEU  27  -2.354  -7.645  -0.830
  231   1HD1  LEU  27          1HD1      LEU  27   0.079  -9.525  -0.754
  232   2HD1  LEU  27          2HD1      LEU  27  -1.465  -9.979  -1.491
  233   3HD1  LEU  27          3HD1      LEU  27  -0.516  -8.641  -2.173
  234   1HD2  LEU  27          1HD2      LEU  27  -1.378  -9.501   1.335
  235   2HD2  LEU  27          2HD2      LEU  27  -2.732  -8.346   1.433
  236   3HD2  LEU  27          3HD2      LEU  27  -2.830  -9.712   0.338
  237    H    LEU  28           H        LEU  28   0.281  -4.572   1.672
  238    HA   LEU  28           HA       LEU  28   3.047  -4.269   0.771
  239   1HB   LEU  28          1HB       LEU  28   1.565  -2.347   0.552
  240   2HB   LEU  28          2HB       LEU  28   1.426  -2.240   2.315
  241    HG   LEU  28           HG       LEU  28   3.881  -1.826   2.489
  242   1HD1  LEU  28          1HD1      LEU  28   3.841  -1.841  -0.557
  243   2HD1  LEU  28          2HD1      LEU  28   5.181  -1.250   0.440
  244   3HD1  LEU  28          3HD1      LEU  28   4.753  -2.955   0.491
  245   1HD2  LEU  28          1HD2      LEU  28   2.823   0.120   0.463
  246   2HD2  LEU  28          2HD2      LEU  28   2.167   0.045   2.108
  247   3HD2  LEU  28          3HD2      LEU  28   3.884   0.409   1.839
  248    H    GLU  29           H        GLU  29   1.420  -4.631   3.904
  249    HA   GLU  29           HA       GLU  29   3.697  -4.192   5.607
  250   1HB   GLU  29          1HB       GLU  29   1.338  -4.189   6.319
  251   2HB   GLU  29          2HB       GLU  29   1.268  -5.946   6.123
  252   1HG   GLU  29          1HG       GLU  29   2.988  -6.215   7.869
  253   2HG   GLU  29          2HG       GLU  29   3.152  -4.459   7.998
  254    H    GLN  30           H        GLN  30   2.471  -7.118   4.016
  255    HA   GLN  30           HA       GLN  30   4.413  -8.977   5.023
  256   1HB   GLN  30          1HB       GLN  30   2.241  -9.445   3.761
  257   2HB   GLN  30          2HB       GLN  30   3.091  -9.057   2.276
  258   1HG   GLN  30          1HG       GLN  30   4.738 -10.857   2.728
  259   2HG   GLN  30          2HG       GLN  30   3.907 -11.242   4.241
  260   1HE2  GLN  30          1HE2      GLN  30   1.738 -12.245   4.121
  261   2HE2  GLN  30          2HE2      GLN  30   1.242 -12.998   2.608
  262    H    TYR  31           H        TYR  31   4.393  -6.911   2.113
  263    HA   TYR  31           HA       TYR  31   6.812  -8.024   0.985
  264   1HB   TYR  31          1HB       TYR  31   4.934  -6.931  -0.269
  265   2HB   TYR  31          2HB       TYR  31   5.401  -5.386   0.422
  266    HD1  TYR  31           1HD      TYR  31   6.691  -4.009  -0.975
  267    HD2  TYR  31           2HD      TYR  31   6.998  -8.276  -1.382
  268    HE1  TYR  31           1HE      TYR  31   8.239  -3.728  -2.921
  269    HE2  TYR  31           2HE      TYR  31   8.440  -7.965  -3.424
  270    HH   TYR  31           HH       TYR  31   9.523  -6.485  -4.765
  271    H    VAL  32           H        VAL  32   6.077  -5.222   2.960
  272    HA   VAL  32           HA       VAL  32   8.758  -4.236   2.789
  273    HB   VAL  32           HB       VAL  32   6.556  -2.940   2.986
  274   1HG1  VAL  32          1HG1      VAL  32   6.999  -3.156   6.001
  275   2HG1  VAL  32          2HG1      VAL  32   5.674  -2.342   5.135
