*HEADER   TRANSCRIPTION REGULATION                26-FEB-96   1NCS              
*TITLE    NMR STUDY OF SWI5 ZINC FINGER DOMAIN 1                                
*COMPND   MOL_ID: 1;                                                            
*COMPND  2 MOLECULE: TRANSCRIPTIONAL FACTOR SWI5;                               
*COMPND  3 CHAIN: NULL;                                                         
*COMPND  4 FRAGMENT: ZINC FINGER DNA BINDING DOMAIN 1 OF SWI5;                  
*COMPND  5 SYNONYM: PEPTIDE M30F;                                               
*COMPND  6 ENGINEERED: YES                                                      
*SOURCE   MOL_ID: 1;                                                            
*SOURCE  2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE  3 ORGANISM_COMMON: BAKER'S YEAST;                                      
*SOURCE  4 EXPRESSION_SYSTEM: T7 POLYMERASE EXPRESSION SYSTEM;                  
*SOURCE  5 EXPRESSION_SYSTEM_PLASMID: PET13A                                    
*KEYWDS   DNA BINDING MOTIF, TRANSCRIPTION REGULATION, ZINC-FINGER              
*EXPDTA   NMR, 46 STRUCTURES                                                    
*AUTHOR   R.N.DUTNALL,D.NEUHAUS,D.RHODES                                        
*REVDAT  1   10-JUN-96 1NCS    0                                                


REMARK
REMARK NMR CONSTRAINTS FOR SWI5 ZINC FINGER DOMAIN 1 (peptide m30F)
REMARK Authors R. N. DUTNALL, D. NEUHAUS and D. RHODES
REMARK

REMARK
REMARK    HYDROGEN ATOMS IN THIS ENTRY HAVE BEEN ASSIGNED NAMES                
REMARK    CONSISTENT WITH THE RECOMMENDATIONS OF THE IUPAC-IUB                 
REMARK    COMMISSION ON BIOCHEMICAL NOMENCLATURE (SEE,E.G., J.MOL.             
REMARK    BIOL. 52, 1 (1970)).  THE PROTEIN DATA BANK HAS FOLLOWED             
REMARK    RULE 4.4 OF THE RECOMMENDATIONS WITH THE FOLLOWING                   
REMARK    MODIFICATION - WHEN MORE THAN ONE HYDROGEN ATOM IS BONDED            
REMARK    TO A SINGLE NON-HYDROGEN ATOM, THE HYDROGEN ATOM NUMBER              
REMARK    DESIGNATION IS GIVEN AS THE FIRST CHARACTER OF THE ATOM              
REMARK    NAME RATHER THAN AS THE LAST CHARACTER (E.G. H*BETA*1 IS             
REMARK    DENOTED AS 1HB).
REMARK

REMARK
REMARK  N.B. All residue numbers in the entry have been transposed
REMARK  to correspond to the published numbering.  The constraint
REMARK  numbering is that used during the structure determination.
REMARK
REMARK  Entry residue     Constraint list residue
REMARK
REMARK     THR  14                THR   1
REMARK     LEU  15		  LEU   2
REMARK     PRO  16		  PRO   3
REMARK     ARG  17		  ARG   4
REMARK     GLY  18		  GLY   5
REMARK     SER  19		  SER   6
REMARK     ILE  20		  ILE   7
REMARK     ASP  21		  ASP   8
REMARK     LYS  22		  LYS   9
REMARK     TYR  23		  TYR  10
REMARK     VAL  24		  VAL  11
REMARK     LYS  25		  LYS  12
REMARK     GLU  26		  GLU  13
REMARK     MET  27		  MET  14
REMARK     PRO  28		  PRO  15
REMARK     ASP  29		  ASP  16
REMARK     LYS  30		  LYS  17
REMARK     THR  31		  THR  18
REMARK     PHE  32		  PHE  19
REMARK     GLU  33		  GLU  20
REMARK     CYS  34		  CYS  21
REMARK     LEU  35		  LEU  22
REMARK     PHE  36		  PHE  23
REMARK     PRO  37		  PRO  24
REMARK     GLY  38		  GLY  25
REMARK     CYS  39		  CYS  26
REMARK     THR  40		  THR  27
REMARK     LYS  41		  LYS  28
REMARK     THR  42		  THR  29
REMARK     PHE  43		  PHE  30
REMARK     LYS  44		  LYS  31
REMARK     ARG  45		  ARG  32
REMARK     ARG  46		  ARG  33
REMARK     TYR  47		  TYR  34
REMARK     ASN  48		  ASN  35
REMARK     ILE  49		  ILE  36
REMARK     ARG  50		  ARG  37
REMARK     SER  51		  SER  38
REMARK     HIS  52		  HIS  39
REMARK     ILE  53		  ILE  40
REMARK     GLN  54		  GLN  41
REMARK     THR  55		  THR  42
REMARK     HIS  56		  HIS  43
REMARK     LEU  57		  LEU  44
REMARK     GLU  58		  GLU  45
REMARK     ASP  59		  ASP  46
REMARK     ARG  60		  ARG  47
REMARK

REMARK
REMARK  THE FOLLOWING IS A LIST OF ALL HYDROGEN ATOMS WITH THEIR 
REMARK  NAMES IN THE ENTRY AND THE CONSTRAINTS LIST:
REMARK

H atom name in entry      Constraint H atom name

  1H    THR  14           HT1  THR   1
  2H    THR  14           HT3  THR   1
  3H    THR  14           HT2  THR   1
   HA   THR  14           HA   THR   1
   HB   THR  14           HB   THR   1
   HG1  THR  14           HG1  THR   1
  1HG2  THR  14          HG23  THR   1
  2HG2  THR  14          HG22  THR   1
  3HG2  THR  14          HG21  THR   1
   H    LEU  15           HN   LEU   2
   HA   LEU  15           HA   LEU   2
  1HB   LEU  15           HB2  LEU   2
  2HB   LEU  15           HB1  LEU   2
   HG   LEU  15           HG   LEU   2
  1HD1  LEU  15          HD13  LEU   2
  2HD1  LEU  15          HD12  LEU   2
  3HD1  LEU  15          HD11  LEU   2
  1HD2  LEU  15          HD23  LEU   2
  2HD2  LEU  15          HD22  LEU   2
  3HD2  LEU  15          HD21  LEU   2
   HA   PRO  16           HA   PRO   3
  1HB   PRO  16           HB2  PRO   3
  2HB   PRO  16           HB1  PRO   3
  1HG   PRO  16           HG2  PRO   3
  2HG   PRO  16           HG1  PRO   3
  1HD   PRO  16           HD1  PRO   3
  2HD   PRO  16           HD2  PRO   3
   H    ARG  17           HN   ARG   4
   NH1  ARG  17           NH1  ARG   4
   NH2  ARG  17           NH2  ARG   4
   HA   ARG  17           HA   ARG   4
  1HB   ARG  17           HB2  ARG   4
  2HB   ARG  17           HB1  ARG   4
  1HG   ARG  17           HG2  ARG   4
  2HG   ARG  17           HG1  ARG   4
  1HD   ARG  17           HD2  ARG   4
  2HD   ARG  17           HD1  ARG   4
   HE   ARG  17           HE   ARG   4
  1HH1  ARG  17          HH11  ARG   4
  2HH1  ARG  17          HH12  ARG   4
  1HH2  ARG  17          HH21  ARG   4
  2HH2  ARG  17          HH22  ARG   4
   H    GLY  18           HN   GLY   5
  1HA   GLY  18           HA2  GLY   5
  2HA   GLY  18           HA1  GLY   5
   H    SER  19           HN   SER   6
   HA   SER  19           HA   SER   6
  1HB   SER  19           HB2  SER   6
  2HB   SER  19           HB1  SER   6
   HG   SER  19           HG1  SER   6
   H    ILE  20           HN   ILE   7
   HA   ILE  20           HA   ILE   7
   HB   ILE  20           HB   ILE   7
  1HG1  ILE  20           HG11 ILE   7
  2HG1  ILE  20           HG12 ILE   7
  1HG2  ILE  20           HG21 ILE   7
  2HG2  ILE  20           HG22 ILE   7
  3HG2  ILE  20           HG23 ILE   7
  1HD1  ILE  20           HD11 ILE   7
  2HD1  ILE  20           HD12 ILE   7
  3HD1  ILE  20           HD13 ILE   7
   H    ASP  21           HN   ASP   8
   HA   ASP  21           HA   ASP   8
  1HB   ASP  21           HB1  ASP   8
  2HB   ASP  21           HB2  ASP   8
   H    LYS  22           HN   LYS   9
   HA   LYS  22           HA   LYS   9
  1HB   LYS  22           HB2  LYS   9
  2HB   LYS  22           HB1  LYS   9
  1HG   LYS  22           HG2  LYS   9
  2HG   LYS  22           HG1  LYS   9
  1HD   LYS  22           HD2  LYS   9
  2HD   LYS  22           HD1  LYS   9
  1HE   LYS  22           HE2  LYS   9
  2HE   LYS  22           HE1  LYS   9
  1HZ   LYS  22           HZ3  LYS   9
  2HZ   LYS  22           HZ1  LYS   9
  3HZ   LYS  22           HZ2  LYS   9
   OH   TYR  23           OH   TYR  10
   H    TYR  23           HN   TYR  10
   HA   TYR  23           HA   TYR  10
  1HB   TYR  23           HB2  TYR  10
  2HB   TYR  23           HB1  TYR  10
   HD1  TYR  23           HD1  TYR  10
   HD2  TYR  23           HD2  TYR  10
   HE1  TYR  23           HE1  TYR  10
   HE2  TYR  23           HE2  TYR  10
   HH   TYR  23           HH   TYR  10
   H    VAL  24           HN   VAL  11
   HA   VAL  24           HA   VAL  11
   HB   VAL  24           HB   VAL  11
  1HG1  VAL  24           HG11 VAL  11
  2HG1  VAL  24           HG12 VAL  11
  3HG1  VAL  24           HG13 VAL  11
  1HG2  VAL  24           HG21 VAL  11
  2HG2  VAL  24           HG22 VAL  11
  3HG2  VAL  24           HG23 VAL  11
   H    LYS  25           HN   LYS  12
   HA   LYS  25           HA   LYS  12
  1HB   LYS  25           HB2  LYS  12
  2HB   LYS  25           HB1  LYS  12
  1HG   LYS  25           HG2  LYS  12
  2HG   LYS  25           HG1  LYS  12
  1HD   LYS  25           HD2  LYS  12
  2HD   LYS  25           HD1  LYS  12
  1HE   LYS  25           HE2  LYS  12
  2HE   LYS  25           HE1  LYS  12
  1HZ   LYS  25           HZ2  LYS  12
  2HZ   LYS  25           HZ1  LYS  12
  3HZ   LYS  25           HZ3  LYS  12
   H    GLU  26           HN   GLU  13
   HA   GLU  26           HA   GLU  13
  1HB   GLU  26           HB1  GLU  13
  2HB   GLU  26           HB2  GLU  13
  1HG   GLU  26           HG1  GLU  13
  2HG   GLU  26           HG2  GLU  13
   H    MET  27           HN   MET  14
   HA   MET  27           HA   MET  14
  1HB   MET  27           HB2  MET  14
  2HB   MET  27           HB1  MET  14
  1HG   MET  27           HG2  MET  14
  2HG   MET  27           HG1  MET  14
  1HE   MET  27           HE3  MET  14
  2HE   MET  27           HE2  MET  14
  3HE   MET  27           HE1  MET  14
   HA   PRO  28           HA   PRO  15
  1HB   PRO  28           HB2  PRO  15
  2HB   PRO  28           HB1  PRO  15
  1HG   PRO  28           HG2  PRO  15
  2HG   PRO  28           HG1  PRO  15
  1HD   PRO  28           HD1  PRO  15
  2HD   PRO  28           HD2  PRO  15
   H    ASP  29           HN   ASP  16
   HA   ASP  29           HA   ASP  16
  1HB   ASP  29           HB1  ASP  16
  2HB   ASP  29           HB2  ASP  16
   H    LYS  30           HN   LYS  17
   HA   LYS  30           HA   LYS  17
  1HB   LYS  30           HB2  LYS  17
  2HB   LYS  30           HB1  LYS  17
  1HG   LYS  30           HG2  LYS  17
  2HG   LYS  30           HG1  LYS  17
  1HD   LYS  30           HD2  LYS  17
  2HD   LYS  30           HD1  LYS  17
  1HE   LYS  30           HE2  LYS  17
  2HE   LYS  30           HE1  LYS  17
  1HZ   LYS  30           HZ2  LYS  17
  2HZ   LYS  30           HZ1  LYS  17
  3HZ   LYS  30           HZ3  LYS  17
   H    THR  31           HN   THR  18
   HA   THR  31           HA   THR  18
   HB   THR  31           HB   THR  18
   HG1  THR  31           HG1  THR  18
  1HG2  THR  31          HG23  THR  18
  2HG2  THR  31          HG22  THR  18
  3HG2  THR  31          HG21  THR  18
   H    PHE  32           HN   PHE  19
   HA   PHE  32           HA   PHE  19
  1HB   PHE  32           HB2  PHE  19
  2HB   PHE  32           HB1  PHE  19
   HD1  PHE  32           HD1  PHE  19
   HD2  PHE  32           HD2  PHE  19
   HE1  PHE  32           HE1  PHE  19
   HE2  PHE  32           HE2  PHE  19
   HZ   PHE  32           HZ   PHE  19
   H    GLU  33           HN   GLU  20
   HA   GLU  33           HA   GLU  20
  1HB   GLU  33           HB1  GLU  20
  2HB   GLU  33           HB2  GLU  20
  1HG   GLU  33           HG1  GLU  20
  2HG   GLU  33           HG2  GLU  20
   H    CYS  34           HN   CYS  21
   HA   CYS  34           HA   CYS  21
  1HB   CYS  34           HB2  CYS  21
  2HB   CYS  34           HB1  CYS  21
   H    LEU  35           HN   LEU  22
   HA   LEU  35           HA   LEU  22
  1HB   LEU  35           HB2  LEU  22
  2HB   LEU  35           HB1  LEU  22
   HG   LEU  35           HG   LEU  22
  1HD1  LEU  35          HD13  LEU  22
  2HD1  LEU  35          HD12  LEU  22
  3HD1  LEU  35          HD11  LEU  22
  1HD2  LEU  35          HD23  LEU  22
  2HD2  LEU  35          HD22  LEU  22
  3HD2  LEU  35          HD21  LEU  22
   H    PHE  36           HN   PHE  23
   HA   PHE  36           HA   PHE  23
  1HB   PHE  36           HB2  PHE  23
  2HB   PHE  36           HB1  PHE  23
   HD1  PHE  36           HD1  PHE  23
   HD2  PHE  36           HD2  PHE  23
   HE1  PHE  36           HE1  PHE  23
   HE2  PHE  36           HE2  PHE  23
   HZ   PHE  36           HZ   PHE  23
   HA   PRO  37           HA   PRO  24
  1HB   PRO  37           HB2  PRO  24
  2HB   PRO  37           HB1  PRO  24
  1HG   PRO  37           HG2  PRO  24
  2HG   PRO  37           HG1  PRO  24
  1HD   PRO  37           HD1  PRO  24
  2HD   PRO  37           HD2  PRO  24
   H    GLY  38           HN   GLY  25
  1HA   GLY  38           HA2  GLY  25
  2HA   GLY  38           HA1  GLY  25
   H    CYS  39           HN   CYS  26
   HA   CYS  39           HA   CYS  26
  1HB   CYS  39           HB2  CYS  26
  2HB   CYS  39           HB1  CYS  26
   H    THR  40           HN   THR  27
   HA   THR  40           HA   THR  27
   HB   THR  40           HB   THR  27
   HG1  THR  40           HG1  THR  27
  1HG2  THR  40          HG23  THR  27
  2HG2  THR  40          HG22  THR  27
  3HG2  THR  40          HG21  THR  27
   H    LYS  41           HN   LYS  28
   HA   LYS  41           HA   LYS  28
  1HB   LYS  41           HB2  LYS  28
  2HB   LYS  41           HB1  LYS  28
  1HG   LYS  41           HG2  LYS  28
  2HG   LYS  41           HG1  LYS  28
  1HD   LYS  41           HD2  LYS  28
  2HD   LYS  41           HD1  LYS  28
  1HE   LYS  41           HE2  LYS  28
  2HE   LYS  41           HE1  LYS  28
  1HZ   LYS  41           HZ2  LYS  28
  2HZ   LYS  41           HZ1  LYS  28
  3HZ   LYS  41           HZ3  LYS  28
   H    THR  42           HN   THR  29
   HA   THR  42           HA   THR  29
   HB   THR  42           HB   THR  29
   HG1  THR  42           HG1  THR  29
  1HG2  THR  42          HG23  THR  29
  2HG2  THR  42          HG22  THR  29
  3HG2  THR  42          HG21  THR  29
   H    PHE  43           HN   PHE  30
   HA   PHE  43           HA   PHE  30
  1HB   PHE  43           HB2  PHE  30
  2HB   PHE  43           HB1  PHE  30
   HD1  PHE  43           HD1  PHE  30
   HD2  PHE  43           HD2  PHE  30
   HE1  PHE  43           HE1  PHE  30
   HE2  PHE  43           HE2  PHE  30
   HZ   PHE  43           HZ   PHE  30
   H    LYS  44           HN   LYS  31
   HA   LYS  44           HA   LYS  31
  1HB   LYS  44           HB2  LYS  31
  2HB   LYS  44           HB1  LYS  31
  1HG   LYS  44           HG2  LYS  31
  2HG   LYS  44           HG1  LYS  31
  1HD   LYS  44           HD2  LYS  31
  2HD   LYS  44           HD1  LYS  31
  1HE   LYS  44           HE2  LYS  31
  2HE   LYS  44           HE1  LYS  31
  1HZ   LYS  44           HZ2  LYS  31
  2HZ   LYS  44           HZ1  LYS  31
  3HZ   LYS  44           HZ3  LYS  31
   H    ARG  45           HN   ARG  32
   NH1  ARG  45           NH1  ARG  32
   NH2  ARG  45           NH2  ARG  32
   HA   ARG  45           HA   ARG  32
  1HB   ARG  45           HB2  ARG  32
  2HB   ARG  45           HB1  ARG  32
  1HG   ARG  45           HG2  ARG  32
  2HG   ARG  45           HG1  ARG  32
  1HD   ARG  45           HD2  ARG  32
  2HD   ARG  45           HD1  ARG  32
   HE   ARG  45           HE   ARG  32
  1HH1  ARG  45          HH11  ARG  32
  2HH1  ARG  45          HH12  ARG  32
  1HH2  ARG  45          HH21  ARG  32
  2HH2  ARG  45          HH22  ARG  32
   H    ARG  46           HN   ARG  33
   NH1  ARG  46           NH1  ARG  33
   NH2  ARG  46           NH2  ARG  33
   HA   ARG  46           HA   ARG  33
  1HB   ARG  46           HB2  ARG  33
  2HB   ARG  46           HB1  ARG  33
  1HG   ARG  46           HG2  ARG  33
  2HG   ARG  46           HG1  ARG  33
  1HD   ARG  46           HD2  ARG  33
  2HD   ARG  46           HD1  ARG  33
   HE   ARG  46           HE   ARG  33
  1HH1  ARG  46          HH11  ARG  33
  2HH1  ARG  46          HH12  ARG  33
  1HH2  ARG  46          HH21  ARG  33
  2HH2  ARG  46          HH22  ARG  33
   OH   TYR  47           OH   TYR  34
   H    TYR  47           HN   TYR  34
   HA   TYR  47           HA   TYR  34
  1HB   TYR  47           HB2  TYR  34
  2HB   TYR  47           HB1  TYR  34
   HD1  TYR  47           HD1  TYR  34
   HD2  TYR  47           HD2  TYR  34
   HE1  TYR  47           HE1  TYR  34
   HE2  TYR  47           HE2  TYR  34
   HH   TYR  47           HH   TYR  34
   H    ASN  48           HN   ASN  35
   HA   ASN  48           HA   ASN  35
  1HB   ASN  48           HB2  ASN  35
  2HB   ASN  48           HB1  ASN  35
  1HD2  ASN  48          HD22  ASN  35
  2HD2  ASN  48          HD21  ASN  35
   H    ILE  49           HN   ILE  36
   HA   ILE  49           HA   ILE  36
   HB   ILE  49           HB   ILE  36
  1HG1  ILE  49           HG11 ILE  36
  2HG1  ILE  49           HG12 ILE  36
  1HG2  ILE  49           HG21 ILE  36
  2HG2  ILE  49           HG22 ILE  36
  3HG2  ILE  49           HG23 ILE  36
  1HD1  ILE  49           HD11 ILE  36
  2HD1  ILE  49           HD12 ILE  36
  3HD1  ILE  49           HD13 ILE  36
   NH1  ARG  50           NH1  ARG  37
   NH2  ARG  50           NH2  ARG  37
   H    ARG  50           HN   ARG  37
   HA   ARG  50           HA   ARG  37
  1HB   ARG  50           HB2  ARG  37
  2HB   ARG  50           HB1  ARG  37
  1HG   ARG  50           HG2  ARG  37
  2HG   ARG  50           HG1  ARG  37
  1HD   ARG  50           HD2  ARG  37
  2HD   ARG  50           HD1  ARG  37
   HE   ARG  50           HE   ARG  37
  1HH1  ARG  50          HH11  ARG  37
  2HH1  ARG  50          HH12  ARG  37
  1HH2  ARG  50          HH21  ARG  37
  2HH2  ARG  50          HH22  ARG  37
   H    SER  51           HN   SER  38
   HA   SER  51           HA   SER  38
  1HB   SER  51           HB2  SER  38
  2HB   SER  51           HB1  SER  38
   HG   SER  51           HG1  SER  38
   H    HIS  52           HN   HIS  39
   HA   HIS  52           HA   HIS  39
  1HB   HIS  52           HB2  HIS  39
  2HB   HIS  52           HB1  HIS  39
   HD1  HIS  52           HD1  HIS  39
   HD2  HIS  52           HD2  HIS  39
   HE1  HIS  52           HE1  HIS  39
   H    ILE  53           HN   ILE  40
   HA   ILE  53           HA   ILE  40
   HB   ILE  53           HB   ILE  40
  1HG1  ILE  53           HG11 ILE  40
  2HG1  ILE  53           HG12 ILE  40
  1HG2  ILE  53           HG21 ILE  40
  2HG2  ILE  53           HG22 ILE  40
  3HG2  ILE  53           HG23 ILE  40
  1HD1  ILE  53           HD11 ILE  40
  2HD1  ILE  53           HD12 ILE  40
  3HD1  ILE  53           HD13 ILE  40
   H    GLN  54           HN   GLN  41
   HA   GLN  54           HA   GLN  41
  1HB   GLN  54           HB1  GLN  41
  2HB   GLN  54           HB2  GLN  41
  1HG   GLN  54           HG1  GLN  41
  2HG   GLN  54           HG2  GLN  41
  1HE2  GLN  54           HE21 GLN  41
  2HE2  GLN  54           HE22 GLN  41
   H    THR  55           HN   THR  42
   HA   THR  55           HA   THR  42
   HB   THR  55           HB   THR  42
   HG1  THR  55           HG1  THR  42
  1HG2  THR  55          HG21  THR  42
  2HG2  THR  55          HG23  THR  42
  3HG2  THR  55          HG22  THR  42
   H    HIS  56           HN   HIS  43
   HA   HIS  56           HA   HIS  43
  1HB   HIS  56           HB2  HIS  43
  2HB   HIS  56           HB1  HIS  43
   HD1  HIS  56           HD1  HIS  43
   HD2  HIS  56           HD2  HIS  43
   HE1  HIS  56           HE1  HIS  43
   H    LEU  57           HN   LEU  44
   HA   LEU  57           HA   LEU  44
  1HB   LEU  57           HB2  LEU  44
  2HB   LEU  57           HB1  LEU  44
   HG   LEU  57           HG   LEU  44
  1HD1  LEU  57          HD13  LEU  44
  2HD1  LEU  57          HD12  LEU  44
  3HD1  LEU  57          HD11  LEU  44
  1HD2  LEU  57          HD23  LEU  44
  2HD2  LEU  57          HD22  LEU  44
  3HD2  LEU  57          HD21  LEU  44
   H    GLU  58           HN   GLU  45
   HA   GLU  58           HA   GLU  45
  1HB   GLU  58           HB1  GLU  45
  2HB   GLU  58           HB2  GLU  45
  1HG   GLU  58           HG1  GLU  45
  2HG   GLU  58           HG2  GLU  45
   H    ASP  59           HN   ASP  46
   HA   ASP  59           HA   ASP  46
  1HB   ASP  59           HB1  ASP  46
  2HB   ASP  59           HB2  ASP  46
   NH1  ARG  60           NH1  ARG  47
   NH2  ARG  60           NH2  ARG  47
   H    ARG  60           HN   ARG  47
   HA   ARG  60           HA   ARG  47
  1HB   ARG  60           HB2  ARG  47
  2HB   ARG  60           HB1  ARG  47
  1HG   ARG  60           HG2  ARG  47
  2HG   ARG  60           HG1  ARG  47
  1HD   ARG  60           HD2  ARG  47
  2HD   ARG  60           HD1  ARG  47
   HE   ARG  60           HE   ARG  47
  1HH1  ARG  60          HH11  ARG  47
  2HH1  ARG  60          HH12  ARG  47
  1HH2  ARG  60          HH21  ARG  47
  2HH2  ARG  60          HH22  ARG  47

REMARK   Experimental Constraints for NMR Structure of a the first 
REMARK   Zinc Finger from Saccharomyces Cerevisiae transcription factor
REMARK   SWI5
REMARK
REMARK   Authors: R.N. Dutnall(*), D. Neuhaus and D. Rhodes
REMARK    Structural Studies Division
REMARK    Medical Research Council Laboratory of Molecular Biology
REMARK    Hills Road, Cambridge, CB2 2QH, United Kingdom
REMARK   (*) Present address:
REMARK    Department of Biochemistry
REMARK    University of Utah School of Medicine
REMARK    50 N. Medical Drive
REMARK    Salt Lake City, Utah 84132, U.S.A.
REMARK   References:
REMARK    R.N. Dutnall, D. Neuhaus, and D. Rhodes (1996) The solution
REMARK    structure of the first zinc finger domain of SWI5: A novel
REMARK    structural extension to a common fold. Structure (submitted).
REMARK
REMARK   The 3D structure of the zinc finger in solution by NMR is based on 
REMARK   479 approximate interproton distance constraints
REMARK   30 interproton distance constraints representing 15 hydrogen bonds
REMARK   and 9 torsion angle constraints derived from NOE and coupling
REMARK   constant estimates. A complete list of experimental
REMARK   constraints follows:

REMARK
REMARK
REMARK  A.  NOE Interproton distance constraints
REMARK   
REMARK   i,j,k are the distance, the -ve error and the positive error,
REMARK   respectively as follows:
REMARK
REMARK              strong =  0.0 - 2.3 A    (2.2  2.2  0.1)
REMARK              medium =  0.0 - 2.9 A    (2.6  2.6  0.3)
REMARK              weak   =  0.0 - 3.5 A    (3.0  3.0  0.5)
REMARK              v weak =  0.0 - 5.0 A    (4.0  4.0  1.0)
REMARK
REMARK   0.5 A added to upper limits of distances involving methyl groups.
REAMRK
REMARK   Pseudoatom corrections added according to K. Wuthrich (1986) NMR
REMARK   of proteins and nucleic acids. John Wiley, New York.

REMARK
REMARK   1. INTRA-RESIDUE DISTANCE CONSTRAINTS
REMARK

!HN-HA constraints
assign (resid   4 and  name HN   )(resid   4 and  name HA   ) 2.6 2.6 0.3
assign (resid   5 and  name HN   )(resid   5 and  name HA*  ) 2.6 2.6 1.3
assign (resid   6 and  name HN   )(resid   6 and  name HA   ) 2.6 2.6 0.3
assign (resid   7 and  name HN   )(resid   7 and  name HA   ) 2.6 2.6 0.3
assign (resid   8 and  name HN   )(resid   8 and  name HA   ) 2.6 2.6 0.3
assign (resid  11 and  name HN   )(resid  11 and  name HA   ) 3.0 3.0 0.5
assign (resid  16 and  name HN   )(resid  16 and  name HA   ) 2.6 2.6 0.3
assign (resid  17 and  name HN   )(resid  17 and  name HA   ) 2.2 2.2 0.1
assign (resid  18 and  name HN   )(resid  18 and  name HA   ) 2.6 2.6 0.3
assign (resid  23 and  name HN   )(resid  23 and  name HA   ) 2.6 2.6 0.3
assign (resid  25 and  name HN   )(resid  25 and  name HA*  ) 2.6 2.6 1.3
assign (resid  34 and  name HN   )(resid  34 and  name HA   ) 2.6 2.6 0.3
assign (resid  35 and  name HN   )(resid  35 and  name HA   ) 2.6 2.6 0.3
assign (resid  36 and  name HN   )(resid  36 and  name HA   ) 2.6 2.6 0.3
assign (resid  37 and  name HN   )(resid  37 and  name HA   ) 2.6 2.6 0.3
assign (resid  39 and  name HN   )(resid  39 and  name HA   ) 2.6 2.6 0.3
assign (resid  40 and  name HN   )(resid  40 and  name HA   ) 2.6 2.6 0.3
assign (resid  41 and  name HN   )(resid  41 and  name HA   ) 2.6 2.6 0.3
assign (resid  42 and  name HN   )(resid  42 and  name HA   ) 2.6 2.6 0.3
assign (resid  43 and  name HN   )(resid  43 and  name HA   ) 2.6 2.6 0.3
assign (resid  44 and  name HN   )(resid  44 and  name HA   ) 2.6 2.6 0.3
assign (resid  45 and  name HN   )(resid  45 and  name HA   ) 2.6 2.6 0.3


!HN-HB* constraints
assign (resid   8 and  name HN   )(resid   8 and  name HB2  ) 2.6 2.6 0.3
assign (resid  10 and  name HN   )(resid  10 and  name HB2  ) 2.6 2.6 0.3
assign (resid  11 and  name HN   )(resid  11 and  name HB   ) 2.6 2.6 0.3
assign (resid  16 and  name HN   )(resid  16 and  name HB1  ) 3.0 3.0 0.5
assign (resid  17 and  name HN   )(resid  17 and  name HB2  ) 3.0 3.0 0.5
assign (resid  19 and  name HN   )(resid  19 and  name HB2  ) 2.6 2.6 0.3
assign (resid  20 and  name HN   )(resid  20 and  name HB1  ) 3.0 3.0 0.5
assign (resid  20 and  name HN   )(resid  20 and  name HB2  ) 3.0 3.0 0.5
assign (resid  21 and  name HN   )(resid  21 and  name HB1  ) 2.6 2.6 0.3
assign (resid  21 and  name HN   )(resid  21 and  name HB2  ) 2.6 2.6 0.3
assign (resid  26 and  name HN   )(resid  26 and  name HB1  ) 2.6 2.6 0.3
assign (resid  26 and  name HN   )(resid  26 and  name HB2  ) 2.6 2.6 0.3
assign (resid  27 and  name HN   )(resid  27 and  name HB   ) 3.0 3.0 0.5
assign (resid  30 and  name HN   )(resid  30 and  name HB2  ) 3.0 3.0 0.5
assign (resid  34 and  name HN   )(resid  34 and  name HB2  ) 3.0 3.0 0.5
assign (resid  38 and  name HN   )(resid  38 and  name HB*  ) 2.6 2.6 1.3
assign (resid  41 and  name HN   )(resid  41 and  name HB2  ) 2.6 2.6 0.3
assign (resid  43 and  name HN   )(resid  43 and  name HB1  ) 2.6 2.6 0.3
assign (resid  43 and  name HN   )(resid  43 and  name HB2  ) 3.0 3.0 0.5

!HN-HG*/HD* constraints in Ile/Leu/Val
assign (resid   7 and  name HN   )(resid   7 and  name HG2* ) 3.0 3.0 2.0
assign (resid  22 and  name HN   )(resid  22 and  name HG   ) 2.6 2.6 0.3
assign (resid  29 and  name HN   )(resid  29 and  name HG2* ) 2.6 2.6 1.8
assign (resid  36 and  name HN   )(resid  36 and  name HD*  ) 3.0 3.0 2.0
assign (resid  40 and  name HN   )(resid  40 and  name HD*  ) 3.0 3.0 2.0
assign (resid  40 and  name HN   )(resid  40 and  name HG1* ) 3.0 3.0 1.5
assign (resid  42 and  name HN   )(resid  42 and  name HG2* ) 2.6 2.6 1.8

!HA-HB* constraints
assign (resid   7 and  name HA   )(resid   7 and  name HB   ) 3.0 3.0 0.5
assign (resid   8 and  name HA   )(resid   8 and  name HB1  ) 2.6 2.6 0.3
assign (resid  10 and  name HA   )(resid  10 and  name HB1  ) 2.6 2.6 0.3
assign (resid  11 and  name HA   )(resid  11 and  name HB   ) 3.0 3.0 0.5
assign (resid  16 and  name HA   )(resid  16 and  name HB1  ) 2.6 2.6 0.3
assign (resid  16 and  name HA   )(resid  16 and  name HB2  ) 2.6 2.6 0.3
assign (resid  17 and  name HA   )(resid  17 and  name HB1  ) 2.6 2.6 0.3
assign (resid  18 and  name HA   )(resid  18 and  name HB   ) 2.6 2.6 0.3
assign (resid  19 and  name HA   )(resid  19 and  name HB1  ) 2.6 2.6 0.3
assign (resid  21 and  name HA   )(resid  21 and  name HB2  ) 2.6 2.6 0.3
assign (resid  22 and  name HA   )(resid  22 and  name HB1  ) 2.6 2.6 0.3
assign (resid  26 and  name HA   )(resid  26 and  name HB2  ) 2.6 2.6 0.3
assign (resid  27 and  name HA   )(resid  27 and  name HB   ) 3.0 3.0 0.5
assign (resid  29 and  name HA   )(resid  29 and  name HB   ) 2.2 2.2 0.1
assign (resid  30 and  name HA   )(resid  30 and  name HB1  ) 2.6 2.6 0.3
assign (resid  34 and  name HA   )(resid  34 and  name HB2  ) 2.6 2.6 0.3
assign (resid  39 and  name HA   )(resid  39 and  name HB2  ) 2.6 2.6 0.3
assign (resid  40 and  name HA   )(resid  40 and  name HB   ) 3.0 3.0 0.5
assign (resid  41 and  name HA   )(resid  41 and  name HB2  ) 2.6 2.6 0.3
assign (resid  43 and  name HA   )(resid  43 and  name HB1  ) 2.6 2.6 0.3

!HA-HG2* constraints in Thr
assign (resid  18 and  name HA   )(resid  18 and  name HG2* ) 2.6 2.6 1.8
assign (resid  27 and  name HA   )(resid  27 and  name HG2* ) 2.6 2.6 1.8
assign (resid  29 and  name HA   )(resid  29 and  name HG2* ) 2.6 2.6 1.8

!HB-HX constaints (HX = miscellaneous proton)
assign (resid   7 and  name HB   )(resid   7 and  name HD*  ) 3.0 3.0 2.0
assign (resid  39 and  name HB*  )(resid  39 and  name HD1  ) 2.6 2.6 1.3
assign (resid  43 and  name HB*  )(resid  43 and  name HD1  ) 3.0 3.0 1.5

!HB-ring proton constraints (Phe/Tyr)
assign (resid  10 and  name HN   )(resid  10 and  name HD*  ) 3.0 3.0 2.5
assign (resid  10 and  name HA   )(resid  10 and  name HD*  ) 3.0 3.0 2.5
assign (resid  19 and  name HN   )(resid  19 and  name HD*  ) 2.6 2.6 2.3
assign (resid  19 and  name HA   )(resid  19 and  name HD*  ) 2.6 2.6 2.3
assign (resid  23 and  name HN   )(resid  23 and  name HD*  ) 3.0 3.0 2.5
assign (resid  23 and  name HA   )(resid  23 and  name HD*  ) 3.0 3.0 2.5
assign (resid  30 and  name HN   )(resid  30 and  name HD*  ) 3.0 3.0 2.5
assign (resid  30 and  name HA   )(resid  30 and  name HD*  ) 3.0 3.0 2.5
assign (resid  34 and  name HN   )(resid  34 and  name HD*  ) 3.0 3.0 2.5
assign (resid  34 and  name HA   )(resid  34 and  name HD*  ) 3.0 3.0 2.5

!Other
assign (resid  41 and  name HG*  )(resid  41 and  name HE22 ) 2.6 2.6 1.3

REMARK
REMARK   2. INTER-RESIDUE DISTANCE CONSTRAINTS
REMARK
REMARK      Inter-residue constraints are ordered by residue number and
REMARK      alphabetically by proton name within residue
REMARK

assign (resid   2 and  name HN   )(resid   3 and  name HD*  ) 4.0 4.0 2.0
assign (resid   2 and  name HA   )(resid   3 and  name HB*  ) 4.0 4.0 2.0
assign (resid   2 and  name HA   )(resid   3 and  name HG*  ) 4.0 4.0 2.0
assign (resid   2 and  name HA   )(resid   3 and  name HD*  ) 3.0 3.0 1.5
assign (resid   2 and  name HD*  )(resid   3 and  name HD*  ) 3.0 3.0 4.4

assign (resid   3 and  name HA   )(resid   4 and  name HN   ) 2.2 2.2 0.1
assign (resid   3 and  name HA   )(resid   5 and  name HN   ) 4.0 4.0 1.0
assign (resid   3 and  name HA   )(resid   4 and  name HA   ) 4.0 4.0 1.0
assign (resid   3 and  name HB*  )(resid   5 and  name HN   ) 4.0 4.0 2.0
assign (resid   3 and  name HD*  )(resid   4 and  name HN   ) 4.0 4.0 2.0

assign (resid   4 and  name HN   )(resid   5 and  name HN   ) 3.0 3.0 0.5
assign (resid   4 and  name HA   )(resid   5 and  name HN   ) 2.6 2.6 0.3
assign (resid   4 and  name HA   )(resid   6 and  name HN   ) 4.0 4.0 1.0
assign (resid   4 and  name HA   )(resid   7 and  name HB   ) 4.0 4.0 1.0
assign (resid   4 and  name HA   )(resid   7 and  name HD*  ) 4.0 4.0 2.5
assign (resid   4 and  name HB*  )(resid   5 and  name HN   ) 3.0 3.0 1.5
assign (resid   4 and  name HG*  )(resid   5 and  name HN   ) 4.0 4.0 2.0
assign (resid   4 and  name HD*  )(resid   5 and  name HN   ) 4.0 4.0 2.0
assign (resid   4 and  name HE   )(resid   5 and  name HN   ) 4.0 4.0 1.0

assign (resid   5 and  name HN   )(resid   6 and  name HN   ) 2.6 2.6 0.3

assign (resid   6 and  name HN   )(resid   7 and  name HN   ) 2.6 2.6 0.3
assign (resid   6 and  name HN   )(resid   7 and  name HG2* ) 4.0 4.0 2.5
assign (resid   6 and  name HN   )(resid   7 and  name HD*  ) 3.0 3.0 2.0
assign (resid   6 and  name HA   )(resid   7 and  name HN   ) 3.0 3.0 0.5
assign (resid   6 and  name HA   )(resid   9 and  name HN   ) 4.0 4.0 1.0
assign (resid   6 and  name HA   )(resid   9 and  name HG*  ) 4.0 4.0 2.0
assign (resid   6 and  name HA   )(resid   9 and  name HE*  ) 4.0 4.0 2.0
assign (resid   6 and  name HB*  )(resid   7 and  name HN   ) 4.0 4.0 2.0
assign (resid   6 and  name HB*  )(resid   8 and  name HN   ) 4.0 4.0 2.0

assign (resid   7 and  name HN   )(resid   8 and  name HN   ) 2.6 2.6 0.3
assign (resid   7 and  name HA   )(resid   8 and  name HN   ) 3.0 3.0 0.5
assign (resid   7 and  name HB   )(resid   8 and  name HN   ) 3.0 3.0 0.5
assign (resid   7 and  name HG1* )(resid   8 and  name HN   ) 4.0 4.0 2.0
assign (resid   7 and  name HG2* )(resid   8 and  name HN   ) 3.0 3.0 2.0
assign (resid   7 and  name HG2* )(resid  40 and  name HN   ) 4.0 4.0 2.5
assign (resid   7 and  name HG2* )(resid  40 and  name HA   ) 4.0 4.0 2.5
assign (resid   7 and  name HD*  )(resid   8 and  name HN   ) 3.0 3.0 2.0
assign (resid   7 and  name HD*  )(resid  40 and  name HN   ) 4.0 4.0 2.5
assign (resid   7 and  name HD*  )(resid  40 and  name HA   ) 4.0 4.0 2.5
assign (resid   7 and  name HD*  )(resid  40 and  name HG2* ) 4.0 4.0 4.0
assign (resid   7 and  name HD*  )(resid  40 and  name HD*  ) 4.0 4.0 4.0
assign (resid   7 and  name HD*  )(resid  41 and  name HN   ) 4.0 4.0 2.5
assign (resid   7 and  name HD*  )(resid  41 and  name HA   ) 4.0 4.0 2.5
assign (resid   7 and  name HD*  )(resid  41 and  name HB*  ) 4.0 4.0 3.5
assign (resid   7 and  name HD*  )(resid  41 and  name HG*  ) 4.0 4.0 3.5
assign (resid   7 and  name HD*  )(resid  41 and  name HE22 ) 3.0 3.0 2.0

assign (resid   8 and  name HN   )(resid   9 and  name HN   ) 2.6 2.6 0.3
assign (resid   8 and  name HA   )(resid   9 and  name HN   ) 3.0 3.0 0.5
assign (resid   8 and  name HA   )(resid  10 and  name HN   ) 3.0 3.0 0.5
assign (resid   8 and  name HA   )(resid  11 and  name HN   ) 4.0 4.0 1.0
assign (resid   8 and  name HA   )(resid  11 and  name HB   ) 3.0 3.0 0.5
assign (resid   8 and  name HA   )(resid  11 and  name HG*  ) 3.0 3.0 3.4
assign (resid   8 and  name HB*  )(resid   9 and  name HN   ) 3.0 3.0 1.5
assign (resid   8 and  name HB*  )(resid  11 and  name HG*  ) 4.0 4.0 4.9

assign (resid   9 and  name HN   )(resid  10 and  name HN   ) 2.6 2.6 0.3
assign (resid   9 and  name HA   )(resid  10 and  name HN   ) 3.0 3.0 0.5
assign (resid   9 and  name HB*  )(resid  10 and  name HN   ) 3.0 3.0 1.5
assign (resid   9 and  name HG*  )(resid  10 and  name HN   ) 4.0 4.0 2.0
assign (resid   9 and  name HG*  )(resid  10 and  name HE*  ) 3.0 3.0 3.5
assign (resid   9 and  name HD*  )(resid  10 and  name HE*  ) 2.6 2.6 3.3
assign (resid   9 and  name HE*  )(resid  10 and  name HE*  ) 2.6 2.6 3.3

assign (resid  10 and  name HN   )(resid  11 and  name HN   ) 2.6 2.6 0.3
assign (resid  10 and  name HN   )(resid  22 and  name HD*  ) 3.0 3.0 3.4
assign (resid  10 and  name HN   )(resid  40 and  name HG2* ) 4.0 4.0 2.5
assign (resid  10 and  name HN   )(resid  40 and  name HD*  ) 3.0 3.0 2.0
assign (resid  10 and  name HA   )(resid  11 and  name HN   ) 3.0 3.0 0.5
assign (resid  10 and  name HA   )(resid  23 and  name HN   ) 4.0 4.0 1.0
assign (resid  10 and  name HB*  )(resid  11 and  name HN   ) 4.0 4.0 2.0
assign (resid  10 and  name HB*  )(resid  22 and  name HN   ) 4.0 4.0 2.0
assign (resid  10 and  name HB*  )(resid  23 and  name HN   ) 3.0 3.0 1.5
assign (resid  10 and  name HB*  )(resid  40 and  name HG2* ) 4.0 4.0 3.5
assign (resid  10 and  name HB*  )(resid  40 and  name HD*  ) 4.0 4.0 3.5
assign (resid  10 and  name HD*  )(resid  11 and  name HN   ) 4.0 4.0 3.0
assign (resid  10 and  name HD*  )(resid  22 and  name HA   ) 4.0 4.0 3.0
assign (resid  10 and  name HD*  )(resid  22 and  name HN   ) 4.0 4.0 3.0
assign (resid  10 and  name HE*  )(resid  22 and  name HN   ) 4.0 4.0 3.0
assign (resid  10 and  name HD*  )(resid  22 and  name HD*  ) 2.6 2.6 5.2
assign (resid  10 and  name HE*  )(resid  22 and  name HD*  ) 2.6 2.6 5.2
assign (resid  10 and  name HD*  )(resid  23 and  name HN   ) 4.0 4.0 3.0
assign (resid  10 and  name HE*  )(resid  23 and  name HN   ) 4.0 4.0 3.0
assign (resid  10 and  name HD*  )(resid  23 and  name HA   ) 3.0 3.0 2.5
assign (resid  10 and  name HE*  )(resid  23 and  name HA   ) 3.0 3.0 2.5
assign (resid  10 and  name HD*  )(resid  23 and  name HB*  ) 4.0 4.0 4.0
assign (resid  10 and  name HE*  )(resid  23 and  name HB*  ) 4.0 4.0 4.0
assign (resid  10 and  name HD*  )(resid  23 and  name HD*  ) 3.0 3.0 4.5
assign (resid  10 and  name HE*  )(resid  23 and  name HD*  ) 3.0 3.0 4.5
assign (resid  10 and  name HD*  )(resid  24 and  name HA   ) 4.0 4.0 3.0
assign (resid  10 and  name HD*  )(resid  24 and  name HD*  ) 3.0 3.0 3.5
assign (resid  10 and  name HE*  )(resid  24 and  name HD*  ) 2.6 2.6 3.3
assign (resid  10 and  name HD*  )(resid  40 and  name HG2* ) 3.0 3.0 4.0
assign (resid  10 and  name HE*  )(resid  40 and  name HG2* ) 4.0 4.0 4.5
assign (resid  10 and  name HD*  )(resid  40 and  name HD*  ) 3.0 3.0 4.0
assign (resid  10 and  name HD*  )(resid  44 and  name HD*  ) 3.0 3.0 5.4
assign (resid  10 and  name HE*  )(resid  44 and  name HD*  ) 2.6 2.6 5.2

assign (resid  11 and  name HN   )(resid  12 and  name HN   ) 4.0 4.0 1.0
assign (resid  11 and  name HN   )(resid  22 and  name HD*  ) 4.0 4.0 3.9
assign (resid  11 and  name HA   )(resid  12 and  name HN   ) 2.6 2.6 0.3
assign (resid  11 and  name HA   )(resid  22 and  name HN   ) 3.0 3.0 0.5
assign (resid  11 and  name HB   )(resid  12 and  name HN   ) 4.0 4.0 1.0
assign (resid  11 and  name HG*  )(resid  12 and  name HN   ) 2.6 2.6 3.2
assign (resid  11 and  name HG*  )(resid  13 and  name HN   ) 3.0 3.0 3.4
assign (resid  11 and  name HG*  )(resid  19 and  name HA   ) 4.0 4.0 3.9
assign (resid  11 and  name HG*  )(resid  19 and  name HD*  ) 3.0 3.0 5.4
assign (resid  11 and  name HG*  )(resid  19 and  name HE*  ) 3.0 3.0 5.4
assign (resid  11 and  name HG*  )(resid  19 and  name HZ   ) 4.0 4.0 3.9
assign (resid  11 and  name HG*  )(resid  20 and  name HN   ) 3.0 3.0 3.4
assign (resid  11 and  name HG*  )(resid  22 and  name HN   ) 4.0 4.0 3.9
assign (resid  11 and  name HG*  )(resid  23 and  name HN   ) 4.0 4.0 3.9
assign (resid  11 and  name HG*  )(resid  36 and  name HD*  ) 2.6 2.6 4.7

assign (resid  12 and  name HN   )(resid  20 and  name HN   ) 3.0 3.0 0.5
assign (resid  12 and  name HN   )(resid  21 and  name HA   ) 3.0 3.0 0.5
assign (resid  12 and  name HN   )(resid  22 and  name HD*  ) 3.0 3.0 3.4
assign (resid  12 and  name HN   )(resid  36 and  name HD*  ) 4.0 4.0 2.5
assign (resid  12 and  name HA   )(resid  13 and  name HN   ) 2.6 2.6 0.3
assign (resid  12 and  name HA   )(resid  22 and  name HD*  ) 3.0 3.0 3.4
assign (resid  12 and  name HB*  )(resid  13 and  name HN   ) 4.0 4.0 2.0
assign (resid  12 and  name HE*  )(resid  14 and  name HE*  ) 4.0 4.0 3.5
assign (resid  12 and  name HE*  )(resid  22 and  name HD*  ) 3.0 3.0 4.4

assign (resid  13 and  name HN   )(resid  19 and  name HA   ) 4.0 4.0 1.0
assign (resid  13 and  name HN   )(resid  19 and  name HD*  ) 4.0 4.0 3.0
assign (resid  13 and  name HN   )(resid  19 and  name HE*  ) 4.0 4.0 3.0
assign (resid  13 and  name HN   )(resid  20 and  name HN   ) 4.0 4.0 1.0
assign (resid  13 and  name HN   )(resid  22 and  name HD*  ) 4.0 4.0 3.9
assign (resid  13 and  name HA   )(resid  14 and  name HN   ) 2.6 2.6 0.3
assign (resid  13 and  name HA   )(resid  19 and  name HD*  ) 3.0 3.0 2.5
assign (resid  13 and  name HA   )(resid  19 and  name HE*  ) 3.0 3.0 2.5
assign (resid  13 and  name HA   )(resid  19 and  name HZ   ) 4.0 4.0 1.0
assign (resid  13 and  name HA   )(resid  19 and  name HA   ) 2.6 2.6 0.3
assign (resid  13 and  name HA   )(resid  20 and  name HN   ) 4.0 4.0 1.0
assign (resid  13 and  name HB*  )(resid  19 and  name HD*  ) 3.0 3.0 3.5
assign (resid  13 and  name HB*  )(resid  19 and  name HE*  ) 2.6 2.6 3.3
assign (resid  13 and  name HB*  )(resid  19 and  name HZ   ) 3.0 3.0 1.5
assign (resid  13 and  name HB*  )(resid  19 and  name HA   ) 4.0 4.0 2.0
assign (resid  13 and  name HG*  )(resid  14 and  name HN   ) 4.0 4.0 2.0
assign (resid  13 and  name HG*  )(resid  19 and  name HD*  ) 4.0 4.0 4.0
assign (resid  13 and  name HG*  )(resid  19 and  name HE*  ) 4.0 4.0 4.0

assign (resid  14 and  name HN   )(resid  18 and  name HN   ) 4.0 4.0 1.0
assign (resid  14 and  name HN   )(resid  19 and  name HA   ) 3.0 3.0 0.5
assign (resid  14 and  name HN   )(resid  19 and  name HD*  ) 4.0 4.0 3.0
assign (resid  14 and  name HN   )(resid  19 and  name HE*  ) 4.0 4.0 3.0
assign (resid  14 and  name HA   )(resid  16 and  name HN   ) 4.0 4.0 1.0
assign (resid  14 and  name HA   )(resid  15 and  name HD*  ) 2.6 2.6 1.3
assign (resid  14 and  name HB*  )(resid  16 and  name HN   ) 4.0 4.0 2.0
assign (resid  14 and  name HE*  )(resid  15 and  name HD*  ) 4.0 4.0 3.5
assign (resid  14 and  name HE*  )(resid  16 and  name HN   ) 4.0 4.0 2.5
assign (resid  14 and  name HE*  )(resid  19 and  name HA   ) 4.0 4.0 2.5

assign (resid  15 and  name HA   )(resid  16 and  name HN   ) 3.0 3.0 0.5

assign (resid  16 and  name HN   )(resid  17 and  name HN   ) 2.6 2.6 0.3
assign (resid  16 and  name HN   )(resid  18 and  name HN   ) 4.0 4.0 1.0
assign (resid  16 and  name HA   )(resid  17 and  name HN   ) 3.0 3.0 0.5
assign (resid  16 and  name HB*  )(resid  17 and  name HN   ) 4.0 4.0 2.0

assign (resid  17 and  name HN   )(resid  18 and  name HN   ) 3.0 3.0 0.5
assign (resid  17 and  name HN   )(resid  18 and  name HB   ) 4.0 4.0 1.0
assign (resid  17 and  name HN   )(resid  32 and  name HN   ) 4.0 4.0 1.0
assign (resid  17 and  name HA   )(resid  18 and  name HN   ) 2.6 2.6 0.3

assign (resid  18 and  name HA   )(resid  19 and  name HN   ) 2.6 2.6 0.3
assign (resid  18 and  name HA   )(resid  19 and  name HD*  ) 3.0 3.0 2.5
assign (resid  18 and  name HA   )(resid  19 and  name HE*  ) 4.0 4.0 3.0
assign (resid  18 and  name HB   )(resid  19 and  name HN   ) 2.6 2.6 0.3
assign (resid  18 and  name HG2* )(resid  19 and  name HN   ) 3.0 3.0 2.0
assign (resid  18 and  name HG2* )(resid  19 and  name HA   ) 4.0 4.0 2.5
assign (resid  18 and  name HG2* )(resid  31 and  name HA   ) 3.0 3.0 2.0

assign (resid  19 and  name HN   )(resid  29 and  name HB   ) 4.0 4.0 1.0
assign (resid  19 and  name HN   )(resid  29 and  name HG2* ) 4.0 4.0 2.5
assign (resid  19 and  name HN   )(resid  30 and  name HN   ) 3.0 3.0 0.5
assign (resid  19 and  name HN   )(resid  31 and  name HA   ) 4.0 4.0 1.0
assign (resid  19 and  name HA   )(resid  20 and  name HN   ) 2.6 2.6 0.3
assign (resid  19 and  name HA   )(resid  36 and  name HD*  ) 4.0 4.0 2.5
assign (resid  19 and  name HB2  )(resid  20 and  name HN   ) 4.0 4.0 1.0
assign (resid  19 and  name HB*  )(resid  30 and  name HN   ) 4.0 4.0 2.0
assign (resid  19 and  name HB1  )(resid  36 and  name HD*  ) 4.0 4.0 2.5
assign (resid  19 and  name HD*  )(resid  20 and  name HN   ) 3.0 3.0 2.5
assign (resid  19 and  name HE*  )(resid  20 and  name HN   ) 4.0 4.0 3.0
assign (resid  19 and  name HD*  )(resid  31 and  name HN   ) 4.0 4.0 3.0
assign (resid  19 and  name HE*  )(resid  31 and  name HN   ) 4.0 4.0 3.0
assign (resid  19 and  name HD*  )(resid  33 and  name HN   ) 4.0 4.0 3.0
assign (resid  19 and  name HE*  )(resid  33 and  name HN   ) 3.0 3.0 2.5
assign (resid  19 and  name HZ   )(resid  33 and  name HN   ) 4.0 4.0 1.0
assign (resid  19 and  name HD*  )(resid  33 and  name HA   ) 4.0 4.0 3.0
assign (resid  19 and  name HE*  )(resid  33 and  name HA   ) 4.0 4.0 3.0
assign (resid  19 and  name HD*  )(resid  36 and  name HD*  ) 4.0 4.0 4.5
assign (resid  19 and  name HE*  )(resid  36 and  name HD*  ) 3.0 3.0 4.0
assign (resid  19 and  name HZ   )(resid  36 and  name HD*  ) 3.0 3.0 2.0

assign (resid  20 and  name HN   )(resid  22 and  name HD*  ) 4.0 4.0 3.9
assign (resid  20 and  name HN   )(resid  29 and  name HA   ) 4.0 4.0 1.0
assign (resid  20 and  name HN   )(resid  36 and  name HD*  ) 4.0 4.0 2.5
assign (resid  20 and  name HA   )(resid  21 and  name HN   ) 4.0 4.0 1.0
assign (resid  20 and  name HA   )(resid  30 and  name HN   ) 4.0 4.0 1.0
assign (resid  20 and  name HA   )(resid  29 and  name HA   ) 2.6 2.6 0.3
assign (resid  20 and  name HA   )(resid  29 and  name HB   ) 4.0 4.0 1.0
assign (resid  20 and  name HA   )(resid  29 and  name HG2* ) 3.0 3.0 2.0
assign (resid  20 and  name HB*  )(resid  21 and  name HN   ) 4.0 4.0 2.0
assign (resid  20 and  name HG*  )(resid  21 and  name HN   ) 4.0 4.0 2.0
assign (resid  20 and  name HB*  )(resid  29 and  name HA   ) 4.0 4.0 2.0

assign (resid  21 and  name HN   )(resid  22 and  name HN   ) 4.0 4.0 1.0
assign (resid  21 and  name HN   )(resid  30 and  name HN   ) 4.0 4.0 1.0
assign (resid  21 and  name HN   )(resid  29 and  name HA   ) 3.0 3.0 0.5
assign (resid  21 and  name HN   )(resid  29 and  name HB   ) 4.0 4.0 1.0
assign (resid  21 and  name HN   )(resid  29 and  name HG2* ) 3.0 3.0 2.0
assign (resid  21 and  name HA   )(resid  22 and  name HN   ) 2.6 2.6 0.3
assign (resid  21 and  name HA   )(resid  23 and  name HN   ) 3.0 3.0 0.5
assign (resid  21 and  name HB*  )(resid  22 and  name HN   ) 4.0 4.0 2.0
assign (resid  21 and  name HB*  )(resid  28 and  name HN   ) 4.0 4.0 2.0
assign (resid  21 and  name HB*  )(resid  39 and  name HD2  ) 3.0 3.0 1.5
assign (resid  21 and  name HB*  )(resid  39 and  name HE1  ) 4.0 4.0 2.0
assign (resid  21 and  name HB2  )(resid  36 and  name HG1* ) 4.0 4.0 2.0
assign (resid  21 and  name HB2  )(resid  36 and  name HD*  ) 4.0 4.0 2.5

assign (resid  22 and  name HN   )(resid  23 and  name HN   ) 3.0 3.0 0.5
assign (resid  22 and  name HN   )(resid  23 and  name HD*  ) 4.0 4.0 3.0
assign (resid  22 and  name HA   )(resid  23 and  name HN   ) 3.0 3.0 0.5
assign (resid  22 and  name HB*  )(resid  23 and  name HN   ) 4.0 4.0 2.0
assign (resid  22 and  name HD*  )(resid  23 and  name HN   ) 4.0 4.0 3.9

assign (resid  23 and  name HN   )(resid  24 and  name HD*  ) 4.0 4.0 2.0
assign (resid  23 and  name HN   )(resid  26 and  name HN   ) 4.0 4.0 1.0
assign (resid  23 and  name HN   )(resid  26 and  name HB*  ) 4.0 4.0 2.0
assign (resid  23 and  name HA   )(resid  24 and  name HD*  ) 3.0 3.0 1.5
assign (resid  23 and  name HA   )(resid  44 and  name HD*  ) 4.0 4.0 3.9
assign (resid  23 and  name HB*  )(resid  26 and  name HN   ) 4.0 4.0 2.0
assign (resid  23 and  name HB*  )(resid  26 and  name HB*  ) 3.0 3.0 2.5
assign (resid  23 and  name HD*  )(resid  24 and  name HB*  ) 4.0 4.0 4.0
assign (resid  23 and  name HE*  )(resid  24 and  name HB*  ) 4.0 4.0 4.0
assign (resid  23 and  name HD*  )(resid  24 and  name HD*  ) 4.0 4.0 4.0
assign (resid  23 and  name HD*  )(resid  26 and  name HN   ) 3.0 3.0 2.5
assign (resid  23 and  name HE*  )(resid  26 and  name HN   ) 4.0 4.0 3.0
assign (resid  23 and  name HD*  )(resid  26 and  name HB*  ) 4.0 4.0 4.0
assign (resid  23 and  name HE*  )(resid  26 and  name HB*  ) 4.0 4.0 4.0
assign (resid  23 and  name HD*  )(resid  43 and  name HD2  ) 4.0 4.0 3.0
assign (resid  23 and  name HE*  )(resid  43 and  name HD2  ) 4.0 4.0 3.0
assign (resid  23 and  name HD*  )(resid  43 and  name HE1  ) 3.0 3.0 2.5
assign (resid  23 and  name HE*  )(resid  43 and  name HE1  ) 3.0 3.0 2.5
assign (resid  23 and  name HZ   )(resid  43 and  name HE1  ) 4.0 4.0 1.0
assign (resid  23 and  name HD*  )(resid  44 and  name HD*  ) 3.0 3.0 5.4
assign (resid  23 and  name HE*  )(resid  44 and  name HD*  ) 2.6 2.6 5.2
assign (resid  23 and  name HZ   )(resid  44 and  name HD*  ) 3.0 3.0 3.4

assign (resid  24 and  name HA   )(resid  25 and  name HN   ) 2.2 2.2 0.1
assign (resid  24 and  name HA   )(resid  26 and  name HN   ) 3.0 3.0 0.5
assign (resid  24 and  name HB*  )(resid  25 and  name HN   ) 3.0 3.0 1.5

assign (resid  25 and  name HN   )(resid  26 and  name HN   ) 2.6 2.6 0.3
assign (resid  25 and  name HA*  )(resid  26 and  name HN   ) 3.0 3.0 1.5
assign (resid  25 and  name HN   )(resid  26 and  name HB*  ) 4.0 4.0 2.0

assign (resid  26 and  name HN   )(resid  43 and  name HE1  ) 3.0 3.0 0.5
assign (resid  26 and  name HA   )(resid  27 and  name HN   ) 2.6 2.6 0.3
assign (resid  26 and  name HA   )(resid  28 and  name HN   ) 4.0 4.0 1.0
assign (resid  26 and  name HA   )(resid  43 and  name HE1  ) 3.0 3.0 0.5
assign (resid  26 and  name HB*  )(resid  27 and  name HN   ) 3.0 3.0 1.5
assign (resid  26 and  name HB2  )(resid  43 and  name HE1  ) 2.6 2.6 0.3

assign (resid  27 and  name HN   )(resid  28 and  name HN   ) 2.6 2.6 0.3
assign (resid  27 and  name HA   )(resid  28 and  name HN   ) 3.0 3.0 0.5
assign (resid  27 and  name HB   )(resid  28 and  name HN   ) 4.0 4.0 1.0
assign (resid  27 and  name HG2* )(resid  28 and  name HN   ) 4.0 4.0 2.5

assign (resid  28 and  name HN   )(resid  29 and  name HN   ) 4.0 4.0 1.0
assign (resid  28 and  name HN   )(resid  30 and  name HE*  ) 4.0 4.0 3.0
assign (resid  28 and  name HN   )(resid  30 and  name HZ   ) 4.0 4.0 1.0
assign (resid  28 and  name HN   )(resid  39 and  name HE1  ) 4.0 4.0 1.0
assign (resid  28 and  name HA   )(resid  29 and  name HN   ) 2.6 2.6 0.3
assign (resid  28 and  name HA   )(resid  30 and  name HE*  ) 3.0 3.0 2.5
assign (resid  28 and  name HB*  )(resid  30 and  name HZ   ) 4.0 4.0 2.0
assign (resid  28 and  name HB*  )(resid  39 and  name HE1  ) 4.0 4.0 2.0
assign (resid  28 and  name HE*  )(resid  29 and  name HN   ) 4.0 4.0 2.0
assign (resid  28 and  name HE*  )(resid  39 and  name HE1  ) 3.0 3.0 1.5

assign (resid  29 and  name HA   )(resid  30 and  name HN   ) 2.6 2.6 0.3
assign (resid  29 and  name HA   )(resid  30 and  name HD*  ) 4.0 4.0 3.0
assign (resid  29 and  name HA   )(resid  30 and  name HE*  ) 4.0 4.0 3.0
assign (resid  29 and  name HB   )(resid  30 and  name HN   ) 3.0 3.0 0.5
assign (resid  29 and  name HG2* )(resid  30 and  name HN   ) 4.0 4.0 2.5

assign (resid  30 and  name HN   )(resid  36 and  name HD*  ) 4.0 4.0 2.5
assign (resid  30 and  name HA   )(resid  31 and  name HN   ) 3.0 3.0 0.5
assign (resid  30 and  name HA   )(resid  31 and  name HA   ) 4.0 4.0 1.0
assign (resid  30 and  name HB*  )(resid  31 and  name HN   ) 3.0 3.0 1.5
assign (resid  30 and  name HB1  )(resid  36 and  name HD*  ) 4.0 4.0 2.5
assign (resid  30 and  name HD*  )(resid  31 and  name HN   ) 4.0 4.0 3.0
assign (resid  30 and  name HE*  )(resid  31 and  name HN   ) 4.0 4.0 3.0
assign (resid  30 and  name HD*  )(resid  36 and  name HG1* ) 3.0 3.0 3.5
assign (resid  30 and  name HE*  )(resid  36 and  name HG1* ) 3.0 3.0 3.5
assign (resid  30 and  name HD*  )(resid  36 and  name HD*  ) 3.0 3.0 4.0
assign (resid  30 and  name HE*  )(resid  36 and  name HD*  ) 3.0 3.0 4.0
assign (resid  30 and  name HZ   )(resid  36 and  name HD*  ) 4.0 4.0 2.5
assign (resid  30 and  name HE*  )(resid  39 and  name HE1  ) 3.0 3.0 2.5
assign (resid  30 and  name HZ   )(resid  39 and  name HE1  ) 4.0 4.0 1.0
assign (resid  30 and  name HZ   )(resid  39 and  name HB2  ) 4.0 4.0 1.0

assign (resid  31 and  name HN   )(resid  32 and  name HN   ) 4.0 4.0 1.0
assign (resid  31 and  name HA   )(resid  32 and  name HN   ) 3.0 3.0 0.5
assign (resid  31 and  name HB*  )(resid  32 and  name HN   ) 4.0 4.0 2.0

assign (resid  32 and  name HN   )(resid  33 and  name HN   ) 4.0 4.0 1.0

assign (resid  33 and  name HN   )(resid  34 and  name HN   ) 4.0 4.0 1.0
assign (resid  33 and  name HN   )(resid  36 and  name HD*  ) 4.0 4.0 2.5
assign (resid  33 and  name HA   )(resid  34 and  name HN   ) 4.0 4.0 1.0
assign (resid  33 and  name HB*  )(resid  34 and  name HD*  ) 3.0 3.0 3.5
assign (resid  33 and  name HB*  )(resid  34 and  name HE*  ) 4.0 4.0 4.0
assign (resid  33 and  name HB*  )(resid  35 and  name HN   ) 3.0 3.0 1.5

assign (resid  34 and  name HN   )(resid  35 and  name HN   ) 3.0 3.0 0.5
assign (resid  34 and  name HA   )(resid  35 and  name HN   ) 3.0 3.0 0.5
assign (resid  34 and  name HA   )(resid  37 and  name HN   ) 3.0 3.0 0.5
assign (resid  34 and  name HB*  )(resid  35 and  name HN   ) 3.0 3.0 1.5
assign (resid  34 and  name HD*  )(resid  35 and  name HN   ) 3.0 3.0 2.5
assign (resid  34 and  name HD*  )(resid  35 and  name HA   ) 3.0 3.0 2.5
assign (resid  34 and  name HD*  )(resid  35 and  name HD*  ) 4.0 4.0 4.0
assign (resid  34 and  name HE*  )(resid  35 and  name HD*  ) 3.0 3.0 3.5

assign (resid  35 and  name HN   )(resid  36 and  name HN   ) 2.6 2.6 0.3
assign (resid  35 and  name HN   )(resid  36 and  name HG1* ) 4.0 4.0 2.0
assign (resid  35 and  name HN   )(resid  36 and  name HD*  ) 4.0 4.0 2.5
assign (resid  35 and  name HA   )(resid  36 and  name HN   ) 3.0 3.0 0.5
assign (resid  35 and  name HA   )(resid  36 and  name HD*  ) 4.0 4.0 2.5
assign (resid  35 and  name HA   )(resid  38 and  name HN   ) 3.0 3.0 0.5
assign (resid  35 and  name HA   )(resid  38 and  name HB*  ) 2.6 2.6 1.3

assign (resid  36 and  name HN   )(resid  37 and  name HN   ) 2.6 2.6 0.3
assign (resid  36 and  name HA   )(resid  37 and  name HN   ) 3.0 3.0 0.5
assign (resid  36 and  name HG1* )(resid  37 and  name HN   ) 4.0 4.0 2.0
assign (resid  36 and  name HG1* )(resid  39 and  name HD2  ) 3.0 3.0 1.5
assign (resid  36 and  name HG1* )(resid  40 and  name HN   ) 4.0 4.0 2.0
assign (resid  36 and  name HD*  )(resid  37 and  name HN   ) 2.6 2.6 1.8
assign (resid  36 and  name HD*  )(resid  37 and  name HA   ) 4.0 4.0 2.5
assign (resid  36 and  name HD*  )(resid  38 and  name HN   ) 4.0 4.0 2.5
assign (resid  36 and  name HD*  )(resid  38 and  name HB*  ) 4.0 4.0 3.5
assign (resid  36 and  name HD*  )(resid  39 and  name HN   ) 4.0 4.0 2.5
assign (resid  36 and  name HD*  )(resid  39 and  name HD2  ) 4.0 4.0 2.5
assign (resid  36 and  name HD*  )(resid  40 and  name HN   ) 4.0 4.0 2.5
assign (resid  36 and  name HD*  )(resid  40 and  name HG1* ) 4.0 4.0 3.5
assign (resid  36 and  name HD*  )(resid  40 and  name HG2* ) 4.0 4.0 4.0
assign (resid  36 and  name HD*  )(resid  40 and  name HD*  ) 4.0 4.0 4.0

assign (resid  37 and  name HN   )(resid  38 and  name HN   ) 3.0 3.0 0.5
assign (resid  37 and  name HA   )(resid  38 and  name HN   ) 4.0 4.0 1.0
assign (resid  37 and  name HA   )(resid  40 and  name HN   ) 3.0 3.0 0.5
assign (resid  37 and  name HA   )(resid  40 and  name HB   ) 4.0 4.0 1.0
assign (resid  37 and  name HA   )(resid  40 and  name HD*  ) 3.0 3.0 2.0

assign (resid  38 and  name HN   )(resid  39 and  name HB*  ) 4.0 4.0 2.0
assign (resid  38 and  name HN   )(resid  40 and  name HN   ) 4.0 4.0 1.0
assign (resid  38 and  name HA   )(resid  39 and  name HN   ) 3.0 3.0 0.5
assign (resid  38 and  name HA   )(resid  40 and  name HN   ) 4.0 4.0 1.0
assign (resid  38 and  name HA   )(resid  41 and  name HN   ) 3.0 3.0 0.5
assign (resid  38 and  name HA   )(resid  41 and  name HB*  ) 3.0 3.0 1.5
assign (resid  38 and  name HA   )(resid  41 and  name HG*  ) 4.0 4.0 2.0
assign (resid  38 and  name HA   )(resid  41 and  name HE*  ) 3.0 3.0 1.5
assign (resid  38 and  name HB*  )(resid  39 and  name HN   ) 3.0 3.0 1.5
assign (resid  38 and  name HB*  )(resid  40 and  name HN   ) 4.0 4.0 2.0

assign (resid  39 and  name HN   )(resid  40 and  name HN   ) 2.6 2.6 0.3
assign (resid  39 and  name HA   )(resid  40 and  name HN   ) 3.0 3.0 0.5
assign (resid  39 and  name HA   )(resid  42 and  name HN   ) 3.0 3.0 0.5
assign (resid  39 and  name HA   )(resid  42 and  name HB   ) 4.0 4.0 1.0
assign (resid  39 and  name HB*  )(resid  40 and  name HN   ) 4.0 4.0 2.0
assign (resid  39 and  name HD2  )(resid  40 and  name HN   ) 2.6 2.6 0.3
assign (resid  39 and  name HD2  )(resid  43 and  name HD2  ) 3.0 3.0 0.5

assign (resid  40 and  name HN   )(resid  41 and  name HN   ) 2.6 2.6 0.3
assign (resid  40 and  name HN   )(resid  42 and  name HN   ) 4.0 4.0 1.0
assign (resid  40 and  name HN   )(resid  43 and  name HD2  ) 4.0 4.0 1.0
assign (resid  40 and  name HA   )(resid  41 and  name HN   ) 3.0 3.0 0.5
assign (resid  40 and  name HA   )(resid  43 and  name HN   ) 3.0 3.0 0.5
assign (resid  40 and  name HA   )(resid  44 and  name HN   ) 4.0 4.0 1.0
assign (resid  40 and  name HA   )(resid  43 and  name HB*  ) 3.0 3.0 1.5
assign (resid  40 and  name HA   )(resid  43 and  name HD2  ) 2.2 2.2 0.1
assign (resid  40 and  name HG2* )(resid  41 and  name HN   ) 3.0 3.0 2.0
assign (resid  40 and  name HG2* )(resid  41 and  name HE*  ) 3.0 3.0 3.0
assign (resid  40 and  name HG2* )(resid  43 and  name HD2  ) 3.0 3.0 2.0
assign (resid  40 and  name HG2* )(resid  43 and  name HE1  ) 4.0 4.0 2.5
assign (resid  40 and  name HD*  )(resid  43 and  name HD2  ) 4.0 4.0 2.5

assign (resid  41 and  name HN   )(resid  42 and  name HN   ) 2.6 2.6 0.3
assign (resid  41 and  name HA   )(resid  42 and  name HN   ) 3.0 3.0 0.5
assign (resid  41 and  name HA   )(resid  44 and  name HN   ) 3.0 3.0 0.5
assign (resid  41 and  name HA   )(resid  44 and  name HD*  ) 3.0 3.0 3.4
assign (resid  41 and  name HA   )(resid  45 and  name HN   ) 4.0 4.0 1.0
assign (resid  41 and  name HB*  )(resid  42 and  name HN   ) 2.6 2.6 1.3
assign (resid  41 and  name HG*  )(resid  42 and  name HN   ) 4.0 4.0 2.0

assign (resid  42 and  name HN   )(resid  43 and  name HN   ) 2.6 2.6 0.3
assign (resid  42 and  name HA   )(resid  43 and  name HN   ) 3.0 3.0 0.5
assign (resid  42 and  name HA   )(resid  44 and  name HN   ) 4.0 4.0 1.0
assign (resid  42 and  name HA   )(resid  45 and  name HN   ) 3.0 3.0 0.5
assign (resid  42 and  name HA   )(resid  45 and  name HB*  ) 3.0 3.0 1.5

assign (resid  43 and  name HN   )(resid  44 and  name HN   ) 3.0 3.0 0.5
assign (resid  43 and  name HA   )(resid  44 and  name HN   ) 3.0 3.0 0.5
assign (resid  43 and  name HB*  )(resid  44 and  name HN   ) 3.0 3.0 1.5
assign (resid  43 and  name HD2  )(resid  44 and  name HD*  ) 3.0 3.0 3.4

assign (resid  44 and  name HN   )(resid  45 and  name HN   ) 2.6 2.6 0.3
assign (resid  44 and  name HD*  )(resid  45 and  name HN   ) 3.0 3.0 3.4

assign (resid  45 and  name HN   )(resid  46 and  name HN   ) 3.0 3.0 0.5
assign (resid  45 and  name HA   )(resid  46 and  name HN   ) 4.0 4.0 1.0
assign (resid  45 and  name HB*  )(resid  46 and  name HN   ) 3.0 3.0 1.5
assign (resid  45 and  name HG*  )(resid  46 and  name HN   ) 3.0 3.0 1.5

assign (resid  46 and  name HN   )(resid  47 and  name HN   ) 3.0 3.0 0.5
assign (resid  46 and  name HA   )(resid  47 and  name HN   ) 4.0 4.0 1.0
assign (resid  46 and  name HB*  )(resid  47 and  name HN   ) 4.0 4.0 2.0

REMARK
REMARK   3. LOWER-LIMIT INTER-RESIDUE DISTANCE CONSTRAINTS
REMARK
REMARK    Lower-limit distance constraints included for HN-HN distances
REMARK    where corresponding HN-HN NOE is absent or of not more than one
REMARK    contour in a 200ms mixing time 2D-NOESY spectrum, the HN-HN NOE
REMARK    cross-peak is expected in a region free of overlap, and both
REMARK    NH proton NMR signals give at least one normal NOE cross-peak
REMARK    elsewhere in the spectrum.  The distance limits for these
REMARK    constraints are set as 3.3 - 10.0 A.
REMARK

assign (resid  12 and  name HN   )(resid  13 and  name HN   ) 4.0 0.7 6.0
assign (resid  13 and  name HN   )(resid  14 and  name HN   ) 4.0 0.7 6.0
assign (resid  18 and  name HN   )(resid  19 and  name HN   ) 4.0 0.7 6.0
assign (resid  19 and  name HN   )(resid  20 and  name HN   ) 4.0 0.7 6.0
assign (resid  20 and  name HN   )(resid  21 and  name HN   ) 4.0 0.7 6.0
assign (resid  29 and  name HN   )(resid  30 and  name HN   ) 4.0 0.7 6.0
assign (resid  30 and  name HN   )(resid  31 and  name HN   ) 4.0 0.7 6.0

REMARK
REMARK   4. DISTANCE CONSTRAINTS REPRESENTING HYDROGEN BONDS
REMARK
REMARK    Distance constraints representing hydrogen bonds were included
REMARK    for those 15 out of 18 HN protons which were observed to exchange
REMARK    slowly with sovent in NMR experiments, for which an unambiguous
REMARK    acceptor group could be identified from calculated structures.
REMARK    Each hydrogen bond is represented by two distance constraints as
REMARK    follows:
REMARK
REMARK    HN...O hydrogen bonds:   HN-O = 0.0 - 2.3 A
REMARK                              N-O = 0.5 - 3.3 A
REMARK    HN...S hydrogen bonds:   HN-S = 0.0 - 2.8 A
REMARK                              N-S = 0.5 - 3.8 A
REMARK

!HN-O hydrogen bonds
assign ( resid 12 and name HN   ) ( resid 20 and name O    ) 2.0 2.0 0.3
assign ( resid 12 and name N    ) ( resid 20 and name O    ) 3.0 2.5 0.3

assign ( resid 14 and name HN   ) ( resid 18 and name O    ) 2.0 2.0 0.3
assign ( resid 14 and name N    ) ( resid 18 and name O    ) 3.0 2.5 0.3

assign ( resid 17 and name HN   ) ( resid 14 and name O    ) 2.0 2.0 0.3
assign ( resid 17 and name N    ) ( resid 14 and name O    ) 3.0 2.5 0.3

assign ( resid 18 and name HN   ) ( resid 14 and name O    ) 2.0 2.0 0.3
assign ( resid 18 and name N    ) ( resid 14 and name O    ) 3.0 2.5 0.3

assign ( resid 19 and name HN   ) ( resid 30 and name O    ) 2.0 2.0 0.3
assign ( resid 19 and name N    ) ( resid 30 and name O    ) 3.0 2.5 0.3

assign ( resid 20 and name HN   ) ( resid 12 and name O    ) 2.0 2.0 0.3
assign ( resid 20 and name N    ) ( resid 12 and name O    ) 3.0 2.5 0.3

assign ( resid 22 and name HN   ) ( resid 10 and name O    ) 2.0 2.0 0.3
assign ( resid 22 and name N    ) ( resid 10 and name O    ) 3.0 2.5 0.3

assign ( resid 26 and name HN   ) ( resid 23 and name O    ) 2.0 2.0 0.3
assign ( resid 26 and name N    ) ( resid 23 and name O    ) 3.0 2.5 0.3

assign ( resid 30 and name HN   ) ( resid 19 and name O    ) 2.0 2.0 0.3
assign ( resid 30 and name N    ) ( resid 19 and name O    ) 3.0 2.5 0.3

assign ( resid 39 and name HN   ) ( resid 35 and name O    ) 2.0 2.0 0.3
assign ( resid 39 and name N    ) ( resid 35 and name O    ) 3.0 2.5 0.3

assign ( resid 40 and name HN   ) ( resid 36 and name O    ) 2.0 2.0 0.3
assign ( resid 40 and name N    ) ( resid 36 and name O    ) 3.0 2.5 0.3

assign ( resid 43 and name HN   ) ( resid 39 and name O    ) 2.0 2.0 0.3
assign ( resid 43 and name N    ) ( resid 39 and name O    ) 3.0 2.5 0.3

assign ( resid 44 and name HN   ) ( resid 40 and name O    ) 2.0 2.0 0.3
assign ( resid 44 and name N    ) ( resid 40 and name O    ) 3.0 2.5 0.3

!NH - S hydrogen bonds
assign ( resid 23 and name HN   ) ( resid 21 and name SG   ) 2.5 2.5 0.3
assign ( resid 23 and name N    ) ( resid 21 and name SG   ) 3.5 3.0 0.3

assign ( resid 28 and name HN   ) ( resid 26 and name SG   ) 2.5 2.5 0.3
assign ( resid 28 and name N    ) ( resid 26 and name SG   ) 3.5 3.0 0.3

REMARK
REMARK  B. NMR dihedral angle constraints
REMARK
REMARK   i,j,k,l are the scale factor, the mid-point angle, the angle
REMARK   half-width and the exponent, respectively. i.e. -60.0 +/-30
REMARK   indicates that the square-well torsion angle potential extends
REMARK   from -90 to -30 degrees.
REMARK

!Chi1 angle constraints
assign (resid   8  and name N )
       (resid   8  and name CA)
       (resid   8  and name CB)
       (resid   8  and name CG)  1.0  -60.0 30.0 2

assign (resid  10  and name N )
       (resid  10  and name CA)
       (resid  10  and name CB)
       (resid  10  and name CG)  1.0  -60.0 30.0 2

assign (resid  16  and name N )
       (resid  16  and name CA)
       (resid  16  and name CB)
       (resid  16  and name CG)  1.0   60.0 30.0 2

assign (resid  17  and name N )
       (resid  17  and name CA)
       (resid  17  and name CB)
       (resid  17  and name CG)  1.0  -60.0 30.0 2

assign (resid  19  and name N )
       (resid  19  and name CA)
       (resid  19  and name CB)
       (resid  19  and name CG)  1.0  -60.0 30.0 2

assign (resid  21  and name N )
       (resid  21  and name CA)
       (resid  21  and name CB)
       (resid  21  and name SG)  1.0  180.0 30.0 2

assign (resid  26  and name N )
       (resid  26  and name CA)
       (resid  26  and name CB)
       (resid  26  and name SG)  1.0  180.0 30.0 2

assign (resid  30  and name N )
       (resid  30  and name CA)
       (resid  30  and name CB)
       (resid  30  and name CG)  1.0  -60.0 30.0 2

assign (resid  34  and name N )
       (resid  34  and name CA)
       (resid  34  and name CB)
       (resid  34  and name CG)  1.0  -60.0 30.0 2






  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    THR  14          3H        THR  14 -20.333   4.670  10.025
    2   2H    THR  14          2H        THR  14 -21.359   5.629  10.981
    3   3H    THR  14          1H        THR  14 -19.702   5.988  10.884
    4    HA   THR  14           HA       THR  14 -19.895   4.939  12.932
    5    HB   THR  14           HB       THR  14 -21.106   2.518  12.689
    6    HG1  THR  14           HG1      THR  14 -21.727   2.881  10.563
    7   1HG2  THR  14          3HG2      THR  14 -21.771   5.149  13.706
    8   2HG2  THR  14          2HG2      THR  14 -23.222   4.295  13.182
    9   3HG2  THR  14          1HG2      THR  14 -22.154   3.566  14.381
   10    H    LEU  15           H        LEU  15 -18.209   4.674  10.440
   11    HA   LEU  15           HA       LEU  15 -16.490   2.554  11.419
   12   1HB   LEU  15          2HB       LEU  15 -18.501   1.849   9.499
   13   2HB   LEU  15          1HB       LEU  15 -16.921   1.753   8.720
   14    HG   LEU  15           HG       LEU  15 -16.995   0.642  11.450
   15   1HD1  LEU  15          3HD1      LEU  15 -18.684  -0.482   9.212
   16   2HD1  LEU  15          2HD1      LEU  15 -18.046  -1.509  10.497
   17   3HD1  LEU  15          1HD1      LEU  15 -19.147  -0.188  10.888
   18   1HD2  LEU  15          2HD2      LEU  15 -16.012  -0.297   8.738
   19   2HD2  LEU  15          1HD2      LEU  15 -15.038   0.397  10.034
   20   3HD2  LEU  15          3HD2      LEU  15 -15.771  -1.195  10.236
   21    HA   PRO  16           HA       PRO  16 -14.317   5.803   9.090
   22   1HB   PRO  16          2HB       PRO  16 -12.251   5.970  10.897
   23   2HB   PRO  16          1HB       PRO  16 -13.768   6.873  11.057
   24   1HG   PRO  16          2HG       PRO  16 -12.844   4.475  12.571
   25   2HG   PRO  16          1HG       PRO  16 -13.968   5.751  13.067
   26   1HD   PRO  16          2HD       PRO  16 -14.691   3.162  12.184
   27   2HD   PRO  16          1HD       PRO  16 -15.787   4.550  12.356
   28    H    ARG  17           H        ARG  17 -13.207   4.949   7.364
   29    HA   ARG  17           HA       ARG  17 -10.722   3.515   7.742
   30   1HB   ARG  17          2HB       ARG  17 -13.108   1.947   7.678
   31   2HB   ARG  17          1HB       ARG  17 -12.249   1.678   6.161
   32   1HG   ARG  17          2HG       ARG  17 -10.756   1.640   8.775
   33   2HG   ARG  17          1HG       ARG  17 -11.626   0.207   8.226
   34   1HD   ARG  17          2HD       ARG  17  -9.333   1.631   6.871
   35   2HD   ARG  17          1HD       ARG  17  -9.430  -0.060   7.364
   36    HE   ARG  17           HE       ARG  17 -10.663   1.113   4.949
   37   1HH1  ARG  17          1HH2      ARG  17  -9.081  -1.552   5.996
   38   2HH1  ARG  17          2HH2      ARG  17 -10.203  -2.724   5.391
   39   1HH2  ARG  17          1HH1      ARG  17 -12.655  -0.388   4.648
   40   2HH2  ARG  17          2HH1      ARG  17 -12.226  -2.066   4.629
   41    H    GLY  18           H        GLY  18 -11.468   5.852   6.336
   42   1HA   GLY  18          2HA       GLY  18 -10.711   5.025   3.588
   43   2HA   GLY  18          1HA       GLY  18 -12.149   6.030   3.773
   44    H    SER  19           H        SER  19  -9.807   6.688   6.145
   45    HA   SER  19           HA       SER  19  -8.967   9.107   4.626
   46   1HB   SER  19          2HB       SER  19  -9.984   9.991   6.506
   47   2HB   SER  19          1HB       SER  19  -9.583   8.595   7.503
   48    HG   SER  19           HG       SER  19  -8.307  10.382   8.066
   49    H    ILE  20           H        ILE  20  -7.852   6.357   6.498
   50    HA   ILE  20           HA       ILE  20  -5.112   7.182   6.767
   51    HB   ILE  20           HB       ILE  20  -5.940   4.301   6.466
   52   1HG1  ILE  20          2HG1      ILE  20  -7.683   5.109   7.874
   53   2HG1  ILE  20          1HG1      ILE  20  -6.471   4.463   8.981
   54   1HG2  ILE  20          2HG2      ILE  20  -3.543   5.296   6.959
   55   2HG2  ILE  20          1HG2      ILE  20  -4.174   5.459   8.598
   56   3HG2  ILE  20          3HG2      ILE  20  -4.106   3.871   7.832
   57   1HD1  ILE  20          3HD1      ILE  20  -5.513   6.872   9.005
   58   2HD1  ILE  20          2HD1      ILE  20  -7.072   7.343   8.327
   59   3HD1  ILE  20          1HD1      ILE  20  -6.997   6.566   9.909
   60    H    ASP  21           H        ASP  21  -6.933   5.646   4.198
   61    HA   ASP  21           HA       ASP  21  -4.461   5.225   2.625
   62   1HB   ASP  21          2HB       ASP  21  -7.347   4.432   2.191
   63   2HB   ASP  21          1HB       ASP  21  -6.101   4.202   0.964
   64    H    LYS  22           H        LYS  22  -6.077   7.865   3.272
   65    HA   LYS  22           HA       LYS  22  -6.383   8.778   0.449
   66   1HB   LYS  22          2HB       LYS  22  -7.890   9.250   2.825
   67   2HB   LYS  22          1HB       LYS  22  -7.170  10.784   2.334
   68   1HG   LYS  22          2HG       LYS  22  -7.978  10.065  -0.066
   69   2HG   LYS  22          1HG       LYS  22  -9.086   9.027   0.832
   70   1HD   LYS  22          2HD       LYS  22 -10.405  10.893   0.830
   71   2HD   LYS  22          1HD       LYS  22  -9.395  11.349   2.203
   72   1HE   LYS  22          2HE       LYS  22  -9.490  13.203   0.612
   73   2HE   LYS  22          1HE       LYS  22  -7.858  12.534   0.642
   74   1HZ   LYS  22          1HZ       LYS  22  -9.591  11.252  -1.257
   75   2HZ   LYS  22          3HZ       LYS  22  -9.360  12.901  -1.577
   76   3HZ   LYS  22          2HZ       LYS  22  -8.020  11.864  -1.462
   77    H    TYR  23           H        TYR  23  -4.047   8.678   2.763
   78    HA   TYR  23           HA       TYR  23  -2.708  11.059   1.605
   79   1HB   TYR  23          2HB       TYR  23  -3.199  10.563   4.545
   80   2HB   TYR  23          1HB       TYR  23  -1.884  11.595   3.982
   81    HD1  TYR  23           HD2      TYR  23  -2.719  13.250   1.956
   82    HD2  TYR  23           HD1      TYR  23  -5.151  11.677   5.129
   83    HE1  TYR  23           HE2      TYR  23  -4.316  15.124   1.662
   84    HE2  TYR  23           HE1      TYR  23  -6.747  13.552   4.835
   85    HH   TYR  23           HH       TYR  23  -6.529  16.017   3.877
   86    H    VAL  24           H        VAL  24  -2.057   8.565   0.810
   87    HA   VAL  24           HA       VAL  24   0.582   8.151   2.117
   88    HB   VAL  24           HB       VAL  24  -1.491   6.004   1.594
   89   1HG1  VAL  24          1HG1      VAL  24   1.429   5.715   2.366
   90   2HG1  VAL  24          3HG1      VAL  24   0.257   4.400   2.278
   91   3HG1  VAL  24          2HG1      VAL  24   0.729   5.260   0.813
   92   1HG2  VAL  24          3HG2      VAL  24  -0.074   7.071   4.047
   93   2HG2  VAL  24          2HG2      VAL  24  -1.810   7.012   3.740
   94   3HG2  VAL  24          1HG2      VAL  24  -0.916   5.522   4.042
   95    H    LYS  25           H        LYS  25   2.115   8.177   0.548
   96    HA   LYS  25           HA       LYS  25   1.269   7.512  -2.240
   97   1HB   LYS  25          2HB       LYS  25   2.281   9.826  -1.608
   98   2HB   LYS  25          1HB       LYS  25   3.812   8.956  -1.513
   99   1HG   LYS  25          2HG       LYS  25   3.997   8.904  -3.755
  100   2HG   LYS  25          1HG       LYS  25   2.379   8.220  -3.920
  101   1HD   LYS  25          2HD       LYS  25   1.363  10.393  -3.889
  102   2HD   LYS  25          1HD       LYS  25   2.874  11.160  -3.400
  103   1HE   LYS  25          2HE       LYS  25   3.897  10.653  -5.533
  104   2HE   LYS  25          1HE       LYS  25   2.508   9.680  -6.019
  105   1HZ   LYS  25          2HZ       LYS  25   1.913  12.400  -5.209
  106   2HZ   LYS  25          1HZ       LYS  25   2.807  12.251  -6.646
  107   3HZ   LYS  25          3HZ       LYS  25   1.298  11.491  -6.506
  108    H    GLU  26           H        GLU  26   1.566   5.209  -1.858
  109    HA   GLU  26           HA       GLU  26   4.104   4.150  -0.958
  110   1HB   GLU  26          2HB       GLU  26   1.961   2.884  -0.822
  111   2HB   GLU  26          1HB       GLU  26   1.935   2.787  -2.583
  112   1HG   GLU  26          2HG       GLU  26   4.513   1.935  -1.767
  113   2HG   GLU  26          1HG       GLU  26   3.355   1.118  -0.716
  114    H    MET  27           H        MET  27   5.954   4.185  -2.134
  115    HA   MET  27           HA       MET  27   5.734   4.413  -5.095
  116   1HB   MET  27          2HB       MET  27   7.975   5.035  -3.161
  117   2HB   MET  27          1HB       MET  27   8.189   5.049  -4.911
  118   1HG   MET  27          2HG       MET  27   7.345   7.132  -4.992
  119   2HG   MET  27          1HG       MET  27   5.827   6.535  -4.320
  120   1HE   MET  27          3HE       MET  27   8.941   8.093  -4.186
  121   2HE   MET  27          2HE       MET  27   8.310   9.488  -3.314
  122   3HE   MET  27          1HE       MET  27   9.443   8.400  -2.517
  123    HA   PRO  28           HA       PRO  28   7.078   0.237  -5.462
  124   1HB   PRO  28          2HB       PRO  28   7.895   0.364  -8.092
  125   2HB   PRO  28          1HB       PRO  28   6.200   0.242  -7.588
  126   1HG   PRO  28          2HG       PRO  28   7.701   2.630  -8.585
  127   2HG   PRO  28          1HG       PRO  28   5.979   2.241  -8.740
  128   1HD   PRO  28          2HD       PRO  28   7.042   4.069  -6.905
  129   2HD   PRO  28          1HD       PRO  28   5.445   3.301  -6.767
  130    H    ASP  29           H        ASP  29   9.075   2.942  -5.508
  131    HA   ASP  29           HA       ASP  29  11.562   1.441  -6.015
  132   1HB   ASP  29          2HB       ASP  29  12.632   3.677  -5.494
  133   2HB   ASP  29          1HB       ASP  29  11.527   3.706  -6.869
  134    H    LYS  30           H        LYS  30   9.550   1.166  -3.655
  135    HA   LYS  30           HA       LYS  30   9.773   0.489  -1.432
  136   1HB   LYS  30          2HB       LYS  30  12.530   0.447  -2.428
  137   2HB   LYS  30          1HB       LYS  30  12.430   0.825  -0.709
  138   1HG   LYS  30          2HG       LYS  30  11.088  -1.173  -0.310
  139   2HG   LYS  30          1HG       LYS  30  11.053  -1.526  -2.038
  140   1HD   LYS  30          2HD       LYS  30  13.749  -1.274  -1.574
  141   2HD   LYS  30          1HD       LYS  30  13.190  -2.006  -0.069
  142   1HE   LYS  30          2HE       LYS  30  12.534  -3.954  -1.099
  143   2HE   LYS  30          1HE       LYS  30  12.112  -3.140  -2.605
  144   1HZ   LYS  30          2HZ       LYS  30  14.619  -2.743  -2.797
  145   2HZ   LYS  30          1HZ       LYS  30  14.770  -3.976  -1.638
  146   3HZ   LYS  30          3HZ       LYS  30  14.029  -4.302  -3.128
  147    H    THR  31           H        THR  31   8.875   2.981  -1.887
  148    HA   THR  31           HA       THR  31  10.137   4.512   0.317
  149    HB   THR  31           HB       THR  31   9.195   5.956  -2.123
  150    HG1  THR  31           HG1      THR  31  11.894   5.354  -1.833
  151   1HG2  THR  31          2HG2      THR  31  10.809   6.501   0.307
  152   2HG2  THR  31          1HG2      THR  31  11.314   7.314  -1.174
  153   3HG2  THR  31          3HG2      THR  31   9.681   7.549  -0.552
  154    H    PHE  32           H        PHE  32   8.594   6.564   0.678
  155    HA   PHE  32           HA       PHE  32   5.756   5.985   0.205
  156   1HB   PHE  32          2HB       PHE  32   7.102   5.331   2.745
  157   2HB   PHE  32          1HB       PHE  32   5.672   6.346   2.934
  158    HD1  PHE  32           HD1      PHE  32   6.935   3.096   1.711
  159    HD2  PHE  32           HD2      PHE  32   3.458   5.528   2.376
  160    HE1  PHE  32           HE1      PHE  32   5.482   1.119   1.353
  161    HE2  PHE  32           HE2      PHE  32   2.007   3.549   2.018
  162    HZ   PHE  32           HZ       PHE  32   3.019   1.345   1.507
  163    H    GLU  33           H        GLU  33   4.535   7.895   0.389
  164    HA   GLU  33           HA       GLU  33   5.982  10.276   1.465
  165   1HB   GLU  33          2HB       GLU  33   5.735   9.882  -1.195
  166   2HB   GLU  33          1HB       GLU  33   4.201  10.693  -0.877
  167   1HG   GLU  33          2HG       GLU  33   5.237  12.678  -0.669
  168   2HG   GLU  33          1HG       GLU  33   6.325  12.023   0.556
  169    H    CYS  34           H        CYS  34   4.719  10.425   3.325
  170    HA   CYS  34           HA       CYS  34   1.916  10.045   3.507
  171   1HB   CYS  34          2HB       CYS  34   3.544  10.335   5.427
  172   2HB   CYS  34          1HB       CYS  34   3.544  12.063   5.081
  173    H    LEU  35           H        LEU  35   0.504  11.079   2.146
  174    HA   LEU  35           HA       LEU  35   1.089  13.752   1.113
  175   1HB   LEU  35          2HB       LEU  35  -1.518  12.252   0.834
  176   2HB   LEU  35          1HB       LEU  35  -0.851  13.478  -0.241
  177    HG   LEU  35           HG       LEU  35   0.778  11.021   0.244
  178   1HD1  LEU  35          2HD1      LEU  35  -1.933  10.956  -0.740
  179   2HD1  LEU  35          1HD1      LEU  35  -0.820  10.527  -2.040
  180   3HD1  LEU  35          3HD1      LEU  35  -0.804   9.618  -0.528
  181   1HD2  LEU  35          1HD2      LEU  35   0.201  12.777  -2.165
  182   2HD2  LEU  35          3HD2      LEU  35   1.635  12.862  -1.142
  183   3HD2  LEU  35          2HD2      LEU  35   1.347  11.436  -2.140
  184    H    PHE  36           H        PHE  36   0.277  13.064   4.106
  185    HA   PHE  36           HA       PHE  36  -2.184  14.460   4.572
  186   1HB   PHE  36          2HB       PHE  36  -1.075  12.974   6.245
  187   2HB   PHE  36          1HB       PHE  36   0.195  14.183   6.437
  188    HD1  PHE  36           HD2      PHE  36  -0.436  16.515   7.221
  189    HD2  PHE  36           HD1      PHE  36  -3.155  13.193   7.372
  190    HE1  PHE  36           HE2      PHE  36  -1.845  17.743   8.851
  191    HE2  PHE  36           HE1      PHE  36  -4.565  14.421   9.002
  192    HZ   PHE  36           HZ       PHE  36  -3.909  16.696   9.741
  193    HA   PRO  37           HA       PRO  37  -0.798  18.577   3.839
  194   1HB   PRO  37          2HB       PRO  37  -2.861  19.881   5.119
  195   2HB   PRO  37          1HB       PRO  37  -3.000  19.157   3.507
  196   1HG   PRO  37          2HG       PRO  37  -4.045  18.148   6.119
  197   2HG   PRO  37          1HG       PRO  37  -4.681  17.899   4.484
  198   1HD   PRO  37          2HD       PRO  37  -3.197  16.016   5.942
  199   2HD   PRO  37          1HD       PRO  37  -3.454  15.976   4.186
  200    H    GLY  38           H        GLY  38   0.867  19.470   4.943
  201   1HA   GLY  38          2HA       GLY  38   1.668  20.825   6.812
  202   2HA   GLY  38          1HA       GLY  38   0.556  19.949   7.869
  203    H    CYS  39           H        CYS  39   1.362  17.412   6.359
  204    HA   CYS  39           HA       CYS  39   3.514  16.664   8.182
  205   1HB   CYS  39          2HB       CYS  39   1.615  15.158   7.434
  206   2HB   CYS  39          1HB       CYS  39   2.409  15.069   5.862
  207    H    THR  40           H        THR  40   5.522  15.592   7.321
  208    HA   THR  40           HA       THR  40   6.364  16.238   4.599
  209    HB   THR  40           HB       THR  40   8.144  17.432   6.677
  210    HG1  THR  40           HG1      THR  40   6.052  18.959   5.602
  211   1HG2  THR  40          1HG2      THR  40   8.420  17.249   4.065
  212   2HG2  THR  40          3HG2      THR  40   7.349  18.650   4.055
  213   3HG2  THR  40          2HG2      THR  40   8.896  18.729   4.898
  214    H    LYS  41           H        LYS  41   6.109  13.833   6.185
  215    HA   LYS  41           HA       LYS  41   8.991  13.070   6.439
  216   1HB   LYS  41          2HB       LYS  41   7.711  13.012   8.583
  217   2HB   LYS  41          1HB       LYS  41   6.623  11.826   7.862
  218   1HG   LYS  41          2HG       LYS  41   8.096  10.147   8.185
  219   2HG   LYS  41          1HG       LYS  41   9.419  11.088   7.496
  220   1HD   LYS  41          2HD       LYS  41  10.141  10.862   9.696
  221   2HD   LYS  41          1HD       LYS  41   9.277  12.397   9.783
  222   1HE   LYS  41          2HE       LYS  41   7.937   9.747  10.353
  223   2HE   LYS  41          1HE       LYS  41   8.717  10.705  11.612
  224   1HZ   LYS  41          3HZ       LYS  41   7.257  12.588  10.554
  225   2HZ   LYS  41          2HZ       LYS  41   6.295  11.274  10.068
  226   3HZ   LYS  41          1HZ       LYS  41   6.614  11.533  11.716
  227    H    THR  42           H        THR  42   9.680  11.353   5.238
  228    HA   THR  42           HA       THR  42   7.608   9.845   3.690
  229    HB   THR  42           HB       THR  42   8.981   9.859   1.809
  230    HG1  THR  42           HG1      THR  42  10.936   9.242   2.227
  231   1HG2  THR  42          1HG2      THR  42   8.340  12.231   2.749
  232   2HG2  THR  42          3HG2      THR  42  10.079  12.384   2.997
  233   3HG2  THR  42          2HG2      THR  42   9.441  12.100   1.378
  234    H    PHE  43           H        PHE  43   7.874   7.568   3.601
  235    HA   PHE  43           HA       PHE  43  10.071   6.502   5.335
  236   1HB   PHE  43          2HB       PHE  43   7.488   5.017   5.075
  237   2HB   PHE  43          1HB       PHE  43   8.605   5.093   6.438
  238    HD1  PHE  43           HD1      PHE  43   6.261   7.257   4.462
  239    HD2  PHE  43           HD2      PHE  43   8.113   6.483   8.261
  240    HE1  PHE  43           HE1      PHE  43   4.886   9.041   5.494
  241    HE2  PHE  43           HE2      PHE  43   6.733   8.267   9.294
  242    HZ   PHE  43           HZ       PHE  43   5.118   9.542   7.909
  243    H    LYS  44           H        LYS  44   9.559   3.776   4.851
  244    HA   LYS  44           HA       LYS  44  10.064   3.589   1.909
  245   1HB   LYS  44          2HB       LYS  44  11.512   2.409   4.243
  246   2HB   LYS  44          1HB       LYS  44  11.411   1.459   2.761
  247   1HG   LYS  44          2HG       LYS  44  12.835   2.828   1.645
  248   2HG   LYS  44          1HG       LYS  44  12.101   4.285   2.316
  249   1HD   LYS  44          2HD       LYS  44  13.330   3.075   4.510
  250   2HD   LYS  44          1HD       LYS  44  14.482   2.851   3.193
  251   1HE   LYS  44          2HE       LYS  44  15.129   4.967   3.770
  252   2HE   LYS  44          1HE       LYS  44  13.764   5.428   2.753
  253   1HZ   LYS  44          1HZ       LYS  44  12.574   4.940   5.111
  254   2HZ   LYS  44          3HZ       LYS  44  14.060   5.580   5.619
  255   3HZ   LYS  44          2HZ       LYS  44  13.061   6.479   4.579
  256    H    ARG  45           H        ARG  45   9.869   1.072   1.308
  257    HA   ARG  45           HA       ARG  45   7.174   0.354   1.389
  258   1HB   ARG  45          2HB       ARG  45   9.088  -0.686   0.012
  259   2HB   ARG  45          1HB       ARG  45   9.365  -1.724   1.411
  260   1HG   ARG  45          2HG       ARG  45   6.956  -2.411   1.309
  261   2HG   ARG  45          1HG       ARG  45   6.798  -1.484  -0.184
  262   1HD   ARG  45          2HD       ARG  45   8.308  -2.894  -1.351
  263   2HD   ARG  45          1HD       ARG  45   8.913  -3.614   0.141
  264    HE   ARG  45           HE       ARG  45   6.053  -4.059  -0.415
  265   1HH1  ARG  45          1HH2      ARG  45   9.266  -5.099  -1.043
  266   2HH1  ARG  45          2HH2      ARG  45   8.873  -6.786  -1.012
  267   1HH2  ARG  45          1HH1      ARG  45   5.549  -6.270  -0.174
  268   2HH2  ARG  45          2HH1      ARG  45   6.769  -7.449  -0.521
  269    H    ARG  46           H        ARG  46   6.161   0.450   3.396
  270    HA   ARG  46           HA       ARG  46   6.462  -1.821   5.149
  271   1HB   ARG  46          2HB       ARG  46   8.330   0.146   5.643
  272   2HB   ARG  46          1HB       ARG  46   7.031   0.573   6.758
  273   1HG   ARG  46          2HG       ARG  46   7.113  -2.118   7.123
  274   2HG   ARG  46          1HG       ARG  46   8.807  -1.800   6.746
  275   1HD   ARG  46          2HD       ARG  46   8.610   0.134   8.461
  276   2HD   ARG  46          1HD       ARG  46   7.145  -0.686   9.001
  277    HE   ARG  46           HE       ARG  46   9.164  -2.647   8.917
  278   1HH1  ARG  46          1HH2      ARG  46   9.024   0.502  10.253
  279   2HH1  ARG  46          2HH2      ARG  46   9.650   0.032  11.797
  280   1HH2  ARG  46          1HH1      ARG  46   9.744  -3.348  11.025
  281   2HH2  ARG  46          2HH1      ARG  46  10.058  -2.149  12.235
  282    H    TYR  47           H        TYR  47   4.908  -1.675   6.986
  283    HA   TYR  47           HA       TYR  47   2.639   0.122   6.283
  284   1HB   TYR  47          2HB       TYR  47   1.848  -1.769   8.251
  285   2HB   TYR  47          1HB       TYR  47   1.366  -1.724   6.558
  286    HD1  TYR  47           HD2      TYR  47   3.144  -2.677   4.860
  287    HD2  TYR  47           HD1      TYR  47   3.019  -3.613   9.048
  288    HE1  TYR  47           HE2      TYR  47   4.447  -4.748   4.432
  289    HE2  TYR  47           HE1      TYR  47   4.319  -5.687   8.624
  290    HH   TYR  47           HH       TYR  47   6.015  -6.252   5.840
  291    H    ASN  48           H        ASN  48   4.921   1.068   7.810
  292    HA   ASN  48           HA       ASN  48   3.836   1.172  10.554
  293   1HB   ASN  48          2HB       ASN  48   6.499   1.377   9.365
  294   2HB   ASN  48          1HB       ASN  48   6.185   2.662  10.533
  295   1HD2  ASN  48          2HD2      ASN  48   5.691  -1.144  12.019
  296   2HD2  ASN  48          1HD2      ASN  48   5.030  -0.753  10.505
  297    H    ILE  49           H        ILE  49   4.569   3.210   7.787
  298    HA   ILE  49           HA       ILE  49   4.058   5.710   9.115
  299    HB   ILE  49           HB       ILE  49   4.608   6.658   7.142
  300   1HG1  ILE  49          2HG1      ILE  49   2.200   6.298   6.392
  301   2HG1  ILE  49          1HG1      ILE  49   3.391   6.414   5.099
  302   1HG2  ILE  49          1HG2      ILE  49   6.054   4.631   7.090
  303   2HG2  ILE  49          3HG2      ILE  49   4.842   3.831   6.088
  304   3HG2  ILE  49          2HG2      ILE  49   5.685   5.253   5.482
  305   1HD1  ILE  49          1HD1      ILE  49   3.152   3.682   6.016
  306   2HD1  ILE  49          3HD1      ILE  49   1.580   4.315   5.527
  307   3HD1  ILE  49          2HD1      ILE  49   2.931   4.336   4.393
  308    H    ARG  50           H        ARG  50   1.997   3.273   7.675
  309    HA   ARG  50           HA       ARG  50  -0.401   4.777   7.421
  310   1HB   ARG  50          2HB       ARG  50  -1.568   2.656   7.564
  311   2HB   ARG  50          1HB       ARG  50  -0.068   2.385   6.676
  312   1HG   ARG  50          2HG       ARG  50   1.002   1.669   8.838
  313   2HG   ARG  50          1HG       ARG  50  -0.588   1.771   9.597
  314   1HD   ARG  50          2HD       ARG  50  -1.133   0.275   7.359
  315   2HD   ARG  50          1HD       ARG  50   0.491  -0.273   7.773
  316    HE   ARG  50           HE       ARG  50  -0.964  -0.269  10.178
  317   1HH1  ARG  50          1HH2      ARG  50  -0.702  -1.908   7.168
  318   2HH1  ARG  50          2HH2      ARG  50  -1.617  -3.286   7.682
  319   1HH2  ARG  50          1HH1      ARG  50  -2.319  -1.981  10.817
  320   2HH2  ARG  50          2HH1      ARG  50  -2.532  -3.327   9.748
  321    H    SER  51           H        SER  51   0.966   3.030  10.209
  322    HA   SER  51           HA       SER  51  -1.145   3.738  12.036
  323   1HB   SER  51          2HB       SER  51   0.682   1.931  12.313
  324   2HB   SER  51          1HB       SER  51   1.735   3.250  12.816
  325    HG   SER  51           HG       SER  51   0.771   3.209  14.674
  326    H    HIS  52           H        HIS  52   1.693   5.341  10.824
  327    HA   HIS  52           HA       HIS  52   1.905   7.383  12.838
  328   1HB   HIS  52          2HB       HIS  52   3.816   7.364  11.570
  329   2HB   HIS  52          1HB       HIS  52   2.971   6.852  10.119
  330    HD1  HIS  52           HD1      HIS  52   4.463   9.772  11.721
  331    HD2  HIS  52           HD2      HIS  52   1.589   9.111   8.773
  332    HE1  HIS  52           HE1      HIS  52   4.242  11.945  10.438
  333    H    ILE  53           H        ILE  53  -0.072   6.980   9.958
  334    HA   ILE  53           HA       ILE  53  -1.082   9.688   9.876
  335    HB   ILE  53           HB       ILE  53  -2.781   7.418   8.930
  336   1HG1  ILE  53          2HG1      ILE  53  -0.039   8.126   7.854
  337   2HG1  ILE  53          1HG1      ILE  53  -0.665   6.530   8.266
  338   1HG2  ILE  53          3HG2      ILE  53  -2.674  10.182   8.587
  339   2HG2  ILE  53          2HG2      ILE  53  -2.015   9.544   7.081
  340   3HG2  ILE  53          1HG2      ILE  53  -3.622   9.054   7.619
  341   1HD1  ILE  53          1HD1      ILE  53  -2.468   7.069   6.431
  342   2HD1  ILE  53          3HD1      ILE  53  -1.269   8.233   5.868
  343   3HD1  ILE  53          2HD1      ILE  53  -0.866   6.518   5.942
  344    H    GLN  54           H        GLN  54  -1.615   7.049  11.965
  345    HA   GLN  54           HA       GLN  54  -4.336   7.686  12.736
  346   1HB   GLN  54          2HB       GLN  54  -2.350   5.726  13.447
  347   2HB   GLN  54          1HB       GLN  54  -2.973   6.475  14.918
  348   1HG   GLN  54          2HG       GLN  54  -4.594   4.864  14.639
  349   2HG   GLN  54          1HG       GLN  54  -5.302   6.130  13.636
  350   1HE2  GLN  54          2HE2      GLN  54  -4.814   4.371  10.600
  351   2HE2  GLN  54          1HE2      GLN  54  -5.295   5.828  11.324
  352    H    THR  55           H        THR  55  -1.164   8.269  14.266
  353    HA   THR  55           HA       THR  55  -2.131   9.984  16.330
  354    HB   THR  55           HB       THR  55   0.542   9.825  14.910
  355    HG1  THR  55           HG1      THR  55   0.082   8.121  16.277
  356   1HG2  THR  55          1HG2      THR  55  -0.517  11.919  16.641
  357   2HG2  THR  55          3HG2      THR  55   0.923  11.163  17.323
  358   3HG2  THR  55          2HG2      THR  55   0.983  11.884  15.715
  359    H    HIS  56           H        HIS  56  -1.615  10.409  12.929
  360    HA   HIS  56           HA       HIS  56  -1.396  13.204  12.671
  361   1HB   HIS  56          2HB       HIS  56  -1.984  10.898  11.087
  362   2HB   HIS  56          1HB       HIS  56  -3.119  12.159  10.682
  363    HD1  HIS  56           HD1      HIS  56  -1.615  14.669  10.468
  364    HD2  HIS  56           HD2      HIS  56   0.159  11.027   9.527
  365    HE1  HIS  56           HE1      HIS  56   0.370  15.198   8.964
  366    H    LEU  57           H        LEU  57  -4.341  11.215  12.405
  367    HA   LEU  57           HA       LEU  57  -5.939  13.606  13.175
  368   1HB   LEU  57          2HB       LEU  57  -7.193  11.115  12.091
  369   2HB   LEU  57          1HB       LEU  57  -7.672  12.797  11.863
  370    HG   LEU  57           HG       LEU  57  -5.302  12.925  10.644
  371   1HD1  LEU  57          1HD1      LEU  57  -5.424  10.218  11.245
  372   2HD1  LEU  57          3HD1      LEU  57  -5.946  10.280   9.562
  373   3HD1  LEU  57          2HD1      LEU  57  -4.383  10.951  10.026
  374   1HD2  LEU  57          3HD2      LEU  57  -8.001  12.722   9.853
  375   2HD2  LEU  57          2HD2      LEU  57  -6.654  13.317   8.882
  376   3HD2  LEU  57          1HD2      LEU  57  -7.116  11.617   8.801
  377    H    GLU  58           H        GLU  58  -4.516  11.769  15.061
  378    HA   GLU  58           HA       GLU  58  -6.739  10.337  16.370
  379   1HB   GLU  58          2HB       GLU  58  -4.650   9.145  16.338
  380   2HB   GLU  58          1HB       GLU  58  -3.781  10.544  16.969
  381   1HG   GLU  58          2HG       GLU  58  -4.562  10.238  19.120
  382   2HG   GLU  58          1HG       GLU  58  -6.061   9.479  18.581
  383    H    ASP  59           H        ASP  59  -4.401  12.922  17.166
  384    HA   ASP  59           HA       ASP  59  -6.458  14.134  18.921
  385   1HB   ASP  59          2HB       ASP  59  -4.360  12.575  19.965
  386   2HB   ASP  59          1HB       ASP  59  -3.870  14.250  20.223
  387    H    ARG  60           H        ARG  60  -3.093  14.415  17.731
  388    HA   ARG  60           HA       ARG  60  -2.727  17.168  18.057
  389   1HB   ARG  60          2HB       ARG  60  -1.104  15.411  17.080
  390   2HB   ARG  60          1HB       ARG  60  -1.875  15.751  15.530
  391   1HG   ARG  60          2HG       ARG  60  -0.205  17.337  15.446
  392   2HG   ARG  60          1HG       ARG  60  -1.427  18.275  16.304
  393   1HD   ARG  60          2HD       ARG  60  -0.245  18.265  18.245
  394   2HD   ARG  60          1HD       ARG  60   0.236  16.580  18.050
  395    HE   ARG  60           HE       ARG  60   1.867  17.618  16.254
  396   1HH1  ARG  60          1HH1      ARG  60   1.608  20.414  16.706
  397   2HH1  ARG  60          2HH1      ARG  60   2.681  20.758  18.021
  398   1HH2  ARG  60          1HH2      ARG  60   2.918  17.453  19.042
  399   2HH2  ARG  60          2HH2      ARG  60   3.423  19.082  19.344
   