  276   3HG1  VAL  32          3HG1      VAL  32   5.806  -4.101   5.103
  277   1HG2  VAL  32          1HG2      VAL  32   8.864  -2.050   4.784
  278   2HG2  VAL  32          2HG2      VAL  32   8.615  -1.675   3.055
  279   3HG2  VAL  32          3HG2      VAL  32   7.503  -1.043   4.274
  280    H    LYS  33           H        LYS  33   7.235  -6.368   4.949
  281    HA   LYS  33           HA       LYS  33   9.513  -6.264   6.901
  282   1HB   LYS  33          1HB       LYS  33   8.384  -7.629   8.356
  283   2HB   LYS  33          2HB       LYS  33   7.127  -6.588   7.696
  284   1HG   LYS  33          1HG       LYS  33   6.455  -8.471   6.164
  285   2HG   LYS  33          2HG       LYS  33   7.694  -9.487   6.916
  286   1HD   LYS  33          1HD       LYS  33   6.553  -9.178   9.129
  287   2HD   LYS  33          2HD       LYS  33   5.325  -8.186   8.331
  288   1HE   LYS  33          1HE       LYS  33   4.404 -10.370   8.619
  289   2HE   LYS  33          2HE       LYS  33   4.697 -10.129   6.897
  290   1HZ   LYS  33          1HZ       LYS  33   6.719 -11.483   7.126
  291   2HZ   LYS  33          2HZ       LYS  33   6.477 -11.653   8.734
  292   3HZ   LYS  33          3HZ       LYS  33   5.438 -12.330   7.680
  293    H    ASP  34           H        ASP  34   8.678  -7.852   4.044
  294    HA   ASP  34           HA       ASP  34  10.474 -10.153   4.258
  295   1HB   ASP  34          1HB       ASP  34   8.582  -9.065   2.315
  296   2HB   ASP  34          2HB       ASP  34  10.081  -9.382   1.518
  297    H    THR  35           H        THR  35  10.590  -7.114   2.379
  298    HA   THR  35           HA       THR  35  13.597  -7.082   2.496
  299    HB   THR  35           HB       THR  35  13.630  -6.423   0.140
  300    HG1  THR  35           1HG      THR  35  11.804  -6.567  -1.077
  301   1HG2  THR  35          1HG2      THR  35  13.208  -8.566  -0.902
  302   2HG2  THR  35          2HG2      THR  35  13.939  -8.823   0.691
  303   3HG2  THR  35          3HG2      THR  35  12.196  -9.088   0.453
  304    H    GLY  36           H        GLY  36  10.624  -5.332   2.654
  305   1HA   GLY  36          1HA       GLY  36  10.340  -3.186   3.446
  306   2HA   GLY  36          2HA       GLY  36  12.052  -2.847   3.280
  307    H    ASN  37           H        ASN  37  11.392  -4.135   0.352
  308    HA   ASN  37           HA       ASN  37  11.745  -1.605  -0.914
  309   1HB   ASN  37          1HB       ASN  37  10.860  -4.299  -2.035
  310   2HB   ASN  37          2HB       ASN  37  11.318  -2.943  -3.037
  311   1HD2  ASN  37          1HD2      ASN  37  13.691  -1.966  -2.280
  312   2HD2  ASN  37          2HD2      ASN  37  14.836  -3.272  -2.046
  313    H    ASP  38           H        ASP  38  10.467  -0.293  -2.178
  314    HA   ASP  38           HA       ASP  38   7.577  -0.269  -1.916
  315   1HB   ASP  38          1HB       ASP  38   9.542   1.259  -3.651
  316   2HB   ASP  38          2HB       ASP  38   7.795   1.446  -3.830
  317    HA   PRO  39           HA       PRO  39   6.852  -3.642  -4.717
  318   1HB   PRO  39          1HB       PRO  39   4.339  -2.109  -5.421
  319   2HB   PRO  39          2HB       PRO  39   4.540  -3.868  -5.117
  320   1HG   PRO  39          1HG       PRO  39   3.653  -2.299  -3.128
  321   2HG   PRO  39          2HG       PRO  39   4.947  -3.481  -2.786