  No H/Q in entry =         399
  Start of MODEL    2
    1   1H    THR  14          3H        THR  14 -12.664   6.781  13.857
    2   2H    THR  14          2H        THR  14 -13.933   7.603  14.632
    3   3H    THR  14          1H        THR  14 -13.036   6.429  15.474
    4    HA   THR  14           HA       THR  14 -14.256   4.754  14.700
    5    HB   THR  14           HB       THR  14 -15.993   6.437  15.288
    6    HG1  THR  14           HG1      THR  14 -16.947   5.239  12.963
    7   1HG2  THR  14          1HG2      THR  14 -15.135   7.565  12.795
    8   2HG2  THR  14          3HG2      THR  14 -16.853   7.184  12.684
    9   3HG2  THR  14          2HG2      THR  14 -16.265   8.235  13.972
   10    H    LEU  15           H        LEU  15 -15.387   3.775  12.676
   11    HA   LEU  15           HA       LEU  15 -15.099   3.009  10.476
   12   1HB   LEU  15          2HB       LEU  15 -15.690   5.709  10.362
   13   2HB   LEU  15          1HB       LEU  15 -14.219   5.592   9.395
   14    HG   LEU  15           HG       LEU  15 -16.220   3.465   8.911
   15   1HD1  LEU  15           HD1      LEU  15 -17.372   5.858   9.222
   16   2HD1  LEU  15           HD1      LEU  15 -16.773   6.082   7.579
   17   3HD1  LEU  15           HD1      LEU  15 -17.874   4.754   7.943
   18   1HD2  LEU  15           HD2      LEU  15 -14.058   3.825   7.654
   19   2HD2  LEU  15           HD2      LEU  15 -15.490   3.784   6.625
   20   3HD2  LEU  15           HD2      LEU  15 -14.739   5.327   7.030
   21    HA   PRO  16           HA       PRO  16 -10.572   2.765  10.857
   22   1HB   PRO  16          2HB       PRO  16 -10.506   0.041  10.484
   23   2HB   PRO  16          1HB       PRO  16 -10.757   0.808  12.062
   24   1HG   PRO  16          2HG       PRO  16 -12.741  -0.561  10.305
   25   2HG   PRO  16          1HG       PRO  16 -12.756  -0.350  12.064
   26   1HD   PRO  16          2HD       PRO  16 -14.266   1.154  10.201
   27   2HD   PRO  16          1HD       PRO  16 -14.015   1.560  11.913
   28    H    ARG  17           H        ARG  17  -9.080   2.623   9.133
   29    HA   ARG  17           HA       ARG  17  -8.345   2.476   6.909
   30   1HB   ARG  17          2HB       ARG  17 -10.205   0.248   7.268
   31   2HB   ARG  17          1HB       ARG  17 -10.162   0.826   5.602
   32   1HG   ARG  17          2HG       ARG  17  -8.425  -0.781   5.706
   33   2HG   ARG  17          1HG       ARG  17  -7.595   0.769   5.841
   34   1HD   ARG  17          2HD       ARG  17  -8.500  -0.372   8.411
   35   2HD   ARG  17          1HD       ARG  17  -7.247  -1.302   7.588
   36    HE   ARG  17           HE       ARG  17  -6.917   1.351   8.775
   37   1HH1  ARG  17           HH1      ARG  17  -5.835   2.014   6.227
   38   2HH1  ARG  17           HH1      ARG  17  -4.233   1.355   6.233
   39   1HH2  ARG  17           HH2      ARG  17  -4.838  -0.784   8.895
   40   2HH2  ARG  17           HH2      ARG  17  -3.668  -0.229   7.744
   41    H    GLY  18           H        GLY  18  -9.912   4.666   7.531
   42   1HA   GLY  18          2HA       GLY  18 -11.290   5.113   4.937
   43   2HA   GLY  18          1HA       GLY  18 -12.187   5.450   6.419
   44    H    SER  19           H        SER  19  -8.795   6.071   5.459
   45    HA   SER  19           HA       SER  19  -8.963   8.833   5.034
   46   1HB   SER  19          2HB       SER  19  -9.825   9.274   7.188
   47   2HB   SER  19          1HB       SER  19  -8.786   8.073   7.947
   48    HG   SER  19           HG       SER  19  -8.259  10.499   7.987
   49    H    ILE  20           H        ILE  20  -7.164   6.145   6.381
   50    HA   ILE  20           HA       ILE  20  -4.564   7.381   6.272
   51    HB   ILE  20           HB       ILE  20  -4.938   4.431   5.857
   52   1HG1  ILE  20          2HG1      ILE  20  -6.601   4.798   7.526
   53   2HG1  ILE  20          1HG1      ILE  20  -5.158   4.315   8.416
   54   1HG2  ILE  20          1HG2      ILE  20  -2.691   5.633   6.064
   55   2HG2  ILE  20          3HG2      ILE  20  -3.124   5.947   7.745
   56   3HG2  ILE  20          2HG2      ILE  20  -2.950   4.287   7.174
   57   1HD1  ILE  20           HD1      ILE  20  -4.717   6.948   8.400
   58   2HD1  ILE  20           HD1      ILE  20  -6.474   6.991   8.250
   59   3HD1  ILE  20           HD1      ILE  20  -5.726   6.191   9.633
   60    H    ASP  21           H        ASP  21  -6.423   5.409   3.984
   61    HA   ASP  21           HA       ASP  21  -4.330   5.396   1.973
   62   1HB   ASP  21          2HB       ASP  21  -7.311   4.886   1.714
   63   2HB   ASP  21          1HB       ASP  21  -6.106   4.530   0.477
   64    H    LYS  22           H        LYS  22  -6.580   7.727   3.037
   65    HA   LYS  22           HA       LYS  22  -6.794   9.119   0.461
   66   1HB   LYS  22          2HB       LYS  22  -8.609   9.160   2.206
   67   2HB   LYS  22          1HB       LYS  22  -7.534  10.121   3.224
   68   1HG   LYS  22          2HG       LYS  22  -7.399  11.844   1.463
   69   2HG   LYS  22          1HG       LYS  22  -8.473  10.886   0.443
   70   1HD   LYS  22          2HD       LYS  22 -10.120  12.126   1.410
   71   2HD   LYS  22          1HD       LYS  22  -9.920  11.007   2.759
   72   1HE   LYS  22          2HE       LYS  22  -8.093  13.368   2.624
   73   2HE   LYS  22          1HE       LYS  22  -9.763  13.645   3.117
   74   1HZ   LYS  22          1HZ       LYS  22  -9.012  11.417   4.499
   75   2HZ   LYS  22          3HZ       LYS  22  -7.631  12.400   4.554
   76   3HZ   LYS  22          2HZ       LYS  22  -9.117  12.993   5.125
   77    H    TYR  23           H        TYR  23  -4.356   8.803   2.698
   78    HA   TYR  23           HA       TYR  23  -3.023  11.219   1.665
   79   1HB   TYR  23          2HB       TYR  23  -3.868  10.857   4.517
   80   2HB   TYR  23          1HB       TYR  23  -2.338  11.668   4.182
   81    HD1  TYR  23           HD2      TYR  23  -2.877  13.090   1.681
   82    HD2  TYR  23           HD1      TYR  23  -5.389  12.545   5.123
   83    HE1  TYR  23           HE2      TYR  23  -4.101  15.171   1.117
   84    HE2  TYR  23           HE1      TYR  23  -6.613  14.627   4.559
   85    HH   TYR  23           HH       TYR  23  -5.846  16.468   1.609
   86    H    VAL  24           H        VAL  24  -2.394   8.599   1.079
   87    HA   VAL  24           HA       VAL  24   0.211   8.307   2.494
   88    HB   VAL  24           HB       VAL  24  -1.826   6.126   1.978
   89   1HG1  VAL  24          2HG1      VAL  24   1.104   5.908   2.733
   90   2HG1  VAL  24          1HG1      VAL  24  -0.050   4.575   2.812
   91   3HG1  VAL  24          3HG1      VAL  24   0.352   5.302   1.256
   92   1HG2  VAL  24          3HG2      VAL  24  -1.787   7.600   4.119
   93   2HG2  VAL  24          2HG2      VAL  24  -1.833   5.849   4.323
   94   3HG2  VAL  24          1HG2      VAL  24  -0.312   6.719   4.520
   95    H    LYS  25           H        LYS  25   1.683   8.621   0.892
   96    HA   LYS  25           HA       LYS  25   1.007   7.814  -1.875
   97   1HB   LYS  25          2HB       LYS  25   2.368   9.980  -0.872
   98   2HB   LYS  25          1HB       LYS  25   3.690   8.917  -1.354
   99   1HG   LYS  25          2HG       LYS  25   2.409   8.625  -3.573
  100   2HG   LYS  25          1HG       LYS  25   1.468  10.029  -3.069
  101   1HD   LYS  25          2HD       LYS  25   4.261  10.574  -2.652
  102   2HD   LYS  25          1HD       LYS  25   4.022  10.015  -4.309
  103   1HE   LYS  25          2HE       LYS  25   1.954  11.678  -4.213
  104   2HE   LYS  25          1HE       LYS  25   2.916  12.442  -2.948
  105   1HZ   LYS  25          2HZ       LYS  25   4.602  11.815  -5.094
  106   2HZ   LYS  25          1HZ       LYS  25   3.247  12.626  -5.717
  107   3HZ   LYS  25          3HZ       LYS  25   4.181  13.350  -4.500
  108    H    GLU  26           H        GLU  26   1.090   5.480  -1.246
  109    HA   GLU  26           HA       GLU  26   3.566   4.283  -0.375
  110   1HB   GLU  26          2HB       GLU  26   2.470   2.155  -1.289
  111   2HB   GLU  26          1HB       GLU  26   1.577   3.006  -0.029
  112   1HG   GLU  26          2HG       GLU  26  -0.143   3.459  -1.419
  113   2HG   GLU  26          1HG       GLU  26   0.941   4.005  -2.699
  114    H    MET  27           H        MET  27   5.274   3.507  -1.597
  115    HA   MET  27           HA       MET  27   5.040   3.852  -4.555
  116   1HB   MET  27          2HB       MET  27   6.763   5.203  -2.768
  117   2HB   MET  27          1HB       MET  27   7.768   4.048  -3.644
  118   1HG   MET  27          2HG       MET  27   7.730   6.051  -4.964
  119   2HG   MET  27          1HG       MET  27   6.680   4.894  -5.780
  120   1HE   MET  27          1HE       MET  27   6.948   7.978  -6.049
  121   2HE   MET  27          3HE       MET  27   5.648   8.965  -5.368
  122   3HE   MET  27          2HE       MET  27   6.981   8.432  -4.347
  123    HA   PRO  28           HA       PRO  28   6.134  -0.467  -4.357
  124   1HB   PRO  28          2HB       PRO  28   6.118  -0.851  -7.088
  125   2HB   PRO  28          1HB       PRO  28   4.657  -0.843  -6.085
  126   1HG   PRO  28          2HG       PRO  28   5.696   1.284  -7.912
  127   2HG   PRO  28          1HG       PRO  28   4.023   0.908  -7.463
  128   1HD   PRO  28          2HD       PRO  28   5.527   3.025  -6.407
  129   2HD   PRO  28          1HD       PRO  28   4.070   2.336  -5.658
  130    H    ASP  29           H        ASP  29   7.887   2.164  -5.510
  131    HA   ASP  29           HA       ASP  29  10.195   0.561  -6.414
  132   1HB   ASP  29          2HB       ASP  29  11.217   2.933  -6.638
  133   2HB   ASP  29          1HB       ASP  29   9.919   2.499  -7.751
  134    H    LYS  30           H        LYS  30   9.016   0.778  -3.584
  135    HA   LYS  30           HA       LYS  30   9.945   0.572  -1.452
  136   1HB   LYS  30          2HB       LYS  30  12.306   0.526  -3.178
  137   2HB   LYS  30          1HB       LYS  30  12.629   1.268  -1.612
  138   1HG   LYS  30          2HG       LYS  30  11.696  -0.688  -0.471
  139   2HG   LYS  30          1HG       LYS  30  11.295  -1.424  -2.024
  140   1HD   LYS  30          2HD       LYS  30  14.118  -0.612  -1.306
  141   2HD   LYS  30          1HD       LYS  30  13.474  -2.211  -0.931
  142   1HE   LYS  30          2HE       LYS  30  12.763  -1.768  -3.605
  143   2HE   LYS  30          1HE       LYS  30  14.415  -1.166  -3.474
  144   1HZ   LYS  30          1HZ       LYS  30  13.529  -3.820  -2.483
  145   2HZ   LYS  30          3HZ       LYS  30  14.254  -3.567  -3.994
  146   3HZ   LYS  30          2HZ       LYS  30  15.124  -3.240  -2.572
  147    H    THR  31           H        THR  31   8.573   2.703  -1.630
  148    HA   THR  31           HA       THR  31  10.120   4.753  -0.228
  149    HB   THR  31           HB       THR  31   8.628   5.725  -2.622
  150    HG1  THR  31           HG1      THR  31  10.875   5.670  -3.567
  151   1HG2  THR  31          2HG2      THR  31  10.337   6.792  -0.564
  152   2HG2  THR  31          1HG2      THR  31  11.044   7.104  -2.150
  153   3HG2  THR  31          3HG2      THR  31   9.409   7.659  -1.788
  154    H    PHE  32           H        PHE  32   8.509   6.721   0.153
  155    HA   PHE  32           HA       PHE  32   5.677   6.097   0.175
  156   1HB   PHE  32          2HB       PHE  32   7.359   5.357   2.479
  157   2HB   PHE  32          1HB       PHE  32   5.963   6.349   2.900
  158    HD1  PHE  32           HD2      PHE  32   3.662   5.632   1.987
  159    HD2  PHE  32           HD1      PHE  32   7.100   3.057   2.026
  160    HE1  PHE  32           HE2      PHE  32   2.183   3.655   1.755
  161    HE2  PHE  32           HE1      PHE  32   5.621   1.080   1.796
  162    HZ   PHE  32           HZ       PHE  32   3.163   1.379   1.660
  163    H    GLU  33           H        GLU  33   4.463   7.975   0.796
  164    HA   GLU  33           HA       GLU  33   5.966  10.279   1.873
  165   1HB   GLU  33          2HB       GLU  33   5.897  10.045  -0.823
  166   2HB   GLU  33          1HB       GLU  33   4.385  10.914  -0.555
  167   1HG   GLU  33          2HG       GLU  33   5.601  12.614   0.767
  168   2HG   GLU  33          1HG       GLU  33   7.113  11.754   0.472
  169    H    CYS  34           H        CYS  34   4.517  10.193   3.656
  170    HA   CYS  34           HA       CYS  34   1.745   9.937   3.675
  171   1HB   CYS  34          2HB       CYS  34   3.293  10.327   5.664
  172   2HB   CYS  34          1HB       CYS  34   3.236  12.042   5.270
  173    H    LEU  35           H        LEU  35   0.380  10.921   2.243
  174    HA   LEU  35           HA       LEU  35   1.016  13.489   1.040
  175   1HB   LEU  35          2HB       LEU  35  -1.385  11.663   0.901
  176   2HB   LEU  35          1HB       LEU  35  -1.333  13.216   0.065
  177    HG   LEU  35           HG       LEU  35   1.119  11.788  -0.421
  178   1HD1  LEU  35           HD1      LEU  35  -0.530   9.857   0.088
  179   2HD1  LEU  35           HD1      LEU  35  -1.314  10.312  -1.425
  180   3HD1  LEU  35           HD1      LEU  35   0.370   9.784  -1.428
  181   1HD2  LEU  35           HD2      LEU  35  -0.959  13.272  -1.818
  182   2HD2  LEU  35           HD2      LEU  35   0.746  13.087  -2.231
  183   3HD2  LEU  35           HD2      LEU  35  -0.426  11.880  -2.761
  184    H    PHE  36           H        PHE  36   0.113  12.999   4.106
  185    HA   PHE  36           HA       PHE  36  -2.211  14.673   4.375
  186   1HB   PHE  36          2HB       PHE  36  -1.355  13.107   6.148
  187   2HB   PHE  36          1HB       PHE  36  -0.026  14.232   6.428
  188    HD1  PHE  36           HD2      PHE  36  -0.661  16.707   6.924
  189    HD2  PHE  36           HD1      PHE  36  -3.404  13.421   7.236
  190    HE1  PHE  36           HE2      PHE  36  -2.127  18.070   8.388
  191    HE2  PHE  36           HE1      PHE  36  -4.873  14.786   8.700
  192    HZ   PHE  36           HZ       PHE  36  -4.235  17.109   9.274
  193    HA   PRO  37           HA       PRO  37  -0.263  18.560   3.661
  194   1HB   PRO  37          2HB       PRO  37  -2.294  20.140   4.641
  195   2HB   PRO  37          1HB       PRO  37  -2.336  19.361   3.050
  196   1HG   PRO  37          2HG       PRO  37  -3.782  18.605   5.551
  197   2HG   PRO  37          1HG       PRO  37  -4.246  18.338   3.862
  198   1HD   PRO  37          2HD       PRO  37  -3.150  16.391   5.576
  199   2HD   PRO  37          1HD       PRO  37  -3.237  16.276   3.806
  200    H    GLY  38           H        GLY  38   1.375  19.226   4.953
  201   1HA   GLY  38          2HA       GLY  38   2.051  20.614   6.875
  202   2HA   GLY  38          1HA       GLY  38   0.761  19.848   7.809
  203    H    CYS  39           H        CYS  39   1.510  17.220   6.431
  204    HA   CYS  39           HA       CYS  39   3.106  16.120   8.498
  205   1HB   CYS  39          2HB       CYS  39   1.686  14.883   6.770
  206   2HB   CYS  39          1HB       CYS  39   3.039  15.082   5.657
  207    H    THR  40           H        THR  40   5.350  15.183   8.187
  208    HA   THR  40           HA       THR  40   7.059  16.511   6.205
  209    HB   THR  40           HB       THR  40   8.267  16.960   8.792
  210    HG1  THR  40           HG1      THR  40   6.653  17.749   9.841
  211   1HG2  THR  40          2HG2      THR  40   7.338  18.782   6.557
  212   2HG2  THR  40          1HG2      THR  40   8.358  19.292   7.902
  213   3HG2  THR  40          3HG2      THR  40   8.951  18.095   6.749
  214    H    LYS  41           H        LYS  41   6.355  13.747   6.917
  215    HA   LYS  41           HA       LYS  41   9.124  12.779   7.397
  216   1HB   LYS  41          2HB       LYS  41   6.770  12.326   9.138
  217   2HB   LYS  41          1HB       LYS  41   7.732  10.895   8.768
  218   1HG   LYS  41          2HG       LYS  41   9.464  11.596  10.047
  219   2HG   LYS  41          1HG       LYS  41   9.366  13.242   9.421
  220   1HD   LYS  41          2HD       LYS  41   7.614  12.032  11.581
  221   2HD   LYS  41          1HD       LYS  41   8.855  13.265  11.806
  222   1HE   LYS  41          2HE       LYS  41   7.480  14.607  10.028
  223   2HE   LYS  41          1HE       LYS  41   6.172  13.510  10.469
  224   1HZ   LYS  41          3HZ       LYS  41   7.051  14.205  12.874
  225   2HZ   LYS  41          2HZ       LYS  41   7.423  15.625  12.019
  226   3HZ   LYS  41          1HZ       LYS  41   5.826  15.047  12.056
  227    H    THR  42           H        THR  42   9.489  11.747   5.479
  228    HA   THR  42           HA       THR  42   7.302  10.092   4.313
  229    HB   THR  42           HB       THR  42   8.379  10.275   2.246
  230    HG1  THR  42           HG1      THR  42  10.484  10.265   2.053
  231   1HG2  THR  42          3HG2      THR  42   7.687  12.523   3.364
  232   2HG2  THR  42          2HG2      THR  42   9.423  12.813   3.471
  233   3HG2  THR  42          1HG2      THR  42   8.663  12.574   1.898
  234    H    PHE  43           H        PHE  43   8.038   7.917   3.415
  235    HA   PHE  43           HA       PHE  43  10.363   6.782   4.873
  236   1HB   PHE  43          2HB       PHE  43   7.838   5.182   4.897
  237   2HB   PHE  43          1HB       PHE  43   9.168   5.193   6.053
  238    HD1  PHE  43           HD1      PHE  43   6.453   7.421   4.730
  239    HD2  PHE  43           HD2      PHE  43   8.908   6.329   8.081
  240    HE1  PHE  43           HE1      PHE  43   5.187   8.994   6.168
  241    HE2  PHE  43           HE2      PHE  43   7.641   7.902   9.520
  242    HZ   PHE  43           HZ       PHE  43   5.779   9.233   8.562
  243    H    LYS  44           H        LYS  44   9.915   4.101   4.192
  244    HA   LYS  44           HA       LYS  44   9.305   3.923   1.335
  245   1HB   LYS  44          2HB       LYS  44  11.605   3.117   0.742
  246   2HB   LYS  44          1HB       LYS  44  11.559   4.823   1.186
  247   1HG   LYS  44          2HG       LYS  44  12.387   4.346   3.399
  248   2HG   LYS  44          1HG       LYS  44  12.220   2.609   3.144
  249   1HD   LYS  44          2HD       LYS  44  13.968   4.280   1.344
  250   2HD   LYS  44          1HD       LYS  44  14.580   3.646   2.871
  251   1HE   LYS  44          2HE       LYS  44  13.247   1.894   0.796
  252   2HE   LYS  44          1HE       LYS  44  14.988   2.173   0.832
  253   1HZ   LYS  44          2HZ       LYS  44  15.044   1.331   3.093
  254   2HZ   LYS  44          1HZ       LYS  44  13.367   1.060   3.058
  255   3HZ   LYS  44          3HZ       LYS  44  14.389   0.170   2.040
  256    H    ARG  45           H        ARG  45   8.613   1.866   0.901
  257    HA   ARG  45           HA       ARG  45   7.914  -0.323   1.445
  258   1HB   ARG  45          2HB       ARG  45  10.745  -0.163   1.170
  259   2HB   ARG  45          1HB       ARG  45  10.407  -1.285   2.489
  260   1HG   ARG  45          2HG       ARG  45   8.595  -1.667   0.231
  261   2HG   ARG  45          1HG       ARG  45  10.284  -1.883  -0.227
  262   1HD   ARG  45          2HD       ARG  45  10.522  -3.374   1.823
  263   2HD   ARG  45          1HD       ARG  45   8.764  -3.325   1.954
  264    HE   ARG  45           HE       ARG  45   9.348  -4.071  -0.701
  265   1HH1  ARG  45           HH2      ARG  45  11.589  -5.607   0.440
  266   2HH1  ARG  45           HH2      ARG  45  10.844  -7.097   0.912
  267   1HH2  ARG  45           HH1      ARG  45   7.620  -5.825   0.797
  268   2HH2  ARG  45           HH1      ARG  45   8.596  -7.222   1.113
  269    H    ARG  46           H        ARG  46   6.854   0.956   3.403
  270    HA   ARG  46           HA       ARG  46   7.429  -0.656   5.792
  271   1HB   ARG  46          2HB       ARG  46   7.978   2.293   5.625
  272   2HB   ARG  46          1HB       ARG  46   7.416   1.600   7.147
  273   1HG   ARG  46          2HG       ARG  46   9.385  -0.178   6.289
  274   2HG   ARG  46          1HG       ARG  46  10.042   1.410   5.891
  275   1HD   ARG  46          2HD       ARG  46   9.472   2.146   8.234
  276   2HD   ARG  46          1HD       ARG  46   9.056   0.471   8.596
  277    HE   ARG  46           HE       ARG  46  11.460  -0.080   8.002
  278   1HH1  ARG  46           HH1      ARG  46  12.750   2.162   6.965
  279   2HH1  ARG  46           HH1      ARG  46  13.322   3.066   8.327
  280   1HH2  ARG  46           HH2      ARG  46  11.223   1.492  10.593
  281   2HH2  ARG  46           HH2      ARG  46  12.460   2.686  10.380
  282    H    TYR  47           H        TYR  47   5.523  -1.093   6.807
  283    HA   TYR  47           HA       TYR  47   3.127   0.457   5.963
  284   1HB   TYR  47          2HB       TYR  47   2.378  -1.772   7.566
  285   2HB   TYR  47          1HB       TYR  47   2.129  -1.565   5.833
  286    HD1  TYR  47           HD2      TYR  47   4.228  -2.039   4.325
  287    HD2  TYR  47           HD1      TYR  47   3.727  -3.511   8.327
  288    HE1  TYR  47           HE2      TYR  47   5.886  -3.829   3.869
  289    HE2  TYR  47           HE1      TYR  47   5.384  -5.305   7.873
  290    HH   TYR  47           HH       TYR  47   6.196  -6.516   5.552
  291    H    ASN  48           H        ASN  48   5.261   0.985   8.152
  292    HA   ASN  48           HA       ASN  48   3.498   0.986  10.516
  293   1HB   ASN  48          2HB       ASN  48   6.440   1.543  10.106
  294   2HB   ASN  48          1HB       ASN  48   5.628   1.933  11.622
  295   1HD2  ASN  48           HD2      ASN  48   6.852  -1.804  11.091
  296   2HD2  ASN  48           HD2      ASN  48   7.451  -0.459  10.246
  297    H    ILE  49           H        ILE  49   4.601   3.017   8.004
  298    HA   ILE  49           HA       ILE  49   4.317   5.531   9.424
  299    HB   ILE  49           HB       ILE  49   5.153   6.475   7.548
  300   1HG1  ILE  49          2HG1      ILE  49   2.822   6.363   6.532
  301   2HG1  ILE  49          1HG1      ILE  49   4.153   6.381   5.378
  302   1HG2  ILE  49          2HG2      ILE  49   6.379   4.294   7.606
  303   2HG2  ILE  49          1HG2      ILE  49   5.235   3.671   6.417
  304   3HG2  ILE  49          3HG2      ILE  49   6.294   5.015   5.999
  305   1HD1  ILE  49           HD1      ILE  49   3.271   3.712   6.322
  306   2HD1  ILE  49           HD1      ILE  49   2.158   4.577   5.262
  307   3HD1  ILE  49           HD1      ILE  49   3.799   4.223   4.720
  308    H    ARG  50           H        ARG  50   2.177   3.327   7.784
  309    HA   ARG  50           HA       ARG  50  -0.022   5.101   7.336
  310   1HB   ARG  50          2HB       ARG  50  -0.344   2.223   8.202
  311   2HB   ARG  50          1HB       ARG  50  -1.356   3.152   7.095
  312   1HG   ARG  50          2HG       ARG  50   1.355   3.126   6.121
  313   2HG   ARG  50          1HG       ARG  50   0.824   1.473   6.429
  314   1HD   ARG  50          2HD       ARG  50  -1.246   3.091   5.144
  315   2HD   ARG  50          1HD       ARG  50   0.219   2.969   4.171
  316    HE   ARG  50           HE       ARG  50  -1.442   0.660   5.058
  317   1HH1  ARG  50           HH2      ARG  50   1.638   1.490   3.944
  318   2HH1  ARG  50           HH2      ARG  50   1.655   0.350   2.641
  319   1HH2  ARG  50           HH1      ARG  50  -1.658  -0.582   3.061
  320   2HH2  ARG  50           HH1      ARG  50  -0.211  -0.823   2.141
  321    H    SER  51           H        SER  51   1.141   3.359  10.163
  322    HA   SER  51           HA       SER  51  -1.130   4.075  11.836
  323   1HB   SER  51          2HB       SER  51   0.220   2.127  12.426
  324   2HB   SER  51          1HB       SER  51   1.672   3.121  12.513
  325    HG   SER  51           HG       SER  51   1.038   3.104  14.563
  326    H    HIS  52           H        HIS  52   2.027   5.414  11.053
  327    HA   HIS  52           HA       HIS  52   2.201   7.399  13.068
  328   1HB   HIS  52          2HB       HIS  52   4.156   7.580  11.910
  329   2HB   HIS  52          1HB       HIS  52   3.447   6.862  10.468
  330    HD1  HIS  52           HD1      HIS  52   4.902   9.931  11.566
  331    HD2  HIS  52           HD2      HIS  52   1.677   8.996   9.104
  332    HE1  HIS  52           HE1      HIS  52   4.378  12.023  10.235
  333    H    ILE  53           H        ILE  53   0.497   7.419   9.965
  334    HA   ILE  53           HA       ILE  53  -0.401  10.160  10.261
  335    HB   ILE  53           HB       ILE  53  -2.324   8.601   8.769
  336   1HG1  ILE  53          2HG1      ILE  53   0.572   8.170   7.975
  337   2HG1  ILE  53          1HG1      ILE  53  -0.551   6.920   8.506
  338   1HG2  ILE  53          2HG2      ILE  53  -0.412  10.842   8.347
  339   2HG2  ILE  53          1HG2      ILE  53  -1.029  10.031   6.908
  340   3HG2  ILE  53          3HG2      ILE  53  -2.149  10.772   8.050
  341   1HD1  ILE  53           HD1      ILE  53  -1.935   8.204   6.476
  342   2HD1  ILE  53           HD1      ILE  53  -0.274   8.181   5.883
  343   3HD1  ILE  53           HD1      ILE  53  -1.074   6.673   6.324
  344    H    GLN  54           H        GLN  54  -1.966   7.013  10.841
  345    HA   GLN  54           HA       GLN  54  -4.425   7.841  11.800
  346   1HB   GLN  54          2HB       GLN  54  -2.707   5.529  12.228
  347   2HB   GLN  54          1HB       GLN  54  -3.644   5.911  13.673
  348   1HG   GLN  54          2HG       GLN  54  -5.366   4.835  12.686
  349   2HG   GLN  54          1HG       GLN  54  -5.475   6.220  11.599
  350   1HE2  GLN  54          2HE2      GLN  54  -3.358   4.465   9.105
  351   2HE2  GLN  54          1HE2      GLN  54  -3.306   5.948   9.931
  352    H    THR  55           H        THR  55  -1.302   8.342  13.319
  353    HA   THR  55           HA       THR  55  -2.546   9.131  15.849
  354    HB   THR  55           HB       THR  55  -0.319   9.648  16.599
  355    HG1  THR  55           HG1      THR  55   0.979  10.549  15.246
  356   1HG2  THR  55          1HG2      THR  55  -1.003   7.175  15.691
  357   2HG2  THR  55          3HG2      THR  55   0.467   7.469  14.761
  358   3HG2  THR  55          2HG2      THR  55   0.511   7.528  16.523
  359    H    HIS  56           H        HIS  56  -0.820  10.837  13.239
  360    HA   HIS  56           HA       HIS  56  -1.992  13.353  14.223
  361   1HB   HIS  56          2HB       HIS  56  -0.234  14.409  13.263
  362   2HB   HIS  56          1HB       HIS  56   0.497  12.825  13.362
  363    HD1  HIS  56           HD1      HIS  56  -1.160  15.156  10.871
  364    HD2  HIS  56           HD2      HIS  56   1.112  11.675  10.909
  365    HE1  HIS  56           HE1      HIS  56  -0.189  14.900   8.537
  366    H    LEU  57           H        LEU  57  -3.505  11.182  12.960
  367    HA   LEU  57           HA       LEU  57  -4.780  12.781  10.821
  368   1HB   LEU  57          2HB       LEU  57  -3.279  10.807  10.008
  369   2HB   LEU  57          1HB       LEU  57  -4.568   9.779  10.628
  370    HG   LEU  57           HG       LEU  57  -6.175  10.738   9.134
  371   1HD1  LEU  57           HD1      LEU  57  -4.137  12.896   8.968
  372   2HD1  LEU  57           HD1      LEU  57  -5.044  12.560   7.492
  373   3HD1  LEU  57           HD1      LEU  57  -5.897  13.009   8.970
  374   1HD2  LEU  57           HD2      LEU  57  -3.880   9.422   8.247
  375   2HD2  LEU  57           HD2      LEU  57  -5.376   9.621   7.336
  376   3HD2  LEU  57           HD2      LEU  57  -4.054  10.772   7.127
  377    H    GLU  58           H        GLU  58  -5.018  10.475  13.476
  378    HA   GLU  58           HA       GLU  58  -7.681   9.628  13.265
  379   1HB   GLU  58          2HB       GLU  58  -7.680   9.461  15.714
  380   2HB   GLU  58          1HB       GLU  58  -6.124   8.929  15.075
  381   1HG   GLU  58          2HG       GLU  58  -5.085  11.026  15.636
  382   2HG   GLU  58          1HG       GLU  58  -6.642  11.752  16.038
  383    H    ASP  59           H        ASP  59  -6.425  12.800  14.086
  384    HA   ASP  59           HA       ASP  59  -7.573  14.860  14.109
  385   1HB   ASP  59          2HB       ASP  59  -9.115  13.518  12.447
  386   2HB   ASP  59          1HB       ASP  59 -10.207  13.446  13.830
  387    H    ARG  60           H        ARG  60  -6.852  14.417  16.456
  388    HA   ARG  60           HA       ARG  60  -8.435  13.402  18.496
  389   1HB   ARG  60          2HB       ARG  60  -6.158  14.476  18.746
  390   2HB   ARG  60          1HB       ARG  60  -6.963  16.045  18.691
  391   1HG   ARG  60          2HG       ARG  60  -7.519  15.875  20.863
  392   2HG   ARG  60          1HG       ARG  60  -8.336  14.342  20.561
  393   1HD   ARG  60          2HD       ARG  60  -6.583  13.117  21.328
  394   2HD   ARG  60          1HD       ARG  60  -5.394  14.163  20.550
  395    HE   ARG  60           HE       ARG  60  -6.584  14.616  23.239
  396   1HH1  ARG  60           HH2      ARG  60  -4.867  15.975  20.617
  397   2HH1  ARG  60           HH2      ARG  60  -3.720  16.810  21.610
  398   1HH2  ARG  60           HH1      ARG  60  -4.907  15.463  24.577
  399   2HH2  ARG  60           HH1      ARG  60  -3.741  16.519  23.852
   
  No H/Q in entry =         399
  Start of MODEL    3
    1   1H    THR  14          1H        THR  14 -15.338   7.134  13.694
    2   2H    THR  14          3H        THR  14 -16.452   8.114  14.517
    3   3H    THR  14          2H        THR  14 -16.902   6.553  14.018
    4    HA   THR  14           HA       THR  14 -17.892   7.863  12.418
    5    HB   THR  14           HB       THR  14 -16.906   9.985  13.144
    6    HG1  THR  14           HG1      THR  14 -17.731  10.163  11.143
    7   1HG2  THR  14          3HG2      THR  14 -14.421   8.650  12.178
    8   2HG2  THR  14          2HG2      THR  14 -14.548  10.395  11.954
    9   3HG2  THR  14          1HG2      THR  14 -14.661   9.702  13.572
   10    H    LEU  15           H        LEU  15 -17.011   5.461  11.928
   11    HA   LEU  15           HA       LEU  15 -16.205   4.048  10.236
   12   1HB   LEU  15          2HB       LEU  15 -17.015   6.414   8.964
   13   2HB   LEU  15          1HB       LEU  15 -15.405   6.083   8.320
   14    HG   LEU  15           HG       LEU  15 -16.163   3.703   7.911
   15   1HD1  LEU  15           HD1      LEU  15 -18.818   4.958   8.659
   16   2HD1  LEU  15           HD1      LEU  15 -18.677   3.435   7.781
   17   3HD1  LEU  15           HD1      LEU  15 -18.040   3.571   9.421
   18   1HD2  LEU  15           HD2      LEU  15 -17.154   6.146   6.533
   19   2HD2  LEU  15           HD2      LEU  15 -16.171   4.822   5.906
   20   3HD2  LEU  15           HD2      LEU  15 -17.916   4.626   6.068
   21    HA   PRO  16           HA       PRO  16 -11.899   4.918  11.428
   22   1HB   PRO  16          2HB       PRO  16 -11.401   2.330  12.212
   23   2HB   PRO  16          1HB       PRO  16 -12.114   3.555  13.276
   24   1HG   PRO  16          2HG       PRO  16 -13.434   1.248  11.924
   25   2HG   PRO  16          1HG       PRO  16 -13.892   2.087  13.415
   26   1HD   PRO  16          2HD       PRO  16 -15.097   2.440  10.876
   27   2HD   PRO  16          1HD       PRO  16 -15.315   3.491  12.292
   28    H    ARG  17           H        ARG  17  -9.993   4.374  10.251
   29    HA   ARG  17           HA       ARG  17  -8.709   3.450   8.507
   30   1HB   ARG  17          2HB       ARG  17 -10.332   1.337   9.358
   31   2HB   ARG  17          1HB       ARG  17 -10.589   1.410   7.615
   32   1HG   ARG  17          2HG       ARG  17  -7.913   1.233   9.029
   33   2HG   ARG  17          1HG       ARG  17  -8.683  -0.043   8.086
   34   1HD   ARG  17          2HD       ARG  17  -7.882   2.663   6.978
   35   2HD   ARG  17          1HD       ARG  17  -6.935   1.187   6.794
   36    HE   ARG  17           HE       ARG  17  -9.735   1.119   5.831
   37   1HH1  ARG  17           HH2      ARG  17  -7.077  -0.548   5.268
   38   2HH1  ARG  17           HH2      ARG  17  -6.884  -0.172   3.588
   39   1HH2  ARG  17           HH1      ARG  17  -9.185   2.422   3.631
   40   2HH2  ARG  17           HH1      ARG  17  -8.077   1.510   2.662
   41    H    GLY  18           H        GLY  18 -10.048   5.660   7.846
   42   1HA   GLY  18          2HA       GLY  18 -11.017   5.063   5.095
   43   2HA   GLY  18          1HA       GLY  18 -11.997   6.097   6.135
   44    H    SER  19           H        SER  19  -9.745   7.432   7.407
   45    HA   SER  19           HA       SER  19  -9.072   9.268   5.192
   46   1HB   SER  19          2HB       SER  19  -9.006   9.475   8.194
   47   2HB   SER  19          1HB       SER  19  -8.128  10.632   7.196
   48    HG   SER  19           HG       SER  19 -10.435  11.077   7.798
   49    H    ILE  20           H        ILE  20  -7.652   6.791   7.100
   50    HA   ILE  20           HA       ILE  20  -4.932   7.585   7.164
   51    HB   ILE  20           HB       ILE  20  -5.823   4.748   6.637
   52   1HG1  ILE  20          2HG1      ILE  20  -7.326   5.450   8.353
   53   2HG1  ILE  20          1HG1      ILE  20  -6.002   4.646   9.197
   54   1HG2  ILE  20          2HG2      ILE  20  -3.609   5.976   8.308
   55   2HG2  ILE  20          1HG2      ILE  20  -3.917   4.248   8.127
   56   3HG2  ILE  20          3HG2      ILE  20  -3.405   5.202   6.736
   57   1HD1  ILE  20           HD1      ILE  20  -5.081   7.230   9.026
   58   2HD1  ILE  20           HD1      ILE  20  -6.813   7.474   9.249
   59   3HD1  ILE  20           HD1      ILE  20  -5.894   6.545  10.433
   60    H    ASP  21           H        ASP  21  -6.502   5.455   4.789
   61    HA   ASP  21           HA       ASP  21  -4.302   5.523   2.940
   62   1HB   ASP  21          2HB       ASP  21  -7.087   4.523   2.944
   63   2HB   ASP  21          1HB       ASP  21  -6.444   4.937   1.354
   64    H    LYS  22           H        LYS  22  -6.559   7.896   3.772
   65    HA   LYS  22           HA       LYS  22  -6.812   9.139   1.147
   66   1HB   LYS  22          2HB       LYS  22  -8.530   9.478   2.881
   67   2HB   LYS  22          1HB       LYS  22  -7.334  10.256   3.920
   68   1HG   LYS  22          2HG       LYS  22  -7.181  12.147   2.554
   69   2HG   LYS  22          1HG       LYS  22  -7.784  11.292   1.134
   70   1HD   LYS  22          2HD       LYS  22  -9.959  11.665   1.679
   71   2HD   LYS  22          1HD       LYS  22  -9.675  11.371   3.395
   72   1HE   LYS  22          2HE       LYS  22  -9.337  13.573   3.841
   73   2HE   LYS  22          1HE       LYS  22  -8.406  13.824   2.365
   74   1HZ   LYS  22          2HZ       LYS  22 -11.317  13.381   2.238
   75   2HZ   LYS  22          1HZ       LYS  22 -10.700  14.926   2.585
   76   3HZ   LYS  22          3HZ       LYS  22 -10.304  14.164   1.121
   77    H    TYR  23           H        TYR  23  -4.185   8.765   3.070
   78    HA   TYR  23           HA       TYR  23  -2.836  11.069   1.837
   79   1HB   TYR  23          2HB       TYR  23  -3.314  10.821   4.799
   80   2HB   TYR  23          1HB       TYR  23  -1.871  11.636   4.196
   81    HD1  TYR  23           HD2      TYR  23  -2.677  13.062   1.854
   82    HD2  TYR  23           HD1      TYR  23  -4.898  12.399   5.471
   83    HE1  TYR  23           HE2      TYR  23  -4.015  15.103   1.408
   84    HE2  TYR  23           HE1      TYR  23  -6.235  14.439   5.025
   85    HH   TYR  23           HH       TYR  23  -5.354  16.731   2.662
   86    H    VAL  24           H        VAL  24  -2.404   8.427   1.259
   87    HA   VAL  24           HA       VAL  24   0.221   7.899   2.594
   88    HB   VAL  24           HB       VAL  24  -1.785   5.839   1.621
   89   1HG1  VAL  24          2HG1      VAL  24   0.971   5.651   2.851
   90   2HG1  VAL  24          1HG1      VAL  24  -0.166   4.304   2.883
   91   3HG1  VAL  24          3HG1      VAL  24   0.405   4.939   1.340
   92   1HG2  VAL  24          1HG2      VAL  24  -1.888   7.304   3.948
   93   2HG2  VAL  24          3HG2      VAL  24  -2.570   5.690   3.751
   94   3HG2  VAL  24          2HG2      VAL  24  -0.964   5.890   4.451
   95    H    LYS  25           H        LYS  25   1.866   7.987   1.140
   96    HA   LYS  25           HA       LYS  25   1.192   7.598  -1.746
   97   1HB   LYS  25          2HB       LYS  25   2.114   9.819  -1.184
   98   2HB   LYS  25          1HB       LYS  25   3.537   9.051  -0.482
   99   1HG   LYS  25          2HG       LYS  25   4.308   9.516  -2.626
  100   2HG   LYS  25          1HG       LYS  25   3.690   7.878  -2.843
  101   1HD   LYS  25          2HD       LYS  25   1.469   9.564  -3.215
  102   2HD   LYS  25          1HD       LYS  25   2.795  10.339  -4.082
  103   1HE   LYS  25          2HE       LYS  25   3.198   8.399  -5.407
  104   2HE   LYS  25          1HE       LYS  25   2.193   7.390  -4.366
  105   1HZ   LYS  25          1HZ       LYS  25   0.440   9.248  -5.074
  106   2HZ   LYS  25          3HZ       LYS  25   1.418   9.250  -6.460
  107   3HZ   LYS  25          2HZ       LYS  25   0.672   7.811  -5.950
  108    H    GLU  26           H        GLU  26   1.365   5.201  -1.123
  109    HA   GLU  26           HA       GLU  26   3.965   4.119  -0.453
  110   1HB   GLU  26          2HB       GLU  26   2.002   2.790   0.024
  111   2HB   GLU  26          1HB       GLU  26   1.489   2.855  -1.663
  112   1HG   GLU  26          2HG       GLU  26   4.188   1.867  -1.539
  113   2HG   GLU  26          1HG       GLU  26   3.174   0.925  -0.446
  114    H    MET  27           H        MET  27   5.682   4.105  -1.822
  115    HA   MET  27           HA       MET  27   5.145   4.257  -4.744
  116   1HB   MET  27          2HB       MET  27   6.953   5.610  -3.079
  117   2HB   MET  27          1HB       MET  27   7.941   4.473  -3.998
  118   1HG   MET  27          2HG       MET  27   6.917   5.293  -6.098
  119   2HG   MET  27          1HG       MET  27   5.962   6.450  -5.170
  120   1HE   MET  27          1HE       MET  27   6.247   8.337  -5.171
  121   2HE   MET  27          3HE       MET  27   7.537   9.125  -4.253
  122   3HE   MET  27          2HE       MET  27   7.529   9.204  -6.013
  123    HA   PRO  28           HA       PRO  28   6.352   0.007  -5.027
  124   1HB   PRO  28          2HB       PRO  28   6.521  -0.075  -7.777
  125   2HB   PRO  28          1HB       PRO  28   4.994  -0.159  -6.880
  126   1HG   PRO  28          2HG       PRO  28   6.167   2.142  -8.388
  127   2HG   PRO  28          1HG       PRO  28   4.466   1.741  -8.095
  128   1HD   PRO  28          2HD       PRO  28   5.908   3.710  -6.715
  129   2HD   PRO  28          1HD       PRO  28   4.398   2.967  -6.147
  130    H    ASP  29           H        ASP  29   8.204   2.720  -5.760
  131    HA   ASP  29           HA       ASP  29  10.544   1.174  -6.687
  132   1HB   ASP  29          2HB       ASP  29  11.607   3.561  -6.530
  133   2HB   ASP  29          1HB       ASP  29  10.467   3.226  -7.832
  134    H    LYS  30           H        LYS  30   9.190   1.108  -3.932
  135    HA   LYS  30           HA       LYS  30   9.980   0.657  -1.780
  136   1HB   LYS  30          2HB       LYS  30  12.438   0.727  -3.366
  137   2HB   LYS  30          1HB       LYS  30  12.684   1.283  -1.712
  138   1HG   LYS  30          2HG       LYS  30  11.077  -0.905  -1.326
  139   2HG   LYS  30          1HG       LYS  30  12.034  -1.410  -2.719
  140   1HD   LYS  30          2HD       LYS  30  13.104  -0.409  -0.064
  141   2HD   LYS  30          1HD       LYS  30  13.207  -2.057  -0.684
  142   1HE   LYS  30          2HE       LYS  30  14.317   0.181  -2.343
  143   2HE   LYS  30          1HE       LYS  30  15.249  -0.400  -0.964
  144   1HZ   LYS  30          1HZ       LYS  30  14.708  -2.708  -1.986
  145   2HZ   LYS  30          3HZ       LYS  30  14.468  -1.823  -3.412
  146   3HZ   LYS  30          2HZ       LYS  30  15.973  -1.774  -2.627
  147    H    THR  31           H        THR  31   8.690   2.888  -1.923
  148    HA   THR  31           HA       THR  31  10.227   4.734  -0.225
  149    HB   THR  31           HB       THR  31   8.758   5.936  -2.530
  150    HG1  THR  31           HG1      THR  31  11.063   6.006  -3.388
  151   1HG2  THR  31          3HG2      THR  31  10.412   6.816  -0.340
  152   2HG2  THR  31          2HG2      THR  31  11.137   7.299  -1.873
  153   3HG2  THR  31          1HG2      THR  31   9.487   7.786  -1.486
  154    H    PHE  32           H        PHE  32   8.620   6.665   0.333
  155    HA   PHE  32           HA       PHE  32   5.787   5.983   0.304
  156   1HB   PHE  32          2HB       PHE  32   7.492   5.174   2.556
  157   2HB   PHE  32          1HB       PHE  32   6.122   6.169   3.045
  158    HD1  PHE  32           HD2      PHE  32   3.817   5.425   2.671
  159    HD2  PHE  32           HD1      PHE  32   7.160   2.990   1.517
  160    HE1  PHE  32           HE2      PHE  32   2.307   3.477   2.405
  161    HE2  PHE  32           HE1      PHE  32   5.652   1.041   1.251
  162    HZ   PHE  32           HZ       PHE  32   3.224   1.284   1.695
  163    H    GLU  33           H        GLU  33   4.557   7.832   0.807
  164    HA   GLU  33           HA       GLU  33   5.960  10.131   2.041
  165   1HB   GLU  33          2HB       GLU  33   6.017   9.991  -0.645
  166   2HB   GLU  33          1HB       GLU  33   4.441  10.758  -0.439
  167   1HG   GLU  33          2HG       GLU  33   6.536  11.891   1.285
  168   2HG   GLU  33          1HG       GLU  33   6.852  12.095  -0.438
  169    H    CYS  34           H        CYS  34   4.577  10.529   3.694
  170    HA   CYS  34           HA       CYS  34   1.769   9.992   3.685
  171   1HB   CYS  34          2HB       CYS  34   3.165  10.309   5.731
  172   2HB   CYS  34          1HB       CYS  34   3.313  12.020   5.338
  173    H    LEU  35           H        LEU  35   0.465  10.949   2.174
  174    HA   LEU  35           HA       LEU  35   1.059  13.535   1.012
  175   1HB   LEU  35          2HB       LEU  35  -1.441  11.833   0.857
  176   2HB   LEU  35          1HB       LEU  35  -1.104  13.238  -0.155
  177    HG   LEU  35           HG       LEU  35   1.189  11.569  -0.273
  178   1HD1  LEU  35           HD1      LEU  35  -0.389   9.783   0.547
  179   2HD1  LEU  35           HD1      LEU  35  -1.362  10.057  -0.899
  180   3HD1  LEU  35           HD1      LEU  35   0.290   9.459  -1.049
  181   1HD2  LEU  35           HD2      LEU  35  -0.579  12.987  -1.971
  182   2HD2  LEU  35           HD2      LEU  35   0.968  12.261  -2.406
  183   3HD2  LEU  35           HD2      LEU  35  -0.523  11.336  -2.587
  184    H    PHE  36           H        PHE  36  -0.002  12.984   4.048
  185    HA   PHE  36           HA       PHE  36  -2.320  14.662   4.247
  186   1HB   PHE  36          2HB       PHE  36  -1.602  13.127   6.055
  187   2HB   PHE  36          1HB       PHE  36  -0.178  14.132   6.328
  188    HD1  PHE  36           HD2      PHE  36  -0.474  16.530   7.058
  189    HD2  PHE  36           HD1      PHE  36  -3.732  13.740   6.926
  190    HE1  PHE  36           HE2      PHE  36  -1.799  18.008   8.543
  191    HE2  PHE  36           HE1      PHE  36  -5.059  15.214   8.410
  192    HZ   PHE  36           HZ       PHE  36  -4.094  17.353   9.217
  193    HA   PRO  37           HA       PRO  37  -0.379  18.569   3.619
  194   1HB   PRO  37          2HB       PRO  37  -2.430  20.135   4.580
  195   2HB   PRO  37          1HB       PRO  37  -2.446  19.367   2.982
  196   1HG   PRO  37          2HG       PRO  37  -3.929  18.588   5.455
  197   2HG   PRO  37          1HG       PRO  37  -4.365  18.331   3.756
  198   1HD   PRO  37          2HD       PRO  37  -3.287  16.378   5.477
  199   2HD   PRO  37          1HD       PRO  37  -3.351  16.270   3.705
  200    H    GLY  38           H        GLY  38   1.265  19.111   4.967
  201   1HA   GLY  38          2HA       GLY  38   1.847  20.567   6.911
  202   2HA   GLY  38          1HA       GLY  38   0.599  19.709   7.820
  203    H    CYS  39           H        CYS  39   1.546  17.192   6.288
  204    HA   CYS  39           HA       CYS  39   3.305  16.230   8.375
  205   1HB   CYS  39          2HB       CYS  39   1.681  14.883   6.867
  206   2HB   CYS  39          1HB       CYS  39   2.984  14.916   5.680
  207    H    THR  40           H        THR  40   5.481  15.214   7.791
  208    HA   THR  40           HA       THR  40   6.919  16.399   5.535
  209    HB   THR  40           HB       THR  40   8.023  17.029   8.264
  210    HG1  THR  40           HG1      THR  40   6.316  18.692   6.729
  211   1HG2  THR  40          1HG2      THR  40   8.407  17.994   5.437
  212   2HG2  THR  40          3HG2      THR  40   8.926  18.977   6.807
  213   3HG2  THR  40          2HG2      THR  40   9.613  17.371   6.562
  214    H    LYS  41           H        LYS  41   6.264  13.730   6.723
  215    HA   LYS  41           HA       LYS  41   9.074  12.781   7.135
  216   1HB   LYS  41          2HB       LYS  41   6.480  11.757   8.312
  217   2HB   LYS  41          1HB       LYS  41   7.994  10.856   8.386
  218   1HG   LYS  41          2HG       LYS  41   8.467  13.577   9.200
  219   2HG   LYS  41          1HG       LYS  41   7.127  12.910  10.136
  220   1HD   LYS  41          2HD       LYS  41   9.817  11.560   9.763
  221   2HD   LYS  41          1HD       LYS  41   9.330  12.458  11.201
  222   1HE   LYS  41          2HE       LYS  41   7.659  10.881  11.762
  223   2HE   LYS  41          1HE       LYS  41   7.670  10.169  10.148
  224   1HZ   LYS  41          3HZ       LYS  41  10.242  10.071  11.374
  225   2HZ   LYS  41          2HZ       LYS  41   9.073   9.285  12.323
  226   3HZ   LYS  41          1HZ       LYS  41   9.319   8.815  10.708
  227    H    THR  42           H        THR  42   9.795  11.343   5.647
  228    HA   THR  42           HA       THR  42   7.768   9.918   3.968
  229    HB   THR  42           HB       THR  42   8.985  10.338   2.024
  230    HG1  THR  42           HG1      THR  42  11.062  10.174   2.069
  231   1HG2  THR  42          2HG2      THR  42   8.051  12.443   2.923
  232   2HG2  THR  42          1HG2      THR  42   9.571  12.749   3.764
  233   3HG2  THR  42          3HG2      THR  42   9.526  12.732   2.001
  234    H    PHE  43           H        PHE  43   8.183   7.712   3.654
  235    HA   PHE  43           HA       PHE  43  10.744   6.678   4.795
  236   1HB   PHE  43          2HB       PHE  43   8.341   4.975   5.142
  237   2HB   PHE  43          1HB       PHE  43   9.697   5.242   6.235
  238    HD1  PHE  43           HD1      PHE  43   6.789   7.112   4.761
  239    HD2  PHE  43           HD2      PHE  43   9.327   6.490   8.172
  240    HE1  PHE  43           HE1      PHE  43   5.407   8.693   6.077
  241    HE2  PHE  43           HE2      PHE  43   7.940   8.071   9.488
  242    HZ   PHE  43           HZ       PHE  43   5.979   9.168   8.439
  243    H    LYS  44           H        LYS  44  10.098   3.936   4.322
  244    HA   LYS  44           HA       LYS  44   9.768   3.893   1.353
  245   1HB   LYS  44          2HB       LYS  44  11.557   2.220   1.206
  246   2HB   LYS  44          1HB       LYS  44  12.168   3.698   1.953
  247   1HG   LYS  44          2HG       LYS  44  11.614   2.601   4.206
  248   2HG   LYS  44          1HG       LYS  44  11.433   1.096   3.305
  249   1HD   LYS  44          2HD       LYS  44  13.707   1.163   2.556
  250   2HD   LYS  44          1HD       LYS  44  13.913   2.820   3.125
  251   1HE   LYS  44          2HE       LYS  44  13.428   1.948   5.467
  252   2HE   LYS  44          1HE       LYS  44  13.573   0.322   4.799
  253   1HZ   LYS  44          1HZ       LYS  44  15.682   2.359   4.424
  254   2HZ   LYS  44          3HZ       LYS  44  15.648   1.350   5.787
  255   3HZ   LYS  44          2HZ       LYS  44  15.796   0.675   4.234
  256    H    ARG  45           H        ARG  45   9.984   1.139   1.008
  257    HA   ARG  45           HA       ARG  45   7.452   0.135   1.371
  258   1HB   ARG  45          2HB       ARG  45  10.062  -1.002   0.869
  259   2HB   ARG  45          1HB       ARG  45   9.119  -2.080   1.900
  260   1HG   ARG  45          2HG       ARG  45   7.289  -1.191  -0.015
  261   2HG   ARG  45          1HG       ARG  45   8.774  -1.470  -0.927
  262   1HD   ARG  45          2HD       ARG  45   8.943  -3.735  -0.046
  263   2HD   ARG  45          1HD       ARG  45   7.542  -3.467   0.992
  264    HE   ARG  45           HE       ARG  45   7.463  -3.782  -1.962
  265   1HH1  ARG  45           HH1      ARG  45   5.318  -2.004  -1.623
  266   2HH1  ARG  45           HH1      ARG  45   4.002  -2.958  -1.022
  267   1HH2  ARG  45           HH2      ARG  45   6.023  -5.592  -0.019
  268   2HH2  ARG  45           HH2      ARG  45   4.402  -4.989  -0.114
  269    H    ARG  46           H        ARG  46   6.285   0.260   3.237
  270    HA   ARG  46           HA       ARG  46   6.894  -1.405   5.478
  271   1HB   ARG  46          2HB       ARG  46   8.026   1.299   5.523
  272   2HB   ARG  46          1HB       ARG  46   6.995   0.965   6.915
  273   1HG   ARG  46          2HG       ARG  46   8.303  -1.297   7.022
  274   2HG   ARG  46          1HG       ARG  46   9.501  -0.451   6.043
  275   1HD   ARG  46          2HD       ARG  46   9.467   1.397   7.773
  276   2HD   ARG  46          1HD       ARG  46   8.486   0.337   8.784
  277    HE   ARG  46           HE       ARG  46  11.052  -0.772   7.824
  278   1HH1  ARG  46           HH2      ARG  46   9.380  -1.715  10.205
  279   2HH1  ARG  46           HH2      ARG  46  10.340  -1.142  11.528
  280   1HH2  ARG  46           HH1      ARG  46  12.220   1.018   9.573
  281   2HH2  ARG  46           HH1      ARG  46  11.949   0.406  11.170
  282    H    TYR  47           H        TYR  47   5.282  -0.999   7.285
  283    HA   TYR  47           HA       TYR  47   2.875   0.442   6.266
  284   1HB   TYR  47          2HB       TYR  47   2.045  -1.634   8.028
  285   2HB   TYR  47          1HB       TYR  47   1.712  -1.490   6.304
  286    HD1  TYR  47           HD2      TYR  47   3.875  -2.079   4.782
  287    HD2  TYR  47           HD1      TYR  47   3.093  -3.579   8.728
  288    HE1  TYR  47           HE2      TYR  47   5.351  -4.024   4.332
  289    HE2  TYR  47           HE1      TYR  47   4.567  -5.526   8.281
  290    HH   TYR  47           HH       TYR  47   5.544  -6.433   5.248
  291    H    ASN  48           H        ASN  48   5.190   0.750   8.413
  292    HA   ASN  48           HA       ASN  48   3.596   1.006  10.852
  293   1HB   ASN  48          2HB       ASN  48   6.452   1.879  10.313
  294   2HB   ASN  48          1HB       ASN  48   5.688   1.728  11.896
  295   1HD2  ASN  48           HD2      ASN  48   5.518  -1.950  11.528
  296   2HD2  ASN  48           HD2      ASN  48   4.438  -0.689  11.881
  297    H    ILE  49           H        ILE  49   4.884   3.064   8.323
  298    HA   ILE  49           HA       ILE  49   4.501   5.569   9.641
  299    HB   ILE  49           HB       ILE  49   5.078   6.550   7.660
  300   1HG1  ILE  49          2HG1      ILE  49   2.788   5.995   6.670
  301   2HG1  ILE  49          1HG1      ILE  49   4.113   6.115   5.517
  302   1HG2  ILE  49          3HG2      ILE  49   6.587   4.557   7.937
  303   2HG2  ILE  49          2HG2      ILE  49   5.569   3.696   6.782
  304   3HG2  ILE  49          1HG2      ILE  49   6.448   5.131   6.277
  305   1HD1  ILE  49           HD1      ILE  49   3.887   3.428   6.590
  306   2HD1  ILE  49           HD1      ILE  49   2.388   3.947   5.820
  307   3HD1  ILE  49           HD1      ILE  49   3.900   3.966   4.911
  308    H    ARG  50           H        ARG  50   2.306   3.351   8.076
  309    HA   ARG  50           HA       ARG  50   0.062   5.054   7.709
  310   1HB   ARG  50          2HB       ARG  50   0.572   2.198   7.811
  311   2HB   ARG  50          1HB       ARG  50  -0.936   2.586   8.641
  312   1HG   ARG  50          2HG       ARG  50  -1.565   3.979   6.612
  313   2HG   ARG  50          1HG       ARG  50  -0.173   3.269   5.793
  314   1HD   ARG  50          2HD       ARG  50  -2.114   1.437   7.150
  315   2HD   ARG  50          1HD       ARG  50  -2.570   2.146   5.602
  316    HE   ARG  50           HE       ARG  50   0.071   1.065   5.392
  317   1HH1  ARG  50           HH2      ARG  50  -2.157  -0.762   6.866
  318   2HH1  ARG  50           HH2      ARG  50  -2.448  -1.872   5.570
  319   1HH2  ARG  50           HH1      ARG  50  -0.762   0.029   3.211
  320   2HH2  ARG  50           HH1      ARG  50  -1.657  -1.425   3.500
  321    H    SER  51           H        SER  51   0.984   3.057  10.525
  322    HA   SER  51           HA       SER  51  -1.078   3.903  12.270
  323   1HB   SER  51          2HB       SER  51   0.597   2.066  12.717
  324   2HB   SER  51          1HB       SER  51   1.793   3.315  13.054
  325    HG   SER  51           HG       SER  51  -0.718   3.042  14.359
  326    H    HIS  52           H        HIS  52   1.972   5.413  11.362
  327    HA   HIS  52           HA       HIS  52   2.058   7.462  13.321
  328   1HB   HIS  52          2HB       HIS  52   3.993   7.686  12.140
  329   2HB   HIS  52          1HB       HIS  52   3.301   6.906  10.725
  330    HD1  HIS  52           HD1      HIS  52   4.420  10.139  11.954
  331    HD2  HIS  52           HD2      HIS  52   1.668   8.842   9.104
  332    HE1  HIS  52           HE1      HIS  52   3.883  12.147  10.511
  333    H    ILE  53           H        ILE  53   0.555   7.551  10.088
  334    HA   ILE  53           HA       ILE  53  -0.618  10.140  10.512
  335    HB   ILE  53           HB       ILE  53  -2.224   9.402   8.663
  336   1HG1  ILE  53          2HG1      ILE  53  -0.364   7.004   8.654
  337   2HG1  ILE  53          1HG1      ILE  53  -2.078   6.973   9.078
  338   1HG2  ILE  53          1HG2      ILE  53   0.291  10.391   8.562
  339   2HG2  ILE  53          3HG2      ILE  53   0.510   8.899   7.649
  340   3HG2  ILE  53          2HG2      ILE  53  -0.690  10.080   7.130
  341   1HD1  ILE  53           HD1      ILE  53  -2.575   7.922   6.805
  342   2HD1  ILE  53           HD1      ILE  53  -0.869   7.715   6.405
  343   3HD1  ILE  53           HD1      ILE  53  -1.866   6.306   6.764
  344    H    GLN  54           H        GLN  54  -1.400   6.993  11.673
  345    HA   GLN  54           HA       GLN  54  -4.216   7.417  12.008
  346   1HB   GLN  54          2HB       GLN  54  -2.266   5.423  12.805
  347   2HB   GLN  54          1HB       GLN  54  -3.354   5.790  14.144
  348   1HG   GLN  54          2HG       GLN  54  -4.784   4.347  13.139
  349   2HG   GLN  54          1HG       GLN  54  -5.084   5.662  12.002
  350   1HE2  GLN  54          2HE2      GLN  54  -2.725   4.236   9.566
  351   2HE2  GLN  54          1HE2      GLN  54  -3.042   5.741  10.286
  352    H    THR  55           H        THR  55  -1.424   8.578  13.757
  353    HA   THR  55           HA       THR  55  -3.218   9.465  15.938
  354    HB   THR  55           HB       THR  55  -1.136   8.591  16.757
  355    HG1  THR  55           HG1      THR  55  -0.758  11.390  16.695
  356   1HG2  THR  55          1HG2      THR  55   0.054  10.323  14.596
  357   2HG2  THR  55          3HG2      THR  55   1.026   9.753  15.953
  358   3HG2  THR  55          2HG2      THR  55   0.270   8.593  14.860
  359    H    HIS  56           H        HIS  56  -1.234  10.783  13.325
  360    HA   HIS  56           HA       HIS  56  -2.280  13.455  14.039
  361   1HB   HIS  56          2HB       HIS  56  -0.318  14.294  13.373
  362   2HB   HIS  56          1HB       HIS  56   0.264  12.645  13.393
  363    HD1  HIS  56           HD1      HIS  56  -1.051  15.276  10.995
  364    HD2  HIS  56           HD2      HIS  56   0.943  11.624  10.887
  365    HE1  HIS  56           HE1      HIS  56  -0.010  15.086   8.687
  366    H    LEU  57           H        LEU  57  -3.555  11.072  12.506
  367    HA   LEU  57           HA       LEU  57  -4.763  12.829  10.455
  368   1HB   LEU  57          2HB       LEU  57  -2.914  10.905   9.712
  369   2HB   LEU  57          1HB       LEU  57  -4.460  10.088   9.477
  370    HG   LEU  57           HG       LEU  57  -4.195  12.899   8.508
  371   1HD1  LEU  57           HD1      LEU  57  -3.039  10.461   7.120
  372   2HD1  LEU  57           HD1      LEU  57  -3.286  12.026   6.345
  373   3HD1  LEU  57           HD1      LEU  57  -2.141  11.872   7.677
  374   1HD2  LEU  57           HD2      LEU  57  -6.022  10.707   8.288
  375   2HD2  LEU  57           HD2      LEU  57  -6.186  12.332   7.623
  376   3HD2  LEU  57           HD2      LEU  57  -5.402  11.067   6.678
  377    H    GLU  58           H        GLU  58  -5.156  10.640  13.006
  378    HA   GLU  58           HA       GLU  58  -7.618   9.401  12.041
  379   1HB   GLU  58          2HB       GLU  58  -6.414   8.165  13.694
  380   2HB   GLU  58          1HB       GLU  58  -6.292   9.569  14.755
  381   1HG   GLU  58          2HG       GLU  58  -9.064   9.052  14.135
  382   2HG   GLU  58          1HG       GLU  58  -8.309   7.588  14.766
  383    H    ASP  59           H        ASP  59  -6.733  12.294  13.813
  384    HA   ASP  59           HA       ASP  59  -9.062  13.026  15.115
  385   1HB   ASP  59          2HB       ASP  59  -7.023  14.439  15.010
  386   2HB   ASP  59          1HB       ASP  59  -7.408  14.848  13.338
  387    H    ARG  60           H        ARG  60  -8.429  14.122  11.761
  388    HA   ARG  60           HA       ARG  60 -11.082  14.885  11.186
  389   1HB   ARG  60          2HB       ARG  60  -9.023  13.733   9.276
  390   2HB   ARG  60          1HB       ARG  60 -10.457  14.646   8.806
  391   1HG   ARG  60          2HG       ARG  60  -9.021  16.119  10.817
  392   2HG   ARG  60          1HG       ARG  60  -7.910  15.675   9.520
  393   1HD   ARG  60          2HD       ARG  60 -10.576  17.080   9.176
  394   2HD   ARG  60          1HD       ARG  60  -8.984  17.820   9.005
  395    HE   ARG  60           HE       ARG  60  -8.862  15.775   7.190
  396   1HH1  ARG  60           HH2      ARG  60 -11.964  16.291   7.451
  397   2HH1  ARG  60           HH2      ARG  60 -12.209  17.241   6.024
  398   1HH2  ARG  60           HH1      ARG  60  -8.830  17.838   5.523
  399   2HH2  ARG  60           HH1      ARG  60 -10.435  18.118   4.933
   
  No H/Q in entry =         399
  Start of MODEL    4
    1   1H    THR  14          2H        THR  14 -16.734   4.517  12.099
    2   2H    THR  14          1H        THR  14 -17.392   4.323  13.654
    3   3H    THR  14          3H        THR  14 -15.710   4.436  13.453
    4    HA   THR  14           HA       THR  14 -15.899   2.191  13.672
    5    HB   THR  14           HB       THR  14 -18.199   1.880  13.998
    6    HG1  THR  14           HG1      THR  14 -17.087   0.306  12.495
    7   1HG2  THR  14          3HG2      THR  14 -18.488   3.297  11.350
    8   2HG2  THR  14          2HG2      THR  14 -19.826   2.398  12.065
    9   3HG2  THR  14          1HG2      THR  14 -19.129   3.773  12.923
   10    H    LEU  15           H        LEU  15 -14.818   0.781  12.304
   11    HA   LEU  15           HA       LEU  15 -13.672   0.112  10.368
   12   1HB   LEU  15          2HB       LEU  15 -16.232   1.137   9.103
   13   2HB   LEU  15          1HB       LEU  15 -15.019   0.160   8.274
   14    HG   LEU  15           HG       LEU  15 -16.318  -0.750  10.844
   15   1HD1  LEU  15           HD1      LEU  15 -17.667  -0.347   8.427
   16   2HD1  LEU  15           HD1      LEU  15 -17.269  -2.065   8.426
   17   3HD1  LEU  15           HD1      LEU  15 -18.195  -1.376   9.759
   18   1HD2  LEU  15           HD2      LEU  15 -14.231  -1.713   9.145
   19   2HD2  LEU  15           HD2      LEU  15 -14.895  -2.477  10.589
   20   3HD2  LEU  15           HD2      LEU  15 -15.595  -2.822   9.006
   21    HA   PRO  16           HA       PRO  16 -12.331   4.418   9.498
   22   1HB   PRO  16          2HB       PRO  16  -9.727   3.992  10.270
   23   2HB   PRO  16          1HB       PRO  16 -11.009   4.496  11.385
   24   1HG   PRO  16          2HG       PRO  16  -9.724   1.821  11.089
   25   2HG   PRO  16          1HG       PRO  16 -10.501   2.542  12.509
   26   1HD   PRO  16          2HD       PRO  16 -11.651   0.605  10.790
   27   2HD   PRO  16          1HD       PRO  16 -12.515   1.567  12.009
   28    H    ARG  17           H        ARG  17 -11.748   4.831   7.393
   29    HA   ARG  17           HA       ARG  17  -9.515   3.562   6.095
   30   1HB   ARG  17          2HB       ARG  17 -10.701   2.254   4.412
   31   2HB   ARG  17          1HB       ARG  17 -11.156   1.678   6.016
   32   1HG   ARG  17          2HG       ARG  17 -12.808   3.847   4.787
   33   2HG   ARG  17          1HG       ARG  17 -13.003   2.207   4.170
   34   1HD   ARG  17          2HD       ARG  17 -14.015   1.479   6.070
   35   2HD   ARG  17          1HD       ARG  17 -12.925   2.395   7.111
   36    HE   ARG  17           HE       ARG  17 -14.488   4.170   7.104
   37   1HH1  ARG  17           HH2      ARG  17 -14.844   4.571   4.215
   38   2HH1  ARG  17           HH2      ARG  17 -16.483   4.080   3.946
   39   1HH2  ARG  17           HH1      ARG  17 -16.739   2.362   6.948
   40   2HH2  ARG  17           HH1      ARG  17 -17.557   2.829   5.494
   41    H    GLY  18           H        GLY  18 -10.565   6.232   6.526
   42   1HA   GLY  18          2HA       GLY  18 -10.531   7.133   3.712
   43   2HA   GLY  18          1HA       GLY  18 -11.941   7.602   4.664
   44    H    SER  19           H        SER  19  -9.028   7.304   6.449
   45    HA   SER  19           HA       SER  19  -8.690  10.263   6.373
   46   1HB   SER  19          2HB       SER  19  -8.370   8.404   8.743
   47   2HB   SER  19          1HB       SER  19  -8.037  10.134   8.760
   48    HG   SER  19           HG       SER  19 -10.219  10.489   8.245
   49    H    ILE  20           H        ILE  20  -7.076   7.153   6.926
   50    HA   ILE  20           HA       ILE  20  -4.457   8.474   6.502
   51    HB   ILE  20           HB       ILE  20  -5.249   5.744   7.529
   52   1HG1  ILE  20          2HG1      ILE  20  -4.065   6.532   9.543
   53   2HG1  ILE  20          1HG1      ILE  20  -3.673   8.044   8.727
   54   1HG2  ILE  20          3HG2      ILE  20  -2.735   6.652   6.286
   55   2HG2  ILE  20          2HG2      ILE  20  -2.530   5.922   7.878
   56   3HG2  ILE  20          1HG2      ILE  20  -3.314   5.015   6.586
   57   1HD1  ILE  20           HD1      ILE  20  -6.535   7.188   8.862
   58   2HD1  ILE  20           HD1      ILE  20  -5.791   7.891  10.297
   59   3HD1  ILE  20           HD1      ILE  20  -5.855   8.814   8.798
   60    H    ASP  21           H        ASP  21  -6.619   6.072   5.100
   61    HA   ASP  21           HA       ASP  21  -4.770   5.184   3.063
   62   1HB   ASP  21          2HB       ASP  21  -7.805   5.128   3.078
   63   2HB   ASP  21          1HB       ASP  21  -6.762   4.205   1.994
   64    H    LYS  22           H        LYS  22  -6.544   8.055   3.517
   65    HA   LYS  22           HA       LYS  22  -6.691   8.686   0.635
   66   1HB   LYS  22          2HB       LYS  22  -8.052   9.562   2.992
   67   2HB   LYS  22          1HB       LYS  22  -7.250  10.962   2.275
   68   1HG   LYS  22          2HG       LYS  22  -8.246   9.838   0.035
   69   2HG   LYS  22          1HG       LYS  22  -9.454   9.282   1.195
   70   1HD   LYS  22          2HD       LYS  22  -8.584  12.166   0.827
   71   2HD   LYS  22          1HD       LYS  22 -10.081  11.469   0.208
   72   1HE   LYS  22          2HE       LYS  22 -11.060  11.922   2.182
   73   2HE   LYS  22          1HE       LYS  22  -9.959  10.779   2.951
   74   1HZ   LYS  22          1HZ       LYS  22  -8.856  13.395   2.343
   75   2HZ   LYS  22          3HZ       LYS  22 -10.042  13.364   3.553
   76   3HZ   LYS  22          2HZ       LYS  22  -8.643  12.415   3.713
   77    H    TYR  23           H        TYR  23  -4.262   8.654   2.844
   78    HA   TYR  23           HA       TYR  23  -2.803  10.773   1.369
   79   1HB   TYR  23          2HB       TYR  23  -3.154  10.675   4.374
   80   2HB   TYR  23          1HB       TYR  23  -1.871  11.597   3.589
   81    HD1  TYR  23           HD2      TYR  23  -3.174  12.644   1.188
   82    HD2  TYR  23           HD1      TYR  23  -4.703  12.247   5.183
   83    HE1  TYR  23           HE2      TYR  23  -4.766  14.498   0.763
   84    HE2  TYR  23           HE1      TYR  23  -6.294  14.100   4.758
   85    HH   TYR  23           HH       TYR  23  -7.366  15.067   2.262
   86    H    VAL  24           H        VAL  24  -2.333   8.191   0.848
   87    HA   VAL  24           HA       VAL  24   0.218   7.645   2.303
   88    HB   VAL  24           HB       VAL  24  -1.821   5.587   1.401
   89   1HG1  VAL  24          2HG1      VAL  24   1.003   5.447   2.356
   90   2HG1  VAL  24          1HG1      VAL  24  -0.115   4.218   2.947
   91   3HG1  VAL  24          3HG1      VAL  24   0.151   4.409   1.213
   92   1HG2  VAL  24          3HG2      VAL  24  -1.882   7.146   3.672
   93   2HG2  VAL  24          2HG2      VAL  24  -2.607   5.544   3.536
   94   3HG2  VAL  24          1HG2      VAL  24  -0.995   5.726   4.226
   95    H    LYS  25           H        LYS  25   1.708   8.157   0.740
   96    HA   LYS  25           HA       LYS  25   1.167   7.330  -2.064
   97   1HB   LYS  25          2HB       LYS  25   1.912   9.669  -1.618
   98   2HB   LYS  25          1HB       LYS  25   3.418   9.033  -0.954
   99   1HG   LYS  25          2HG       LYS  25   4.269   8.571  -3.010
  100   2HG   LYS  25          1HG       LYS  25   2.727   7.960  -3.609
  101   1HD   LYS  25          2HD       LYS  25   1.928  10.355  -3.735
  102   2HD   LYS  25          1HD       LYS  25   3.580  10.857  -3.372
  103   1HE   LYS  25          2HE       LYS  25   3.423   8.865  -5.521
  104   2HE   LYS  25          1HE       LYS  25   2.588  10.370  -5.905
  105   1HZ   LYS  25          2HZ       LYS  25   4.729  11.440  -4.961
  106   2HZ   LYS  25          1HZ       LYS  25   5.430   9.927  -5.292
  107   3HZ   LYS  25          3HZ       LYS  25   4.730  10.829  -6.547
  108    H    GLU  26           H        GLU  26   1.583   5.061  -1.818
  109    HA   GLU  26           HA       GLU  26   4.248   4.243  -0.835
  110   1HB   GLU  26          2HB       GLU  26   2.447   2.803  -0.163
  111   2HB   GLU  26          1HB       GLU  26   1.836   2.698  -1.814
  112   1HG   GLU  26          2HG       GLU  26   3.797   1.469  -2.529
  113   2HG   GLU  26          1HG       GLU  26   4.569   1.707  -0.960
  114    H    MET  27           H        MET  27   5.939   4.149  -2.227
  115    HA   MET  27           HA       MET  27   5.364   4.045  -5.143
  116   1HB   MET  27          2HB       MET  27   8.009   4.568  -3.764
  117   2HB   MET  27          1HB       MET  27   7.616   4.864  -5.457
  118   1HG   MET  27          2HG       MET  27   5.654   6.304  -4.261
  119   2HG   MET  27          1HG       MET  27   6.927   6.454  -3.049
  120   1HE   MET  27          1HE       MET  27   8.326   7.762  -2.870
  121   2HE   MET  27          3HE       MET  27   9.621   8.042  -4.042
  122   3HE   MET  27          2HE       MET  27   8.392   9.276  -3.769
  123    HA   PRO  28           HA       PRO  28   6.637  -0.158  -5.314
  124   1HB   PRO  28          2HB       PRO  28   7.245  -0.251  -8.000
  125   2HB   PRO  28          1HB       PRO  28   5.592  -0.285  -7.361
  126   1HG   PRO  28          2HG       PRO  28   7.064   1.976  -8.654
  127   2HG   PRO  28          1HG       PRO  28   5.326   1.628  -8.643
  128   1HD   PRO  28          2HD       PRO  28   6.582   3.555  -7.041
  129   2HD   PRO  28          1HD       PRO  28   4.979   2.857  -6.727
  130    H    ASP  29           H        ASP  29   8.671   2.504  -5.855
  131    HA   ASP  29           HA       ASP  29  11.081   0.888  -6.362
  132   1HB   ASP  29          2HB       ASP  29  12.193   3.211  -6.078
  133   2HB   ASP  29          1HB       ASP  29  11.161   2.974  -7.488
  134    H    LYS  30           H        LYS  30   9.279   0.989  -3.816
  135    HA   LYS  30           HA       LYS  30   9.697   0.486  -1.580
  136   1HB   LYS  30          2HB       LYS  30  12.591   1.082  -2.189
  137   2HB   LYS  30          1HB       LYS  30  11.965   0.186  -0.809
  138   1HG   LYS  30          2HG       LYS  30  10.938  -1.003  -3.203
  139   2HG   LYS  30          1HG       LYS  30  12.684  -0.826  -3.375
  140   1HD   LYS  30          2HD       LYS  30  11.674  -1.835  -0.758
  141   2HD   LYS  30          1HD       LYS  30  11.591  -2.937  -2.132
  142   1HE   LYS  30          2HE       LYS  30  14.085  -2.060  -2.510
  143   2HE   LYS  30          1HE       LYS  30  13.984  -1.781  -0.771
  144   1HZ   LYS  30          1HZ       LYS  30  13.287  -4.085  -0.488
  145   2HZ   LYS  30          3HZ       LYS  30  13.430  -4.348  -2.158
  146   3HZ   LYS  30          2HZ       LYS  30  14.811  -3.990  -1.235
  147    H    THR  31           H        THR  31   8.612   2.838  -2.010
  148    HA   THR  31           HA       THR  31  10.107   4.645  -0.190
  149    HB   THR  31           HB       THR  31   8.617   5.804  -2.504
  150    HG1  THR  31           HG1      THR  31  11.369   5.219  -2.602
  151   1HG2  THR  31          1HG2      THR  31  10.527   6.666  -0.429
  152   2HG2  THR  31          3HG2      THR  31  10.838   7.319  -2.038
  153   3HG2  THR  31          2HG2      THR  31   9.277   7.591  -1.263
  154    H    PHE  32           H        PHE  32   8.495   6.601   0.312
  155    HA   PHE  32           HA       PHE  32   5.667   5.909   0.339
  156   1HB   PHE  32          2HB       PHE  32   7.398   5.185   2.602
  157   2HB   PHE  32          1HB       PHE  32   6.018   6.180   3.066
  158    HD1  PHE  32           HD2      PHE  32   3.711   5.417   2.650
  159    HD2  PHE  32           HD1      PHE  32   7.099   2.948   1.715
  160    HE1  PHE  32           HE2      PHE  32   2.220   3.444   2.459
  161    HE2  PHE  32           HE1      PHE  32   5.609   0.975   1.524
  162    HZ   PHE  32           HZ       PHE  32   3.169   1.222   1.898
  163    H    GLU  33           H        GLU  33   4.423   7.763   0.856
  164    HA   GLU  33           HA       GLU  33   5.851  10.107   1.964
  165   1HB   GLU  33          2HB       GLU  33   5.401   9.763  -0.829
  166   2HB   GLU  33          1HB       GLU  33   4.321  11.038  -0.266
  167   1HG   GLU  33          2HG       GLU  33   7.107  11.116   0.767
  168   2HG   GLU  33          1HG       GLU  33   6.891  11.507  -0.940
  169    H    CYS  34           H        CYS  34   4.475  10.270   3.717
  170    HA   CYS  34           HA       CYS  34   1.666   9.854   3.729
  171   1HB   CYS  34          2HB       CYS  34   3.171  10.152   5.741
  172   2HB   CYS  34          1HB       CYS  34   3.206  11.876   5.388
  173    H    LEU  35           H        LEU  35   0.458  10.848   2.131
  174    HA   LEU  35           HA       LEU  35   1.067  13.515   1.166
  175   1HB   LEU  35          2HB       LEU  35  -1.455  11.893   0.741
  176   2HB   LEU  35          1HB       LEU  35  -0.890  13.244  -0.241
  177    HG   LEU  35           HG       LEU  35   1.254  11.386  -0.069
  178   1HD1  LEU  35           HD1      LEU  35  -1.453  10.158  -0.328
  179   2HD1  LEU  35           HD1      LEU  35  -0.184   9.558  -1.396
  180   3HD1  LEU  35           HD1      LEU  35   0.026   9.482   0.354
  181   1HD2  LEU  35           HD2      LEU  35  -0.669  12.247  -2.243
  182   2HD2  LEU  35           HD2      LEU  35   0.976  12.818  -1.966
  183   3HD2  LEU  35           HD2      LEU  35   0.700  11.181  -2.561
  184    H    PHE  36           H        PHE  36  -0.135  12.757   4.098
  185    HA   PHE  36           HA       PHE  36  -2.537  14.283   4.308
  186   1HB   PHE  36          2HB       PHE  36  -1.734  12.807   6.111
  187   2HB   PHE  36          1HB       PHE  36  -0.356  13.874   6.374
  188    HD1  PHE  36           HD2      PHE  36  -0.702  16.185   7.238
  189    HD2  PHE  36           HD1      PHE  36  -3.929  13.380   6.905
  190    HE1  PHE  36           HE2      PHE  36  -2.067  17.578   8.762
  191    HE2  PHE  36           HE1      PHE  36  -5.297  14.766   8.432
  192    HZ   PHE  36           HZ       PHE  36  -4.370  16.874   9.359
  193    HA   PRO  37           HA       PRO  37  -0.928  18.347   3.745
  194   1HB   PRO  37          2HB       PRO  37  -3.086  19.726   4.762
  195   2HB   PRO  37          1HB       PRO  37  -3.058  18.994   3.147
  196   1HG   PRO  37          2HG       PRO  37  -4.448  18.049   5.617
  197   2HG   PRO  37          1HG       PRO  37  -4.879  17.791   3.917
  198   1HD   PRO  37          2HD       PRO  37  -3.633  15.898   5.588
  199   2HD   PRO  37          1HD       PRO  37  -3.706  15.819   3.815
  200    H    GLY  38           H        GLY  38   0.705  18.920   5.101
  201   1HA   GLY  38          2HA       GLY  38   1.189  20.405   7.068
  202   2HA   GLY  38          1HA       GLY  38   0.034  19.420   7.974
  203    H    CYS  39           H        CYS  39   1.157  17.049   6.333
  204    HA   CYS  39           HA       CYS  39   3.014  16.139   8.351
  205   1HB   CYS  39          2HB       CYS  39   1.481  14.742   6.792
  206   2HB   CYS  39          1HB       CYS  39   2.766  14.931   5.598
  207    H    THR  40           H        THR  40   5.259  15.310   7.684
  208    HA   THR  40           HA       THR  40   6.577  16.711   5.483
  209    HB   THR  40           HB       THR  40   7.932  17.356   8.015
  210    HG1  THR  40           HG1      THR  40   6.191  18.079   8.928
  211   1HG2  THR  40          2HG2      THR  40   8.471  18.158   5.657
  212   2HG2  THR  40          1HG2      THR  40   7.025  19.163   5.767
  213   3HG2  THR  40          3HG2      THR  40   8.363  19.418   6.887
  214    H    LYS  41           H        LYS  41   6.175  13.951   6.682
  215    HA   LYS  41           HA       LYS  41   9.078  13.235   6.797
  216   1HB   LYS  41          2HB       LYS  41   7.371  13.044   8.946
  217   2HB   LYS  41          1HB       LYS  41   7.262  11.428   8.246
  218   1HG   LYS  41          2HG       LYS  41   9.342  10.894   8.937
  219   2HG   LYS  41          1HG       LYS  41  10.010  12.396   8.296
  220   1HD   LYS  41          2HD       LYS  41  10.346  12.439  10.680
  221   2HD   LYS  41          1HD       LYS  41   9.046  13.575  10.320
  222   1HE   LYS  41          2HE       LYS  41   7.439  11.618  10.766
  223   2HE   LYS  41          1HE       LYS  41   8.826  10.794  11.477
  224   1HZ   LYS  41          2HZ       LYS  41   8.800  13.369  12.504
  225   2HZ   LYS  41          1HZ       LYS  41   7.201  12.803  12.602
  226   3HZ   LYS  41          3HZ       LYS  41   8.456  11.923  13.327
  227    H    THR  42           H        THR  42   9.657  11.486   5.544
  228    HA   THR  42           HA       THR  42   7.445  10.008   4.169
  229    HB   THR  42           HB       THR  42   8.543  10.148   2.123
  230    HG1  THR  42           HG1      THR  42  10.902  11.009   2.370
  231   1HG2  THR  42          1HG2      THR  42   8.179  12.506   3.501
  232   2HG2  THR  42          3HG2      THR  42   9.848  12.645   2.946
  233   3HG2  THR  42          2HG2      THR  42   8.549  12.385   1.781
  234    H    PHE  43           H        PHE  43   8.017   7.760   3.597
  235    HA   PHE  43           HA       PHE  43  10.374   6.710   5.095
  236   1HB   PHE  43          2HB       PHE  43   7.821   5.145   5.110
  237   2HB   PHE  43          1HB       PHE  43   9.135   5.148   6.285
  238    HD1  PHE  43           HD1      PHE  43   6.481   7.393   4.874
  239    HD2  PHE  43           HD2      PHE  43   8.904   6.368   8.270
  240    HE1  PHE  43           HE1      PHE  43   5.243   9.040   6.253
  241    HE2  PHE  43           HE2      PHE  43   7.665   8.016   9.649
  242    HZ   PHE  43           HZ       PHE  43   5.833   9.349   8.639
  243    H    LYS  44           H        LYS  44  10.125   4.046   4.538
  244    HA   LYS  44           HA       LYS  44  10.085   3.993   1.547
  245   1HB   LYS  44          2HB       LYS  44  11.784   2.330   3.432
  246   2HB   LYS  44          1HB       LYS  44  11.831   2.270   1.670
  247   1HG   LYS  44          2HG       LYS  44  12.158   4.956   2.147
  248   2HG   LYS  44          1HG       LYS  44  13.020   4.239   3.508
  249   1HD   LYS  44          2HD       LYS  44  13.502   2.995   0.854
  250   2HD   LYS  44          1HD       LYS  44  14.164   4.613   1.088
  251   1HE   LYS  44          2HE       LYS  44  15.219   3.814   3.216
  252   2HE   LYS  44          1HE       LYS  44  14.663   2.186   2.834
  253   1HZ   LYS  44          3HZ       LYS  44  16.324   3.788   0.979
  254   2HZ   LYS  44          2HZ       LYS  44  16.994   2.739   2.135
  255   3HZ   LYS  44          1HZ       LYS  44  15.991   2.127   0.908
  256    H    ARG  45           H        ARG  45  10.096   1.363   1.011
  257    HA   ARG  45           HA       ARG  45   7.483   0.468   1.284
  258   1HB   ARG  45          2HB       ARG  45   9.174  -0.613  -0.172
  259   2HB   ARG  45          1HB       ARG  45   9.957  -1.290   1.257
  260   1HG   ARG  45          2HG       ARG  45   7.441  -2.129   1.715
  261   2HG   ARG  45          1HG       ARG  45   7.395  -2.063  -0.047
  262   1HD   ARG  45          2HD       ARG  45   9.853  -3.246   0.502
  263   2HD   ARG  45          1HD       ARG  45   8.770  -3.960   1.696
  264    HE   ARG  45           HE       ARG  45   8.044  -3.962  -1.202
  265   1HH1  ARG  45           HH2      ARG  45   7.091  -5.187   1.704
  266   2HH1  ARG  45           HH2      ARG  45   7.151  -6.859   1.252
  267   1HH2  ARG  45           HH1      ARG  45   8.779  -6.262  -1.750
  268   2HH2  ARG  45           HH1      ARG  45   8.108  -7.468  -0.703
  269    H    ARG  46           H        ARG  46   6.499   0.593   3.292
  270    HA   ARG  46           HA       ARG  46   7.247  -1.436   5.259
  271   1HB   ARG  46          2HB       ARG  46   8.491   1.004   5.554
  272   2HB   ARG  46          1HB       ARG  46   7.064   1.189   6.575
  273   1HG   ARG  46          2HG       ARG  46   7.796  -0.343   8.089
  274   2HG   ARG  46          1HG       ARG  46   8.430  -1.415   6.839
  275   1HD   ARG  46          2HD       ARG  46  10.223  -0.435   8.284
  276   2HD   ARG  46          1HD       ARG  46  10.407  -0.018   6.581
  277    HE   ARG  46           HE       ARG  46   9.106   2.156   7.352
  278   1HH1  ARG  46           HH2      ARG  46  12.189   1.236   7.926
  279   2HH1  ARG  46           HH2      ARG  46  12.433   2.167   9.366
  280   1HH2  ARG  46           HH1      ARG  46   9.081   2.973   9.731
  281   2HH2  ARG  46           HH1      ARG  46  10.673   3.150  10.388
  282    H    TYR  47           H        TYR  47   5.769  -0.555   7.416
  283    HA   TYR  47           HA       TYR  47   3.126   0.302   6.407
  284   1HB   TYR  47          2HB       TYR  47   2.605  -1.878   8.154
  285   2HB   TYR  47          1HB       TYR  47   2.212  -1.762   6.441
  286    HD1  TYR  47           HD1      TYR  47   5.014  -2.596   8.777
  287    HD2  TYR  47           HD2      TYR  47   3.273  -3.156   4.894
  288    HE1  TYR  47           HE1      TYR  47   6.704  -4.346   8.271
  289    HE2  TYR  47           HE2      TYR  47   4.958  -4.906   4.384
  290    HH   TYR  47           HH       TYR  47   7.223  -6.042   6.847
  291    H    ASN  48           H        ASN  48   5.371   1.094   8.358
  292    HA   ASN  48           HA       ASN  48   3.799   1.085  10.862
  293   1HB   ASN  48          2HB       ASN  48   6.623   2.101  10.449
  294   2HB   ASN  48          1HB       ASN  48   5.836   1.729  11.983
  295   1HD2  ASN  48           HD2      ASN  48   5.799  -1.889  10.697
  296   2HD2  ASN  48           HD2      ASN  48   4.548  -0.745  10.779
  297    H    ILE  49           H        ILE  49   4.732   3.086   8.240
  298    HA   ILE  49           HA       ILE  49   4.396   5.618   9.622
  299    HB   ILE  49           HB       ILE  49   5.184   6.540   7.715
  300   1HG1  ILE  49          2HG1      ILE  49   2.826   6.460   6.811
  301   2HG1  ILE  49          1HG1      ILE  49   4.084   6.417   5.578
  302   1HG2  ILE  49          2HG2      ILE  49   6.427   4.377   7.700
  303   2HG2  ILE  49          1HG2      ILE  49   5.218   3.731   6.590
  304   3HG2  ILE  49          3HG2      ILE  49   6.236   5.080   6.096
  305   1HD1  ILE  49           HD1      ILE  49   3.530   3.736   6.426
  306   2HD1  ILE  49           HD1      ILE  49   2.011   4.529   6.007
  307   3HD1  ILE  49           HD1      ILE  49   3.319   4.449   4.826
  308    H    ARG  50           H        ARG  50   2.326   3.389   7.868
  309    HA   ARG  50           HA       ARG  50   0.043   4.975   7.460
  310   1HB   ARG  50          2HB       ARG  50   0.235   2.083   8.365
  311   2HB   ARG  50          1HB       ARG  50  -1.259   2.848   7.823
  312   1HG   ARG  50          2HG       ARG  50  -0.269   3.312   5.636
  313   2HG   ARG  50          1HG       ARG  50   1.274   2.643   6.169
  314   1HD   ARG  50          2HD       ARG  50  -0.428   1.141   4.810
  315   2HD   ARG  50          1HD       ARG  50   0.491   0.455   6.151
  316    HE   ARG  50           HE       ARG  50  -2.314   1.446   6.485
  317   1HH1  ARG  50           HH2      ARG  50   0.298  -0.130   7.921
  318   2HH1  ARG  50           HH2      ARG  50  -0.631  -1.441   8.569
  319   1HH2  ARG  50           HH1      ARG  50  -3.549  -0.536   6.928
  320   2HH2  ARG  50           HH1      ARG  50  -2.807  -1.671   8.005
  321    H    SER  51           H        SER  51   1.004   3.179  10.396
  322    HA   SER  51           HA       SER  51  -1.189   4.097  12.000
  323   1HB   SER  51          2HB       SER  51   0.210   2.195  12.693
  324   2HB   SER  51          1HB       SER  51   1.609   3.256  12.827
  325    HG   SER  51           HG       SER  51   0.663   4.278  14.533
  326    H    HIS  52           H        HIS  52   2.067   5.353  11.387
  327    HA   HIS  52           HA       HIS  52   2.125   7.477  13.221
  328   1HB   HIS  52          2HB       HIS  52   4.116   7.588  12.102
  329   2HB   HIS  52          1HB       HIS  52   3.436   6.824  10.671
  330    HD1  HIS  52           HD1      HIS  52   4.964   9.877  11.602
  331    HD2  HIS  52           HD2      HIS  52   1.633   8.966   9.278
  332    HE1  HIS  52           HE1      HIS  52   4.467  11.938  10.212
  333    H    ILE  53           H        ILE  53   0.425   7.229  10.144
  334    HA   ILE  53           HA       ILE  53  -0.476   9.981  10.158
  335    HB   ILE  53           HB       ILE  53  -1.874   7.650   8.806
  336   1HG1  ILE  53          2HG1      ILE  53   0.545   9.174   7.789
  337   2HG1  ILE  53          1HG1      ILE  53   0.552   7.492   8.319
  338   1HG2  ILE  53          3HG2      ILE  53  -2.913   9.916   8.751
  339   2HG2  ILE  53          2HG2      ILE  53  -1.463  10.528   7.959
  340   3HG2  ILE  53          1HG2      ILE  53  -2.471   9.326   7.152
  341   1HD1  ILE  53           HD1      ILE  53  -1.412   8.343   6.218
  342   2HD1  ILE  53           HD1      ILE  53   0.269   8.070   5.757
  343   3HD1  ILE  53           HD1      ILE  53  -0.671   6.764   6.479
  344    H    GLN  54           H        GLN  54  -2.208   6.914  10.713
  345    HA   GLN  54           HA       GLN  54  -4.606   7.842  11.695
  346   1HB   GLN  54          2HB       GLN  54  -3.032   5.421  12.056
  347   2HB   GLN  54          1HB       GLN  54  -3.966   5.806  13.500
  348   1HG   GLN  54          2HG       GLN  54  -5.845   5.090  12.500
  349   2HG   GLN  54          1HG       GLN  54  -5.622   6.275  11.215
  350   1HE2  GLN  54          2HE2      GLN  54  -3.468   3.671   9.474
  351   2HE2  GLN  54          1HE2      GLN  54  -3.077   5.136  10.233
  352    H    THR  55           H        THR  55  -1.482   8.125  13.270
  353    HA   THR  55           HA       THR  55  -2.748   8.868  15.804
  354    HB   THR  55           HB       THR  55  -0.070   9.751  15.822
  355    HG1  THR  55           HG1      THR  55   0.840   7.635  15.117
  356   1HG2  THR  55          2HG2      THR  55  -1.560   8.424  17.506
  357   2HG2  THR  55          1HG2      THR  55  -0.899   6.999  16.702
  358   3HG2  THR  55          3HG2      THR  55   0.181   8.141  17.503
  359    H    HIS  56           H        HIS  56  -1.046  10.532  13.169
  360    HA   HIS  56           HA       HIS  56  -1.942  13.082  14.348
  361   1HB   HIS  56          2HB       HIS  56  -0.108  14.037  13.447
  362   2HB   HIS  56          1HB       HIS  56   0.483  12.394  13.421
  363    HD1  HIS  56           HD1      HIS  56  -1.128  14.949  11.095
  364    HD2  HIS  56           HD2      HIS  56   1.148  11.478  10.935
  365    HE1  HIS  56           HE1      HIS  56  -0.168  14.814   8.749
  366    H    LEU  57           H        LEU  57  -3.597  11.072  12.915
  367    HA   LEU  57           HA       LEU  57  -4.875  12.981  11.048
  368   1HB   LEU  57          2HB       LEU  57  -3.712  10.392  10.329
  369   2HB   LEU  57          1HB       LEU  57  -5.404  10.538   9.869
  370    HG   LEU  57           HG       LEU  57  -4.665  12.901   8.993
  371   1HD1  LEU  57           HD1      LEU  57  -2.123  11.501   9.589
  372   2HD1  LEU  57           HD1      LEU  57  -2.207  12.274   8.005
  373   3HD1  LEU  57           HD1      LEU  57  -2.456  13.229   9.467
  374   1HD2  LEU  57           HD2      LEU  57  -4.837  10.269   7.853
  375   2HD2  LEU  57           HD2      LEU  57  -5.180  11.820   7.085
  376   3HD2  LEU  57           HD2      LEU  57  -3.547  11.156   7.040
  377    H    GLU  58           H        GLU  58  -5.104  10.383  13.391
  378    HA   GLU  58           HA       GLU  58  -8.072  10.515  13.151
  379   1HB   GLU  58          2HB       GLU  58  -6.679   8.271  12.954
  380   2HB   GLU  58          1HB       GLU  58  -6.681   8.372  14.714
  381   1HG   GLU  58          2HG       GLU  58  -8.819   7.674  14.800
  382   2HG   GLU  58          1HG       GLU  58  -9.319   8.962  13.703
  383    H    ASP  59           H        ASP  59  -5.677   9.822  15.727
  384    HA   ASP  59           HA       ASP  59  -5.770  10.401  18.012
  385   1HB   ASP  59          2HB       ASP  59  -5.812  12.767  16.353
  386   2HB   ASP  59          1HB       ASP  59  -6.718  13.060  17.839
  387    H    ARG  60           H        ARG  60  -8.287   9.368  16.729
  388    HA   ARG  60           HA       ARG  60 -10.576  10.754  17.682
  389   1HB   ARG  60          2HB       ARG  60  -9.956   8.071  16.687
  390   2HB   ARG  60          1HB       ARG  60 -11.237   8.065  17.900
  391   1HG   ARG  60          2HG       ARG  60 -12.457   9.792  16.637
  392   2HG   ARG  60          1HG       ARG  60 -11.173   9.819  15.427
  393   1HD   ARG  60          2HD       ARG  60 -11.621   7.258  15.239
  394   2HD   ARG  60          1HD       ARG  60 -13.156   7.634  16.021
  395    HE   ARG  60           HE       ARG  60 -12.383   8.379  13.288
  396   1HH1  ARG  60           HH2      ARG  60 -13.469  10.750  14.956
  397   2HH1  ARG  60           HH2      ARG  60 -15.142  10.701  14.512
  398   1HH2  ARG  60           HH1      ARG  60 -14.961   7.514  13.157
  399   2HH2  ARG  60           HH1      ARG  60 -15.987   8.869  13.492
   