  322   1HD   PRO  39          1HD       PRO  39   5.205  -0.506  -3.235
  323   2HD   PRO  39          2HD       PRO  39   6.005  -1.571  -2.034
  324    H    ILE  40           H        ILE  40   7.242  -0.565  -6.219
  325    HA   ILE  40           HA       ILE  40   7.212  -1.786  -8.977
  326    HB   ILE  40           HB       ILE  40   5.864   0.717  -7.987
  327   1HG1  ILE  40          1HG1      ILE  40   4.773  -1.255 -10.019
  328   2HG1  ILE  40          2HG1      ILE  40   4.804  -1.735  -8.331
  329   1HG2  ILE  40          1HG2      ILE  40   6.601   0.132 -10.888
  330   2HG2  ILE  40          2HG2      ILE  40   5.414   1.345 -10.374
  331   3HG2  ILE  40          3HG2      ILE  40   7.104   1.537  -9.917
  332   1HD1  ILE  40          1HD1      ILE  40   3.416   0.055  -7.641
  333   2HD1  ILE  40          2HD1      ILE  40   3.468   0.828  -9.247
  334   3HD1  ILE  40          3HD1      ILE  40   2.649  -0.733  -9.035
  335    H    THR  41           H        THR  41   8.553   0.802  -6.897
  336    HA   THR  41           HA       THR  41  10.668   1.361  -8.899
  337    HB   THR  41           HB       THR  41  11.361   3.118  -7.192
  338    HG1  THR  41           1HG      THR  41   8.702   2.653  -6.439
  339   1HG2  THR  41          1HG2      THR  41  10.197   3.684  -9.293
  340   2HG2  THR  41          2HG2      THR  41   8.627   3.339  -8.535
  341   3HG2  THR  41          3HG2      THR  41   9.626   4.689  -7.952
  342    H    ASN  42           H        ASN  42  10.153  -0.707  -6.237
  343    HA   ASN  42           HA       ASN  42  11.248  -1.627  -4.655
  344   1HB   ASN  42          1HB       ASN  42  12.866  -3.160  -5.318
  345   2HB   ASN  42          2HB       ASN  42  11.691  -3.006  -6.601
  346   1HD2  ASN  42          2HD2      ASN  42  14.913  -1.697  -5.673
  347   2HD2  ASN  42          1HD2      ASN  42  15.535  -1.708  -7.331
  348    H    GLU  43           H        GLU  43  11.643   1.134  -4.502
  349    HA   GLU  43           HA       GLU  43  14.397   1.590  -3.580
  350   1HB   GLU  43          1HB       GLU  43  11.946   3.125  -2.660
  351   2HB   GLU  43          2HB       GLU  43  13.643   3.590  -2.532
  352   1HG   GLU  43          1HG       GLU  43  13.624   3.370  -5.149
  353   2HG   GLU  43          2HG       GLU  43  11.879   3.484  -4.976
  354    HA   PRO  44           HA       PRO  44  13.887  -0.854   0.115
  355   1HB   PRO  44          1HB       PRO  44  16.021  -0.046   1.641
  356   2HB   PRO  44          2HB       PRO  44  16.170  -1.072   0.181
  357   1HG   PRO  44          1HG       PRO  44  16.542   1.932   0.391
  358   2HG   PRO  44          2HG       PRO  44  17.605   0.739  -0.414
  359   1HD   PRO  44          1HD       PRO  44  15.782   2.207  -1.805
  360   2HD   PRO  44          2HD       PRO  44  16.121   0.503  -2.236
  361    H    LEU  45           H        LEU  45  12.514  -0.656   1.691
  362    HA   LEU  45           HA       LEU  45  11.358  -0.043   3.495
  363   1HB   LEU  45          1HB       LEU  45  13.067   2.451   3.734
  364   2HB   LEU  45          2HB       LEU  45  11.656   2.113   4.702
  365    HG   LEU  45           HG       LEU  45  12.709  -0.051   5.463
  366   1HD1  LEU  45          1HD1      LEU  45  15.192   1.157   4.165