  No H/Q in entry =         399
  Start of MODEL    5
    1   1H    THR  14          1H        THR  14 -12.784  -0.923  12.864
    2   2H    THR  14          3H        THR  14 -14.457  -0.987  12.595
    3   3H    THR  14          2H        THR  14 -13.746  -1.996  13.763
    4    HA   THR  14           HA       THR  14 -13.186  -3.541  12.281
    5    HB   THR  14           HB       THR  14 -14.799  -1.875  10.331
    6    HG1  THR  14           HG1      THR  14 -15.917  -3.798  12.026
    7   1HG2  THR  14          3HG2      THR  14 -13.572  -4.059   9.672
    8   2HG2  THR  14          2HG2      THR  14 -14.781  -4.869  10.667
    9   3HG2  THR  14          1HG2      THR  14 -15.283  -3.921   9.267
   10    H    LEU  15           H        LEU  15 -13.087  -0.465  10.438
   11    HA   LEU  15           HA       LEU  15 -10.292  -0.508   9.974
   12   1HB   LEU  15          2HB       LEU  15 -10.645  -2.560   8.720
   13   2HB   LEU  15          1HB       LEU  15 -11.941  -1.810   7.789
   14    HG   LEU  15           HG       LEU  15 -10.263  -0.113   6.972
   15   1HD1  LEU  15           HD1      LEU  15  -8.704  -0.821   8.987
   16   2HD1  LEU  15           HD1      LEU  15  -8.117  -2.021   7.836
   17   3HD1  LEU  15           HD1      LEU  15  -7.996  -0.304   7.457
   18   1HD2  LEU  15           HD2      LEU  15 -10.434  -2.963   6.307
   19   2HD2  LEU  15           HD2      LEU  15 -10.435  -1.562   5.237
   20   3HD2  LEU  15           HD2      LEU  15  -8.908  -2.235   5.805
   21    HA   PRO  16           HA       PRO  16 -12.404   3.300   8.659
   22   1HB   PRO  16          2HB       PRO  16 -10.600   4.952   9.915
   23   2HB   PRO  16          1HB       PRO  16 -12.012   4.251  10.724
   24   1HG   PRO  16          2HG       PRO  16  -9.139   3.496  10.976
   25   2HG   PRO  16          1HG       PRO  16 -10.456   3.301  12.144
   26   1HD   PRO  16          2HD       PRO  16  -9.382   1.262  10.497
   27   2HD   PRO  16          1HD       PRO  16 -10.895   1.169  11.424
   28    H    ARG  17           H        ARG  17 -11.859   4.442   6.794
   29    HA   ARG  17           HA       ARG  17  -9.034   4.773   6.047
   30   1HB   ARG  17          2HB       ARG  17  -9.246   3.670   3.894
   31   2HB   ARG  17          1HB       ARG  17  -9.704   2.523   5.153
   32   1HG   ARG  17          2HG       ARG  17 -11.973   4.127   4.252
   33   2HG   ARG  17          1HG       ARG  17 -11.242   3.209   2.935
   34   1HD   ARG  17          2HD       ARG  17 -11.739   1.166   3.893
   35   2HD   ARG  17          1HD       ARG  17 -11.677   1.804   5.536
   36    HE   ARG  17           HE       ARG  17 -13.938   2.626   5.258
   37   1HH1  ARG  17           HH2      ARG  17 -13.714   3.164   2.272
   38   2HH1  ARG  17           HH2      ARG  17 -14.769   1.950   1.629
   39   1HH2  ARG  17           HH1      ARG  17 -14.846   0.092   4.557
   40   2HH2  ARG  17           HH1      ARG  17 -15.411   0.211   2.923
   41    H    GLY  18           H        GLY  18 -11.245   6.552   6.732
   42   1HA   GLY  18          2HA       GLY  18 -12.005   7.792   4.156
   43   2HA   GLY  18          1HA       GLY  18 -12.571   8.293   5.751
   44    H    SER  19           H        SER  19  -9.254   7.786   5.839
   45    HA   SER  19           HA       SER  19  -8.455  10.415   4.836
   46   1HB   SER  19          2HB       SER  19  -8.979   9.908   7.706
   47   2HB   SER  19          1HB       SER  19  -7.449  10.704   7.346
   48    HG   SER  19           HG       SER  19  -8.817  12.107   5.951
   49    H    ILE  20           H        ILE  20  -7.627   7.533   6.719
   50    HA   ILE  20           HA       ILE  20  -4.791   7.787   6.552
   51    HB   ILE  20           HB       ILE  20  -6.209   5.131   6.473
   52   1HG1  ILE  20          2HG1      ILE  20  -7.491   6.291   8.112
   53   2HG1  ILE  20          1HG1      ILE  20  -6.271   5.412   9.033
   54   1HG2  ILE  20          1HG2      ILE  20  -3.675   5.385   6.462
   55   2HG2  ILE  20          3HG2      ILE  20  -3.823   6.058   8.085
   56   3HG2  ILE  20          2HG2      ILE  20  -4.335   4.401   7.766
   57   1HD1  ILE  20           HD1      ILE  20  -4.845   7.502   8.952
   58   2HD1  ILE  20           HD1      ILE  20  -6.241   8.343   8.280
   59   3HD1  ILE  20           HD1      ILE  20  -6.324   7.654   9.902
   60    H    ASP  21           H        ASP  21  -6.936   5.722   4.596
   61    HA   ASP  21           HA       ASP  21  -4.898   5.180   2.625
   62   1HB   ASP  21          2HB       ASP  21  -7.907   4.855   2.622
   63   2HB   ASP  21          1HB       ASP  21  -6.905   4.400   1.244
   64    H    LYS  22           H        LYS  22  -6.968   7.847   3.202
   65    HA   LYS  22           HA       LYS  22  -6.805   8.799   0.403
   66   1HB   LYS  22          2HB       LYS  22  -8.901   9.075   1.789
   67   2HB   LYS  22          1HB       LYS  22  -8.005  10.204   2.807
   68   1HG   LYS  22          2HG       LYS  22  -7.745  10.768  -0.064
   69   2HG   LYS  22          1HG       LYS  22  -9.403  10.894   0.529
   70   1HD   LYS  22          2HD       LYS  22  -7.384  12.101   2.307
   71   2HD   LYS  22          1HD       LYS  22  -7.532  12.889   0.735
   72   1HE   LYS  22          2HE       LYS  22 -10.171  12.344   1.599
   73   2HE   LYS  22          1HE       LYS  22  -9.323  13.022   2.990
   74   1HZ   LYS  22          3HZ       LYS  22  -9.261  14.227   0.280
   75   2HZ   LYS  22          2HZ       LYS  22 -10.357  14.693   1.492
   76   3HZ   LYS  22          1HZ       LYS  22  -8.688  14.909   1.724
   77    H    TYR  23           H        TYR  23  -4.659   8.675   2.815
   78    HA   TYR  23           HA       TYR  23  -3.308  11.139   1.896
   79   1HB   TYR  23          2HB       TYR  23  -4.362  10.687   4.644
   80   2HB   TYR  23          1HB       TYR  23  -2.745  11.380   4.518
   81    HD1  TYR  23           HD2      TYR  23  -2.816  13.047   2.171
   82    HD2  TYR  23           HD1      TYR  23  -5.880  12.401   5.111
   83    HE1  TYR  23           HE2      TYR  23  -3.802  15.257   1.628
   84    HE2  TYR  23           HE1      TYR  23  -6.867  14.611   4.568
   85    HH   TYR  23           HH       TYR  23  -6.024  16.371   1.807
   86    H    VAL  24           H        VAL  24  -3.030   8.078   1.871
   87    HA   VAL  24           HA       VAL  24  -0.265   7.993   3.012
   88    HB   VAL  24           HB       VAL  24  -2.006   6.478   4.092
   89   1HG1  VAL  24          3HG1      VAL  24  -2.860   5.975   1.604
   90   2HG1  VAL  24          2HG1      VAL  24  -1.698   4.657   1.748
   91   3HG1  VAL  24          1HG1      VAL  24  -3.027   4.790   2.900
   92   1HG2  VAL  24          2HG2      VAL  24   0.571   6.125   3.924
   93   2HG2  VAL  24          1HG2      VAL  24  -0.428   4.754   4.403
   94   3HG2  VAL  24          3HG2      VAL  24   0.167   4.876   2.748
   95    H    LYS  25           H        LYS  25   1.238   7.952   1.416
   96    HA   LYS  25           HA       LYS  25   0.435   6.867  -1.245
   97   1HB   LYS  25          2HB       LYS  25   1.747   9.237  -0.528
   98   2HB   LYS  25          1HB       LYS  25   3.018   8.200  -1.176
   99   1HG   LYS  25          2HG       LYS  25   1.350   7.711  -3.101
  100   2HG   LYS  25          1HG       LYS  25   0.498   9.146  -2.532
  101   1HD   LYS  25          2HD       LYS  25   1.952  10.418  -3.684
  102   2HD   LYS  25          1HD       LYS  25   3.241   9.837  -2.628
  103   1HE   LYS  25          2HE       LYS  25   3.859   8.125  -4.111
  104   2HE   LYS  25          1HE       LYS  25   2.306   8.157  -4.945
  105   1HZ   LYS  25          3HZ       LYS  25   2.907  10.435  -5.707
  106   2HZ   LYS  25          2HZ       LYS  25   4.465  10.187  -5.076
  107   3HZ   LYS  25          1HZ       LYS  25   3.891   9.205  -6.338
  108    H    GLU  26           H        GLU  26   1.500   5.103  -2.082
  109    HA   GLU  26           HA       GLU  26   3.817   4.046  -0.510
  110   1HB   GLU  26          2HB       GLU  26   2.872   1.766  -1.454
  111   2HB   GLU  26          1HB       GLU  26   2.176   2.476   0.004
  112   1HG   GLU  26          2HG       GLU  26   1.051   3.296  -2.645
  113   2HG   GLU  26          1HG       GLU  26   0.621   1.707  -2.010
  114    H    MET  27           H        MET  27   5.549   4.433  -1.838
  115    HA   MET  27           HA       MET  27   5.263   4.352  -4.746
  116   1HB   MET  27          2HB       MET  27   7.827   4.513  -3.146
  117   2HB   MET  27          1HB       MET  27   7.566   5.034  -4.811
  118   1HG   MET  27          2HG       MET  27   5.631   6.459  -3.511
  119   2HG   MET  27          1HG       MET  27   6.895   6.408  -2.283
  120   1HE   MET  27          1HE       MET  27   5.832   7.119  -5.768
  121   2HE   MET  27          3HE       MET  27   5.589   8.667  -4.948
  122   3HE   MET  27          2HE       MET  27   6.752   8.537  -6.266
  123    HA   PRO  28           HA       PRO  28   6.150   0.017  -4.967
  124   1HB   PRO  28          2HB       PRO  28   6.430  -0.092  -7.706
  125   2HB   PRO  28          1HB       PRO  28   4.865  -0.049  -6.875
  126   1HG   PRO  28          2HG       PRO  28   6.275   2.139  -8.344
  127   2HG   PRO  28          1HG       PRO  28   4.538   1.882  -8.109
  128   1HD   PRO  28          2HD       PRO  28   6.102   3.729  -6.684
  129   2HD   PRO  28          1HD       PRO  28   4.503   3.138  -6.184
  130    H    ASP  29           H        ASP  29   8.250   2.578  -5.737
  131    HA   ASP  29           HA       ASP  29  10.478   0.835  -6.558
  132   1HB   ASP  29          2HB       ASP  29  11.722   2.838  -6.915
  133   2HB   ASP  29          1HB       ASP  29  10.087   3.210  -7.457
  134    H    LYS  30           H        LYS  30   9.023   1.088  -3.772
  135    HA   LYS  30           HA       LYS  30   9.746   0.422  -1.643
  136   1HB   LYS  30          2HB       LYS  30  12.541   1.113  -2.522
  137   2HB   LYS  30          1HB       LYS  30  12.070   0.097  -1.167
  138   1HG   LYS  30          2HG       LYS  30  10.812  -1.015  -3.433
  139   2HG   LYS  30          1HG       LYS  30  12.461  -0.639  -3.937
  140   1HD   LYS  30          2HD       LYS  30  13.373  -1.886  -2.057
  141   2HD   LYS  30          1HD       LYS  30  11.753  -2.170  -1.418
  142   1HE   LYS  30          2HE       LYS  30  11.380  -3.889  -2.842
  143   2HE   LYS  30          1HE       LYS  30  12.037  -2.999  -4.216
  144   1HZ   LYS  30          1HZ       LYS  30  13.753  -4.176  -2.109
  145   2HZ   LYS  30          3HZ       LYS  30  13.308  -5.031  -3.505
  146   3HZ   LYS  30          2HZ       LYS  30  14.218  -3.603  -3.640
  147    H    THR  31           H        THR  31   8.604   2.786  -1.936
  148    HA   THR  31           HA       THR  31  10.156   4.525  -0.119
  149    HB   THR  31           HB       THR  31   8.759   5.913  -2.334
  150    HG1  THR  31           HG1      THR  31  10.616   5.646  -3.650
  151   1HG2  THR  31          2HG2      THR  31  11.305   6.302  -0.753
  152   2HG2  THR  31          1HG2      THR  31  10.841   7.347  -2.096
  153   3HG2  THR  31          3HG2      THR  31   9.824   7.254  -0.658
  154    H    PHE  32           H        PHE  32   8.616   6.455   0.532
  155    HA   PHE  32           HA       PHE  32   5.757   5.781   0.407
  156   1HB   PHE  32          2HB       PHE  32   7.443   5.153   2.736
  157   2HB   PHE  32          1HB       PHE  32   6.026   6.128   3.131
  158    HD1  PHE  32           HD2      PHE  32   3.742   5.320   2.542
  159    HD2  PHE  32           HD1      PHE  32   7.229   2.869   2.016
  160    HE1  PHE  32           HE2      PHE  32   2.300   3.312   2.341
  161    HE2  PHE  32           HE1      PHE  32   5.787   0.861   1.817
  162    HZ   PHE  32           HZ       PHE  32   3.323   1.083   1.979
  163    H    GLU  33           H        GLU  33   4.440   7.584   1.068
  164    HA   GLU  33           HA       GLU  33   5.824  10.018   2.000
  165   1HB   GLU  33          2HB       GLU  33   5.851   9.787  -0.620
  166   2HB   GLU  33          1HB       GLU  33   4.162  10.276  -0.485
  167   1HG   GLU  33          2HG       GLU  33   4.688  12.385   0.299
  168   2HG   GLU  33          1HG       GLU  33   6.196  11.847   1.039
  169    H    CYS  34           H        CYS  34   4.524  10.614   3.651
  170    HA   CYS  34           HA       CYS  34   1.716   9.934   3.801
  171   1HB   CYS  34          2HB       CYS  34   3.291  10.346   5.754
  172   2HB   CYS  34          1HB       CYS  34   3.185  12.063   5.378
  173    H    LEU  35           H        LEU  35   0.326  10.876   2.361
  174    HA   LEU  35           HA       LEU  35   0.830  13.461   1.163
  175   1HB   LEU  35          2HB       LEU  35  -1.713  11.813   1.193
  176   2HB   LEU  35          1HB       LEU  35  -1.358  13.152   0.102
  177    HG   LEU  35           HG       LEU  35   0.706  11.038   0.196
  178   1HD1  LEU  35           HD1      LEU  35  -1.707   9.959   0.293
  179   2HD1  LEU  35           HD1      LEU  35  -1.753  10.422  -1.408
  180   3HD1  LEU  35           HD1      LEU  35  -0.497   9.330  -0.826
  181   1HD2  LEU  35           HD2      LEU  35  -0.778  12.467  -2.035
  182   2HD2  LEU  35           HD2      LEU  35   0.779  12.951  -1.362
  183   3HD2  LEU  35           HD2      LEU  35   0.634  11.432  -2.248
  184    H    PHE  36           H        PHE  36  -0.085  12.840   4.265
  185    HA   PHE  36           HA       PHE  36  -2.364  14.483   4.679
  186   1HB   PHE  36          2HB       PHE  36  -1.383  13.031   6.434
  187   2HB   PHE  36          1HB       PHE  36   0.009  14.109   6.529
  188    HD1  PHE  36           HD2      PHE  36  -0.340  16.526   7.214
  189    HD2  PHE  36           HD1      PHE  36  -3.424  13.557   7.518
  190    HE1  PHE  36           HE2      PHE  36  -1.592  17.988   8.779
  191    HE2  PHE  36           HE1      PHE  36  -4.678  15.017   9.085
  192    HZ   PHE  36           HZ       PHE  36  -3.760  17.234   9.714
  193    HA   PRO  37           HA       PRO  37  -0.672  18.455   3.774
  194   1HB   PRO  37          2HB       PRO  37  -2.697  19.951   4.892
  195   2HB   PRO  37          1HB       PRO  37  -2.829  19.143   3.320
  196   1HG   PRO  37          2HG       PRO  37  -4.035  18.367   5.938
  197   2HG   PRO  37          1HG       PRO  37  -4.610  18.037   4.296
  198   1HD   PRO  37          2HD       PRO  37  -3.277  16.195   5.964
  199   2HD   PRO  37          1HD       PRO  37  -3.514  16.021   4.213
  200    H    GLY  38           H        GLY  38   1.085  19.017   4.970
  201   1HA   GLY  38          2HA       GLY  38   1.828  20.540   6.801
  202   2HA   GLY  38          1HA       GLY  38   0.648  19.734   7.841
  203    H    CYS  39           H        CYS  39   1.393  17.141   6.391
  204    HA   CYS  39           HA       CYS  39   3.375  16.265   8.317
  205   1HB   CYS  39          2HB       CYS  39   1.561  14.840   7.238
  206   2HB   CYS  39          1HB       CYS  39   2.552  14.832   5.783
  207    H    THR  40           H        THR  40   5.467  15.203   7.562
  208    HA   THR  40           HA       THR  40   6.594  15.995   5.015
  209    HB   THR  40           HB       THR  40   8.285  17.244   7.010
  210    HG1  THR  40           HG1      THR  40   6.806  18.988   7.396
  211   1HG2  THR  40          3HG2      THR  40   7.415  17.585   4.309
  212   2HG2  THR  40          2HG2      THR  40   7.146  19.100   5.171
  213   3HG2  THR  40          1HG2      THR  40   8.756  18.382   5.133
  214    H    LYS  41           H        LYS  41   6.290  13.621   6.762
  215    HA   LYS  41           HA       LYS  41   9.194  12.969   7.094
  216   1HB   LYS  41          2HB       LYS  41   6.812  11.959   8.678
  217   2HB   LYS  41          1HB       LYS  41   8.456  11.339   8.842
  218   1HG   LYS  41          2HG       LYS  41   9.041  13.063  10.167
  219   2HG   LYS  41          1HG       LYS  41   8.448  14.231   8.985
  220   1HD   LYS  41          2HD       LYS  41   6.369  12.758  10.507
  221   2HD   LYS  41          1HD       LYS  41   7.329  13.915  11.430
  222   1HE   LYS  41          2HE       LYS  41   6.807  15.363   9.174
  223   2HE   LYS  41          1HE       LYS  41   5.338  14.395   9.300
  224   1HZ   LYS  41          2HZ       LYS  41   5.418  15.096  11.759
  225   2HZ   LYS  41          1HZ       LYS  41   6.447  16.336  11.218
  226   3HZ   LYS  41          3HZ       LYS  41   4.868  16.219  10.608
  227    H    THR  42           H        THR  42   8.815  12.411   4.697
  228    HA   THR  42           HA       THR  42   7.166  10.175   3.976
  229    HB   THR  42           HB       THR  42   8.217  10.262   1.885
  230    HG1  THR  42           HG1      THR  42  10.333  10.840   1.622
  231   1HG2  THR  42          3HG2      THR  42   7.267  12.510   2.804
  232   2HG2  THR  42          2HG2      THR  42   8.957  13.012   2.846
  233   3HG2  THR  42          1HG2      THR  42   8.217  12.534   1.317
  234    H    PHE  43           H        PHE  43   7.821   7.964   3.610
  235    HA   PHE  43           HA       PHE  43  10.319   7.195   5.066
  236   1HB   PHE  43          2HB       PHE  43   7.962   5.349   4.992
  237   2HB   PHE  43          1HB       PHE  43   9.221   5.507   6.218
  238    HD1  PHE  43           HD1      PHE  43   6.376   7.419   4.692
  239    HD2  PHE  43           HD2      PHE  43   8.774   6.704   8.185
  240    HE1  PHE  43           HE1      PHE  43   4.901   8.914   6.010
  241    HE2  PHE  43           HE2      PHE  43   7.298   8.199   9.503
  242    HZ   PHE  43           HZ       PHE  43   5.362   9.304   8.416
  243    H    LYS  44           H        LYS  44   9.870   4.364   4.419
  244    HA   LYS  44           HA       LYS  44   9.573   4.044   1.575
  245   1HB   LYS  44          2HB       LYS  44  11.861   3.783   0.891
  246   2HB   LYS  44          1HB       LYS  44  11.759   5.333   1.729
  247   1HG   LYS  44          2HG       LYS  44  12.268   3.554   3.788
  248   2HG   LYS  44          1HG       LYS  44  13.242   2.913   2.464
  249   1HD   LYS  44          2HD       LYS  44  14.260   5.132   2.128
  250   2HD   LYS  44          1HD       LYS  44  13.279   5.785   3.439
  251   1HE   LYS  44          2HE       LYS  44  14.356   3.788   4.807
  252   2HE   LYS  44          1HE       LYS  44  15.608   3.904   3.569
  253   1HZ   LYS  44          2HZ       LYS  44  15.170   6.486   4.237
  254   2HZ   LYS  44          1HZ       LYS  44  14.998   5.696   5.731
  255   3HZ   LYS  44          3HZ       LYS  44  16.431   5.520   4.842
  256    H    ARG  45           H        ARG  45   9.361   1.879   1.112
  257    HA   ARG  45           HA       ARG  45   8.968  -0.378   1.684
  258   1HB   ARG  45          2HB       ARG  45  11.431  -0.218   1.087
  259   2HB   ARG  45          1HB       ARG  45  11.766  -0.143   2.818
  260   1HG   ARG  45          2HG       ARG  45  10.345  -2.296   2.991
  261   2HG   ARG  45          1HG       ARG  45  10.547  -2.410   1.242
  262   1HD   ARG  45          2HD       ARG  45  12.854  -2.128   3.185
  263   2HD   ARG  45          1HD       ARG  45  12.287  -3.674   2.552
  264    HE   ARG  45           HE       ARG  45  13.096  -1.567   0.616
  265   1HH1  ARG  45           HH2      ARG  45  12.680  -4.824   1.002
  266   2HH1  ARG  45           HH2      ARG  45  14.223  -5.301   0.374
  267   1HH2  ARG  45           HH1      ARG  45  15.486  -2.072   0.301
  268   2HH2  ARG  45           HH1      ARG  45  15.811  -3.741  -0.024
  269    H    ARG  46           H        ARG  46   7.508   0.727   3.472
  270    HA   ARG  46           HA       ARG  46   7.972  -0.767   5.924
  271   1HB   ARG  46          2HB       ARG  46   8.774   2.049   5.749
  272   2HB   ARG  46          1HB       ARG  46   7.637   1.737   7.060
  273   1HG   ARG  46          2HG       ARG  46   9.064  -0.019   7.950
  274   2HG   ARG  46          1HG       ARG  46  10.160   0.128   6.576
  275   1HD   ARG  46          2HD       ARG  46  10.741   2.406   7.234
  276   2HD   ARG  46          1HD       ARG  46   9.572   2.351   8.554
  277    HE   ARG  46           HE       ARG  46  11.355   1.426   9.779
  278   1HH1  ARG  46           HH2      ARG  46  11.973   0.901   6.482
  279   2HH1  ARG  46           HH2      ARG  46  12.994  -0.477   6.731
  280   1HH2  ARG  46           HH1      ARG  46  12.397  -0.632  10.143
  281   2HH2  ARG  46           HH1      ARG  46  13.235  -1.344   8.805
  282    H    TYR  47           H        TYR  47   6.054  -0.921   7.151
  283    HA   TYR  47           HA       TYR  47   3.676   0.437   5.956
  284   1HB   TYR  47          2HB       TYR  47   2.842  -1.813   7.479
  285   2HB   TYR  47          1HB       TYR  47   2.750  -1.613   5.731
  286    HD1  TYR  47           HD1      TYR  47   4.714  -2.998   8.524
  287    HD2  TYR  47           HD2      TYR  47   4.436  -2.564   4.261
  288    HE1  TYR  47           HE1      TYR  47   6.446  -4.751   8.232
  289    HE2  TYR  47           HE2      TYR  47   6.170  -4.317   3.967
  290    HH   TYR  47           HH       TYR  47   7.898  -5.403   5.138
  291    H    ASN  48           H        ASN  48   5.631   0.921   8.358
  292    HA   ASN  48           HA       ASN  48   3.676   0.885  10.557
  293   1HB   ASN  48          2HB       ASN  48   6.621   1.504  10.363
  294   2HB   ASN  48          1HB       ASN  48   5.697   1.956  11.796
  295   1HD2  ASN  48           HD2      ASN  48   6.436  -2.004  11.041
  296   2HD2  ASN  48           HD2      ASN  48   6.697  -0.850   9.823
  297    H    ILE  49           H        ILE  49   4.900   2.971   8.146
  298    HA   ILE  49           HA       ILE  49   4.476   5.480   9.488
  299    HB   ILE  49           HB       ILE  49   5.181   6.437   7.552
  300   1HG1  ILE  49          2HG1      ILE  49   2.890   6.148   6.563
  301   2HG1  ILE  49          1HG1      ILE  49   4.190   6.083   5.374
  302   1HG2  ILE  49          2HG2      ILE  49   6.568   4.342   7.711
  303   2HG2  ILE  49          1HG2      ILE  49   5.486   3.607   6.527
  304   3HG2  ILE  49          3HG2      ILE  49   6.449   5.013   6.085
  305   1HD1  ILE  49           HD1      ILE  49   3.734   3.448   6.428
  306   2HD1  ILE  49           HD1      ILE  49   2.206   4.125   5.865
  307   3HD1  ILE  49           HD1      ILE  49   3.579   4.011   4.765
  308    H    ARG  50           H        ARG  50   2.418   3.223   7.766
  309    HA   ARG  50           HA       ARG  50   0.129   4.852   7.372
  310   1HB   ARG  50          2HB       ARG  50   0.481   2.426   6.622
  311   2HB   ARG  50          1HB       ARG  50   0.027   1.958   8.261
  312   1HG   ARG  50          2HG       ARG  50  -2.161   2.290   7.832
  313   2HG   ARG  50          1HG       ARG  50  -1.846   3.894   7.170
  314   1HD   ARG  50          2HD       ARG  50  -1.929   3.145   5.036
  315   2HD   ARG  50          1HD       ARG  50  -0.934   1.738   5.408
  316    HE   ARG  50           HE       ARG  50  -3.864   1.821   5.402
  317   1HH1  ARG  50           HH2      ARG  50  -1.109   0.417   6.904
  318   2HH1  ARG  50           HH2      ARG  50  -1.805  -1.166   7.016
  319   1HH2  ARG  50           HH1      ARG  50  -4.725  -0.291   5.366
  320   2HH2  ARG  50           HH1      ARG  50  -3.849  -1.567   6.145
  321    H    SER  51           H        SER  51   1.239   3.052  10.226
  322    HA   SER  51           HA       SER  51  -1.039   3.795  11.859
  323   1HB   SER  51          2HB       SER  51   0.373   1.850  12.424
  324   2HB   SER  51          1HB       SER  51   1.757   2.915  12.656
  325    HG   SER  51           HG       SER  51  -0.675   3.277  14.050
  326    H    HIS  52           H        HIS  52   2.001   5.251  10.973
  327    HA   HIS  52           HA       HIS  52   2.184   7.193  13.064
  328   1HB   HIS  52          2HB       HIS  52   4.153   7.362  11.923
  329   2HB   HIS  52          1HB       HIS  52   3.447   6.678  10.466
  330    HD1  HIS  52           HD1      HIS  52   4.902   9.717  11.649
  331    HD2  HIS  52           HD2      HIS  52   1.716   8.838   9.107
  332    HE1  HIS  52           HE1      HIS  52   4.399  11.841  10.364
  333    H    ILE  53           H        ILE  53   0.503   7.229   9.944
  334    HA   ILE  53           HA       ILE  53  -0.395   9.965  10.287
  335    HB   ILE  53           HB       ILE  53  -2.301   8.526   8.700
  336   1HG1  ILE  53          2HG1      ILE  53   0.584   7.961   7.939
  337   2HG1  ILE  53          1HG1      ILE  53  -0.571   6.756   8.503
  338   1HG2  ILE  53          2HG2      ILE  53  -0.172  10.591   8.307
  339   2HG2  ILE  53          1HG2      ILE  53  -0.962   9.896   6.890
  340   3HG2  ILE  53          3HG2      ILE  53  -1.919  10.732   8.114
  341   1HD1  ILE  53           HD1      ILE  53  -1.813   8.228   6.397
  342   2HD1  ILE  53           HD1      ILE  53  -0.211   7.741   5.844
  343   3HD1  ILE  53           HD1      ILE  53  -1.356   6.525   6.409
  344    H    GLN  54           H        GLN  54  -1.860   6.789  10.890
  345    HA   GLN  54           HA       GLN  54  -4.389   7.580  11.719
  346   1HB   GLN  54          2HB       GLN  54  -2.648   5.300  12.227
  347   2HB   GLN  54          1HB       GLN  54  -3.671   5.662  13.618
  348   1HG   GLN  54          2HG       GLN  54  -5.305   4.542  12.532
  349   2HG   GLN  54          1HG       GLN  54  -5.399   5.941  11.461
  350   1HE2  GLN  54          2HE2      GLN  54  -3.060   4.268   9.090
  351   2HE2  GLN  54          1HE2      GLN  54  -3.073   5.728   9.955
  352    H    THR  55           H        THR  55  -1.352   8.044  13.479
  353    HA   THR  55           HA       THR  55  -2.864   8.885  15.848
  354    HB   THR  55           HB       THR  55  -0.750   7.885  16.358
  355    HG1  THR  55           HG1      THR  55  -0.346   9.376  17.754
  356   1HG2  THR  55          1HG2      THR  55   0.405   9.866  14.380
  357   2HG2  THR  55          3HG2      THR  55   1.376   8.847  15.442
  358   3HG2  THR  55          2HG2      THR  55   0.350   8.112  14.211
  359    H    HIS  56           H        HIS  56  -0.973  10.472  13.295
  360    HA   HIS  56           HA       HIS  56  -1.990  13.053  14.313
  361   1HB   HIS  56          2HB       HIS  56  -0.084  13.985  13.563
  362   2HB   HIS  56          1HB       HIS  56   0.515  12.344  13.519
  363    HD1  HIS  56           HD1      HIS  56  -0.843  15.055  11.245
  364    HD2  HIS  56           HD2      HIS  56   1.085  11.378  10.967
  365    HE1  HIS  56           HE1      HIS  56   0.160  14.937   8.912
  366    H    LEU  57           H        LEU  57  -3.534  10.978  12.884
  367    HA   LEU  57           HA       LEU  57  -4.658  12.756  10.816
  368   1HB   LEU  57          2HB       LEU  57  -3.063  11.078   9.764
  369   2HB   LEU  57          1HB       LEU  57  -4.165   9.815  10.305
  370    HG   LEU  57           HG       LEU  57  -5.898  10.551   8.881
  371   1HD1  LEU  57           HD1      LEU  57  -4.428  13.139   9.032
  372   2HD1  LEU  57           HD1      LEU  57  -5.301  12.805   7.538
  373   3HD1  LEU  57           HD1      LEU  57  -6.163  12.830   9.077
  374   1HD2  LEU  57           HD2      LEU  57  -3.516   9.788   7.845
  375   2HD2  LEU  57           HD2      LEU  57  -4.928  10.127   6.845
  376   3HD2  LEU  57           HD2      LEU  57  -3.686  11.360   7.064
  377    H    GLU  58           H        GLU  58  -5.056  10.251  13.232
  378    HA   GLU  58           HA       GLU  58  -7.743   9.490  12.550
  379   1HB   GLU  58          2HB       GLU  58  -7.867   8.721  14.920
  380   2HB   GLU  58          1HB       GLU  58  -6.410   8.154  14.104
  381   1HG   GLU  58          2HG       GLU  58  -5.347   8.999  15.933
  382   2HG   GLU  58          1HG       GLU  58  -5.540  10.540  15.096
  383    H    ASP  59           H        ASP  59  -6.416  12.358  13.919
  384    HA   ASP  59           HA       ASP  59  -9.140  13.462  14.199
  385   1HB   ASP  59          2HB       ASP  59  -8.642  14.361  16.469
  386   2HB   ASP  59          1HB       ASP  59  -8.693  12.599  16.446
  387    H    ARG  60           H        ARG  60  -7.528  14.185  12.195
  388    HA   ARG  60           HA       ARG  60  -6.593  16.093  11.193
  389   1HB   ARG  60          2HB       ARG  60  -8.125  17.060  13.415
  390   2HB   ARG  60          1HB       ARG  60  -6.624  17.983  13.327
  391   1HG   ARG  60          2HG       ARG  60  -7.398  17.780  10.669
  392   2HG   ARG  60          1HG       ARG  60  -8.926  18.007  11.521
  393   1HD   ARG  60          2HD       ARG  60  -8.262  20.073  12.422
  394   2HD   ARG  60          1HD       ARG  60  -6.549  19.739  12.167
  395    HE   ARG  60           HE       ARG  60  -7.439  19.801   9.608
  396   1HH1  ARG  60           HH2      ARG  60  -6.978  22.024  12.095
  397   2HH1  ARG  60           HH2      ARG  60  -7.704  23.360  11.267
  398   1HH2  ARG  60           HH1      ARG  60  -8.854  21.438   8.619
  399   2HH2  ARG  60           HH1      ARG  60  -8.766  23.029   9.298
   
  No H/Q in entry =         399
  Start of MODEL    6
    1   1H    THR  14          1H        THR  14 -15.077   9.124  12.901
    2   2H    THR  14          3H        THR  14 -14.816  10.754  12.513
    3   3H    THR  14          2H        THR  14 -16.250  10.287  13.296
    4    HA   THR  14           HA       THR  14 -17.215  10.121  11.324
    5    HB   THR  14           HB       THR  14 -15.825  10.345   9.228
    6    HG1  THR  14           HG1      THR  14 -13.895   9.528   9.750
    7   1HG2  THR  14          1HG2      THR  14 -15.900  12.264  11.492
    8   2HG2  THR  14          3HG2      THR  14 -14.780  12.646  10.184
    9   3HG2  THR  14          2HG2      THR  14 -16.498  12.443   9.842
   10    H    LEU  15           H        LEU  15 -16.804   8.656   9.071
   11    HA   LEU  15           HA       LEU  15 -17.048   5.950  10.005
   12   1HB   LEU  15          2HB       LEU  15 -16.936   5.393   7.535
   13   2HB   LEU  15          1HB       LEU  15 -18.172   6.574   7.968
   14    HG   LEU  15           HG       LEU  15 -15.880   8.109   7.518
   15   1HD1  LEU  15           HD1      LEU  15 -14.893   6.042   6.474
   16   2HD1  LEU  15           HD1      LEU  15 -16.202   6.075   5.293
   17   3HD1  LEU  15           HD1      LEU  15 -15.041   7.401   5.358
   18   1HD2  LEU  15           HD2      LEU  15 -18.406   8.347   6.877
   19   2HD2  LEU  15           HD2      LEU  15 -17.193   9.102   5.843
   20   3HD2  LEU  15           HD2      LEU  15 -17.922   7.565   5.372
   21    HA   PRO  16           HA       PRO  16 -12.810   4.771  10.072
   22   1HB   PRO  16          2HB       PRO  16 -13.185   2.050   9.958
   23   2HB   PRO  16          1HB       PRO  16 -13.472   3.017  11.415
   24   1HG   PRO  16          2HG       PRO  16 -15.455   1.805   9.545
   25   2HG   PRO  16          1HG       PRO  16 -15.631   2.208  11.261
   26   1HD   PRO  16          2HD       PRO  16 -16.633   3.724   9.089
   27   2HD   PRO  16          1HD       PRO  16 -16.511   4.270  10.776
   28    H    ARG  17           H        ARG  17 -11.169   4.041   8.621
   29    HA   ARG  17           HA       ARG  17 -10.230   3.424   6.555
   30   1HB   ARG  17          2HB       ARG  17 -12.243   1.623   6.912
   31   2HB   ARG  17          1HB       ARG  17 -12.772   2.410   5.424
   32   1HG   ARG  17          2HG       ARG  17 -10.039   1.184   5.901
   33   2HG   ARG  17          1HG       ARG  17 -11.324   0.485   4.914
   34   1HD   ARG  17          2HD       ARG  17 -10.218   3.246   4.380
   35   2HD   ARG  17          1HD       ARG  17  -9.512   1.799   3.660
   36    HE   ARG  17           HE       ARG  17 -11.887   3.080   2.739
   37   1HH1  ARG  17           HH2      ARG  17 -10.004   0.521   2.015
   38   2HH1  ARG  17           HH2      ARG  17 -11.271  -0.570   1.564
   39   1HH2  ARG  17           HH1      ARG  17 -13.807   1.439   2.809
   40   2HH2  ARG  17           HH1      ARG  17 -13.424  -0.051   2.013
   41    H    GLY  18           H        GLY  18 -10.672   5.985   6.620
   42   1HA   GLY  18          2HA       GLY  18 -11.422   6.704   3.921
   43   2HA   GLY  18          1HA       GLY  18 -12.639   7.236   5.082
   44    H    SER  19           H        SER  19  -9.091   7.081   5.400
   45    HA   SER  19           HA       SER  19  -8.783   9.962   5.214
   46   1HB   SER  19          2HB       SER  19  -9.841   9.444   7.543
   47   2HB   SER  19          1HB       SER  19  -8.240   8.835   7.953
   48    HG   SER  19           HG       SER  19  -8.321  11.007   8.461
   49    H    ILE  20           H        ILE  20  -7.471   6.858   6.286
   50    HA   ILE  20           HA       ILE  20  -4.707   7.738   6.199
   51    HB   ILE  20           HB       ILE  20  -5.500   4.864   5.863
   52   1HG1  ILE  20          2HG1      ILE  20  -7.079   5.520   7.529
   53   2HG1  ILE  20          1HG1      ILE  20  -5.718   4.843   8.422
   54   1HG2  ILE  20          2HG2      ILE  20  -3.101   5.869   6.074
   55   2HG2  ILE  20          1HG2      ILE  20  -3.504   6.048   7.781
   56   3HG2  ILE  20          3HG2      ILE  20  -3.510   4.448   7.037
   57   1HD1  ILE  20           HD1      ILE  20  -5.055   7.538   8.098
   58   2HD1  ILE  20           HD1      ILE  20  -6.780   7.554   8.466
   59   3HD1  ILE  20           HD1      ILE  20  -5.649   6.780   9.575
   60    H    ASP  21           H        ASP  21  -6.792   5.878   4.005
   61    HA   ASP  21           HA       ASP  21  -4.764   5.557   1.974
   62   1HB   ASP  21          2HB       ASP  21  -7.718   5.596   1.386
   63   2HB   ASP  21          1HB       ASP  21  -6.460   4.593   0.662
   64    H    LYS  22           H        LYS  22  -6.443   8.264   3.041
   65    HA   LYS  22           HA       LYS  22  -6.548   9.580   0.396
   66   1HB   LYS  22          2HB       LYS  22  -8.329   9.882   2.196
   67   2HB   LYS  22          1HB       LYS  22  -7.130  10.804   3.104
   68   1HG   LYS  22          2HG       LYS  22  -8.269  12.470   1.899
   69   2HG   LYS  22          1HG       LYS  22  -6.847  12.164   0.901
   70   1HD   LYS  22          2HD       LYS  22  -8.080  11.306  -0.796
   71   2HD   LYS  22          1HD       LYS  22  -9.105  10.381   0.303
   72   1HE   LYS  22          2HE       LYS  22 -10.518  12.244   0.727
   73   2HE   LYS  22          1HE       LYS  22  -9.359  13.379   0.035
   74   1HZ   LYS  22          1HZ       LYS  22  -9.689  12.235  -2.122
   75   2HZ   LYS  22          3HZ       LYS  22 -10.935  11.326  -1.415
   76   3HZ   LYS  22          2HZ       LYS  22 -11.084  13.014  -1.544
   77    H    TYR  23           H        TYR  23  -4.170   8.950   2.604
   78    HA   TYR  23           HA       TYR  23  -2.509  11.130   1.550
   79   1HB   TYR  23          2HB       TYR  23  -3.165  10.885   4.498
   80   2HB   TYR  23          1HB       TYR  23  -1.819  11.839   3.871
   81    HD1  TYR  23           HD2      TYR  23  -2.564  13.368   1.740
   82    HD2  TYR  23           HD1      TYR  23  -5.123  12.060   4.931
   83    HE1  TYR  23           HE2      TYR  23  -4.112  15.247   1.267
   84    HE2  TYR  23           HE1      TYR  23  -6.672  13.939   4.458
   85    HH   TYR  23           HH       TYR  23  -5.841  16.479   2.194
   86    H    VAL  24           H        VAL  24  -2.383   8.304   1.236
   87    HA   VAL  24           HA       VAL  24   0.160   7.737   2.704
   88    HB   VAL  24           HB       VAL  24  -2.147   5.879   2.083
   89   1HG1  VAL  24          3HG1      VAL  24   0.754   5.321   2.383
   90   2HG1  VAL  24          2HG1      VAL  24  -0.328   4.284   3.312
   91   3HG1  VAL  24          1HG1      VAL  24  -0.492   4.385   1.558
   92   1HG2  VAL  24          1HG2      VAL  24  -1.982   7.285   4.242
   93   2HG2  VAL  24          3HG2      VAL  24  -2.226   5.548   4.434
   94   3HG2  VAL  24          2HG2      VAL  24  -0.622   6.245   4.666
   95    H    LYS  25           H        LYS  25   1.501   8.344   0.972
   96    HA   LYS  25           HA       LYS  25   0.978   7.259  -1.716
   97   1HB   LYS  25          2HB       LYS  25   2.026   9.574  -1.133
   98   2HB   LYS  25          1HB       LYS  25   3.513   8.659  -0.882
   99   1HG   LYS  25          2HG       LYS  25   3.862   8.634  -3.103
  100   2HG   LYS  25          1HG       LYS  25   2.354   7.745  -3.318
  101   1HD   LYS  25          2HD       LYS  25   1.091   9.828  -3.428
  102   2HD   LYS  25          1HD       LYS  25   2.546  10.761  -3.080
  103   1HE   LYS  25          2HE       LYS  25   3.468   9.437  -5.202
  104   2HE   LYS  25          1HE       LYS  25   1.750   9.356  -5.596
  105   1HZ   LYS  25          2HZ       LYS  25   2.892  11.923  -4.749
  106   2HZ   LYS  25          1HZ       LYS  25   3.186  11.384  -6.333
  107   3HZ   LYS  25          3HZ       LYS  25   1.592  11.612  -5.799
  108    H    GLU  26           H        GLU  26   1.483   5.138  -2.025
  109    HA   GLU  26           HA       GLU  26   3.952   4.091  -0.699
  110   1HB   GLU  26          2HB       GLU  26   1.881   2.250  -1.824
  111   2HB   GLU  26          1HB       GLU  26   2.919   2.039  -0.414
  112   1HG   GLU  26          2HG       GLU  26   1.593   3.720   0.814
  113   2HG   GLU  26          1HG       GLU  26   0.554   3.930  -0.593
  114    H    MET  27           H        MET  27   5.606   3.956  -2.138
  115    HA   MET  27           HA       MET  27   4.951   3.503  -5.004
  116   1HB   MET  27          2HB       MET  27   7.084   4.908  -3.550
  117   2HB   MET  27          1HB       MET  27   7.673   3.918  -4.886
  118   1HG   MET  27          2HG       MET  27   7.163   5.805  -6.090
  119   2HG   MET  27          1HG       MET  27   5.564   5.062  -6.106
  120   1HE   MET  27          3HE       MET  27   3.946   5.238  -4.700
  121   2HE   MET  27          2HE       MET  27   3.735   6.283  -3.297
  122   3HE   MET  27          1HE       MET  27   3.289   6.868  -4.898
  123    HA   PRO  28           HA       PRO  28   6.286  -0.674  -4.639
  124   1HB   PRO  28          2HB       PRO  28   6.675  -1.153  -7.323
  125   2HB   PRO  28          1HB       PRO  28   5.081  -1.113  -6.548
  126   1HG   PRO  28          2HG       PRO  28   6.384   0.947  -8.281
  127   2HG   PRO  28          1HG       PRO  28   4.662   0.588  -8.065
  128   1HD   PRO  28          2HD       PRO  28   6.017   2.741  -6.880
  129   2HD   PRO  28          1HD       PRO  28   4.455   2.092  -6.336
  130    H    ASP  29           H        ASP  29   8.231   1.893  -5.749
  131    HA   ASP  29           HA       ASP  29  10.593   0.231  -6.276
  132   1HB   ASP  29          2HB       ASP  29  11.710   2.249  -6.832
  133   2HB   ASP  29          1HB       ASP  29  10.059   2.493  -7.401
  134    H    LYS  30           H        LYS  30   8.999   0.759  -3.566
  135    HA   LYS  30           HA       LYS  30   9.654   0.338  -1.358
  136   1HB   LYS  30          2HB       LYS  30  12.466   0.994  -2.207
  137   2HB   LYS  30          1HB       LYS  30  11.963   0.120  -0.766
  138   1HG   LYS  30          2HG       LYS  30  10.839  -1.212  -3.023
  139   2HG   LYS  30          1HG       LYS  30  12.547  -0.932  -3.365
  140   1HD   LYS  30          2HD       LYS  30  12.808  -2.859  -2.157
  141   2HD   LYS  30          1HD       LYS  30  12.726  -1.746  -0.790
  142   1HE   LYS  30          2HE       LYS  30  10.791  -2.655  -0.084
  143   2HE   LYS  30          1HE       LYS  30  10.063  -2.462  -1.678
  144   1HZ   LYS  30          3HZ       LYS  30  11.813  -4.496  -2.035
  145   2HZ   LYS  30          2HZ       LYS  30  11.226  -4.790  -0.468
  146   3HZ   LYS  30          1HZ       LYS  30  10.147  -4.671  -1.773
  147    H    THR  31           H        THR  31   8.430   2.584  -1.780
  148    HA   THR  31           HA       THR  31  10.004   4.568  -0.248
  149    HB   THR  31           HB       THR  31   8.409   5.663  -2.488
  150    HG1  THR  31           HG1      THR  31  10.306   5.359  -3.837
  151   1HG2  THR  31          3HG2      THR  31  10.074   6.707  -0.605
  152   2HG2  THR  31          2HG2      THR  31  11.190   6.501  -1.955
  153   3HG2  THR  31          1HG2      THR  31   9.737   7.482  -2.153
  154    H    PHE  32           H        PHE  32   8.465   6.491   0.324
  155    HA   PHE  32           HA       PHE  32   5.616   5.874   0.415
  156   1HB   PHE  32          2HB       PHE  32   7.401   5.272   2.711
  157   2HB   PHE  32          1HB       PHE  32   5.917   6.144   3.098
  158    HD1  PHE  32           HD2      PHE  32   3.698   5.170   2.523
  159    HD2  PHE  32           HD1      PHE  32   7.355   2.981   1.975
  160    HE1  PHE  32           HE2      PHE  32   2.409   3.059   2.336
  161    HE2  PHE  32           HE1      PHE  32   6.064   0.872   1.785
  162    HZ   PHE  32           HZ       PHE  32   3.591   0.912   1.965
  163    H    GLU  33           H        GLU  33   4.408   7.750   1.100
  164    HA   GLU  33           HA       GLU  33   5.910  10.079   2.089
  165   1HB   GLU  33          2HB       GLU  33   6.049   9.913  -0.523
  166   2HB   GLU  33          1HB       GLU  33   4.380  10.482  -0.465
  167   1HG   GLU  33          2HG       GLU  33   5.464  12.236   1.255
  168   2HG   GLU  33          1HG       GLU  33   6.893  11.903   0.275
  169    H    CYS  34           H        CYS  34   4.547  10.452   3.792
  170    HA   CYS  34           HA       CYS  34   1.709  10.072   3.780
  171   1HB   CYS  34          2HB       CYS  34   3.217  10.313   5.807
  172   2HB   CYS  34          1HB       CYS  34   3.279  12.041   5.471
  173    H    LEU  35           H        LEU  35   0.537  11.130   2.196
  174    HA   LEU  35           HA       LEU  35   1.257  13.798   1.288
  175   1HB   LEU  35          2HB       LEU  35  -1.340  12.340   0.767
  176   2HB   LEU  35          1HB       LEU  35  -0.597  13.604  -0.213
  177    HG   LEU  35           HG       LEU  35   1.389  11.652   0.016
  178   1HD1  LEU  35           HD1      LEU  35  -1.303  10.472   0.185
  179   2HD1  LEU  35           HD1      LEU  35  -0.319   9.817  -1.124
  180   3HD1  LEU  35           HD1      LEU  35   0.266   9.749   0.539
  181   1HD2  LEU  35           HD2      LEU  35  -0.359  12.826  -2.027
  182   2HD2  LEU  35           HD2      LEU  35   1.362  12.449  -2.107
  183   3HD2  LEU  35           HD2      LEU  35   0.168  11.192  -2.431
  184    H    PHE  36           H        PHE  36  -0.006  12.988   4.172
  185    HA   PHE  36           HA       PHE  36  -2.384  14.496   4.462
  186   1HB   PHE  36          2HB       PHE  36  -1.493  13.084   6.265
  187   2HB   PHE  36          1HB       PHE  36  -0.107  14.159   6.439
  188    HD1  PHE  36           HD2      PHE  36  -0.504  16.581   7.121
  189    HD2  PHE  36           HD1      PHE  36  -3.559  13.570   7.310
  190    HE1  PHE  36           HE2      PHE  36  -1.814  18.007   8.670
  191    HE2  PHE  36           HE1      PHE  36  -4.871  14.997   8.858
  192    HZ   PHE  36           HZ       PHE  36  -4.000  17.218   9.537
  193    HA   PRO  37           HA       PRO  37  -0.899  18.587   3.768
  194   1HB   PRO  37          2HB       PRO  37  -3.072  19.932   4.797
  195   2HB   PRO  37          1HB       PRO  37  -3.066  19.149   3.207
  196   1HG   PRO  37          2HG       PRO  37  -4.367  18.249   5.738
  197   2HG   PRO  37          1HG       PRO  37  -4.824  17.912   4.060
  198   1HD   PRO  37          2HD       PRO  37  -3.465  16.136   5.785
  199   2HD   PRO  37          1HD       PRO  37  -3.608  15.966   4.023
  200    H    GLY  38           H        GLY  38   0.800  19.018   5.119
  201   1HA   GLY  38          2HA       GLY  38   1.337  20.629   6.994
  202   2HA   GLY  38          1HA       GLY  38   0.165  19.720   7.957
  203    H    CYS  39           H        CYS  39   1.177  17.250   6.414
  204    HA   CYS  39           HA       CYS  39   3.096  16.409   8.427
  205   1HB   CYS  39          2HB       CYS  39   1.418  14.931   7.185
  206   2HB   CYS  39          1HB       CYS  39   2.510  15.023   5.803
  207    H    THR  40           H        THR  40   5.276  15.488   7.746
  208    HA   THR  40           HA       THR  40   6.468  16.528   5.296
  209    HB   THR  40           HB       THR  40   7.574  17.588   7.903
  210    HG1  THR  40           HG1      THR  40   6.590  19.596   6.898
  211   1HG2  THR  40          2HG2      THR  40   9.056  17.425   5.886
  212   2HG2  THR  40          1HG2      THR  40   7.936  18.489   5.033
  213   3HG2  THR  40          3HG2      THR  40   8.813  19.080   6.445
  214    H    LYS  41           H        LYS  41   6.141  13.945   6.677
  215    HA   LYS  41           HA       LYS  41   9.040  13.252   6.874
  216   1HB   LYS  41          2HB       LYS  41   7.081  13.089   8.963
  217   2HB   LYS  41          1HB       LYS  41   7.563  11.453   8.512
  218   1HG   LYS  41          2HG       LYS  41   9.904  11.985   8.843
  219   2HG   LYS  41          1HG       LYS  41   9.522  13.686   9.111
  220   1HD   LYS  41          2HD       LYS  41   9.908  12.422  11.239
  221   2HD   LYS  41          1HD       LYS  41   8.301  13.143  11.144
  222   1HE   LYS  41          2HE       LYS  41   7.420  10.954  10.312
  223   2HE   LYS  41          1HE       LYS  41   9.017  10.253  10.573
  224   1HZ   LYS  41          1HZ       LYS  41   8.847  10.928  12.915
  225   2HZ   LYS  41          3HZ       LYS  41   7.268  11.479  12.635
  226   3HZ   LYS  41          2HZ       LYS  41   7.631   9.828  12.469
  227    H    THR  42           H        THR  42   9.220  12.190   4.913
  228    HA   THR  42           HA       THR  42   7.135  10.230   4.140
  229    HB   THR  42           HB       THR  42   8.110  10.230   1.999
  230    HG1  THR  42           HG1      THR  42  10.232  10.988   1.665
  231   1HG2  THR  42          3HG2      THR  42   7.092  12.402   2.552
  232   2HG2  THR  42          2HG2      THR  42   8.645  12.977   3.157
  233   3HG2  THR  42          1HG2      THR  42   8.448  12.605   1.444
  234    H    PHE  43           H        PHE  43   7.888   8.007   3.470
  235    HA   PHE  43           HA       PHE  43  10.353   7.160   4.924
  236   1HB   PHE  43          2HB       PHE  43   7.989   5.341   5.005
  237   2HB   PHE  43          1HB       PHE  43   9.275   5.562   6.190
  238    HD1  PHE  43           HD1      PHE  43   6.318   7.292   4.689
  239    HD2  PHE  43           HD2      PHE  43   8.923   6.921   8.084
  240    HE1  PHE  43           HE1      PHE  43   4.858   8.827   5.976
  241    HE2  PHE  43           HE2      PHE  43   7.461   8.457   9.372
  242    HZ   PHE  43           HZ       PHE  43   5.429   9.410   8.317
  243    H    LYS  44           H        LYS  44  10.150   4.426   4.372
  244    HA   LYS  44           HA       LYS  44   9.621   4.098   1.502
  245   1HB   LYS  44          2HB       LYS  44  11.951   3.414   0.987
  246   2HB   LYS  44          1HB       LYS  44  11.863   5.107   1.477
  247   1HG   LYS  44          2HG       LYS  44  12.486   4.451   3.789
  248   2HG   LYS  44          1HG       LYS  44  12.637   2.776   3.255
  249   1HD   LYS  44          2HD       LYS  44  14.248   5.127   2.216
  250   2HD   LYS  44          1HD       LYS  44  14.842   3.853   3.282
  251   1HE   LYS  44          2HE       LYS  44  13.677   2.494   1.124
  252   2HE   LYS  44          1HE       LYS  44  14.557   3.834   0.392
  253   1HZ   LYS  44          1HZ       LYS  44  15.706   1.971   2.396
  254   2HZ   LYS  44          3HZ       LYS  44  15.920   1.822   0.720
  255   3HZ   LYS  44          2HZ       LYS  44  16.534   3.180   1.536
  256    H    ARG  45           H        ARG  45   9.156   1.974   1.051
  257    HA   ARG  45           HA       ARG  45   8.462  -0.202   1.653
  258   1HB   ARG  45          2HB       ARG  45  10.443  -1.615   2.354
  259   2HB   ARG  45          1HB       ARG  45  10.687  -0.683   0.878
  260   1HG   ARG  45          2HG       ARG  45  11.906   1.033   2.118
  261   2HG   ARG  45          1HG       ARG  45  11.596   0.189   3.636
  262   1HD   ARG  45          2HD       ARG  45  12.704  -1.808   2.123
  263   2HD   ARG  45          1HD       ARG  45  13.576  -0.394   1.530
  264    HE   ARG  45           HE       ARG  45  13.637  -0.170   4.315
  265   1HH1  ARG  45           HH2      ARG  45  15.860  -0.842   2.166
  266   2HH1  ARG  45           HH2      ARG  45  16.618  -2.179   2.966
  267   1HH2  ARG  45           HH1      ARG  45  14.049  -2.602   5.259
  268   2HH2  ARG  45           HH1      ARG  45  15.591  -3.177   4.716
  269    H    ARG  46           H        ARG  46   7.039   0.588   3.403
  270    HA   ARG  46           HA       ARG  46   7.485  -0.785   5.865
  271   1HB   ARG  46          2HB       ARG  46   9.102   1.281   5.953
  272   2HB   ARG  46          1HB       ARG  46   7.628   2.187   6.293
  273   1HG   ARG  46          2HG       ARG  46   7.650   1.475   8.425
  274   2HG   ARG  46          1HG       ARG  46   7.638  -0.204   7.885
  275   1HD   ARG  46          2HD       ARG  46   9.730  -0.372   8.711
  276   2HD   ARG  46          1HD       ARG  46  10.246   0.662   7.379
  277    HE   ARG  46           HE       ARG  46   9.229   2.153   9.677
  278   1HH1  ARG  46           HH2      ARG  46  11.896   0.232   8.731
  279   2HH1  ARG  46           HH2      ARG  46  13.090   1.346   9.309
  280   1HH2  ARG  46           HH1      ARG  46  10.780   3.776  10.195
  281   2HH2  ARG  46           HH1      ARG  46  12.458   3.351  10.139
  282    H    TYR  47           H        TYR  47   5.461  -1.166   6.619
  283    HA   TYR  47           HA       TYR  47   3.268   0.631   5.722
  284   1HB   TYR  47          2HB       TYR  47   2.222  -1.602   7.139
  285   2HB   TYR  47          1HB       TYR  47   2.124  -1.291   5.408
  286    HD1  TYR  47           HD2      TYR  47   4.391  -1.808   4.087
  287    HD2  TYR  47           HD1      TYR  47   3.253  -3.558   7.838
  288    HE1  TYR  47           HE2      TYR  47   5.918  -3.718   3.656
  289    HE2  TYR  47           HE1      TYR  47   4.778  -5.471   7.410
  290    HH   TYR  47           HH       TYR  47   6.364  -6.292   6.075
  291    H    ASN  48           H        ASN  48   5.272   0.850   8.089
  292    HA   ASN  48           HA       ASN  48   3.397   0.821  10.348
  293   1HB   ASN  48          2HB       ASN  48   6.338   1.089  10.006
  294   2HB   ASN  48          1HB       ASN  48   5.633   1.942  11.379
  295   1HD2  ASN  48           HD2      ASN  48   6.130  -2.026  11.625
  296   2HD2  ASN  48           HD2      ASN  48   6.840  -1.072  10.414
  297    H    ILE  49           H        ILE  49   4.733   3.015   8.037
  298    HA   ILE  49           HA       ILE  49   4.368   5.451   9.506
  299    HB   ILE  49           HB       ILE  49   5.008   6.521   7.598
  300   1HG1  ILE  49          2HG1      ILE  49   2.689   6.160   6.604
  301   2HG1  ILE  49          1HG1      ILE  49   4.002   6.291   5.438
  302   1HG2  ILE  49          2HG2      ILE  49   6.416   4.431   7.696
  303   2HG2  ILE  49          1HG2      ILE  49   5.357   3.738   6.468
  304   3HG2  ILE  49          3HG2      ILE  49   6.310   5.173   6.101
  305   1HD1  ILE  49           HD1      ILE  49   3.476   3.553   6.398
  306   2HD1  ILE  49           HD1      ILE  49   2.175   4.270   5.448
  307   3HD1  ILE  49           HD1      ILE  49   3.796   4.136   4.764
  308    H    ARG  50           H        ARG  50   2.199   3.319   7.775
  309    HA   ARG  50           HA       ARG  50  -0.050   5.014   7.476
  310   1HB   ARG  50          2HB       ARG  50   0.285   2.060   7.953
  311   2HB   ARG  50          1HB       ARG  50  -1.330   2.769   7.986
  312   1HG   ARG  50          2HG       ARG  50  -1.382   2.897   5.740
  313   2HG   ARG  50          1HG       ARG  50   0.151   3.769   5.712
  314   1HD   ARG  50          2HD       ARG  50   0.802   1.861   4.592
  315   2HD   ARG  50          1HD       ARG  50   1.114   1.332   6.246
  316    HE   ARG  50           HE       ARG  50  -1.457   0.689   4.856
  317   1HH1  ARG  50           HH2      ARG  50   0.208   0.157   7.671
  318   2HH1  ARG  50           HH2      ARG  50   0.189  -1.573   7.588
  319   1HH2  ARG  50           HH1      ARG  50  -1.017  -1.669   4.338
  320   2HH2  ARG  50           HH1      ARG  50  -0.505  -2.607   5.702
  321    H    SER  51           H        SER  51   1.218   3.305  10.294
  322    HA   SER  51           HA       SER  51  -1.009   4.027  12.022
  323   1HB   SER  51          2HB       SER  51   0.699   2.117  12.380
  324   2HB   SER  51          1HB       SER  51   1.797   3.374  12.944
  325    HG   SER  51           HG       SER  51   0.472   3.791  14.620
  326    H    HIS  52           H        HIS  52   2.099   5.390  11.122
  327    HA   HIS  52           HA       HIS  52   2.311   7.408  13.103
  328   1HB   HIS  52          2HB       HIS  52   4.237   7.538  11.879
  329   2HB   HIS  52          1HB       HIS  52   3.466   6.860  10.451
  330    HD1  HIS  52           HD1      HIS  52   4.969   9.903  11.592
  331    HD2  HIS  52           HD2      HIS  52   1.701   9.022   9.162
  332    HE1  HIS  52           HE1      HIS  52   4.423  12.025  10.320
  333    H    ILE  53           H        ILE  53   0.557   7.387  10.022
  334    HA   ILE  53           HA       ILE  53  -0.382  10.113  10.375
  335    HB   ILE  53           HB       ILE  53  -2.278   8.689   8.787
  336   1HG1  ILE  53          2HG1      ILE  53   0.598   7.980   8.121
  337   2HG1  ILE  53          1HG1      ILE  53  -0.668   6.848   8.588
  338   1HG2  ILE  53          3HG2      ILE  53  -0.093  10.690   8.369
  339   2HG2  ILE  53          2HG2      ILE  53  -0.885   9.990   6.958
  340   3HG2  ILE  53          1HG2      ILE  53  -1.834  10.871   8.155
  341   1HD1  ILE  53           HD1      ILE  53  -1.700   8.403   6.447
  342   2HD1  ILE  53           HD1      ILE  53  -0.079   7.891   5.977
  343   3HD1  ILE  53           HD1      ILE  53  -1.286   6.689   6.432
  344    H    GLN  54           H        GLN  54  -1.790   6.900  10.942
  345    HA   GLN  54           HA       GLN  54  -4.316   7.637  11.837
  346   1HB   GLN  54          2HB       GLN  54  -2.600   5.353  12.146
  347   2HB   GLN  54          1HB       GLN  54  -3.371   5.700  13.694
  348   1HG   GLN  54          2HG       GLN  54  -5.119   4.531  12.825
  349   2HG   GLN  54          1HG       GLN  54  -5.470   6.035  11.972
  350   1HE2  GLN  54          2HE2      GLN  54  -3.510   4.657   9.050
  351   2HE2  GLN  54          1HE2      GLN  54  -3.239   5.946  10.120
  352    H    THR  55           H        THR  55  -1.240   8.204  13.465
  353    HA   THR  55           HA       THR  55  -2.657   8.931  15.929
  354    HB   THR  55           HB       THR  55  -0.146   8.023  15.566
  355    HG1  THR  55           HG1      THR  55  -0.646   9.947  17.561
  356   1HG2  THR  55          2HG2      THR  55   0.556  10.078  14.346
  357   2HG2  THR  55          1HG2      THR  55   0.187  11.028  15.782
  358   3HG2  THR  55          3HG2      THR  55   1.477   9.829  15.827
  359    H    HIS  56           H        HIS  56  -0.912  10.641  13.347
  360    HA   HIS  56           HA       HIS  56  -2.045  13.163  14.384
  361   1HB   HIS  56          2HB       HIS  56  -0.227  14.206  13.543
  362   2HB   HIS  56          1HB       HIS  56   0.470  12.604  13.564
  363    HD1  HIS  56           HD1      HIS  56  -1.087  15.112  11.184
  364    HD2  HIS  56           HD2      HIS  56   1.102  11.577  11.055
  365    HE1  HIS  56           HE1      HIS  56  -0.095  14.959   8.849
  366    H    LEU  57           H        LEU  57  -3.519  11.024  13.018
  367    HA   LEU  57           HA       LEU  57  -4.814  12.711  10.973
  368   1HB   LEU  57          2HB       LEU  57  -3.112  11.072   9.933
  369   2HB   LEU  57          1HB       LEU  57  -4.232   9.800  10.417
  370    HG   LEU  57           HG       LEU  57  -5.964  10.657   9.022
  371   1HD1  LEU  57           HD1      LEU  57  -4.291  13.128   9.115
  372   2HD1  LEU  57           HD1      LEU  57  -5.235  12.839   7.654
  373   3HD1  LEU  57           HD1      LEU  57  -6.044  12.955   9.217
  374   1HD2  LEU  57           HD2      LEU  57  -3.847   9.566   7.953
  375   2HD2  LEU  57           HD2      LEU  57  -5.005  10.366   6.890
  376   3HD2  LEU  57           HD2      LEU  57  -3.514  11.189   7.349
  377    H    GLU  58           H        GLU  58  -4.955  10.229  13.422
  378    HA   GLU  58           HA       GLU  58  -7.908  10.119  13.040
  379   1HB   GLU  58          2HB       GLU  58  -6.285   7.976  12.746
  380   2HB   GLU  58          1HB       GLU  58  -6.567   7.901  14.487
  381   1HG   GLU  58          2HG       GLU  58  -9.051   8.140  13.970
  382   2HG   GLU  58          1HG       GLU  58  -8.635   7.863  12.279
  383    H    ASP  59           H        ASP  59  -7.632  12.104  14.522
  384    HA   ASP  59           HA       ASP  59  -6.675  11.931  17.173
  385   1HB   ASP  59          2HB       ASP  59  -8.067  13.821  15.650
  386   2HB   ASP  59          1HB       ASP  59  -9.140  13.476  17.007
  387    H    ARG  60           H        ARG  60 -10.009  11.353  15.997
  388    HA   ARG  60           HA       ARG  60 -11.660   9.916  16.853
  389   1HB   ARG  60          2HB       ARG  60  -9.596   8.389  17.144
  390   2HB   ARG  60          1HB       ARG  60  -9.623   8.896  18.833
  391   1HG   ARG  60          2HG       ARG  60 -11.574   7.770  19.288
  392   2HG   ARG  60          1HG       ARG  60 -12.209   8.000  17.658
  393   1HD   ARG  60          2HD       ARG  60 -10.749   6.282  16.778
  394   2HD   ARG  60          1HD       ARG  60  -9.910   6.141  18.323
  395    HE   ARG  60           HE       ARG  60 -11.772   4.918  19.184
  396   1HH1  ARG  60           HH1      ARG  60 -14.260   5.556  18.872
  397   2HH1  ARG  60           HH1      ARG  60 -14.863   4.951  17.365
  398   1HH2  ARG  60           HH2      ARG  60 -11.713   4.429  16.012
  399   2HH2  ARG  60           HH2      ARG  60 -13.421   4.312  15.745
   
  No H/Q in entry =         399
  Start of MODEL    7
    1   1H    THR  14          3H        THR  14 -17.204   2.957  16.347
    2   2H    THR  14          2H        THR  14 -18.156   4.358  16.468
    3   3H    THR  14          1H        THR  14 -18.815   2.933  15.817
    4    HA   THR  14           HA       THR  14 -17.690   3.127  13.835
    5    HB   THR  14           HB       THR  14 -18.115   5.979  14.783
    6    HG1  THR  14           HG1      THR  14 -20.177   5.677  14.259
    7   1HG2  THR  14          1HG2      THR  14 -16.897   5.183  12.481
    8   2HG2  THR  14          3HG2      THR  14 -18.586   5.200  11.970
    9   3HG2  THR  14          2HG2      THR  14 -17.847   6.660  12.628
   10    H    LEU  15           H        LEU  15 -15.530   2.477  13.854
   11    HA   LEU  15           HA       LEU  15 -13.469   4.197  15.032
   12   1HB   LEU  15          2HB       LEU  15 -13.623   1.482  13.884
   13   2HB   LEU  15          1HB       LEU  15 -12.110   2.328  13.558
   14    HG   LEU  15           HG       LEU  15 -12.168   0.973  15.716
   15   1HD1  LEU  15           HD1      LEU  15 -10.714   3.070  15.129
   16   2HD1  LEU  15           HD1      LEU  15 -11.740   3.891  16.305
   17   3HD1  LEU  15           HD1      LEU  15 -10.768   2.506  16.799
   18   1HD2  LEU  15           HD2      LEU  15 -14.575   2.373  16.054
   19   2HD2  LEU  15           HD2      LEU  15 -13.766   1.372  17.259
   20   3HD2  LEU  15           HD2      LEU  15 -13.462   3.109  17.209
   21    HA   PRO  16           HA       PRO  16 -12.817   6.445  11.269
   22   1HB   PRO  16          2HB       PRO  16 -10.499   7.700  12.054
   23   2HB   PRO  16          1HB       PRO  16 -12.111   8.191  12.604
   24   1HG   PRO  16          2HG       PRO  16  -9.986   6.726  14.096
   25   2HG   PRO  16          1HG       PRO  16 -11.288   7.754  14.718
   26   1HD   PRO  16          2HD       PRO  16 -11.259   4.919  14.720
   27   2HD   PRO  16          1HD       PRO  16 -12.668   5.953  15.044
   28    H    ARG  17           H        ARG  17 -11.742   5.903   9.372
   29    HA   ARG  17           HA       ARG  17  -9.017   5.036   9.239
   30   1HB   ARG  17          2HB       ARG  17  -9.607   2.633   8.493
   31   2HB   ARG  17          1HB       ARG  17  -9.621   2.969  10.224
   32   1HG   ARG  17          2HG       ARG  17 -11.792   2.396  10.342
   33   2HG   ARG  17          1HG       ARG  17 -12.196   3.621   9.139
   34   1HD   ARG  17          2HD       ARG  17 -10.904   1.224   8.019
   35   2HD   ARG  17          1HD       ARG  17 -12.475   0.914   8.758
   36    HE   ARG  17           HE       ARG  17 -12.778   3.206   7.136
   37   1HH1  ARG  17           HH2      ARG  17 -14.257   0.521   6.946
   38   2HH1  ARG  17           HH2      ARG  17 -13.892   0.066   5.316
   39   1HH2  ARG  17           HH1      ARG  17 -11.307   2.352   4.976
   40   2HH2  ARG  17           HH1      ARG  17 -12.222   1.103   4.200
   41    H    GLY  18           H        GLY  18 -10.634   6.858   7.809
   42   1HA   GLY  18          2HA       GLY  18 -10.624   5.575   5.107
   43   2HA   GLY  18          1HA       GLY  18 -11.895   6.702   5.583
   44    H    SER  19           H        SER  19  -9.115   7.771   7.029
   45    HA   SER  19           HA       SER  19  -8.572   9.632   4.766
   46   1HB   SER  19          2HB       SER  19  -8.709  10.002   7.724
   47   2HB   SER  19          1HB       SER  19  -7.549  10.980   6.829
   48    HG   SER  19           HG       SER  19 -10.333  10.972   6.771
   49    H    ILE  20           H        ILE  20  -7.327   6.930   5.926
   50    HA   ILE  20           HA       ILE  20  -4.532   7.838   6.223
   51    HB   ILE  20           HB       ILE  20  -5.334   4.951   6.134
   52   1HG1  ILE  20          2HG1      ILE  20  -7.070   5.869   7.527
   53   2HG1  ILE  20          1HG1      ILE  20  -5.864   5.172   8.607
   54   1HG2  ILE  20          1HG2      ILE  20  -2.971   6.183   6.575
   55   2HG2  ILE  20          3HG2      ILE  20  -3.588   6.140   8.226
   56   3HG2  ILE  20          2HG2      ILE  20  -3.395   4.641   7.318
   57   1HD1  ILE  20           HD1      ILE  20  -4.812   7.516   8.677
   58   2HD1  ILE  20           HD1      ILE  20  -6.315   8.085   7.951
   59   3HD1  ILE  20           HD1      ILE  20  -6.340   7.306   9.532
   60    H    ASP  21           H        ASP  21  -6.570   5.997   4.007
   61    HA   ASP  21           HA       ASP  21  -4.373   5.318   2.224
   62   1HB   ASP  21          2HB       ASP  21  -7.374   5.132   2.056
   63   2HB   ASP  21          1HB       ASP  21  -6.376   4.828   0.634
   64    H    LYS  22           H        LYS  22  -6.728   7.925   2.455
   65    HA   LYS  22           HA       LYS  22  -6.026   9.012  -0.170
   66   1HB   LYS  22          2HB       LYS  22  -7.400  10.986   0.642
   67   2HB   LYS  22          1HB       LYS  22  -8.261   9.449   0.601
   68   1HG   LYS  22          2HG       LYS  22  -8.079   9.166   2.959
   69   2HG   LYS  22          1HG       LYS  22  -6.868  10.442   3.093
   70   1HD   LYS  22          2HD       LYS  22  -9.677  10.967   2.099
   71   2HD   LYS  22          1HD       LYS  22  -9.238  11.085   3.802
   72   1HE   LYS  22          2HE       LYS  22  -7.994  12.986   3.494
   73   2HE   LYS  22          1HE       LYS  22  -7.471  12.507   1.878
   74   1HZ   LYS  22          2HZ       LYS  22 -10.194  12.834   1.703
   75   2HZ   LYS  22          1HZ       LYS  22  -9.663  14.146   2.643
   76   3HZ   LYS  22          3HZ       LYS  22  -9.005  13.885   1.101
   77    H    TYR  23           H        TYR  23  -4.285   8.807   2.579
   78    HA   TYR  23           HA       TYR  23  -2.829  11.326   1.939
   79   1HB   TYR  23          2HB       TYR  23  -3.909  10.453   4.602
   80   2HB   TYR  23          1HB       TYR  23  -2.404  11.371   4.540
   81    HD1  TYR  23           HD2      TYR  23  -2.809  13.170   2.274
   82    HD2  TYR  23           HD1      TYR  23  -5.570  11.954   5.332
   83    HE1  TYR  23           HE2      TYR  23  -4.096  15.265   1.946
   84    HE2  TYR  23           HE1      TYR  23  -6.855  14.049   5.004
   85    HH   TYR  23           HH       TYR  23  -5.822  16.482   2.604
   86    H    VAL  24           H        VAL  24  -2.586   8.236   1.659
   87    HA   VAL  24           HA       VAL  24   0.202   8.097   2.725
   88    HB   VAL  24           HB       VAL  24  -1.553   6.596   3.859
   89   1HG1  VAL  24          3HG1      VAL  24  -2.622   6.007   1.619
   90   2HG1  VAL  24          2HG1      VAL  24  -1.224   4.972   1.329
   91   3HG1  VAL  24          1HG1      VAL  24  -2.295   4.646   2.691
   92   1HG2  VAL  24          2HG2      VAL  24   0.884   5.385   2.516
   93   2HG2  VAL  24          1HG2      VAL  24   0.844   6.188   4.086
   94   3HG2  VAL  24          3HG2      VAL  24   0.014   4.647   3.862
   95    H    LYS  25           H        LYS  25   1.597   8.104   1.027
   96    HA   LYS  25           HA       LYS  25   0.635   7.030  -1.583
   97   1HB   LYS  25          2HB       LYS  25   2.347   9.263  -0.789
   98   2HB   LYS  25          1HB       LYS  25   3.095   8.253  -2.026
   99   1HG   LYS  25          2HG       LYS  25   0.291   8.658  -2.621
  100   2HG   LYS  25          1HG       LYS  25   1.107  10.208  -2.419
  101   1HD   LYS  25          2HD       LYS  25   2.962   8.915  -3.901
  102   2HD   LYS  25          1HD       LYS  25   1.501   8.119  -4.492
  103   1HE   LYS  25          2HE       LYS  25   1.574   9.951  -5.914
  104   2HE   LYS  25          1HE       LYS  25   0.590  10.607  -4.605
  105   1HZ   LYS  25          1HZ       LYS  25   3.028  11.142  -3.700
  106   2HZ   LYS  25          3HZ       LYS  25   3.318  11.239  -5.369
  107   3HZ   LYS  25          2HZ       LYS  25   2.130  12.223  -4.656
  108    H    GLU  26           H        GLU  26   1.032   4.801  -1.144
  109    HA   GLU  26           HA       GLU  26   3.653   3.904  -0.233
  110   1HB   GLU  26          2HB       GLU  26   2.739   1.627  -0.884
  111   2HB   GLU  26          1HB       GLU  26   1.767   2.505   0.299
  112   1HG   GLU  26          2HG       GLU  26   0.017   2.734  -1.131
  113   2HG   GLU  26          1HG       GLU  26   1.067   3.089  -2.503
  114    H    MET  27           H        MET  27   5.254   4.524  -1.682
  115    HA   MET  27           HA       MET  27   4.898   4.318  -4.554
  116   1HB   MET  27          2HB       MET  27   6.709   5.574  -2.827
  117   2HB   MET  27          1HB       MET  27   7.672   4.381  -3.699
  118   1HG   MET  27          2HG       MET  27   6.915   5.252  -5.836
  119   2HG   MET  27          1HG       MET  27   5.798   6.354  -5.032
  120   1HE   MET  27          1HE       MET  27   6.039   8.365  -4.856
  121   2HE   MET  27          3HE       MET  27   6.911   8.569  -3.329
  122   3HE   MET  27          2HE       MET  27   7.457   9.407  -4.779
  123    HA   PRO  28           HA       PRO  28   5.845  -0.018  -4.727
  124   1HB   PRO  28          2HB       PRO  28   5.936  -0.172  -7.477
  125   2HB   PRO  28          1HB       PRO  28   4.432  -0.165  -6.538
  126   1HG   PRO  28          2HG       PRO  28   5.666   2.044  -8.132
  127   2HG   PRO  28          1HG       PRO  28   3.957   1.728  -7.786
  128   1HD   PRO  28          2HD       PRO  28   5.521   3.661  -6.491
  129   2HD   PRO  28          1HD       PRO  28   3.997   2.997  -5.865
  130    H    ASP  29           H        ASP  29   7.793   2.589  -5.641
  131    HA   ASP  29           HA       ASP  29  10.041   0.906  -6.551
  132   1HB   ASP  29          2HB       ASP  29  11.218   3.200  -6.598
  133   2HB   ASP  29          1HB       ASP  29   9.910   2.956  -7.756
  134    H    LYS  30           H        LYS  30   8.756   0.998  -3.763
  135    HA   LYS  30           HA       LYS  30   9.578   0.605  -1.616
  136   1HB   LYS  30          2HB       LYS  30  12.003   0.533  -3.250
  137   2HB   LYS  30          1HB       LYS  30  12.300   1.154  -1.625
  138   1HG   LYS  30          2HG       LYS  30  11.669  -0.826  -0.610
  139   2HG   LYS  30          1HG       LYS  30  10.576  -1.272  -1.920
  140   1HD   LYS  30          2HD       LYS  30  13.501  -1.100  -2.522
  141   2HD   LYS  30          1HD       LYS  30  12.916  -2.499  -1.620
  142   1HE   LYS  30          2HE       LYS  30  11.200  -2.868  -3.408
  143   2HE   LYS  30          1HE       LYS  30  11.939  -1.560  -4.332
  144   1HZ   LYS  30          3HZ       LYS  30  14.091  -2.911  -3.965
  145   2HZ   LYS  30          2HZ       LYS  30  13.035  -4.208  -3.664
  146   3HZ   LYS  30          1HZ       LYS  30  12.996  -3.408  -5.162
  147    H    THR  31           H        THR  31   8.324   2.756  -1.586
  148    HA   THR  31           HA       THR  31   9.932   4.656  -0.058
  149    HB   THR  31           HB       THR  31   8.498   5.830  -2.403
  150    HG1  THR  31           HG1      THR  31  11.238   5.238  -2.494
  151   1HG2  THR  31          3HG2      THR  31  10.504   6.650  -0.370
  152   2HG2  THR  31          2HG2      THR  31  10.666   7.356  -1.979
  153   3HG2  THR  31          1HG2      THR  31   9.170   7.569  -1.068
  154    H    PHE  32           H        PHE  32   8.356   6.664   0.408
  155    HA   PHE  32           HA       PHE  32   5.515   5.959   0.450
  156   1HB   PHE  32          2HB       PHE  32   7.277   5.580   2.821
  157   2HB   PHE  32          1HB       PHE  32   5.720   6.357   3.112
  158    HD1  PHE  32           HD2      PHE  32   3.609   5.186   2.612
  159    HD2  PHE  32           HD1      PHE  32   7.419   3.268   2.101
  160    HE1  PHE  32           HE2      PHE  32   2.481   2.981   2.475
  161    HE2  PHE  32           HE1      PHE  32   6.292   1.064   1.964
  162    HZ   PHE  32           HZ       PHE  32   3.823   0.920   2.150
  163    H    GLU  33           H        GLU  33   4.249   7.826   0.827
  164    HA   GLU  33           HA       GLU  33   5.680  10.273   1.709
  165   1HB   GLU  33          2HB       GLU  33   5.827  10.194  -0.773
  166   2HB   GLU  33          1HB       GLU  33   4.065  10.131  -0.852
  167   1HG   GLU  33          2HG       GLU  33   4.290  12.406  -1.004
  168   2HG   GLU  33          1HG       GLU  33   4.359  12.281   0.754
  169    H    CYS  34           H        CYS  34   4.418  10.536   3.534
  170    HA   CYS  34           HA       CYS  34   1.586  10.106   3.660
  171   1HB   CYS  34          2HB       CYS  34   3.197  10.309   5.615
  172   2HB   CYS  34          1HB       CYS  34   3.202  12.048   5.332
  173    H    LEU  35           H        LEU  35   0.388  11.173   2.103
  174    HA   LEU  35           HA       LEU  35   0.993  13.840   1.192
  175   1HB   LEU  35          2HB       LEU  35  -1.632  12.356   0.929
  176   2HB   LEU  35          1HB       LEU  35  -1.046  13.671  -0.088
  177    HG   LEU  35           HG       LEU  35   0.698  11.265   0.181
  178   1HD1  LEU  35           HD1      LEU  35  -2.001  10.937  -0.459
  179   2HD1  LEU  35           HD1      LEU  35  -1.193  11.012  -2.024
  180   3HD1  LEU  35           HD1      LEU  35  -0.699   9.808  -0.833
  181   1HD2  LEU  35           HD2      LEU  35   0.262  13.548  -1.614
  182   2HD2  LEU  35           HD2      LEU  35   1.717  12.585  -1.358
  183   3HD2  LEU  35           HD2      LEU  35   0.471  12.023  -2.473
  184    H    PHE  36           H        PHE  36  -0.145  12.989   4.182
  185    HA   PHE  36           HA       PHE  36  -2.421  14.616   4.587
  186   1HB   PHE  36          2HB       PHE  36  -1.531  13.120   6.327
  187   2HB   PHE  36          1HB       PHE  36  -0.107  14.149   6.489
  188    HD1  PHE  36           HD2      PHE  36  -0.401  16.556   7.246
  189    HD2  PHE  36           HD1      PHE  36  -3.569  13.668   7.401
  190    HE1  PHE  36           HE2      PHE  36  -1.623  17.983   8.862
  191    HE2  PHE  36           HE1      PHE  36  -4.793  15.090   9.019
  192    HZ   PHE  36           HZ       PHE  36  -3.822  17.253   9.748
  193    HA   PRO  37           HA       PRO  37  -0.749  18.640   3.926
  194   1HB   PRO  37          2HB       PRO  37  -2.840  20.062   5.015
  195   2HB   PRO  37          1HB       PRO  37  -2.898  19.311   3.410
  196   1HG   PRO  37          2HG       PRO  37  -4.198  18.425   5.947
  197   2HG   PRO  37          1HG       PRO  37  -4.698  18.141   4.271
  198   1HD   PRO  37          2HD       PRO  37  -3.396  16.271   5.940
  199   2HD   PRO  37          1HD       PRO  37  -3.575  16.143   4.176
  200    H    GLY  38           H        GLY  38   0.976  19.026   5.248
  201   1HA   GLY  38          2HA       GLY  38   1.597  20.550   7.161
  202   2HA   GLY  38          1HA       GLY  38   0.411  19.651   8.116
  203    H    CYS  39           H        CYS  39   1.290  17.177   6.526
  204    HA   CYS  39           HA       CYS  39   3.176  16.191   8.475
  205   1HB   CYS  39          2HB       CYS  39   1.524  14.823   7.082
  206   2HB   CYS  39          1HB       CYS  39   2.661  14.996   5.745
  207    H    THR  40           H        THR  40   5.370  15.294   7.798
  208    HA   THR  40           HA       THR  40   6.642  16.510   5.467
  209    HB   THR  40           HB       THR  40   8.125  17.276   7.885
  210    HG1  THR  40           HG1      THR  40   6.717  18.689   8.657
  211   1HG2  THR  40          2HG2      THR  40   7.313  18.477   5.253
  212   2HG2  THR  40          1HG2      THR  40   7.985  19.504   6.520
  213   3HG2  THR  40          3HG2      THR  40   8.932  18.162   5.877
  214    H    LYS  41           H        LYS  41   6.236  13.817   6.599
  215    HA   LYS  41           HA       LYS  41   9.118  13.059   6.790
  216   1HB   LYS  41          2HB       LYS  41   6.958  12.564   8.737
  217   2HB   LYS  41          1HB       LYS  41   7.906  11.137   8.315
  218   1HG   LYS  41          2HG       LYS  41   9.892  12.973   8.616
  219   2HG   LYS  41          1HG       LYS  41   8.719  13.574   9.788
  220   1HD   LYS  41          2HD       LYS  41   9.909  10.790   9.658
  221   2HD   LYS  41          1HD       LYS  41  10.145  11.992  10.929
  222   1HE   LYS  41          2HE       LYS  41   7.363  11.722  10.710
  223   2HE   LYS  41          1HE       LYS  41   7.987  10.075  10.601
  224   1HZ   LYS  41          3HZ       LYS  41   9.263  10.463  12.615
  225   2HZ   LYS  41          2HZ       LYS  41   8.656  12.047  12.720
  226   3HZ   LYS  41          1HZ       LYS  41   7.609  10.719  12.895
  227    H    THR  42           H        THR  42   9.608  11.620   5.226
  228    HA   THR  42           HA       THR  42   7.390   9.994   4.049
  229    HB   THR  42           HB       THR  42   8.532  10.024   1.997
  230    HG1  THR  42           HG1      THR  42  10.805  11.039   2.177
  231   1HG2  THR  42          3HG2      THR  42   8.160  12.475   3.385
  232   2HG2  THR  42          2HG2      THR  42   9.653  12.621   2.457
  233   3HG2  THR  42          1HG2      THR  42   8.145  12.206   1.642
  234    H    PHE  43           H        PHE  43   8.013   7.737   3.424
  235    HA   PHE  43           HA       PHE  43  10.315   6.706   5.027
  236   1HB   PHE  43          2HB       PHE  43   7.752   5.154   4.856
  237   2HB   PHE  43          1HB       PHE  43   9.033   5.053   6.066
  238    HD1  PHE  43           HD1      PHE  43   6.400   7.357   4.739
  239    HD2  PHE  43           HD2      PHE  43   8.877   6.268   8.075
  240    HE1  PHE  43           HE1      PHE  43   5.184   8.976   6.171
  241    HE2  PHE  43           HE2      PHE  43   7.661   7.888   9.507
  242    HZ   PHE  43           HZ       PHE  43   5.815   9.242   8.554
  243    H    LYS  44           H        LYS  44   9.994   4.003   4.422
  244    HA   LYS  44           HA       LYS  44   9.651   3.656   1.537
  245   1HB   LYS  44          2HB       LYS  44  11.820   4.534   1.297
  246   2HB   LYS  44          1HB       LYS  44  12.378   3.822   2.810
  247   1HG   LYS  44          2HG       LYS  44  12.439   1.624   1.859
  248   2HG   LYS  44          1HG       LYS  44  11.559   2.148   0.424
  249   1HD   LYS  44          2HD       LYS  44  13.545   2.533  -0.566
  250   2HD   LYS  44          1HD       LYS  44  13.800   3.843   0.588
  251   1HE   LYS  44          2HE       LYS  44  15.687   2.454   0.893
  252   2HE   LYS  44          1HE       LYS  44  14.605   1.987   2.206
  253   1HZ   LYS  44          2HZ       LYS  44  14.492   0.599  -0.391
  254   2HZ   LYS  44          1HZ       LYS  44  15.658   0.162   0.765
  255   3HZ   LYS  44          3HZ       LYS  44  14.008   0.044   1.141
  256    H    ARG  45           H        ARG  45   9.024   1.565   1.203
  257    HA   ARG  45           HA       ARG  45   8.333  -0.603   1.847
  258   1HB   ARG  45          2HB       ARG  45  10.711  -0.838   1.023
  259   2HB   ARG  45          1HB       ARG  45  11.235  -0.765   2.706
  260   1HG   ARG  45          2HG       ARG  45  10.879  -2.987   2.828
  261   2HG   ARG  45          1HG       ARG  45   9.154  -2.654   2.670
  262   1HD   ARG  45          2HD       ARG  45   9.122  -3.156   0.412
  263   2HD   ARG  45          1HD       ARG  45  10.807  -2.691   0.178
  264    HE   ARG  45           HE       ARG  45  10.594  -5.034   1.863
  265   1HH1  ARG  45           HH2      ARG  45  11.718  -3.838  -1.046
  266   2HH1  ARG  45           HH2      ARG  45  11.647  -5.341  -1.904
  267   1HH2  ARG  45           HH1      ARG  45   9.949  -7.007   0.618
  268   2HH2  ARG  45           HH1      ARG  45  10.648  -7.133  -0.962
  269    H    ARG  46           H        ARG  46   7.052   0.352   3.687
  270    HA   ARG  46           HA       ARG  46   7.647  -1.049   6.136
  271   1HB   ARG  46          2HB       ARG  46   8.843   1.525   5.850
  272   2HB   ARG  46          1HB       ARG  46   7.540   1.669   7.032
  273   1HG   ARG  46          2HG       ARG  46   8.564  -0.593   7.955
  274   2HG   ARG  46          1HG       ARG  46  10.016  -0.014   7.138
  275   1HD   ARG  46          2HD       ARG  46   8.725   2.113   8.650
  276   2HD   ARG  46          1HD       ARG  46   9.139   0.744   9.682
  277    HE   ARG  46           HE       ARG  46  11.297   1.599   7.887
  278   1HH1  ARG  46           HH2      ARG  46  10.655   0.609  10.957
  279   2HH1  ARG  46           HH2      ARG  46  11.645   1.777  11.766
  280   1HH2  ARG  46           HH1      ARG  46  12.189   3.678   8.916
  281   2HH2  ARG  46           HH1      ARG  46  12.514   3.516  10.610
  282    H    TYR  47           H        TYR  47   5.730  -1.363   7.191
  283    HA   TYR  47           HA       TYR  47   3.393   0.234   6.264
  284   1HB   TYR  47          2HB       TYR  47   2.541  -1.915   7.913
  285   2HB   TYR  47          1HB       TYR  47   2.340  -1.764   6.170
  286    HD1  TYR  47           HD2      TYR  47   4.530  -2.306   4.763
  287    HD2  TYR  47           HD1      TYR  47   3.737  -3.726   8.737
  288    HE1  TYR  47           HE2      TYR  47   6.134  -4.169   4.413
  289    HE2  TYR  47           HE1      TYR  47   5.340  -5.592   8.390
  290    HH   TYR  47           HH       TYR  47   7.215  -5.866   5.375
  291    H    ASN  48           H        ASN  48   5.428   0.999   8.339
  292    HA   ASN  48           HA       ASN  48   3.705   0.979  10.743
  293   1HB   ASN  48          2HB       ASN  48   6.639   1.549  10.305
  294   2HB   ASN  48          1HB       ASN  48   5.831   1.982  11.812
  295   1HD2  ASN  48           HD2      ASN  48   7.177  -1.679  11.622
  296   2HD2  ASN  48           HD2      ASN  48   7.847  -0.296  10.901
  297    H    ILE  49           H        ILE  49   4.797   2.947   8.175
  298    HA   ILE  49           HA       ILE  49   4.457   5.499   9.514
  299    HB   ILE  49           HB       ILE  49   5.379   6.351   7.639
  300   1HG1  ILE  49          2HG1      ILE  49   3.060   6.481   6.690
  301   2HG1  ILE  49          1HG1      ILE  49   4.315   6.299   5.467
  302   1HG2  ILE  49          3HG2      ILE  49   6.482   4.119   7.609
  303   2HG2  ILE  49          2HG2      ILE  49   5.246   3.558   6.484
  304   3HG2  ILE  49          1HG2      ILE  49   6.349   4.844   6.008
  305   1HD1  ILE  49           HD1      ILE  49   3.525   3.690   6.297
  306   2HD1  ILE  49           HD1      ILE  49   2.062   4.612   5.952
  307   3HD1  ILE  49           HD1      ILE  49   3.308   4.441   4.716
  308    H    ARG  50           H        ARG  50   2.392   3.238   7.826
  309    HA   ARG  50           HA       ARG  50   0.163   4.912   7.299
  310   1HB   ARG  50          2HB       ARG  50   0.250   1.996   8.146
  311   2HB   ARG  50          1HB       ARG  50  -1.188   2.809   7.524
  312   1HG   ARG  50          2HG       ARG  50   0.384   3.469   5.527
  313   2HG   ARG  50          1HG       ARG  50   1.354   2.106   6.087
  314   1HD   ARG  50          2HD       ARG  50  -0.737   0.694   6.003
  315   2HD   ARG  50          1HD       ARG  50  -1.547   2.050   5.220
  316    HE   ARG  50           HE       ARG  50   0.947   1.120   3.945
  317   1HH1  ARG  50           HH2      ARG  50  -1.644   2.639   2.946
  318   2HH1  ARG  50           HH2      ARG  50  -2.239   1.458   1.828
  319   1HH2  ARG  50           HH1      ARG  50  -0.177  -1.073   2.997
  320   2HH2  ARG  50           HH1      ARG  50  -1.407  -0.644   1.856
  321    H    SER  51           H        SER  51   1.035   3.079  10.233
  322    HA   SER  51           HA       SER  51  -1.215   3.999  11.777
  323   1HB   SER  51          2HB       SER  51  -0.065   2.085  12.625
  324   2HB   SER  51          1HB       SER  51   1.500   2.886  12.519
  325    HG   SER  51           HG       SER  51   1.128   3.833  14.368
  326    H    HIS  52           H        HIS  52   2.006   5.250  11.101
  327    HA   HIS  52           HA       HIS  52   2.152   7.291  13.050
  328   1HB   HIS  52          2HB       HIS  52   4.132   7.384  11.905
  329   2HB   HIS  52          1HB       HIS  52   3.409   6.706  10.453
  330    HD1  HIS  52           HD1      HIS  52   4.954   9.715  11.588
  331    HD2  HIS  52           HD2      HIS  52   1.722   8.904   9.095
  332    HE1  HIS  52           HE1      HIS  52   4.491  11.842  10.289
  333    H    ILE  53           H        ILE  53   0.562   7.276   9.885
  334    HA   ILE  53           HA       ILE  53  -0.358   9.999  10.027
  335    HB   ILE  53           HB       ILE  53  -1.807   7.715   8.638
  336   1HG1  ILE  53          2HG1      ILE  53   0.615   9.258   7.658
  337   2HG1  ILE  53          1HG1      ILE  53   0.569   7.535   8.044
  338   1HG2  ILE  53          1HG2      ILE  53  -2.841   9.990   8.690
  339   2HG2  ILE  53          3HG2      ILE  53  -1.420  10.610   7.852
  340   3HG2  ILE  53          2HG2      ILE  53  -2.466   9.429   7.063
  341   1HD1  ILE  53           HD1      ILE  53  -1.535   7.768   6.295
  342   2HD1  ILE  53           HD1      ILE  53  -0.399   8.951   5.645
  343   3HD1  ILE  53           HD1      ILE  53   0.092   7.269   5.836
  344    H    GLN  54           H        GLN  54  -2.206   6.981  10.445
  345    HA   GLN  54           HA       GLN  54  -4.565   7.898  11.483
  346   1HB   GLN  54          2HB       GLN  54  -3.025   5.453  11.746
  347   2HB   GLN  54          1HB       GLN  54  -3.908   5.801  13.233
  348   1HG   GLN  54          2HG       GLN  54  -5.844   5.182  12.276
  349   2HG   GLN  54          1HG       GLN  54  -5.602   6.343  10.970
  350   1HE2  GLN  54          2HE2      GLN  54  -3.590   3.714   9.167
  351   2HE2  GLN  54          1HE2      GLN  54  -3.198   5.219   9.847
  352    H    THR  55           H        THR  55  -1.444   7.942  13.121
  353    HA   THR  55           HA       THR  55  -2.638   8.670  15.679
  354    HB   THR  55           HB       THR  55   0.156   9.483  15.260
  355    HG1  THR  55           HG1      THR  55  -0.266   6.725  15.233
  356   1HG2  THR  55          3HG2      THR  55  -1.449   7.817  17.177
  357   2HG2  THR  55          2HG2      THR  55   0.312   7.727  17.200
  358   3HG2  THR  55          1HG2      THR  55  -0.495   9.266  17.492
  359    H    HIS  56           H        HIS  56  -0.883  10.444  13.141
  360    HA   HIS  56           HA       HIS  56  -1.802  12.941  14.399
  361   1HB   HIS  56          2HB       HIS  56   0.006  13.943  13.488
  362   2HB   HIS  56          1HB       HIS  56   0.610  12.305  13.435
  363    HD1  HIS  56           HD1      HIS  56  -1.028  14.887  11.162
  364    HD2  HIS  56           HD2      HIS  56   1.274  11.432  10.937
  365    HE1  HIS  56           HE1      HIS  56  -0.069  14.800   8.810
  366    H    LEU  57           H        LEU  57  -3.457  10.972  12.907
  367    HA   LEU  57           HA       LEU  57  -4.800  12.949  11.163
  368   1HB   LEU  57          2HB       LEU  57  -3.641  10.383  10.304
  369   2HB   LEU  57          1HB       LEU  57  -5.318  10.620   9.820
  370    HG   LEU  57           HG       LEU  57  -4.466  13.021   9.151
  371   1HD1  LEU  57           HD1      LEU  57  -2.002  11.448   9.633
  372   2HD1  LEU  57           HD1      LEU  57  -2.038  12.359   8.123
  373   3HD1  LEU  57           HD1      LEU  57  -2.247  13.194   9.662
  374   1HD2  LEU  57           HD2      LEU  57  -4.608  10.445   7.784
  375   2HD2  LEU  57           HD2      LEU  57  -5.139  12.033   7.230
  376   3HD2  LEU  57           HD2      LEU  57  -3.461  11.538   7.009
  377    H    GLU  58           H        GLU  58  -4.955  10.649  13.656
  378    HA   GLU  58           HA       GLU  58  -7.345   9.302  13.448
  379   1HB   GLU  58          2HB       GLU  58  -5.688  10.178  15.573
  380   2HB   GLU  58          1HB       GLU  58  -7.337  10.634  16.002
  381   1HG   GLU  58          2HG       GLU  58  -8.108   8.419  15.922
  382   2HG   GLU  58          1HG       GLU  58  -6.757   7.886  14.920
  383    H    ASP  59           H        ASP  59  -7.376  12.442  15.159
  384    HA   ASP  59           HA       ASP  59  -9.612  13.368  13.479
  385   1HB   ASP  59          2HB       ASP  59  -9.978  12.199  16.147
  386   2HB   ASP  59          1HB       ASP  59 -10.673  13.813  15.991
  387    H    ARG  60           H        ARG  60  -7.163  14.549  13.588
  388    HA   ARG  60           HA       ARG  60  -7.715  17.219  14.342
  389   1HB   ARG  60          2HB       ARG  60  -7.118  15.624  16.586
  390   2HB   ARG  60          1HB       ARG  60  -5.650  16.547  16.262
  391   1HG   ARG  60          2HG       ARG  60  -7.678  18.414  15.903
  392   2HG   ARG  60          1HG       ARG  60  -8.228  17.468  17.287
  393   1HD   ARG  60          2HD       ARG  60  -6.660  18.375  18.630
  394   2HD   ARG  60          1HD       ARG  60  -5.382  18.038  17.463
  395    HE   ARG  60           HE       ARG  60  -5.571  20.263  16.691
  396   1HH1  ARG  60           HH2      ARG  60  -8.498  19.251  18.173
  397   2HH1  ARG  60           HH2      ARG  60  -9.094  20.859  18.416
  398   1HH2  ARG  60           HH1      ARG  60  -6.239  22.389  17.181
  399   2HH2  ARG  60           HH1      ARG  60  -7.815  22.636  17.855
   