  367   2HD1  LEU  45          2HD1      LEU  45  15.217  -0.136   5.384
  368   3HD1  LEU  45          3HD1      LEU  45  14.468  -0.433   3.822
  369   1HD2  LEU  45          1HD2      LEU  45  12.664   1.978   6.844
  370   2HD2  LEU  45          2HD2      LEU  45  14.168   1.090   7.098
  371   3HD2  LEU  45          3HD2      LEU  45  14.164   2.550   6.083
  372    H    SER  46           H        SER  46   9.479   1.005   3.892
  373    HA   SER  46           HA       SER  46   8.178   2.632   1.809
  374   1HB   SER  46          1HB       SER  46   8.170   0.077   1.234
  375   2HB   SER  46          2HB       SER  46   6.932  -0.014   2.475
  376    HG   SER  46           HG       SER  46   6.871   1.548   0.104
  377    H    ILE  47           H        ILE  47   7.830   0.614   4.640
  378    HA   ILE  47           HA       ILE  47   5.580   1.733   5.794
  379    HB   ILE  47           HB       ILE  47   6.789  -0.416   6.418
  380   1HG1  ILE  47          1HG1      ILE  47   6.302  -0.331   8.900
  381   2HG1  ILE  47          2HG1      ILE  47   5.836   1.362   8.686
  382   1HG2  ILE  47          1HG2      ILE  47   9.067   0.559   6.715
  383   2HG2  ILE  47          2HG2      ILE  47   8.513   1.320   8.225
  384   3HG2  ILE  47          3HG2      ILE  47   8.539  -0.440   8.070
  385   1HD1  ILE  47          1HD1      ILE  47   4.128   0.635   7.015
  386   2HD1  ILE  47          2HD1      ILE  47   4.633  -1.048   7.234
  387   3HD1  ILE  47          3HD1      ILE  47   3.880  -0.158   8.578
  388    H    GLU  48           H        GLU  48   8.748   3.014   6.029
  389    HA   GLU  48           HA       GLU  48   8.200   5.059   8.026
  390   1HB   GLU  48          1HB       GLU  48  10.396   4.743   5.934
  391   2HB   GLU  48          2HB       GLU  48  10.350   6.053   7.118
  392   1HG   GLU  48          1HG       GLU  48  10.498   3.088   7.822
  393   2HG   GLU  48          2HG       GLU  48  11.862   4.194   7.758
  394    H    GLU  49           H        GLU  49   7.098   4.588   4.909
  395    HA   GLU  49           HA       GLU  49   6.503   7.501   4.515
  396   1HB   GLU  49          1HB       GLU  49   7.431   5.483   2.426
  397   2HB   GLU  49          2HB       GLU  49   6.803   7.075   2.026
  398   1HG   GLU  49          1HG       GLU  49   9.328   6.489   3.627
  399   2HG   GLU  49          2HG       GLU  49   9.249   7.007   1.952
  400    H    ILE  50           H        ILE  50   5.131   4.742   5.253
  401    HA   ILE  50           HA       ILE  50   3.190   4.323   3.280
  402    HB   ILE  50           HB       ILE  50   4.010   2.779   5.059
  403   1HG1  ILE  50          1HG1      ILE  50   1.022   2.695   4.785
  404   2HG1  ILE  50          2HG1      ILE  50   2.104   2.412   3.412
  405   1HG2  ILE  50          1HG2      ILE  50   1.728   3.862   6.768
  406   2HG2  ILE  50          2HG2      ILE  50   2.876   2.582   7.190
  407   3HG2  ILE  50          3HG2      ILE  50   3.431   4.253   7.047
  408   1HD1  ILE  50          1HD1      ILE  50   2.008   0.750   5.958
  409   2HD1  ILE  50          2HD1      ILE  50   1.504   0.260   4.334
  410   3HD1  ILE  50          3HD1      ILE  50   3.216   0.562   4.648
  411    H    VAL  51           H        VAL  51   1.285   4.883   2.880
  412    HA   VAL  51           HA       VAL  51  -0.262   6.868   4.546