  No H/Q in entry =         399
  Start of MODEL    8
    1   1H    THR  14          2H        THR  14  -5.308  -3.291  11.670
    2   2H    THR  14          1H        THR  14  -5.112  -2.258  13.005
    3   3H    THR  14          3H        THR  14  -5.277  -3.930  13.245
    4    HA   THR  14           HA       THR  14  -7.496  -3.885  13.103
    5    HB   THR  14           HB       THR  14  -8.440  -1.856  13.965
    6    HG1  THR  14           HG1      THR  14  -7.683   0.065  13.457
    7   1HG2  THR  14          1HG2      THR  14  -6.068  -2.978  14.988
    8   2HG2  THR  14          3HG2      THR  14  -5.869  -1.231  15.128
    9   3HG2  THR  14          2HG2      THR  14  -7.259  -2.022  15.870
   10    H    LEU  15           H        LEU  15  -9.385  -2.128  12.135
   11    HA   LEU  15           HA       LEU  15  -8.742  -2.033   9.213
   12   1HB   LEU  15          2HB       LEU  15 -11.408  -2.559  10.565
   13   2HB   LEU  15          1HB       LEU  15 -11.158  -2.439   8.823
   14    HG   LEU  15           HG       LEU  15  -9.924  -4.491  10.683
   15   1HD1  LEU  15           HD1      LEU  15 -12.383  -4.679   9.885
   16   2HD1  LEU  15           HD1      LEU  15 -11.695  -4.982   8.291
   17   3HD1  LEU  15           HD1      LEU  15 -11.330  -6.071   9.628
   18   1HD2  LEU  15           HD2      LEU  15  -9.198  -3.536   7.992
   19   2HD2  LEU  15           HD2      LEU  15  -8.249  -4.473   9.145
   20   3HD2  LEU  15           HD2      LEU  15  -9.411  -5.283   8.095
   21    HA   PRO  16           HA       PRO  16  -9.692   2.252  10.551
   22   1HB   PRO  16          2HB       PRO  16  -7.589   3.369   9.177
   23   2HB   PRO  16          1HB       PRO  16  -7.460   2.757  10.834
   24   1HG   PRO  16          2HG       PRO  16  -6.452   1.545   8.303
   25   2HG   PRO  16          1HG       PRO  16  -5.847   1.354   9.957
   26   1HD   PRO  16          2HD       PRO  16  -7.446  -0.513   8.554
   27   2HD   PRO  16          1HD       PRO  16  -7.116  -0.524  10.300
   28    H    ARG  17           H        ARG  17 -10.713   3.854   9.250
   29    HA   ARG  17           HA       ARG  17 -10.544   3.727   6.334
   30   1HB   ARG  17          2HB       ARG  17 -12.227   1.920   7.119
   31   2HB   ARG  17          1HB       ARG  17 -13.271   3.277   7.540
   32   1HG   ARG  17          2HG       ARG  17 -13.849   2.619   5.298
   33   2HG   ARG  17          1HG       ARG  17 -12.948   4.131   5.177
   34   1HD   ARG  17          2HD       ARG  17 -11.012   2.080   5.145
   35   2HD   ARG  17          1HD       ARG  17 -12.300   1.542   4.066
   36    HE   ARG  17           HE       ARG  17 -10.879   4.159   3.769
   37   1HH1  ARG  17           HH2      ARG  17 -13.565   2.705   2.554
   38   2HH1  ARG  17           HH2      ARG  17 -13.032   2.618   0.909
   39   1HH2  ARG  17           HH1      ARG  17  -9.760   3.507   1.646
   40   2HH2  ARG  17           HH1      ARG  17 -10.877   3.073   0.395
   41    H    GLY  18           H        GLY  18 -10.036   5.729   8.364
   42   1HA   GLY  18          2HA       GLY  18 -12.302   7.620   8.107
   43   2HA   GLY  18          1HA       GLY  18 -10.872   7.857   9.112
   44    H    SER  19           H        SER  19  -8.756   7.764   7.578
   45    HA   SER  19           HA       SER  19  -9.089   8.944   4.947
   46   1HB   SER  19          2HB       SER  19  -8.863  10.689   7.300
   47   2HB   SER  19          1HB       SER  19  -7.651  11.016   6.066
   48    HG   SER  19           HG       SER  19 -10.465  11.084   5.891
   49    H    ILE  20           H        ILE  20  -7.557   6.832   6.496
   50    HA   ILE  20           HA       ILE  20  -4.789   7.597   6.568
   51    HB   ILE  20           HB       ILE  20  -5.690   4.786   5.987
   52   1HG1  ILE  20          2HG1      ILE  20  -7.263   5.411   7.668
   53   2HG1  ILE  20          1HG1      ILE  20  -5.956   4.607   8.538
   54   1HG2  ILE  20          3HG2      ILE  20  -3.270   5.365   6.198
   55   2HG2  ILE  20          2HG2      ILE  20  -3.580   5.939   7.836
   56   3HG2  ILE  20          1HG2      ILE  20  -3.810   4.235   7.439
   57   1HD1  ILE  20           HD1      ILE  20  -4.956   7.008   8.760
   58   2HD1  ILE  20           HD1      ILE  20  -6.594   7.544   8.387
   59   3HD1  ILE  20           HD1      ILE  20  -6.295   6.547   9.811
   60    H    ASP  21           H        ASP  21  -6.584   5.654   4.184
   61    HA   ASP  21           HA       ASP  21  -4.436   5.678   2.258
   62   1HB   ASP  21          2HB       ASP  21  -7.354   5.308   1.573
   63   2HB   ASP  21          1HB       ASP  21  -5.947   4.579   0.798
   64    H    LYS  22           H        LYS  22  -6.711   8.026   3.214
   65    HA   LYS  22           HA       LYS  22  -6.971   9.399   0.667
   66   1HB   LYS  22          2HB       LYS  22  -7.749   9.892   3.488
   67   2HB   LYS  22          1HB       LYS  22  -7.494  11.332   2.501
   68   1HG   LYS  22          2HG       LYS  22  -8.931   9.706   0.800
   69   2HG   LYS  22          1HG       LYS  22  -9.644   9.332   2.369
   70   1HD   LYS  22          2HD       LYS  22 -10.834  11.217   1.372
   71   2HD   LYS  22          1HD       LYS  22  -9.932  11.774   2.782
   72   1HE   LYS  22          2HE       LYS  22  -9.250  13.389   1.294
   73   2HE   LYS  22          1HE       LYS  22  -8.044  12.160   0.912
   74   1HZ   LYS  22          1HZ       LYS  22  -9.843  11.332  -0.724
   75   2HZ   LYS  22          3HZ       LYS  22 -10.471  12.902  -0.575
   76   3HZ   LYS  22          2HZ       LYS  22  -8.887  12.672  -1.146
   77    H    TYR  23           H        TYR  23  -4.367   8.993   2.731
   78    HA   TYR  23           HA       TYR  23  -2.940  11.217   1.427
   79   1HB   TYR  23          2HB       TYR  23  -3.320  11.024   4.424
   80   2HB   TYR  23          1HB       TYR  23  -2.043  11.986   3.678
   81    HD1  TYR  23           HD2      TYR  23  -3.111  13.310   1.448
   82    HD2  TYR  23           HD1      TYR  23  -5.123  12.320   5.111
   83    HE1  TYR  23           HE2      TYR  23  -4.724  15.153   1.059
   84    HE2  TYR  23           HE1      TYR  23  -6.736  14.163   4.722
   85    HH   TYR  23           HH       TYR  23  -7.603  15.495   2.911
   86    H    VAL  24           H        VAL  24  -2.571   8.519   0.984
   87    HA   VAL  24           HA       VAL  24   0.096   8.080   2.250
   88    HB   VAL  24           HB       VAL  24  -2.049   5.981   1.792
   89   1HG1  VAL  24          2HG1      VAL  24   0.854   5.818   2.032
   90   2HG1  VAL  24          1HG1      VAL  24   0.040   4.906   3.303
   91   3HG1  VAL  24          3HG1      VAL  24  -0.304   4.559   1.608
   92   1HG2  VAL  24          2HG2      VAL  24  -1.920   7.684   3.873
   93   2HG2  VAL  24          1HG2      VAL  24  -2.418   6.003   4.066
   94   3HG2  VAL  24          3HG2      VAL  24  -0.761   6.480   4.435
   95    H    LYS  25           H        LYS  25   1.635   7.832   0.698
   96    HA   LYS  25           HA       LYS  25   0.765   6.799  -1.970
   97   1HB   LYS  25          2HB       LYS  25   1.688   9.399  -1.396
   98   2HB   LYS  25          1HB       LYS  25   3.046   8.574  -2.162
   99   1HG   LYS  25          2HG       LYS  25   0.810   7.782  -3.652
  100   2HG   LYS  25          1HG       LYS  25   0.560   9.501  -3.351
  101   1HD   LYS  25          2HD       LYS  25   3.290   9.255  -3.975
  102   2HD   LYS  25          1HD       LYS  25   2.453   8.221  -5.133
  103   1HE   LYS  25          2HE       LYS  25   2.048  10.121  -6.295
  104   2HE   LYS  25          1HE       LYS  25   0.846  10.472  -5.052
  105   1HZ   LYS  25          3HZ       LYS  25   2.945  11.366  -3.800
  106   2HZ   LYS  25          2HZ       LYS  25   3.556  11.536  -5.377
  107   3HZ   LYS  25          1HZ       LYS  25   2.125  12.334  -4.926
  108    H    GLU  26           H        GLU  26   1.605   4.714  -1.615
  109    HA   GLU  26           HA       GLU  26   4.368   4.397  -0.658
  110   1HB   GLU  26          2HB       GLU  26   3.944   2.027  -0.779
  111   2HB   GLU  26          1HB       GLU  26   2.495   2.779  -0.110
  112   1HG   GLU  26          2HG       GLU  26   1.563   2.845  -2.466
  113   2HG   GLU  26          1HG       GLU  26   2.932   1.847  -2.958
  114    H    MET  27           H        MET  27   6.132   3.935  -1.970
  115    HA   MET  27           HA       MET  27   5.617   4.062  -4.904
  116   1HB   MET  27          2HB       MET  27   7.284   5.612  -3.391
  117   2HB   MET  27          1HB       MET  27   8.392   4.354  -3.940
  118   1HG   MET  27          2HG       MET  27   8.136   4.913  -6.178
  119   2HG   MET  27          1HG       MET  27   6.525   5.586  -5.932
  120   1HE   MET  27          1HE       MET  27   5.961   7.444  -4.673
  121   2HE   MET  27          3HE       MET  27   6.851   8.972  -4.619
  122   3HE   MET  27          2HE       MET  27   6.292   8.327  -6.161
  123    HA   PRO  28           HA       PRO  28   6.896  -0.126  -5.237
  124   1HB   PRO  28          2HB       PRO  28   7.533  -0.098  -7.919
  125   2HB   PRO  28          1HB       PRO  28   5.876  -0.169  -7.297
  126   1HG   PRO  28          2HG       PRO  28   7.345   2.153  -8.477
  127   2HG   PRO  28          1HG       PRO  28   5.609   1.796  -8.494
  128   1HD   PRO  28          2HD       PRO  28   6.844   3.657  -6.801
  129   2HD   PRO  28          1HD       PRO  28   5.241   2.938  -6.530
  130    H    ASP  29           H        ASP  29   8.945   2.546  -5.616
  131    HA   ASP  29           HA       ASP  29  11.340   0.880  -6.103
  132   1HB   ASP  29          2HB       ASP  29  12.442   3.266  -5.779
  133   2HB   ASP  29          1HB       ASP  29  11.639   2.858  -7.293
  134    H    LYS  30           H        LYS  30   9.552   0.926  -3.639
  135    HA   LYS  30           HA       LYS  30   9.907   0.522  -1.373
  136   1HB   LYS  30          2HB       LYS  30  12.810   1.050  -2.041
  137   2HB   LYS  30          1HB       LYS  30  12.217   0.379  -0.527
  138   1HG   LYS  30          2HG       LYS  30  11.636  -1.651  -1.498
  139   2HG   LYS  30          1HG       LYS  30  11.441  -0.945  -3.102
  140   1HD   LYS  30          2HD       LYS  30  13.996  -0.489  -2.970
  141   2HD   LYS  30          1HD       LYS  30  13.986  -1.678  -1.668
  142   1HE   LYS  30          2HE       LYS  30  12.687  -2.277  -4.321
  143   2HE   LYS  30          1HE       LYS  30  14.415  -2.534  -4.077
  144   1HZ   LYS  30          1HZ       LYS  30  12.401  -3.624  -2.208
  145   2HZ   LYS  30          3HZ       LYS  30  12.869  -4.472  -3.600
  146   3HZ   LYS  30          2HZ       LYS  30  14.021  -4.094  -2.410
  147    H    THR  31           H        THR  31   8.772   2.798  -1.752
  148    HA   THR  31           HA       THR  31  10.204   4.665   0.043
  149    HB   THR  31           HB       THR  31   8.846   5.759  -2.385
  150    HG1  THR  31           HG1      THR  31  11.604   5.199  -2.255
  151   1HG2  THR  31          1HG2      THR  31  10.675   6.698  -0.243
  152   2HG2  THR  31          3HG2      THR  31  10.928   7.379  -1.850
  153   3HG2  THR  31          2HG2      THR  31   9.364   7.553  -1.055
  154    H    PHE  32           H        PHE  32   8.525   6.644   0.393
  155    HA   PHE  32           HA       PHE  32   5.716   5.901   0.290
  156   1HB   PHE  32          2HB       PHE  32   7.330   5.246   2.660
  157   2HB   PHE  32          1HB       PHE  32   5.899   6.211   3.025
  158    HD1  PHE  32           HD2      PHE  32   3.633   5.405   2.352
  159    HD2  PHE  32           HD1      PHE  32   7.144   2.970   1.913
  160    HE1  PHE  32           HE2      PHE  32   2.206   3.394   2.089
  161    HE2  PHE  32           HE1      PHE  32   5.717   0.959   1.650
  162    HZ   PHE  32           HZ       PHE  32   3.247   1.170   1.738
  163    H    GLU  33           H        GLU  33   4.420   7.734   0.669
  164    HA   GLU  33           HA       GLU  33   5.741  10.141   1.793
  165   1HB   GLU  33          2HB       GLU  33   6.102  10.228  -0.656
  166   2HB   GLU  33          1HB       GLU  33   4.360  10.101  -0.906
  167   1HG   GLU  33          2HG       GLU  33   3.983  12.206   0.237
  168   2HG   GLU  33          1HG       GLU  33   5.682  12.305   0.701
  169    H    CYS  34           H        CYS  34   4.384  10.745   3.379
  170    HA   CYS  34           HA       CYS  34   1.547  10.091   3.380
  171   1HB   CYS  34          2HB       CYS  34   2.925  10.246   5.447
  172   2HB   CYS  34          1HB       CYS  34   3.154  11.966   5.151
  173    H    LEU  35           H        LEU  35   0.276  11.169   1.909
  174    HA   LEU  35           HA       LEU  35   0.939  13.821   0.936
  175   1HB   LEU  35          2HB       LEU  35  -1.627  12.248   0.595
  176   2HB   LEU  35          1HB       LEU  35  -1.109  13.628  -0.375
  177    HG   LEU  35           HG       LEU  35   1.071  11.903  -0.481
  178   1HD1  LEU  35           HD1      LEU  35  -1.518  10.397  -0.306
  179   2HD1  LEU  35           HD1      LEU  35  -0.269   9.826  -1.412
  180   3HD1  LEU  35           HD1      LEU  35   0.074   9.956   0.313
  181   1HD2  LEU  35           HD2      LEU  35  -1.261  12.281  -2.386
  182   2HD2  LEU  35           HD2      LEU  35   0.232  13.218  -2.351
  183   3HD2  LEU  35           HD2      LEU  35   0.267  11.520  -2.830
  184    H    PHE  36           H        PHE  36  -0.210  13.077   3.891
  185    HA   PHE  36           HA       PHE  36  -2.537  14.708   4.174
  186   1HB   PHE  36          2HB       PHE  36  -1.783  13.140   5.926
  187   2HB   PHE  36          1HB       PHE  36  -0.356  14.138   6.205
  188    HD1  PHE  36           HD2      PHE  36  -0.648  16.516   7.019
  189    HD2  PHE  36           HD1      PHE  36  -3.889  13.705   6.881
  190    HE1  PHE  36           HE2      PHE  36  -1.939  17.928   8.593
  191    HE2  PHE  36           HE1      PHE  36  -5.180  15.112   8.458
  192    HZ   PHE  36           HZ       PHE  36  -4.208  17.227   9.313
  193    HA   PRO  37           HA       PRO  37  -0.722  18.692   3.680
  194   1HB   PRO  37          2HB       PRO  37  -2.803  20.159   4.732
  195   2HB   PRO  37          1HB       PRO  37  -2.824  19.452   3.107
  196   1HG   PRO  37          2HG       PRO  37  -4.243  18.540   5.570
  197   2HG   PRO  37          1HG       PRO  37  -4.696  18.327   3.871
  198   1HD   PRO  37          2HD       PRO  37  -3.529  16.355   5.512
  199   2HD   PRO  37          1HD       PRO  37  -3.628  16.298   3.740
  200    H    GLY  38           H        GLY  38   0.953  19.110   5.045
  201   1HA   GLY  38          2HA       GLY  38   1.524  20.547   7.031
  202   2HA   GLY  38          1HA       GLY  38   0.316  19.615   7.923
  203    H    CYS  39           H        CYS  39   1.331  17.224   6.210
  204    HA   CYS  39           HA       CYS  39   3.141  16.195   8.228
  205   1HB   CYS  39          2HB       CYS  39   1.511  14.887   6.693
  206   2HB   CYS  39          1HB       CYS  39   2.786  15.004   5.482
  207    H    THR  40           H        THR  40   5.319  15.261   7.560
  208    HA   THR  40           HA       THR  40   6.699  16.485   5.310
  209    HB   THR  40           HB       THR  40   7.778  17.283   8.003
  210    HG1  THR  40           HG1      THR  40   6.210  19.054   6.518
  211   1HG2  THR  40          1HG2      THR  40   8.553  17.589   5.296
  212   2HG2  THR  40          3HG2      THR  40   8.058  19.184   5.861
  213   3HG2  THR  40          2HG2      THR  40   9.317  18.298   6.719
  214    H    LYS  41           H        LYS  41   6.199  13.826   6.591
  215    HA   LYS  41           HA       LYS  41   9.072  13.041   6.875
  216   1HB   LYS  41          2HB       LYS  41   6.739  12.413   8.639
  217   2HB   LYS  41          1HB       LYS  41   7.976  11.175   8.416
  218   1HG   LYS  41          2HG       LYS  41   9.476  12.298   9.681
  219   2HG   LYS  41          1HG       LYS  41   9.114  13.831   8.887
  220   1HD   LYS  41          2HD       LYS  41   7.322  12.562  10.977
  221   2HD   LYS  41          1HD       LYS  41   8.538  13.787  11.343
  222   1HE   LYS  41          2HE       LYS  41   7.365  15.157   9.450
  223   2HE   LYS  41          1HE       LYS  41   6.014  14.059   9.729
  224   1HZ   LYS  41          1HZ       LYS  41   6.068  14.666  12.077
  225   2HZ   LYS  41          3HZ       LYS  41   7.336  15.753  11.779
  226   3HZ   LYS  41          2HZ       LYS  41   5.806  16.025  11.091
  227    H    THR  42           H        THR  42   9.540  11.796   5.144
  228    HA   THR  42           HA       THR  42   7.409  10.053   3.991
  229    HB   THR  42           HB       THR  42   8.515  10.190   1.958
  230    HG1  THR  42           HG1      THR  42  10.936  10.932   3.191
  231   1HG2  THR  42          1HG2      THR  42   7.911  12.483   2.674
  232   2HG2  THR  42          3HG2      THR  42   9.516  12.672   3.382
  233   3HG2  THR  42          2HG2      THR  42   9.338  12.481   1.637
  234    H    PHE  43           H        PHE  43   7.895   7.776   3.652
  235    HA   PHE  43           HA       PHE  43  10.293   6.819   5.166
  236   1HB   PHE  43          2HB       PHE  43   7.876   5.100   5.239
  237   2HB   PHE  43          1HB       PHE  43   9.067   5.424   6.499
  238    HD1  PHE  43           HD1      PHE  43   6.333   7.134   4.583
  239    HD2  PHE  43           HD2      PHE  43   8.487   6.822   8.286
  240    HE1  PHE  43           HE1      PHE  43   4.785   8.770   5.617
  241    HE2  PHE  43           HE2      PHE  43   6.937   8.460   9.321
  242    HZ   PHE  43           HZ       PHE  43   5.085   9.429   7.986
  243    H    LYS  44           H        LYS  44   9.991   4.102   4.720
  244    HA   LYS  44           HA       LYS  44  10.037   3.937   1.733
  245   1HB   LYS  44          2HB       LYS  44  11.697   2.260   3.629
  246   2HB   LYS  44          1HB       LYS  44  11.860   2.377   1.876
  247   1HG   LYS  44          2HG       LYS  44  12.277   4.897   2.275
  248   2HG   LYS  44          1HG       LYS  44  12.537   4.450   3.962
  249   1HD   LYS  44          2HD       LYS  44  14.296   2.869   3.292
  250   2HD   LYS  44          1HD       LYS  44  14.024   3.271   1.596
  251   1HE   LYS  44          2HE       LYS  44  15.478   4.975   1.801
  252   2HE   LYS  44          1HE       LYS  44  14.386   5.729   2.961
  253   1HZ   LYS  44          3HZ       LYS  44  15.419   4.297   4.687
  254   2HZ   LYS  44          2HZ       LYS  44  16.569   3.806   3.538
  255   3HZ   LYS  44          1HZ       LYS  44  16.481   5.434   4.011
  256    H    ARG  45           H        ARG  45  10.107   1.298   1.296
  257    HA   ARG  45           HA       ARG  45   7.522   0.345   1.527
  258   1HB   ARG  45          2HB       ARG  45  10.137  -0.841   1.016
  259   2HB   ARG  45          1HB       ARG  45   9.059  -1.968   1.839
  260   1HG   ARG  45          2HG       ARG  45   7.585  -0.559  -0.194
  261   2HG   ARG  45          1HG       ARG  45   9.041  -1.257  -0.907
  262   1HD   ARG  45          2HD       ARG  45   8.463  -3.454  -0.198
  263   2HD   ARG  45          1HD       ARG  45   7.224  -2.854   0.904
  264    HE   ARG  45           HE       ARG  45   6.977  -2.873  -2.072
  265   1HH1  ARG  45           HH2      ARG  45   5.555  -1.146   0.308
  266   2HH1  ARG  45           HH2      ARG  45   3.969  -1.827   0.159
  267   1HH2  ARG  45           HH1      ARG  45   4.986  -4.403  -1.930
  268   2HH2  ARG  45           HH1      ARG  45   3.648  -3.674  -1.108
  269    H    ARG  46           H        ARG  46   6.257  -0.123   3.259
  270    HA   ARG  46           HA       ARG  46   6.884  -1.794   5.406
  271   1HB   ARG  46          2HB       ARG  46   8.224   0.728   5.644
  272   2HB   ARG  46          1HB       ARG  46   6.991   0.634   6.902
  273   1HG   ARG  46          2HG       ARG  46   7.909  -1.337   7.821
  274   2HG   ARG  46          1HG       ARG  46   8.847  -1.682   6.369
  275   1HD   ARG  46          2HD       ARG  46  10.510  -0.194   6.921
  276   2HD   ARG  46          1HD       ARG  46   9.401   0.901   7.745
  277    HE   ARG  46           HE       ARG  46  10.779  -1.395   8.957
  278   1HH1  ARG  46           HH2      ARG  46   8.032  -1.790   9.853
  279   2HH1  ARG  46           HH2      ARG  46   7.895  -0.740  11.225
  280   1HH2  ARG  46           HH1      ARG  46  10.696   1.132  10.406
  281   2HH2  ARG  46           HH1      ARG  46   9.405   0.913  11.539
  282    H    TYR  47           H        TYR  47   5.380  -1.256   7.396
  283    HA   TYR  47           HA       TYR  47   2.904   0.076   6.395
  284   1HB   TYR  47          2HB       TYR  47   2.177  -1.897   8.306
  285   2HB   TYR  47          1HB       TYR  47   1.789  -1.881   6.588
  286    HD1  TYR  47           HD2      TYR  47   3.756  -2.653   4.994
  287    HD2  TYR  47           HD1      TYR  47   3.445  -3.650   9.159
  288    HE1  TYR  47           HE2      TYR  47   5.257  -4.600   4.638
  289    HE2  TYR  47           HE1      TYR  47   4.946  -5.595   8.807
  290    HH   TYR  47           HH       TYR  47   5.500  -7.043   6.206
  291    H    ASN  48           H        ASN  48   5.230   0.821   8.238
  292    HA   ASN  48           HA       ASN  48   3.835   1.042  10.819
  293   1HB   ASN  48          2HB       ASN  48   6.602   1.114   9.917
  294   2HB   ASN  48          1HB       ASN  48   6.237   2.468  10.988
  295   1HD2  ASN  48           HD2      ASN  48   5.433  -1.238  12.588
  296   2HD2  ASN  48           HD2      ASN  48   4.950  -0.902  10.996
  297    H    ILE  49           H        ILE  49   4.731   3.010   8.067
  298    HA   ILE  49           HA       ILE  49   4.304   5.552   9.352
  299    HB   ILE  49           HB       ILE  49   4.827   6.485   7.351
  300   1HG1  ILE  49          2HG1      ILE  49   2.489   5.909   6.477
  301   2HG1  ILE  49          1HG1      ILE  49   3.756   6.069   5.264
  302   1HG2  ILE  49          3HG2      ILE  49   6.361   4.508   7.548
  303   2HG2  ILE  49          2HG2      ILE  49   5.290   3.635   6.451
  304   3HG2  ILE  49          1HG2      ILE  49   6.131   5.077   5.895
  305   1HD1  ILE  49           HD1      ILE  49   3.615   3.359   6.306
  306   2HD1  ILE  49           HD1      ILE  49   2.080   3.871   5.603
  307   3HD1  ILE  49           HD1      ILE  49   3.555   3.923   4.636
  308    H    ARG  50           H        ARG  50   2.193   3.199   7.827
  309    HA   ARG  50           HA       ARG  50  -0.147   4.765   7.528
  310   1HB   ARG  50          2HB       ARG  50   0.308   1.853   8.196
  311   2HB   ARG  50          1HB       ARG  50  -1.325   2.516   8.113
  312   1HG   ARG  50          2HG       ARG  50  -0.632   3.446   5.807
  313   2HG   ARG  50          1HG       ARG  50   0.732   2.333   5.913
  314   1HD   ARG  50          2HD       ARG  50  -1.159   0.585   6.535
  315   2HD   ARG  50          1HD       ARG  50  -2.191   1.728   5.675
  316    HE   ARG  50           HE       ARG  50   0.269   0.836   4.289
  317   1HH1  ARG  50           HH2      ARG  50  -2.763  -0.410   5.006
  318   2HH1  ARG  50           HH2      ARG  50  -3.249  -0.647   3.360
  319   1HH2  ARG  50           HH1      ARG  50  -0.511   1.015   2.033
  320   2HH2  ARG  50           HH1      ARG  50  -1.974   0.159   1.676
  321    H    SER  51           H        SER  51   1.183   3.112  10.377
  322    HA   SER  51           HA       SER  51  -0.987   3.869  12.134
  323   1HB   SER  51          2HB       SER  51   0.644   2.016  12.610
  324   2HB   SER  51          1HB       SER  51   1.894   3.233  12.850
  325    HG   SER  51           HG       SER  51   0.494   4.135  14.482
  326    H    HIS  52           H        HIS  52   1.979   5.354  11.025
  327    HA   HIS  52           HA       HIS  52   2.217   7.423  12.963
  328   1HB   HIS  52          2HB       HIS  52   4.089   7.570  11.664
  329   2HB   HIS  52          1HB       HIS  52   3.289   6.818  10.291
  330    HD1  HIS  52           HD1      HIS  52   4.699   9.956  11.333
  331    HD2  HIS  52           HD2      HIS  52   1.478   8.873   8.912
  332    HE1  HIS  52           HE1      HIS  52   4.107  12.003   9.968
  333    H    ILE  53           H        ILE  53   0.418   7.347   9.901
  334    HA   ILE  53           HA       ILE  53  -0.610  10.028  10.335
  335    HB   ILE  53           HB       ILE  53  -2.404   9.111   8.595
  336   1HG1  ILE  53          2HG1      ILE  53  -0.050   7.231   8.213
  337   2HG1  ILE  53          1HG1      ILE  53  -1.661   6.752   8.757
  338   1HG2  ILE  53          3HG2      ILE  53  -0.099  10.595   8.492
  339   2HG2  ILE  53          2HG2      ILE  53   0.223   9.326   7.310
  340   3HG2  ILE  53          1HG2      ILE  53  -1.205  10.349   7.142
  341   1HD1  ILE  53           HD1      ILE  53  -2.551   7.818   6.626
  342   2HD1  ILE  53           HD1      ILE  53  -0.876   7.924   6.087
  343   3HD1  ILE  53           HD1      ILE  53  -1.603   6.348   6.401
  344    H    GLN  54           H        GLN  54  -1.546   6.824  11.322
  345    HA   GLN  54           HA       GLN  54  -4.278   7.413  11.890
  346   1HB   GLN  54          2HB       GLN  54  -2.441   5.264  12.446
  347   2HB   GLN  54          1HB       GLN  54  -3.313   5.674  13.925
  348   1HG   GLN  54          2HG       GLN  54  -4.878   4.261  13.022
  349   2HG   GLN  54          1HG       GLN  54  -5.371   5.734  12.185
  350   1HE2  GLN  54          2HE2      GLN  54  -3.317   4.614   9.237
  351   2HE2  GLN  54          1HE2      GLN  54  -3.214   5.927  10.308
  352    H    THR  55           H        THR  55  -1.323   8.379  13.476
  353    HA   THR  55           HA       THR  55  -2.868   9.234  15.841
  354    HB   THR  55           HB       THR  55  -0.310  10.281  16.117
  355    HG1  THR  55           HG1      THR  55   0.837   8.186  15.581
  356   1HG2  THR  55          2HG2      THR  55  -1.804   7.905  17.090
  357   2HG2  THR  55          1HG2      THR  55  -0.060   7.893  17.351
  358   3HG2  THR  55          3HG2      THR  55  -1.039   9.207  18.003
  359    H    HIS  56           H        HIS  56  -0.970  10.719  13.222
  360    HA   HIS  56           HA       HIS  56  -2.077  13.327  14.046
  361   1HB   HIS  56          2HB       HIS  56  -0.186  14.238  13.252
  362   2HB   HIS  56          1HB       HIS  56   0.435  12.603  13.250
  363    HD1  HIS  56           HD1      HIS  56  -1.053  15.195  10.916
  364    HD2  HIS  56           HD2      HIS  56   0.993  11.576  10.711
  365    HE1  HIS  56           HE1      HIS  56  -0.135  15.010   8.557
  366    H    LEU  57           H        LEU  57  -3.451  11.015  12.567
  367    HA   LEU  57           HA       LEU  57  -4.791  12.784  10.614
  368   1HB   LEU  57          2HB       LEU  57  -2.951  10.890   9.741
  369   2HB   LEU  57          1HB       LEU  57  -4.503  10.073   9.556
  370    HG   LEU  57           HG       LEU  57  -4.248  12.909   8.630
  371   1HD1  LEU  57           HD1      LEU  57  -3.108  10.455   7.284
  372   2HD1  LEU  57           HD1      LEU  57  -3.599  11.874   6.360
  373   3HD1  LEU  57           HD1      LEU  57  -2.322  12.008   7.568
  374   1HD2  LEU  57           HD2      LEU  57  -6.132  10.741   8.472
  375   2HD2  LEU  57           HD2      LEU  57  -6.319  12.399   7.900
  376   3HD2  LEU  57           HD2      LEU  57  -5.621  11.175   6.841
  377    H    GLU  58           H        GLU  58  -4.999  10.629  13.170
  378    HA   GLU  58           HA       GLU  58  -7.866  10.177  12.562
  379   1HB   GLU  58          2HB       GLU  58  -6.064   8.139  12.300
  380   2HB   GLU  58          1HB       GLU  58  -6.532   7.966  13.992
  381   1HG   GLU  58          2HG       GLU  58  -8.954   8.121  13.203
  382   2HG   GLU  58          1HG       GLU  58  -8.333   7.936  11.562
  383    H    ASP  59           H        ASP  59  -7.789  12.101  14.107
  384    HA   ASP  59           HA       ASP  59  -7.232  11.323  16.917
  385   1HB   ASP  59          2HB       ASP  59  -7.929  13.979  15.634
  386   2HB   ASP  59          1HB       ASP  59  -7.700  13.755  17.369
  387    H    ARG  60           H        ARG  60  -9.499  10.143  15.502
  388    HA   ARG  60           HA       ARG  60 -11.597  10.916  17.426
  389   1HB   ARG  60          2HB       ARG  60 -11.677  11.562  14.544
  390   2HB   ARG  60          1HB       ARG  60 -13.126  10.766  15.163
  391   1HG   ARG  60          2HG       ARG  60 -13.416  12.455  16.861
  392   2HG   ARG  60          1HG       ARG  60 -11.852  13.177  16.482
  393   1HD   ARG  60          2HD       ARG  60 -14.366  13.182  14.811
  394   2HD   ARG  60          1HD       ARG  60 -13.427  14.564  15.376
  395    HE   ARG  60           HE       ARG  60 -11.622  13.782  13.776
  396   1HH1  ARG  60           HH1      ARG  60 -12.023  11.443  12.521
  397   2HH1  ARG  60           HH1      ARG  60 -13.155  11.698  11.233
  398   1HH2  ARG  60           HH2      ARG  60 -14.329  14.702  12.505
  399   2HH2  ARG  60           HH2      ARG  60 -14.460  13.542  11.225
   
  No H/Q in entry =         399
  Start of MODEL    9
    1   1H    THR  14          1H        THR  14 -18.252   2.274   9.217
    2   2H    THR  14          3H        THR  14 -18.361   1.746   7.610
    3   3H    THR  14          2H        THR  14 -17.854   0.671   8.823
    4    HA   THR  14           HA       THR  14 -15.850   1.222   7.895
    5    HB   THR  14           HB       THR  14 -15.350   3.536   7.117
    6    HG1  THR  14           HG1      THR  14 -17.197   4.246   8.656
    7   1HG2  THR  14          2HG2      THR  14 -16.916   1.616   5.899
    8   2HG2  THR  14          1HG2      THR  14 -17.898   3.072   5.740
    9   3HG2  THR  14          3HG2      THR  14 -16.254   3.043   5.102
   10    H    LEU  15           H        LEU  15 -14.030   2.846   8.736
   11    HA   LEU  15           HA       LEU  15 -14.199   4.376  11.028
   12   1HB   LEU  15          2HB       LEU  15 -14.887   1.655  11.627
   13   2HB   LEU  15          1HB       LEU  15 -13.377   2.061  12.442
   14    HG   LEU  15           HG       LEU  15 -15.135   4.297  12.697
   15   1HD1  LEU  15           HD1      LEU  15 -16.496   1.726  12.693
   16   2HD1  LEU  15           HD1      LEU  15 -16.637   2.523  14.260
   17   3HD1  LEU  15           HD1      LEU  15 -17.179   3.349  12.799
   18   1HD2  LEU  15           HD2      LEU  15 -13.237   3.206  14.185
   19   2HD2  LEU  15           HD2      LEU  15 -14.547   4.112  14.942
   20   3HD2  LEU  15           HD2      LEU  15 -14.594   2.350  14.915
   21    HA   PRO  16           HA       PRO  16  -9.842   2.503  10.819
   22   1HB   PRO  16          2HB       PRO  16  -9.489   0.272   9.272
   23   2HB   PRO  16          1HB       PRO  16  -9.926   0.215  10.987
   24   1HG   PRO  16          2HG       PRO  16 -11.627  -0.321   8.601
   25   2HG   PRO  16          1HG       PRO  16 -11.790  -0.930  10.257
   26   1HD   PRO  16          2HD       PRO  16 -13.291   1.173   9.095
   27   2HD   PRO  16          1HD       PRO  16 -13.233   0.751  10.819
   28    H    ARG  17           H        ARG  17  -8.111   2.838   9.275
   29    HA   ARG  17           HA       ARG  17  -7.336   4.174   7.476
   30   1HB   ARG  17          2HB       ARG  17  -7.226   2.883   5.490
   31   2HB   ARG  17          1HB       ARG  17  -7.306   1.703   6.795
   32   1HG   ARG  17          2HG       ARG  17  -9.225   0.848   5.983
   33   2HG   ARG  17          1HG       ARG  17  -9.977   2.439   5.940
   34   1HD   ARG  17          2HD       ARG  17  -7.999   2.239   3.851
   35   2HD   ARG  17          1HD       ARG  17  -9.136   0.896   3.735
   36    HE   ARG  17           HE       ARG  17 -10.779   3.082   4.095
   37   1HH1  ARG  17           HH2      ARG  17  -8.704   1.739   1.748
   38   2HH1  ARG  17           HH2      ARG  17  -9.065   2.920   0.533
   39   1HH2  ARG  17           HH1      ARG  17 -11.037   4.857   2.627
   40   2HH2  ARG  17           HH1      ARG  17 -10.387   4.686   1.032
   41    H    GLY  18           H        GLY  18  -9.775   5.252   8.407
   42   1HA   GLY  18          2HA       GLY  18 -11.661   5.637   6.255
   43   2HA   GLY  18          1HA       GLY  18 -11.564   6.613   7.721
   44    H    SER  19           H        SER  19  -8.957   7.607   7.510
   45    HA   SER  19           HA       SER  19  -8.986   9.059   4.911
   46   1HB   SER  19          2HB       SER  19  -8.291  10.382   7.533
   47   2HB   SER  19          1HB       SER  19  -8.617  11.151   5.983
   48    HG   SER  19           HG       SER  19 -10.772  10.251   6.176
   49    H    ILE  20           H        ILE  20  -7.340   6.813   6.243
   50    HA   ILE  20           HA       ILE  20  -4.677   8.097   6.318
   51    HB   ILE  20           HB       ILE  20  -5.005   5.142   6.567
   52   1HG1  ILE  20          2HG1      ILE  20  -6.919   5.963   7.849
   53   2HG1  ILE  20          1HG1      ILE  20  -5.660   5.430   8.960
   54   1HG2  ILE  20          1HG2      ILE  20  -2.854   6.595   6.801
   55   2HG2  ILE  20          3HG2      ILE  20  -3.511   7.027   8.379
   56   3HG2  ILE  20          2HG2      ILE  20  -3.155   5.342   8.004
   57   1HD1  ILE  20           HD1      ILE  20  -5.803   8.299   8.062
   58   2HD1  ILE  20           HD1      ILE  20  -6.786   7.724   9.409
   59   3HD1  ILE  20           HD1      ILE  20  -5.027   7.631   9.498
   60    H    ASP  21           H        ASP  21  -6.458   5.632   4.504
   61    HA   ASP  21           HA       ASP  21  -4.299   5.073   2.665
   62   1HB   ASP  21          2HB       ASP  21  -7.236   4.486   2.762
   63   2HB   ASP  21          1HB       ASP  21  -6.389   4.286   1.228
   64    H    LYS  22           H        LYS  22  -6.532   7.651   2.988
   65    HA   LYS  22           HA       LYS  22  -6.341   8.459   0.157
   66   1HB   LYS  22          2HB       LYS  22  -8.399   8.759   1.716
   67   2HB   LYS  22          1HB       LYS  22  -7.505  10.127   2.382
   68   1HG   LYS  22          2HG       LYS  22  -7.287  10.378  -0.414
   69   2HG   LYS  22          1HG       LYS  22  -8.971   9.954  -0.109
   70   1HD   LYS  22          2HD       LYS  22  -7.739  11.998   1.677
   71   2HD   LYS  22          1HD       LYS  22  -8.103  12.488   0.022
   72   1HE   LYS  22          2HE       LYS  22 -10.293  10.957   1.163
   73   2HE   LYS  22          1HE       LYS  22  -9.913  12.362   2.160
   74   1HZ   LYS  22          3HZ       LYS  22  -9.997  12.766  -0.727
   75   2HZ   LYS  22          2HZ       LYS  22 -11.484  12.505   0.053
   76   3HZ   LYS  22          1HZ       LYS  22 -10.488  13.796   0.528
   77    H    TYR  23           H        TYR  23  -4.247   8.579   2.663
   78    HA   TYR  23           HA       TYR  23  -2.956  11.023   1.574
   79   1HB   TYR  23          2HB       TYR  23  -3.859  10.576   4.392
   80   2HB   TYR  23          1HB       TYR  23  -2.324  11.407   4.137
   81    HD1  TYR  23           HD2      TYR  23  -2.669  13.000   1.781
   82    HD2  TYR  23           HD1      TYR  23  -5.528  12.134   4.868
   83    HE1  TYR  23           HE2      TYR  23  -3.890  15.089   1.236
   84    HE2  TYR  23           HE1      TYR  23  -6.749  14.223   4.323
   85    HH   TYR  23           HH       TYR  23  -6.618  15.789   1.666
   86    H    VAL  24           H        VAL  24  -2.371   8.238   1.164
   87    HA   VAL  24           HA       VAL  24   0.297   8.101   2.509
   88    HB   VAL  24           HB       VAL  24  -1.670   5.863   1.960
   89   1HG1  VAL  24          1HG1      VAL  24   1.298   5.824   2.461
   90   2HG1  VAL  24          3HG1      VAL  24   0.287   4.493   3.025
   91   3HG1  VAL  24          2HG1      VAL  24   0.357   4.880   1.306
   92   1HG2  VAL  24          1HG2      VAL  24  -1.676   7.332   4.114
   93   2HG2  VAL  24          3HG2      VAL  24  -1.704   5.578   4.298
   94   3HG2  VAL  24          2HG2      VAL  24  -0.195   6.464   4.521
   95    H    LYS  25           H        LYS  25   1.846   8.320   0.972
   96    HA   LYS  25           HA       LYS  25   1.186   7.593  -1.830
   97   1HB   LYS  25          2HB       LYS  25   2.162   9.819  -1.442
   98   2HB   LYS  25          1HB       LYS  25   3.566   9.077  -0.676
   99   1HG   LYS  25          2HG       LYS  25   4.263   9.476  -2.906
  100   2HG   LYS  25          1HG       LYS  25   3.846   7.762  -2.878
  101   1HD   LYS  25          2HD       LYS  25   2.635   8.357  -4.736
  102   2HD   LYS  25          1HD       LYS  25   1.432   8.768  -3.513
  103   1HE   LYS  25          2HE       LYS  25   1.504  10.924  -4.141
  104   2HE   LYS  25          1HE       LYS  25   3.232  10.980  -3.792
  105   1HZ   LYS  25          2HZ       LYS  25   3.370   9.732  -6.063
  106   2HZ   LYS  25          1HZ       LYS  25   1.863  10.469  -6.333
  107   3HZ   LYS  25          3HZ       LYS  25   3.228  11.424  -6.016
  108    H    GLU  26           H        GLU  26   1.338   5.281  -1.551
  109    HA   GLU  26           HA       GLU  26   3.869   4.128  -0.610
  110   1HB   GLU  26          2HB       GLU  26   2.779   1.962  -1.320
  111   2HB   GLU  26          1HB       GLU  26   1.849   2.883  -0.136
  112   1HG   GLU  26          2HG       GLU  26   0.119   3.080  -1.561
  113   2HG   GLU  26          1HG       GLU  26   1.173   3.731  -2.818
  114    H    MET  27           H        MET  27   5.601   4.241  -1.966
  115    HA   MET  27           HA       MET  27   5.142   4.231  -4.889
  116   1HB   MET  27          2HB       MET  27   7.818   4.464  -3.513
  117   2HB   MET  27          1HB       MET  27   7.353   5.054  -5.108
  118   1HG   MET  27          2HG       MET  27   5.606   6.484  -3.774
  119   2HG   MET  27          1HG       MET  27   6.678   6.182  -2.406
  120   1HE   MET  27          3HE       MET  27   5.555   8.087  -4.897
  121   2HE   MET  27          2HE       MET  27   6.672   9.439  -5.069
  122   3HE   MET  27          1HE       MET  27   6.758   8.085  -6.193
  123    HA   PRO  28           HA       PRO  28   6.137  -0.070  -5.056
  124   1HB   PRO  28          2HB       PRO  28   6.448  -0.217  -7.790
  125   2HB   PRO  28          1HB       PRO  28   4.874  -0.189  -6.977
  126   1HG   PRO  28          2HG       PRO  28   6.264   2.003  -8.461
  127   2HG   PRO  28          1HG       PRO  28   4.528   1.716  -8.249
  128   1HD   PRO  28          2HD       PRO  28   6.028   3.616  -6.830
  129   2HD   PRO  28          1HD       PRO  28   4.440   2.990  -6.334
  130    H    ASP  29           H        ASP  29   8.185   2.515  -5.789
  131    HA   ASP  29           HA       ASP  29  10.474   0.837  -6.577
  132   1HB   ASP  29          2HB       ASP  29  11.684   3.098  -6.449
  133   2HB   ASP  29          1HB       ASP  29  10.425   2.957  -7.677
  134    H    LYS  30           H        LYS  30   8.969   0.964  -3.842
  135    HA   LYS  30           HA       LYS  30   9.647   0.391  -1.680
  136   1HB   LYS  30          2HB       LYS  30  12.450   1.066  -2.554
  137   2HB   LYS  30          1HB       LYS  30  11.976   0.093  -1.168
  138   1HG   LYS  30          2HG       LYS  30  11.278  -0.658  -4.015
  139   2HG   LYS  30          1HG       LYS  30  12.746  -1.218  -3.212
  140   1HD   LYS  30          2HD       LYS  30  11.599  -2.590  -1.761
  141   2HD   LYS  30          1HD       LYS  30  10.169  -1.556  -1.747
  142   1HE   LYS  30          2HE       LYS  30   9.957  -3.810  -2.971
  143   2HE   LYS  30          1HE       LYS  30   9.420  -2.376  -3.845
  144   1HZ   LYS  30          3HZ       LYS  30  12.119  -3.585  -4.096
  145   2HZ   LYS  30          2HZ       LYS  30  10.841  -3.855  -5.181
  146   3HZ   LYS  30          1HZ       LYS  30  11.497  -2.297  -5.009
  147    H    THR  31           H        THR  31   8.469   2.704  -1.864
  148    HA   THR  31           HA       THR  31  10.060   4.465  -0.114
  149    HB   THR  31           HB       THR  31   8.657   5.761  -2.407
  150    HG1  THR  31           HG1      THR  31  11.322   4.804  -2.472
  151   1HG2  THR  31          1HG2      THR  31  10.316   6.539  -0.216
  152   2HG2  THR  31          3HG2      THR  31  11.170   6.905  -1.715
  153   3HG2  THR  31          2HG2      THR  31   9.560   7.567  -1.433
  154    H    PHE  32           H        PHE  32   8.532   6.473   0.421
  155    HA   PHE  32           HA       PHE  32   5.673   5.882   0.390
  156   1HB   PHE  32          2HB       PHE  32   7.357   5.147   2.700
  157   2HB   PHE  32          1HB       PHE  32   5.960   6.142   3.112
  158    HD1  PHE  32           HD2      PHE  32   3.657   5.402   2.424
  159    HD2  PHE  32           HD1      PHE  32   7.104   2.872   2.016
  160    HE1  PHE  32           HE2      PHE  32   2.178   3.424   2.186
  161    HE2  PHE  32           HE1      PHE  32   5.627   0.895   1.777
  162    HZ   PHE  32           HZ       PHE  32   3.164   1.171   1.862
  163    H    GLU  33           H        GLU  33   4.456   7.745   1.068
  164    HA   GLU  33           HA       GLU  33   5.954  10.064   2.100
  165   1HB   GLU  33          2HB       GLU  33   5.555   9.723  -0.684
  166   2HB   GLU  33          1HB       GLU  33   4.435  10.982  -0.164
  167   1HG   GLU  33          2HG       GLU  33   6.160  12.427  -0.136
  168   2HG   GLU  33          1HG       GLU  33   6.856  11.498   1.193
  169    H    CYS  34           H        CYS  34   4.575  10.286   3.846
  170    HA   CYS  34           HA       CYS  34   1.766   9.917   3.863
  171   1HB   CYS  34          2HB       CYS  34   3.285  10.245   5.866
  172   2HB   CYS  34          1HB       CYS  34   3.304  11.964   5.487
  173    H    LEU  35           H        LEU  35   0.554  10.891   2.270
  174    HA   LEU  35           HA       LEU  35   1.171  13.527   1.233
  175   1HB   LEU  35          2HB       LEU  35  -1.357  11.892   0.901
  176   2HB   LEU  35          1HB       LEU  35  -0.846  13.246  -0.107
  177    HG   LEU  35           HG       LEU  35   1.233  11.208   0.145
  178   1HD1  LEU  35           HD1      LEU  35  -1.046   9.927   0.248
  179   2HD1  LEU  35           HD1      LEU  35  -1.173  10.366  -1.456
  180   3HD1  LEU  35           HD1      LEU  35   0.184   9.388  -0.897
  181   1HD2  LEU  35           HD2      LEU  35   0.306  13.168  -1.678
  182   2HD2  LEU  35           HD2      LEU  35   1.721  12.129  -1.854
  183   3HD2  LEU  35           HD2      LEU  35   0.164  11.618  -2.507
  184    H    PHE  36           H        PHE  36   0.023  12.859   4.207
  185    HA   PHE  36           HA       PHE  36  -2.353  14.449   4.390
  186   1HB   PHE  36          2HB       PHE  36  -1.635  12.926   6.189
  187   2HB   PHE  36          1HB       PHE  36  -0.218  13.934   6.483
  188    HD1  PHE  36           HD2      PHE  36  -0.534  16.322   7.247
  189    HD2  PHE  36           HD1      PHE  36  -3.763  13.499   7.084
  190    HE1  PHE  36           HE2      PHE  36  -1.863  17.754   8.770
  191    HE2  PHE  36           HE1      PHE  36  -5.092  14.928   8.609
  192    HZ   PHE  36           HZ       PHE  36  -4.146  17.061   9.451
  193    HA   PRO  37           HA       PRO  37  -0.570  18.444   3.845
  194   1HB   PRO  37          2HB       PRO  37  -2.693  19.910   4.809
  195   2HB   PRO  37          1HB       PRO  37  -2.660  19.168   3.200
  196   1HG   PRO  37          2HG       PRO  37  -4.139  18.295   5.643
  197   2HG   PRO  37          1HG       PRO  37  -4.540  18.039   3.936
  198   1HD   PRO  37          2HD       PRO  37  -3.399  16.115   5.655
  199   2HD   PRO  37          1HD       PRO  37  -3.446  16.019   3.881
  200    H    GLY  38           H        GLY  38   1.050  18.991   5.221
  201   1HA   GLY  38          2HA       GLY  38   1.539  20.469   7.194
  202   2HA   GLY  38          1HA       GLY  38   0.349  19.511   8.083
  203    H    CYS  39           H        CYS  39   1.404  17.100   6.489
  204    HA   CYS  39           HA       CYS  39   3.249  16.171   8.511
  205   1HB   CYS  39          2HB       CYS  39   1.660  14.793   6.995
  206   2HB   CYS  39          1HB       CYS  39   2.935  14.924   5.784
  207    H    THR  40           H        THR  40   5.464  15.274   7.837
  208    HA   THR  40           HA       THR  40   6.784  16.573   5.580
  209    HB   THR  40           HB       THR  40   8.160  17.271   8.097
  210    HG1  THR  40           HG1      THR  40   5.951  18.836   7.342
  211   1HG2  THR  40          1HG2      THR  40   7.431  18.749   5.554
  212   2HG2  THR  40          3HG2      THR  40   8.428  19.420   6.844
  213   3HG2  THR  40          2HG2      THR  40   8.989  18.016   5.936
  214    H    LYS  41           H        LYS  41   6.335  13.866   6.832
  215    HA   LYS  41           HA       LYS  41   9.222  13.094   6.971
  216   1HB   LYS  41          2HB       LYS  41   8.114  13.031   9.224
  217   2HB   LYS  41          1HB       LYS  41   6.992  11.829   8.587
  218   1HG   LYS  41          2HG       LYS  41   8.508  10.255   9.137
  219   2HG   LYS  41          1HG       LYS  41   9.529  10.896   7.849
  220   1HD   LYS  41          2HD       LYS  41  10.775  10.853   9.961
  221   2HD   LYS  41          1HD       LYS  41  10.503  12.520   9.453
  222   1HE   LYS  41          2HE       LYS  41   8.628  12.732  10.993
  223   2HE   LYS  41          1HE       LYS  41   8.758  11.030  11.434
  224   1HZ   LYS  41          2HZ       LYS  41  11.259  12.300  11.743
  225   2HZ   LYS  41          1HZ       LYS  41  10.074  13.177  12.587
  226   3HZ   LYS  41          3HZ       LYS  41  10.303  11.528  12.917
  227    H    THR  42           H        THR  42   9.684  11.752   5.308
  228    HA   THR  42           HA       THR  42   7.472  10.094   4.172
  229    HB   THR  42           HB       THR  42   8.532  10.197   2.086
  230    HG1  THR  42           HG1      THR  42  10.803  11.217   2.199
  231   1HG2  THR  42          3HG2      THR  42   7.839  12.498   3.236
  232   2HG2  THR  42          2HG2      THR  42   9.562  12.826   3.049
  233   3HG2  THR  42          1HG2      THR  42   8.577  12.456   1.634
  234    H    PHE  43           H        PHE  43   8.009   7.862   3.601
  235    HA   PHE  43           HA       PHE  43  10.439   6.818   4.992
  236   1HB   PHE  43          2HB       PHE  43   7.928   5.190   5.000
  237   2HB   PHE  43          1HB       PHE  43   9.246   5.219   6.170
  238    HD1  PHE  43           HD1      PHE  43   6.508   7.385   4.801
  239    HD2  PHE  43           HD2      PHE  43   8.992   6.415   8.169
  240    HE1  PHE  43           HE1      PHE  43   5.221   8.971   6.207
  241    HE2  PHE  43           HE2      PHE  43   7.705   8.002   9.575
  242    HZ   PHE  43           HZ       PHE  43   5.817   9.278   8.593
  243    H    LYS  44           H        LYS  44   9.787   4.069   4.326
  244    HA   LYS  44           HA       LYS  44   9.309   3.854   1.478
  245   1HB   LYS  44          2HB       LYS  44  11.704   3.013   1.022
  246   2HB   LYS  44          1HB       LYS  44  11.477   4.757   1.148
  247   1HG   LYS  44          2HG       LYS  44  12.721   4.901   3.037
  248   2HG   LYS  44          1HG       LYS  44  11.991   3.453   3.731
  249   1HD   LYS  44          2HD       LYS  44  13.939   3.238   1.444
  250   2HD   LYS  44          1HD       LYS  44  14.515   3.374   3.107
  251   1HE   LYS  44          2HE       LYS  44  13.811   1.277   3.661
  252   2HE   LYS  44          1HE       LYS  44  12.349   1.402   2.682
  253   1HZ   LYS  44          3HZ       LYS  44  14.731   1.392   1.100
  254   2HZ   LYS  44          2HZ       LYS  44  14.589  -0.011   2.046
  255   3HZ   LYS  44          1HZ       LYS  44  13.346   0.423   0.971
  256    H    ARG  45           H        ARG  45   8.795   1.745   1.001
  257    HA   ARG  45           HA       ARG  45   8.169  -0.465   1.545
  258   1HB   ARG  45          2HB       ARG  45  10.595  -0.607   0.835
  259   2HB   ARG  45          1HB       ARG  45  11.027  -0.575   2.546
  260   1HG   ARG  45          2HG       ARG  45  10.925  -2.882   2.016
  261   2HG   ARG  45          1HG       ARG  45   9.383  -2.549   2.806
  262   1HD   ARG  45          2HD       ARG  45   9.262  -2.035  -0.061
  263   2HD   ARG  45          1HD       ARG  45   9.722  -3.702   0.287
  264    HE   ARG  45           HE       ARG  45   7.631  -3.886   1.632
  265   1HH1  ARG  45           HH1      ARG  45   6.225  -1.777   2.334
  266   2HH1  ARG  45           HH1      ARG  45   5.333  -1.189   0.971
  267   1HH2  ARG  45           HH2      ARG  45   7.263  -2.884  -1.360
  268   2HH2  ARG  45           HH2      ARG  45   5.922  -1.815  -1.120
  269    H    ARG  46           H        ARG  46   6.848   0.602   3.375
  270    HA   ARG  46           HA       ARG  46   7.217  -0.935   5.779
  271   1HB   ARG  46          2HB       ARG  46   8.748   1.414   5.687
  272   2HB   ARG  46          1HB       ARG  46   7.350   1.823   6.683
  273   1HG   ARG  46          2HG       ARG  46   8.214   0.657   8.399
  274   2HG   ARG  46          1HG       ARG  46   8.232  -0.802   7.409
  275   1HD   ARG  46          2HD       ARG  46  10.406  -0.029   6.417
  276   2HD   ARG  46          1HD       ARG  46  10.403   1.305   7.570
  277    HE   ARG  46           HE       ARG  46  10.265  -0.640   9.329
  278   1HH1  ARG  46           HH2      ARG  46  10.697  -2.552   6.909
  279   2HH1  ARG  46           HH2      ARG  46  12.381  -2.909   7.107
  280   1HH2  ARG  46           HH1      ARG  46  12.946  -0.302   9.321
  281   2HH2  ARG  46           HH1      ARG  46  13.654  -1.636   8.473
  282    H    TYR  47           H        TYR  47   5.184  -1.216   6.553
  283    HA   TYR  47           HA       TYR  47   3.089   0.720   5.718
  284   1HB   TYR  47          2HB       TYR  47   1.934  -1.466   7.126
  285   2HB   TYR  47          1HB       TYR  47   1.828  -1.126   5.402
  286    HD1  TYR  47           HD1      TYR  47   3.624  -3.007   8.016
  287    HD2  TYR  47           HD2      TYR  47   3.274  -2.236   3.806
  288    HE1  TYR  47           HE1      TYR  47   5.027  -5.000   7.533
  289    HE2  TYR  47           HE2      TYR  47   4.678  -4.227   3.321
  290    HH   TYR  47           HH       TYR  47   5.608  -6.474   5.846
  291    H    ASN  48           H        ASN  48   5.113   0.901   8.026
  292    HA   ASN  48           HA       ASN  48   3.275   0.906  10.323
  293   1HB   ASN  48          2HB       ASN  48   6.167   1.791  10.328
  294   2HB   ASN  48          1HB       ASN  48   5.205   1.221  11.692
  295   1HD2  ASN  48           HD2      ASN  48   5.284  -2.237  10.390
  296   2HD2  ASN  48           HD2      ASN  48   4.106  -1.128  10.904
  297    H    ILE  49           H        ILE  49   4.625   3.026   7.988
  298    HA   ILE  49           HA       ILE  49   4.419   5.477   9.489
  299    HB   ILE  49           HB       ILE  49   5.200   6.487   7.614
  300   1HG1  ILE  49          2HG1      ILE  49   2.896   6.470   6.620
  301   2HG1  ILE  49          1HG1      ILE  49   4.181   6.357   5.418
  302   1HG2  ILE  49          3HG2      ILE  49   6.402   4.277   7.628
  303   2HG2  ILE  49          2HG2      ILE  49   5.258   3.715   6.408
  304   3HG2  ILE  49          1HG2      ILE  49   6.338   5.059   6.048
  305   1HD1  ILE  49           HD1      ILE  49   3.489   3.717   6.315
  306   2HD1  ILE  49           HD1      ILE  49   2.026   4.565   5.815
  307   3HD1  ILE  49           HD1      ILE  49   3.374   4.396   4.690
  308    H    ARG  50           H        ARG  50   2.169   3.519   7.645
  309    HA   ARG  50           HA       ARG  50   0.033   5.364   7.376
  310   1HB   ARG  50          2HB       ARG  50   0.211   2.380   7.642
  311   2HB   ARG  50          1HB       ARG  50  -1.373   3.149   7.752
  312   1HG   ARG  50          2HG       ARG  50  -0.464   4.428   5.579
  313   2HG   ARG  50          1HG       ARG  50   0.474   2.943   5.421
  314   1HD   ARG  50          2HD       ARG  50  -2.539   3.169   5.640
  315   2HD   ARG  50          1HD       ARG  50  -1.618   2.644   4.232
  316    HE   ARG  50           HE       ARG  50  -1.692   1.090   6.790
  317   1HH1  ARG  50           HH2      ARG  50   0.362   0.274   4.801
  318   2HH1  ARG  50           HH2      ARG  50  -0.466  -0.937   3.880
  319   1HH2  ARG  50           HH1      ARG  50  -3.616   0.005   4.982
  320   2HH2  ARG  50           HH1      ARG  50  -2.720  -1.088   3.982
  321    H    SER  51           H        SER  51   1.002   3.294  10.098
  322    HA   SER  51           HA       SER  51  -1.178   3.980  11.823
  323   1HB   SER  51          2HB       SER  51   1.411   2.635  12.066
  324   2HB   SER  51          1HB       SER  51   1.012   3.583  13.496
  325    HG   SER  51           HG       SER  51  -1.187   2.478  13.065
  326    H    HIS  52           H        HIS  52   2.059   5.374  11.365
  327    HA   HIS  52           HA       HIS  52   1.957   7.392  13.331
  328   1HB   HIS  52          2HB       HIS  52   4.007   7.655  12.362
  329   2HB   HIS  52          1HB       HIS  52   3.475   6.867  10.883
  330    HD1  HIS  52           HD1      HIS  52   4.731  10.004  11.983
  331    HD2  HIS  52           HD2      HIS  52   1.734   8.903   9.309
  332    HE1  HIS  52           HE1      HIS  52   4.247  12.045  10.563
  333    H    ILE  53           H        ILE  53   0.524   7.282  10.122
  334    HA   ILE  53           HA       ILE  53  -0.449   9.983  10.097
  335    HB   ILE  53           HB       ILE  53  -1.584   7.498   8.747
  336   1HG1  ILE  53          2HG1      ILE  53   0.576   9.454   7.933
  337   2HG1  ILE  53          1HG1      ILE  53   0.698   7.700   8.061
  338   1HG2  ILE  53          2HG2      ILE  53  -3.028   9.585   8.846
  339   2HG2  ILE  53          1HG2      ILE  53  -1.795  10.377   7.867
  340   3HG2  ILE  53          3HG2      ILE  53  -2.667   8.983   7.230
  341   1HD1  ILE  53           HD1      ILE  53  -1.114   9.134   6.096
  342   2HD1  ILE  53           HD1      ILE  53   0.486   8.512   5.694
  343   3HD1  ILE  53           HD1      ILE  53  -0.798   7.401   6.170
  344    H    GLN  54           H        GLN  54  -2.286   6.966  10.546
  345    HA   GLN  54           HA       GLN  54  -4.689   7.924  11.445
  346   1HB   GLN  54          2HB       GLN  54  -3.250   5.460  11.703
  347   2HB   GLN  54          1HB       GLN  54  -4.005   5.827  13.255
  348   1HG   GLN  54          2HG       GLN  54  -6.097   5.486  12.447
  349   2HG   GLN  54          1HG       GLN  54  -5.748   6.335  10.940
  350   1HE2  GLN  54          2HE2      GLN  54  -4.179   3.252   9.563
  351   2HE2  GLN  54          1HE2      GLN  54  -3.676   4.849   9.843
  352    H    THR  55           H        THR  55  -1.642   8.059  13.199
  353    HA   THR  55           HA       THR  55  -3.009   8.813  15.676
  354    HB   THR  55           HB       THR  55  -0.778   9.135  16.597
  355    HG1  THR  55           HG1      THR  55   0.962   9.329  15.330
  356   1HG2  THR  55          1HG2      THR  55  -1.587   6.739  15.185
  357   2HG2  THR  55          3HG2      THR  55   0.170   6.872  15.227
  358   3HG2  THR  55          2HG2      THR  55  -0.751   6.890  16.731
  359    H    HIS  56           H        HIS  56  -1.104  10.481  13.182
  360    HA   HIS  56           HA       HIS  56  -1.956  13.033  14.383
  361   1HB   HIS  56          2HB       HIS  56  -0.053  13.919  13.576
  362   2HB   HIS  56          1HB       HIS  56   0.457  12.252  13.458
  363    HD1  HIS  56           HD1      HIS  56  -1.036  14.995  11.263
  364    HD2  HIS  56           HD2      HIS  56   1.144  11.471  10.939
  365    HE1  HIS  56           HE1      HIS  56  -0.045  14.967   8.925
  366    H    LEU  57           H        LEU  57  -3.616  11.088  12.805
  367    HA   LEU  57           HA       LEU  57  -4.758  13.106  10.951
  368   1HB   LEU  57          2HB       LEU  57  -3.776  10.424  10.287
  369   2HB   LEU  57          1HB       LEU  57  -5.436  10.704   9.773
  370    HG   LEU  57           HG       LEU  57  -4.526  12.970   8.867
  371   1HD1  LEU  57           HD1      LEU  57  -2.077  11.505   9.662
  372   2HD1  LEU  57           HD1      LEU  57  -2.032  12.233   8.057
  373   3HD1  LEU  57           HD1      LEU  57  -2.341  13.239   9.472
  374   1HD2  LEU  57           HD2      LEU  57  -4.602  10.273   7.779
  375   2HD2  LEU  57           HD2      LEU  57  -5.039  11.797   7.006
  376   3HD2  LEU  57           HD2      LEU  57  -3.365  11.243   6.980
  377    H    GLU  58           H        GLU  58  -5.196  10.548  13.301
  378    HA   GLU  58           HA       GLU  58  -8.099  10.426  12.887
  379   1HB   GLU  58          2HB       GLU  58  -6.840   8.425  13.629
  380   2HB   GLU  58          1HB       GLU  58  -6.374   9.277  15.103
  381   1HG   GLU  58          2HG       GLU  58  -8.249   8.125  15.849
  382   2HG   GLU  58          1HG       GLU  58  -8.981   9.647  15.341
  383    H    ASP  59           H        ASP  59  -5.815  11.935  15.129
  384    HA   ASP  59           HA       ASP  59  -8.105  13.519  16.213
  385   1HB   ASP  59          2HB       ASP  59  -5.921  12.074  17.699
  386   2HB   ASP  59          1HB       ASP  59  -6.655  13.520  18.393
  387    H    ARG  60           H        ARG  60  -4.594  13.570  16.847
  388    HA   ARG  60           HA       ARG  60  -4.449  16.207  15.470
  389   1HB   ARG  60          2HB       ARG  60  -3.405  15.662  18.267
  390   2HB   ARG  60          1HB       ARG  60  -3.217  17.169  17.369
  391   1HG   ARG  60          2HG       ARG  60  -5.894  16.886  17.191
  392   2HG   ARG  60          1HG       ARG  60  -5.618  16.062  18.726
  393   1HD   ARG  60          2HD       ARG  60  -4.056  18.487  18.620
  394   2HD   ARG  60          1HD       ARG  60  -5.750  18.848  18.289
  395    HE   ARG  60           HE       ARG  60  -4.778  17.481  20.762
  396   1HH1  ARG  60           HH2      ARG  60  -7.682  17.099  19.924
  397   2HH1  ARG  60           HH2      ARG  60  -8.461  18.348  20.836
  398   1HH2  ARG  60           HH1      ARG  60  -5.518  20.045  21.528
  399   2HH2  ARG  60           HH1      ARG  60  -7.236  20.017  21.744
   