  413    HB   VAL  51           HB       VAL  51  -0.168   6.783   1.507
  414   1HG1  VAL  51          1HG1      VAL  51  -1.395   8.924   1.660
  415   2HG1  VAL  51          2HG1      VAL  51  -2.331   7.630   2.407
  416   3HG1  VAL  51          3HG1      VAL  51  -1.447   8.782   3.433
  417   1HG2  VAL  51          1HG2      VAL  51   0.986   8.970   1.686
  418   2HG2  VAL  51          2HG2      VAL  51   1.098   8.759   3.452
  419   3HG2  VAL  51          3HG2      VAL  51   1.955   7.658   2.355
  420    H    GLU  52           H        GLU  52  -1.733   5.464   5.551
  421    HA   GLU  52           HA       GLU  52  -3.336   3.588   3.929
  422   1HB   GLU  52          1HB       GLU  52  -3.926   4.527   6.747
  423   2HB   GLU  52          2HB       GLU  52  -4.665   3.176   5.856
  424   1HG   GLU  52          1HG       GLU  52  -2.530   1.997   5.803
  425   2HG   GLU  52          2HG       GLU  52  -1.755   3.294   6.715
  426    H    ILE  53           H        ILE  53  -5.016   4.043   2.754
  427    HA   ILE  53           HA       ILE  53  -5.884   6.821   2.386
  428    HB   ILE  53           HB       ILE  53  -6.739   4.209   1.085
  429   1HG1  ILE  53          1HG1      ILE  53  -4.388   4.582   0.629
  430   2HG1  ILE  53          2HG1      ILE  53  -5.333   4.825  -0.823
  431   1HG2  ILE  53          1HG2      ILE  53  -8.500   5.815   0.704
  432   2HG2  ILE  53          2HG2      ILE  53  -7.336   7.069   0.240
  433   3HG2  ILE  53          3HG2      ILE  53  -7.582   5.640  -0.790
  434   1HD1  ILE  53          1HD1      ILE  53  -5.158   7.303  -0.531
  435   2HD1  ILE  53          2HD1      ILE  53  -4.177   7.038   0.931
  436   3HD1  ILE  53          3HD1      ILE  53  -3.583   6.516  -0.650
  437    H    VAL  54           H        VAL  54  -7.229   3.857   3.704
  438    HA   VAL  54           HA       VAL  54  -9.320   5.436   5.132
  439    HB   VAL  54           HB       VAL  54  -9.868   2.696   3.933
  440   1HG1  VAL  54          1HG1      VAL  54 -11.009   3.030   6.094
  441   2HG1  VAL  54          2HG1      VAL  54 -11.620   4.608   5.547
  442   3HG1  VAL  54          3HG1      VAL  54 -12.167   3.106   4.766
  443   1HG2  VAL  54          1HG2      VAL  54 -10.983   5.437   3.195
  444   2HG2  VAL  54          2HG2      VAL  54  -9.957   4.405   2.174
  445   3HG2  VAL  54          3HG2      VAL  54 -11.585   3.876   2.589
  446    HA   PRO  55           HA       PRO  55  -6.522   3.132   7.932
  447   1HB   PRO  55          1HB       PRO  55  -6.525   4.810  10.076
  448   2HB   PRO  55          2HB       PRO  55  -5.666   5.185   8.554
  449   1HG   PRO  55          1HG       PRO  55  -8.437   6.108   9.394
  450   2HG   PRO  55          2HG       PRO  55  -7.077   7.111   8.795
  451   1HD   PRO  55          1HD       PRO  55  -9.059   6.240   7.146
  452   2HD   PRO  55          2HD       PRO  55  -7.362   6.342   6.581
  453    H    SER  56           H        SER  56  -9.873   3.624   8.232
  454    HA   SER  56           HA       SER  56 -10.653   2.964  10.764
  455   1HB   SER  56          1HB       SER  56 -11.976   2.007   8.199
  456   2HB   SER  56          2HB       SER  56 -12.752   2.202   9.783
  457    HG   SER  56           HG       SER  56 -13.115   4.025   8.457