  No H/Q in entry =         399
  Start of MODEL   10
    1   1H    THR  14          3H        THR  14 -10.974   3.987  16.866
    2   2H    THR  14          2H        THR  14  -9.992   5.333  17.197
    3   3H    THR  14          1H        THR  14 -11.678   5.442  17.375
    4    HA   THR  14           HA       THR  14 -11.170   6.530  15.360
    5    HB   THR  14           HB       THR  14  -9.701   4.012  14.531
    6    HG1  THR  14           HG1      THR  14  -8.867   6.370  15.795
    7   1HG2  THR  14          1HG2      THR  14 -10.134   6.745  13.329
    8   2HG2  THR  14          3HG2      THR  14  -8.782   5.725  12.834
    9   3HG2  THR  14          2HG2      THR  14 -10.439   5.167  12.602
   10    H    LEU  15           H        LEU  15 -13.395   6.351  15.041
   11    HA   LEU  15           HA       LEU  15 -14.672   3.819  14.437
   12   1HB   LEU  15          2HB       LEU  15 -15.493   6.565  14.895
   13   2HB   LEU  15          1HB       LEU  15 -16.357   5.858  13.531
   14    HG   LEU  15           HG       LEU  15 -16.050   4.345  16.120
   15   1HD1  LEU  15           HD1      LEU  15 -17.110   6.696  16.389
   16   2HD1  LEU  15           HD1      LEU  15 -18.456   6.039  15.459
   17   3HD1  LEU  15           HD1      LEU  15 -18.015   5.312  17.003
   18   1HD2  LEU  15           HD2      LEU  15 -16.828   3.291  13.919
   19   2HD2  LEU  15           HD2      LEU  15 -17.911   3.091  15.296
   20   3HD2  LEU  15           HD2      LEU  15 -18.269   4.299  14.062
   21    HA   PRO  16           HA       PRO  16 -14.672   5.482   9.995
   22   1HB   PRO  16          2HB       PRO  16 -13.327   7.818   9.509
   23   2HB   PRO  16          1HB       PRO  16 -15.035   7.751   9.974
   24   1HG   PRO  16          2HG       PRO  16 -12.680   8.573  11.601
   25   2HG   PRO  16          1HG       PRO  16 -14.380   9.040  11.771
   26   1HD   PRO  16          2HD       PRO  16 -13.006   7.114  13.337
   27   2HD   PRO  16          1HD       PRO  16 -14.760   7.390  13.307
   28    H    ARG  17           H        ARG  17 -13.194   4.778   8.406
   29    HA   ARG  17           HA       ARG  17 -10.318   4.740   9.181
   30   1HB   ARG  17          2HB       ARG  17 -10.154   2.483   8.154
   31   2HB   ARG  17          1HB       ARG  17 -11.264   2.498   9.526
   32   1HG   ARG  17          2HG       ARG  17 -12.742   3.195   7.178
   33   2HG   ARG  17          1HG       ARG  17 -11.814   1.736   6.832
   34   1HD   ARG  17          2HD       ARG  17 -13.327   0.547   7.996
   35   2HD   ARG  17          1HD       ARG  17 -12.841   1.419   9.450
   36    HE   ARG  17           HE       ARG  17 -14.680   2.974   9.070
   37   1HH1  ARG  17           HH2      ARG  17 -14.388   1.795   6.039
   38   2HH1  ARG  17           HH2      ARG  17 -16.035   1.300   5.835
   39   1HH2  ARG  17           HH1      ARG  17 -16.849   1.701   9.181
   40   2HH2  ARG  17           HH1      ARG  17 -17.428   1.246   7.613
   41    H    GLY  18           H        GLY  18 -11.735   6.608   7.458
   42   1HA   GLY  18          2HA       GLY  18 -10.365   5.968   4.876
   43   2HA   GLY  18          1HA       GLY  18 -11.952   6.738   4.914
   44    H    SER  19           H        SER  19  -9.539   7.556   7.300
   45    HA   SER  19           HA       SER  19  -9.263  10.219   5.991
   46   1HB   SER  19          2HB       SER  19  -9.645   9.382   8.814
   47   2HB   SER  19          1HB       SER  19  -8.532  10.719   8.542
   48    HG   SER  19           HG       SER  19 -10.441  11.366   7.040
   49    H    ILE  20           H        ILE  20  -7.613   7.437   6.347
   50    HA   ILE  20           HA       ILE  20  -5.004   8.866   6.488
   51    HB   ILE  20           HB       ILE  20  -5.748   6.189   7.685
   52   1HG1  ILE  20          2HG1      ILE  20  -4.262   8.177   9.259
   53   2HG1  ILE  20          1HG1      ILE  20  -5.853   8.740   8.741
   54   1HG2  ILE  20          2HG2      ILE  20  -3.113   7.368   6.905
   55   2HG2  ILE  20          1HG2      ILE  20  -3.199   6.483   8.427
   56   3HG2  ILE  20          3HG2      ILE  20  -3.627   5.681   6.916
   57   1HD1  ILE  20           HD1      ILE  20  -6.340   6.131   9.531
   58   2HD1  ILE  20           HD1      ILE  20  -5.158   6.692  10.711
   59   3HD1  ILE  20           HD1      ILE  20  -6.671   7.571  10.494
   60    H    ASP  21           H        ASP  21  -6.748   6.011   5.319
   61    HA   ASP  21           HA       ASP  21  -4.699   5.082   3.549
   62   1HB   ASP  21          2HB       ASP  21  -7.687   4.725   3.675
   63   2HB   ASP  21          1HB       ASP  21  -6.778   4.102   2.297
   64    H    LYS  22           H        LYS  22  -7.052   7.649   3.303
   65    HA   LYS  22           HA       LYS  22  -6.567   7.994   0.408
   66   1HB   LYS  22          2HB       LYS  22  -8.175   9.872   0.622
   67   2HB   LYS  22          1HB       LYS  22  -8.841   8.372   1.269
   68   1HG   LYS  22          2HG       LYS  22  -8.820   9.135   3.425
   69   2HG   LYS  22          1HG       LYS  22  -7.328  10.047   3.195
   70   1HD   LYS  22          2HD       LYS  22 -10.071  10.851   2.179
   71   2HD   LYS  22          1HD       LYS  22  -9.220  11.579   3.543
   72   1HE   LYS  22          2HE       LYS  22  -7.299  11.952   1.797
   73   2HE   LYS  22          1HE       LYS  22  -8.587  11.754   0.609
   74   1HZ   LYS  22          3HZ       LYS  22  -9.358  13.477   2.749
   75   2HZ   LYS  22          2HZ       LYS  22  -7.966  14.048   1.958
   76   3HZ   LYS  22          1HZ       LYS  22  -9.389  13.756   1.076
   77    H    TYR  23           H        TYR  23  -4.494   8.403   2.625
   78    HA   TYR  23           HA       TYR  23  -3.473  10.962   1.562
   79   1HB   TYR  23          2HB       TYR  23  -4.509  10.585   4.293
   80   2HB   TYR  23          1HB       TYR  23  -2.878  11.253   4.236
   81    HD1  TYR  23           HD2      TYR  23  -2.845  12.856   1.818
   82    HD2  TYR  23           HD1      TYR  23  -5.990  12.354   4.700
   83    HE1  TYR  23           HE2      TYR  23  -3.770  15.071   1.193
   84    HE2  TYR  23           HE1      TYR  23  -6.915  14.569   4.076
   85    HH   TYR  23           HH       TYR  23  -6.868  16.102   2.148
   86    H    VAL  24           H        VAL  24  -2.752   8.085   1.408
   87    HA   VAL  24           HA       VAL  24  -0.006   8.302   2.566
   88    HB   VAL  24           HB       VAL  24  -1.588   6.592   3.660
   89   1HG1  VAL  24          1HG1      VAL  24  -1.058   5.199   1.019
   90   2HG1  VAL  24          3HG1      VAL  24  -1.809   4.456   2.429
   91   3HG1  VAL  24          2HG1      VAL  24  -2.626   5.773   1.587
   92   1HG2  VAL  24          2HG2      VAL  24   1.117   5.977   2.484
   93   2HG2  VAL  24          1HG2      VAL  24   0.695   6.330   4.160
   94   3HG2  VAL  24          3HG2      VAL  24   0.275   4.769   3.454
   95    H    LYS  25           H        LYS  25   1.661   7.810   1.137
   96    HA   LYS  25           HA       LYS  25   0.812   6.985  -1.612
   97   1HB   LYS  25          2HB       LYS  25   2.332   9.263  -0.700
   98   2HB   LYS  25          1HB       LYS  25   3.330   8.261  -1.756
   99   1HG   LYS  25          2HG       LYS  25   0.700   8.418  -2.880
  100   2HG   LYS  25          1HG       LYS  25   1.246  10.053  -2.505
  101   1HD   LYS  25          2HD       LYS  25   3.503   8.838  -3.591
  102   2HD   LYS  25          1HD       LYS  25   2.179   8.225  -4.582
  103   1HE   LYS  25          2HE       LYS  25   1.639  10.310  -5.399
  104   2HE   LYS  25          1HE       LYS  25   2.165  11.136  -3.933
  105   1HZ   LYS  25          1HZ       LYS  25   4.487  10.432  -4.617
  106   2HZ   LYS  25          3HZ       LYS  25   3.826  10.078  -6.138
  107   3HZ   LYS  25          2HZ       LYS  25   3.760  11.664  -5.532
  108    H    GLU  26           H        GLU  26   1.677   5.091  -2.297
  109    HA   GLU  26           HA       GLU  26   4.020   4.007  -0.794
  110   1HB   GLU  26          2HB       GLU  26   2.014   2.585  -0.721
  111   2HB   GLU  26          1HB       GLU  26   1.943   2.576  -2.484
  112   1HG   GLU  26          2HG       GLU  26   4.587   1.822  -1.705
  113   2HG   GLU  26          1HG       GLU  26   3.446   0.848  -0.777
  114    H    MET  27           H        MET  27   5.861   4.516  -1.905
  115    HA   MET  27           HA       MET  27   5.828   4.774  -4.821
  116   1HB   MET  27          2HB       MET  27   7.341   5.911  -2.835
  117   2HB   MET  27          1HB       MET  27   8.443   4.690  -3.472
  118   1HG   MET  27          2HG       MET  27   8.714   5.795  -5.436
  119   2HG   MET  27          1HG       MET  27   6.996   6.175  -5.557
  120   1HE   MET  27          1HE       MET  27   5.899   8.166  -4.981
  121   2HE   MET  27          3HE       MET  27   6.769   9.706  -4.930
  122   3HE   MET  27          2HE       MET  27   6.993   8.608  -6.289
  123    HA   PRO  28           HA       PRO  28   6.824   0.507  -5.467
  124   1HB   PRO  28          2HB       PRO  28   7.407   0.740  -8.150
  125   2HB   PRO  28          1HB       PRO  28   5.760   0.664  -7.501
  126   1HG   PRO  28          2HG       PRO  28   7.276   3.033  -8.518
  127   2HG   PRO  28          1HG       PRO  28   5.529   2.729  -8.527
  128   1HD   PRO  28          2HD       PRO  28   6.856   4.407  -6.713
  129   2HD   PRO  28          1HD       PRO  28   5.236   3.718  -6.468
  130    H    ASP  29           H        ASP  29   8.932   3.159  -5.696
  131    HA   ASP  29           HA       ASP  29  11.281   1.507  -6.387
  132   1HB   ASP  29          2HB       ASP  29  12.532   3.642  -6.226
  133   2HB   ASP  29          1HB       ASP  29  11.161   3.784  -7.325
  134    H    LYS  30           H        LYS  30   9.539   1.353  -3.865
  135    HA   LYS  30           HA       LYS  30   9.970   0.710  -1.664
  136   1HB   LYS  30          2HB       LYS  30  12.635   0.701  -2.875
  137   2HB   LYS  30          1HB       LYS  30  12.670   1.123  -1.164
  138   1HG   LYS  30          2HG       LYS  30  12.503  -1.085  -0.737
  139   2HG   LYS  30          1HG       LYS  30  10.841  -0.981  -1.315
  140   1HD   LYS  30          2HD       LYS  30  11.387  -1.772  -3.441
  141   2HD   LYS  30          1HD       LYS  30  13.075  -1.280  -3.300
  142   1HE   LYS  30          2HE       LYS  30  12.322  -3.214  -1.246
  143   2HE   LYS  30          1HE       LYS  30  12.081  -3.848  -2.874
  144   1HZ   LYS  30          2HZ       LYS  30  14.557  -2.393  -2.369
  145   2HZ   LYS  30          1HZ       LYS  30  14.412  -3.927  -1.653
  146   3HZ   LYS  30          3HZ       LYS  30  14.278  -3.763  -3.336
  147    H    THR  31           H        THR  31   8.853   3.027  -1.799
  148    HA   THR  31           HA       THR  31  10.265   4.644   0.221
  149    HB   THR  31           HB       THR  31   9.143   6.076  -2.155
  150    HG1  THR  31           HG1      THR  31  11.798   5.139  -1.855
  151   1HG2  THR  31          2HG2      THR  31  10.786   6.678   0.226
  152   2HG2  THR  31          1HG2      THR  31  11.293   7.473  -1.263
  153   3HG2  THR  31          3HG2      THR  31   9.657   7.708  -0.652
  154    H    PHE  32           H        PHE  32   8.655   6.661   0.673
  155    HA   PHE  32           HA       PHE  32   5.825   5.979   0.345
  156   1HB   PHE  32          2HB       PHE  32   7.314   5.246   2.765
  157   2HB   PHE  32          1HB       PHE  32   5.911   6.261   3.102
  158    HD1  PHE  32           HD1      PHE  32   7.037   3.088   1.548
  159    HD2  PHE  32           HD2      PHE  32   3.670   5.457   2.774
  160    HE1  PHE  32           HE1      PHE  32   5.543   1.137   1.215
  161    HE2  PHE  32           HE2      PHE  32   2.176   3.506   2.441
  162    HZ   PHE  32           HZ       PHE  32   3.113   1.346   1.661
  163    H    GLU  33           H        GLU  33   4.486   7.788   0.841
  164    HA   GLU  33           HA       GLU  33   5.824  10.189   1.959
  165   1HB   GLU  33          2HB       GLU  33   6.153  10.369  -0.465
  166   2HB   GLU  33          1HB       GLU  33   4.425  10.128  -0.730
  167   1HG   GLU  33          2HG       GLU  33   3.889  12.193   0.392
  168   2HG   GLU  33          1HG       GLU  33   5.556  12.392   0.934
  169    H    CYS  34           H        CYS  34   4.488  10.735   3.601
  170    HA   CYS  34           HA       CYS  34   1.705  10.009   3.738
  171   1HB   CYS  34          2HB       CYS  34   3.244  10.529   5.689
  172   2HB   CYS  34          1HB       CYS  34   3.101  12.230   5.257
  173    H    LEU  35           H        LEU  35   0.359  10.830   2.183
  174    HA   LEU  35           HA       LEU  35   0.728  13.370   0.900
  175   1HB   LEU  35          2HB       LEU  35  -1.610  11.462   1.049
  176   2HB   LEU  35          1HB       LEU  35  -1.667  12.956   0.114
  177    HG   LEU  35           HG       LEU  35   0.719  11.234  -0.304
  178   1HD1  LEU  35           HD1      LEU  35  -2.094  10.405  -0.915
  179   2HD1  LEU  35           HD1      LEU  35  -0.834  10.037  -2.093
  180   3HD1  LEU  35           HD1      LEU  35  -0.713   9.413  -0.448
  181   1HD2  LEU  35           HD2      LEU  35  -0.629  13.409  -1.560
  182   2HD2  LEU  35           HD2      LEU  35   0.860  12.618  -2.077
  183   3HD2  LEU  35           HD2      LEU  35  -0.698  12.039  -2.668
  184    H    PHE  36           H        PHE  36  -0.231  12.835   4.058
  185    HA   PHE  36           HA       PHE  36  -2.479  14.557   4.344
  186   1HB   PHE  36          2HB       PHE  36  -1.765  13.170   6.199
  187   2HB   PHE  36          1HB       PHE  36  -0.196  13.975   6.252
  188    HD1  PHE  36           HD2      PHE  36  -0.126  16.470   6.774
  189    HD2  PHE  36           HD1      PHE  36  -3.625  14.063   7.356
  190    HE1  PHE  36           HE2      PHE  36  -1.045  18.185   8.306
  191    HE2  PHE  36           HE1      PHE  36  -4.550  15.778   8.891
  192    HZ   PHE  36           HZ       PHE  36  -3.261  17.842   9.365
  193    HA   PRO  37           HA       PRO  37  -0.570  18.425   3.403
  194   1HB   PRO  37          2HB       PRO  37  -2.638  20.029   4.258
  195   2HB   PRO  37          1HB       PRO  37  -2.653  19.147   2.720
  196   1HG   PRO  37          2HG       PRO  37  -4.122  18.541   5.247
  197   2HG   PRO  37          1HG       PRO  37  -4.548  18.133   3.576
  198   1HD   PRO  37          2HD       PRO  37  -3.420  16.363   5.472
  199   2HD   PRO  37          1HD       PRO  37  -3.524  16.084   3.720
  200    H    GLY  38           H        GLY  38   1.114  18.748   4.806
  201   1HA   GLY  38          2HA       GLY  38   1.651  20.491   6.607
  202   2HA   GLY  38          1HA       GLY  38   0.468  19.618   7.589
  203    H    CYS  39           H        CYS  39   1.452  17.096   6.113
  204    HA   CYS  39           HA       CYS  39   3.285  16.223   8.157
  205   1HB   CYS  39          2HB       CYS  39   1.698  14.826   6.644
  206   2HB   CYS  39          1HB       CYS  39   3.008  14.896   5.465
  207    H    THR  40           H        THR  40   5.492  15.277   7.536
  208    HA   THR  40           HA       THR  40   6.867  16.510   5.275
  209    HB   THR  40           HB       THR  40   6.887  18.401   6.832
  210    HG1  THR  40           HG1      THR  40   8.897  18.724   6.359
  211   1HG2  THR  40          1HG2      THR  40   7.040  16.366   8.776
  212   2HG2  THR  40          3HG2      THR  40   8.555  17.261   8.897
  213   3HG2  THR  40          2HG2      THR  40   7.015  18.107   9.056
  214    H    LYS  41           H        LYS  41   6.343  13.853   6.666
  215    HA   LYS  41           HA       LYS  41   9.212  13.025   6.881
  216   1HB   LYS  41          2HB       LYS  41   6.879  12.456   8.628
  217   2HB   LYS  41          1HB       LYS  41   7.945  11.092   8.290
  218   1HG   LYS  41          2HG       LYS  41   9.783  12.097   9.308
  219   2HG   LYS  41          1HG       LYS  41   9.150  13.727   9.072
  220   1HD   LYS  41          2HD       LYS  41   8.984  13.120  11.435
  221   2HD   LYS  41          1HD       LYS  41   7.367  13.243  10.742
  222   1HE   LYS  41          2HE       LYS  41   7.483  10.732  10.335
  223   2HE   LYS  41          1HE       LYS  41   8.933  10.725  11.339
  224   1HZ   LYS  41          2HZ       LYS  41   6.545  12.062  12.374
  225   2HZ   LYS  41          1HZ       LYS  41   6.563  10.364  12.366
  226   3HZ   LYS  41          3HZ       LYS  41   7.762  11.220  13.206
  227    H    THR  42           H        THR  42   9.803  11.333   5.578
  228    HA   THR  42           HA       THR  42   7.611   9.923   4.105
  229    HB   THR  42           HB       THR  42   8.882   9.956   2.144
  230    HG1  THR  42           HG1      THR  42  10.991  10.114   3.946
  231   1HG2  THR  42          3HG2      THR  42   8.304  12.318   3.299
  232   2HG2  THR  42          2HG2      THR  42  10.056  12.486   3.174
  233   3HG2  THR  42          1HG2      THR  42   9.091  12.200   1.726
  234    H    PHE  43           H        PHE  43   8.005   7.652   3.656
  235    HA   PHE  43           HA       PHE  43  10.223   6.456   5.263
  236   1HB   PHE  43          2HB       PHE  43   7.578   5.058   5.081
  237   2HB   PHE  43          1HB       PHE  43   8.809   4.959   6.340
  238    HD1  PHE  43           HD1      PHE  43   6.384   7.365   4.797
  239    HD2  PHE  43           HD2      PHE  43   8.563   6.202   8.312
  240    HE1  PHE  43           HE1      PHE  43   5.174   9.084   6.115
  241    HE2  PHE  43           HE2      PHE  43   7.353   7.921   9.630
  242    HZ   PHE  43           HZ       PHE  43   5.660   9.360   8.531
  243    H    LYS  44           H        LYS  44   9.264   3.750   4.578
  244    HA   LYS  44           HA       LYS  44   9.495   3.716   1.621
  245   1HB   LYS  44          2HB       LYS  44  11.350   2.131   1.668
  246   2HB   LYS  44          1HB       LYS  44  11.813   3.589   2.546
  247   1HG   LYS  44          2HG       LYS  44  10.552   1.903   4.433
  248   2HG   LYS  44          1HG       LYS  44  11.656   0.878   3.514
  249   1HD   LYS  44          2HD       LYS  44  13.271   2.993   3.872
  250   2HD   LYS  44          1HD       LYS  44  12.257   3.184   5.303
  251   1HE   LYS  44          2HE       LYS  44  12.686   0.696   5.751
  252   2HE   LYS  44          1HE       LYS  44  13.957   0.807   4.533
  253   1HZ   LYS  44          2HZ       LYS  44  14.228   2.982   6.261
  254   2HZ   LYS  44          1HZ       LYS  44  14.049   1.593   7.223
  255   3HZ   LYS  44          3HZ       LYS  44  15.283   1.665   6.062
  256    H    ARG  45           H        ARG  45   9.643   1.084   1.113
  257    HA   ARG  45           HA       ARG  45   7.107   0.037   1.441
  258   1HB   ARG  45          2HB       ARG  45   8.152  -2.233   1.184
  259   2HB   ARG  45          1HB       ARG  45   8.725  -1.058   0.000
  260   1HG   ARG  45          2HG       ARG  45  10.843  -1.155   0.784
  261   2HG   ARG  45          1HG       ARG  45  10.306  -1.025   2.459
  262   1HD   ARG  45          2HD       ARG  45  10.320  -3.280   2.772
  263   2HD   ARG  45          1HD       ARG  45   9.681  -3.604   1.161
  264    HE   ARG  45           HE       ARG  45  12.336  -2.690   0.826
  265   1HH1  ARG  45           HH2      ARG  45  10.559  -5.469   0.753
  266   2HH1  ARG  45           HH2      ARG  45  11.840  -6.542   1.206
  267   1HH2  ARG  45           HH1      ARG  45  14.028  -3.995   2.068
  268   2HH2  ARG  45           HH1      ARG  45  13.804  -5.708   1.950
  269    H    ARG  46           H        ARG  46   6.211   0.355   3.507
  270    HA   ARG  46           HA       ARG  46   6.905  -1.664   5.495
  271   1HB   ARG  46          2HB       ARG  46   8.222   0.819   5.666
  272   2HB   ARG  46          1HB       ARG  46   6.947   0.878   6.884
  273   1HG   ARG  46          2HG       ARG  46   7.975  -0.660   8.187
  274   2HG   ARG  46          1HG       ARG  46   8.333  -1.703   6.809
  275   1HD   ARG  46          2HD       ARG  46  10.166  -0.038   6.192
  276   2HD   ARG  46          1HD       ARG  46   9.909   0.690   7.779
  277    HE   ARG  46           HE       ARG  46  11.554  -1.497   7.428
  278   1HH1  ARG  46           HH1      ARG  46   9.918  -3.620   7.937
  279   2HH1  ARG  46           HH1      ARG  46   9.580  -3.623   9.636
  280   1HH2  ARG  46           HH2      ARG  46  10.538  -0.322  10.100
  281   2HH2  ARG  46           HH2      ARG  46   9.931  -1.755  10.861
  282    H    TYR  47           H        TYR  47   5.452  -1.262   7.523
  283    HA   TYR  47           HA       TYR  47   2.870  -0.040   6.656
  284   1HB   TYR  47          2HB       TYR  47   2.333  -2.068   8.568
  285   2HB   TYR  47          1HB       TYR  47   1.878  -2.060   6.866
  286    HD1  TYR  47           HD1      TYR  47   4.561  -3.014   9.257
  287    HD2  TYR  47           HD2      TYR  47   2.989  -3.431   5.285
  288    HE1  TYR  47           HE1      TYR  47   6.158  -4.866   8.819
  289    HE2  TYR  47           HE2      TYR  47   4.585  -5.283   4.840
  290    HH   TYR  47           HH       TYR  47   6.132  -6.956   7.132
  291    H    ASN  48           H        ASN  48   5.108   1.012   8.303
  292    HA   ASN  48           HA       ASN  48   3.726   1.145  10.923
  293   1HB   ASN  48          2HB       ASN  48   6.606   1.577  10.116
  294   2HB   ASN  48          1HB       ASN  48   5.987   2.139  11.670
  295   1HD2  ASN  48           HD2      ASN  48   7.232  -1.542  11.651
  296   2HD2  ASN  48           HD2      ASN  48   7.869  -0.216  10.803
  297    H    ILE  49           H        ILE  49   4.677   2.887   8.131
  298    HA   ILE  49           HA       ILE  49   4.474   5.538   9.303
  299    HB   ILE  49           HB       ILE  49   5.469   6.111   7.365
  300   1HG1  ILE  49          2HG1      ILE  49   3.075   6.613   6.688
  301   2HG1  ILE  49          1HG1      ILE  49   4.202   6.366   5.354
  302   1HG2  ILE  49          2HG2      ILE  49   4.738   3.362   6.329
  303   2HG2  ILE  49          1HG2      ILE  49   5.874   4.471   5.562
  304   3HG2  ILE  49          3HG2      ILE  49   6.234   3.801   7.153
  305   1HD1  ILE  49           HD1      ILE  49   3.120   3.827   6.138
  306   2HD1  ILE  49           HD1      ILE  49   1.792   4.957   5.874
  307   3HD1  ILE  49           HD1      ILE  49   2.962   4.656   4.589
  308    H    ARG  50           H        ARG  50   2.281   3.259   7.776
  309    HA   ARG  50           HA       ARG  50   0.073   4.988   7.321
  310   1HB   ARG  50          2HB       ARG  50   0.082   2.644   6.560
  311   2HB   ARG  50          1HB       ARG  50   0.065   2.090   8.235
  312   1HG   ARG  50          2HG       ARG  50  -2.069   3.833   8.174
  313   2HG   ARG  50          1HG       ARG  50  -2.143   3.092   6.575
  314   1HD   ARG  50          2HD       ARG  50  -2.342   1.782   9.275
  315   2HD   ARG  50          1HD       ARG  50  -3.389   1.590   7.870
  316    HE   ARG  50           HE       ARG  50  -0.880   0.156   8.356
  317   1HH1  ARG  50           HH1      ARG  50  -0.261   0.925   5.706
  318   2HH1  ARG  50           HH1      ARG  50  -1.183  -0.134   4.693
  319   1HH2  ARG  50           HH2      ARG  50  -3.362  -1.084   7.217
  320   2HH2  ARG  50           HH2      ARG  50  -2.938  -1.272   5.548
  321    H    SER  51           H        SER  51   0.999   3.141  10.230
  322    HA   SER  51           HA       SER  51  -1.151   4.101  11.867
  323   1HB   SER  51          2HB       SER  51   0.359   2.148  12.416
  324   2HB   SER  51          1HB       SER  51   1.631   3.310  12.783
  325    HG   SER  51           HG       SER  51  -0.394   2.496  14.318
  326    H    HIS  52           H        HIS  52   2.033   5.360  11.045
  327    HA   HIS  52           HA       HIS  52   2.263   7.415  12.960
  328   1HB   HIS  52          2HB       HIS  52   4.181   7.480  11.720
  329   2HB   HIS  52          1HB       HIS  52   3.379   6.831  10.295
  330    HD1  HIS  52           HD1      HIS  52   5.012   9.808  11.397
  331    HD2  HIS  52           HD2      HIS  52   1.644   9.059   9.072
  332    HE1  HIS  52           HE1      HIS  52   4.525  11.945  10.123
  333    H    ILE  53           H        ILE  53   0.432   7.354   9.922
  334    HA   ILE  53           HA       ILE  53  -0.456  10.108  10.177
  335    HB   ILE  53           HB       ILE  53  -1.954   7.923   8.698
  336   1HG1  ILE  53          2HG1      ILE  53   0.464   9.460   7.699
  337   2HG1  ILE  53          1HG1      ILE  53   0.448   7.742   8.100
  338   1HG2  ILE  53          2HG2      ILE  53  -1.835  10.885   8.702
  339   2HG2  ILE  53          1HG2      ILE  53  -1.965  10.120   7.118
  340   3HG2  ILE  53          3HG2      ILE  53  -3.187   9.809   8.350
  341   1HD1  ILE  53           HD1      ILE  53  -1.307   9.048   6.000
  342   2HD1  ILE  53           HD1      ILE  53   0.162   8.133   5.660
  343   3HD1  ILE  53           HD1      ILE  53  -1.235   7.325   6.371
  344    H    GLN  54           H        GLN  54  -1.684   6.956  11.197
  345    HA   GLN  54           HA       GLN  54  -4.284   7.756  11.963
  346   1HB   GLN  54          2HB       GLN  54  -2.752   5.433  12.190
  347   2HB   GLN  54          1HB       GLN  54  -3.096   5.884  13.859
  348   1HG   GLN  54          2HG       GLN  54  -5.134   4.964  13.590
  349   2HG   GLN  54          1HG       GLN  54  -5.512   6.300  12.503
  350   1HE2  GLN  54          2HE2      GLN  54  -4.233   4.120   9.676
  351   2HE2  GLN  54          1HE2      GLN  54  -3.627   5.534  10.394
  352    H    THR  55           H        THR  55  -1.196   8.262  13.584
  353    HA   THR  55           HA       THR  55  -2.534   9.182  16.018
  354    HB   THR  55           HB       THR  55   0.304   9.914  15.483
  355    HG1  THR  55           HG1      THR  55   0.904   7.739  15.933
  356   1HG2  THR  55          1HG2      THR  55  -1.190   8.657  17.800
  357   2HG2  THR  55          3HG2      THR  55   0.521   9.086  17.822
  358   3HG2  THR  55          2HG2      THR  55  -0.702  10.346  17.663
  359    H    HIS  56           H        HIS  56  -0.744  10.725  13.356
  360    HA   HIS  56           HA       HIS  56  -1.725  13.327  14.335
  361   1HB   HIS  56          2HB       HIS  56   0.132  14.212  13.435
  362   2HB   HIS  56          1HB       HIS  56   0.702  12.560  13.379
  363    HD1  HIS  56           HD1      HIS  56  -0.871  15.197  11.131
  364    HD2  HIS  56           HD2      HIS  56   1.204  11.609  10.850
  365    HE1  HIS  56           HE1      HIS  56   0.036  15.065   8.757
  366    H    LEU  57           H        LEU  57  -3.286  11.137  12.954
  367    HA   LEU  57           HA       LEU  57  -4.868  12.931  11.289
  368   1HB   LEU  57          2HB       LEU  57  -2.962  11.842   9.841
  369   2HB   LEU  57          1HB       LEU  57  -3.970  10.399   9.937
  370    HG   LEU  57           HG       LEU  57  -5.822  11.517   8.899
  371   1HD1  LEU  57           HD1      LEU  57  -4.198  13.960   9.519
  372   2HD1  LEU  57           HD1      LEU  57  -5.305  13.997   8.144
  373   3HD1  LEU  57           HD1      LEU  57  -5.920  13.675   9.765
  374   1HD2  LEU  57           HD2      LEU  57  -3.143  12.035   7.602
  375   2HD2  LEU  57           HD2      LEU  57  -4.315  10.771   7.228
  376   3HD2  LEU  57           HD2      LEU  57  -4.650  12.444   6.783
  377    H    GLU  58           H        GLU  58  -4.823  10.773  13.653
  378    HA   GLU  58           HA       GLU  58  -6.486   8.625  13.107
  379   1HB   GLU  58          2HB       GLU  58  -5.593   9.856  15.401
  380   2HB   GLU  58          1HB       GLU  58  -7.333  10.131  15.493
  381   1HG   GLU  58          2HG       GLU  58  -7.800   7.917  15.784
  382   2HG   GLU  58          1HG       GLU  58  -6.528   7.402  14.676
  383    H    ASP  59           H        ASP  59  -7.894  11.625  14.449
  384    HA   ASP  59           HA       ASP  59  -9.723  12.171  12.370
  385   1HB   ASP  59          2HB       ASP  59 -11.812  11.170  13.451
  386   2HB   ASP  59          1HB       ASP  59 -10.732  10.021  12.660
  387    H    ARG  60           H        ARG  60  -9.187  12.033  15.859
  388    HA   ARG  60           HA       ARG  60 -11.022  14.191  16.479
  389   1HB   ARG  60          2HB       ARG  60 -10.254  12.501  18.154
  390   2HB   ARG  60          1HB       ARG  60  -8.639  13.206  18.077
  391   1HG   ARG  60          2HG       ARG  60  -9.902  15.456  18.583
  392   2HG   ARG  60          1HG       ARG  60 -11.166  14.387  19.193
  393   1HD   ARG  60          2HD       ARG  60  -8.358  13.849  20.061
  394   2HD   ARG  60          1HD       ARG  60  -9.184  15.239  20.767
  395    HE   ARG  60           HE       ARG  60 -11.012  13.151  20.997
  396   1HH1  ARG  60           HH2      ARG  60  -7.969  14.171  22.209
  397   2HH1  ARG  60           HH2      ARG  60  -7.930  13.005  23.490
  398   1HH2  ARG  60           HH1      ARG  60 -10.880  11.456  22.530
  399   2HH2  ARG  60           HH1      ARG  60  -9.578  11.469  23.672
   
  No H/Q in entry =         399
  Start of MODEL   11
    1   1H    THR  14          2H        THR  14 -12.167  -3.359  12.157
    2   2H    THR  14          1H        THR  14 -13.591  -4.285  12.170
    3   3H    THR  14          3H        THR  14 -13.533  -2.835  11.293
    4    HA   THR  14           HA       THR  14 -14.637  -2.121  13.143
    5    HB   THR  14           HB       THR  14 -14.573  -4.284  14.300
    6    HG1  THR  14           HG1      THR  14 -15.169  -2.860  15.758
    7   1HG2  THR  14          1HG2      THR  14 -11.754  -3.887  14.075
    8   2HG2  THR  14          3HG2      THR  14 -12.151  -4.021  15.789
    9   3HG2  THR  14          2HG2      THR  14 -12.611  -5.308  14.674
   10    H    LEU  15           H        LEU  15 -12.253  -1.136  11.801
   11    HA   LEU  15           HA       LEU  15 -10.972   0.323  14.079
   12   1HB   LEU  15          2HB       LEU  15  -9.817  -1.091  11.813
   13   2HB   LEU  15          1HB       LEU  15  -9.301   0.596  11.848
   14    HG   LEU  15           HG       LEU  15  -9.210  -0.303  14.525
   15   1HD1  LEU  15           HD1      LEU  15  -8.756  -2.462  12.641
   16   2HD1  LEU  15           HD1      LEU  15  -7.290  -2.121  13.563
   17   3HD1  LEU  15           HD1      LEU  15  -8.790  -2.514  14.404
   18   1HD2  LEU  15           HD2      LEU  15  -7.602   1.019  12.622
   19   2HD2  LEU  15           HD2      LEU  15  -7.277   0.846  14.347
   20   3HD2  LEU  15           HD2      LEU  15  -6.630  -0.333  13.205
   21    HA   PRO  16           HA       PRO  16 -12.447   4.019  12.226
   22   1HB   PRO  16          2HB       PRO  16 -10.557   5.771  13.183
   23   2HB   PRO  16          1HB       PRO  16 -11.847   5.081  14.182
   24   1HG   PRO  16          2HG       PRO  16  -8.943   4.401  14.132
   25   2HG   PRO  16          1HG       PRO  16 -10.110   4.242  15.456
   26   1HD   PRO  16          2HD       PRO  16  -9.183   2.139  13.803
   27   2HD   PRO  16          1HD       PRO  16 -10.581   2.068  14.897
   28    H    ARG  17           H        ARG  17 -12.221   4.326  10.031
   29    HA   ARG  17           HA       ARG  17  -9.468   4.631   8.937
   30   1HB   ARG  17          2HB       ARG  17 -12.010   3.994   7.417
   31   2HB   ARG  17          1HB       ARG  17 -10.359   3.926   6.799
   32   1HG   ARG  17          2HG       ARG  17 -11.274   2.261   9.151
   33   2HG   ARG  17          1HG       ARG  17 -11.389   1.688   7.486
   34   1HD   ARG  17          2HD       ARG  17  -8.915   2.348   9.078
   35   2HD   ARG  17          1HD       ARG  17  -9.299   0.864   8.206
   36    HE   ARG  17           HE       ARG  17  -8.359   3.395   6.972
   37   1HH1  ARG  17           HH2      ARG  17 -10.430   1.905   5.318
   38   2HH1  ARG  17           HH2      ARG  17  -9.418   0.909   4.326
   39   1HH2  ARG  17           HH1      ARG  17  -6.601   1.344   6.302
   40   2HH2  ARG  17           HH1      ARG  17  -7.250   0.591   4.883
   41    H    GLY  18           H        GLY  18  -9.944   6.917   9.981
   42   1HA   GLY  18          2HA       GLY  18 -11.760   8.750   8.874
   43   2HA   GLY  18          1HA       GLY  18 -10.173   9.206   9.496
   44    H    SER  19           H        SER  19  -8.450   7.998   7.740
   45    HA   SER  19           HA       SER  19  -9.035   8.097   4.990
   46   1HB   SER  19          2HB       SER  19  -7.737  10.512   4.842
   47   2HB   SER  19          1HB       SER  19  -9.481  10.306   4.707
   48    HG   SER  19           HG       SER  19  -9.477  11.575   6.394
   49    H    ILE  20           H        ILE  20  -7.400   6.428   6.188
   50    HA   ILE  20           HA       ILE  20  -4.647   7.391   6.320
   51    HB   ILE  20           HB       ILE  20  -5.348   4.482   6.126
   52   1HG1  ILE  20          2HG1      ILE  20  -7.091   5.228   7.589
   53   2HG1  ILE  20          1HG1      ILE  20  -5.815   4.612   8.639
   54   1HG2  ILE  20          3HG2      ILE  20  -3.160   6.158   7.055
   55   2HG2  ILE  20          2HG2      ILE  20  -3.689   5.040   8.314
   56   3HG2  ILE  20          1HG2      ILE  20  -3.180   4.422   6.743
   57   1HD1  ILE  20           HD1      ILE  20  -4.966   7.112   8.556
   58   2HD1  ILE  20           HD1      ILE  20  -6.644   7.448   8.129
   59   3HD1  ILE  20           HD1      ILE  20  -6.264   6.653   9.657
   60    H    ASP  21           H        ASP  21  -6.598   5.477   4.068
   61    HA   ASP  21           HA       ASP  21  -4.346   5.170   2.214
   62   1HB   ASP  21          2HB       ASP  21  -7.200   4.617   1.463
   63   2HB   ASP  21          1HB       ASP  21  -5.736   3.753   0.989
   64    H    LYS  22           H        LYS  22  -6.133   7.769   2.998
   65    HA   LYS  22           HA       LYS  22  -6.649   8.693   0.232
   66   1HB   LYS  22          2HB       LYS  22  -7.979   9.129   2.605
   67   2HB   LYS  22          1HB       LYS  22  -7.042  10.613   2.426
   68   1HG   LYS  22          2HG       LYS  22  -8.007  10.154  -0.137
   69   2HG   LYS  22          1HG       LYS  22  -9.357   9.687   0.898
   70   1HD   LYS  22          2HD       LYS  22  -7.862  12.262   1.373
   71   2HD   LYS  22          1HD       LYS  22  -9.177  12.179   0.200
   72   1HE   LYS  22          2HE       LYS  22  -9.503  11.200   3.039
   73   2HE   LYS  22          1HE       LYS  22  -9.821  12.874   2.583
   74   1HZ   LYS  22          1HZ       LYS  22 -11.078  10.526   1.275
   75   2HZ   LYS  22          3HZ       LYS  22 -11.805  11.422   2.517
   76   3HZ   LYS  22          2HZ       LYS  22 -11.461  12.162   1.027
   77    H    TYR  23           H        TYR  23  -3.960   8.454   2.004
   78    HA   TYR  23           HA       TYR  23  -2.744  10.792   0.685
   79   1HB   TYR  23          2HB       TYR  23  -2.710  10.388   3.688
   80   2HB   TYR  23          1HB       TYR  23  -1.636  11.496   2.834
   81    HD1  TYR  23           HD2      TYR  23  -2.861  13.139   1.135
   82    HD2  TYR  23           HD1      TYR  23  -4.741  11.212   4.483
   83    HE1  TYR  23           HE2      TYR  23  -4.644  14.863   1.127
   84    HE2  TYR  23           HE1      TYR  23  -6.523  12.935   4.475
   85    HH   TYR  23           HH       TYR  23  -7.461  14.602   3.236
   86    H    VAL  24           H        VAL  24  -2.328   7.909   2.697
   87    HA   VAL  24           HA       VAL  24   0.430   7.574   2.660
   88    HB   VAL  24           HB       VAL  24  -1.724   5.485   2.229
   89   1HG1  VAL  24          1HG1      VAL  24   1.093   5.249   1.922
   90   2HG1  VAL  24          3HG1      VAL  24   0.670   4.473   3.448
   91   3HG1  VAL  24          2HG1      VAL  24  -0.102   3.952   1.951
   92   1HG2  VAL  24          1HG2      VAL  24  -1.079   7.058   4.448
   93   2HG2  VAL  24          3HG2      VAL  24  -2.012   5.562   4.471
   94   3HG2  VAL  24          2HG2      VAL  24  -0.273   5.520   4.760
   95    H    LYS  25           H        LYS  25   1.759   7.885   0.931
   96    HA   LYS  25           HA       LYS  25   0.868   6.808  -1.714
   97   1HB   LYS  25          2HB       LYS  25   1.381   9.352  -1.351
   98   2HB   LYS  25          1HB       LYS  25   3.068   8.836  -1.400
   99   1HG   LYS  25          2HG       LYS  25   2.234   9.498  -3.646
  100   2HG   LYS  25          1HG       LYS  25   2.716   7.802  -3.592
  101   1HD   LYS  25          2HD       LYS  25   0.578   7.046  -3.861
  102   2HD   LYS  25          1HD       LYS  25  -0.111   8.346  -2.889
  103   1HE   LYS  25          2HE       LYS  25  -0.860   9.001  -4.973
  104   2HE   LYS  25          1HE       LYS  25   0.699   9.826  -4.956
  105   1HZ   LYS  25          3HZ       LYS  25   0.186   7.141  -6.118
  106   2HZ   LYS  25          2HZ       LYS  25   0.362   8.580  -7.003
  107   3HZ   LYS  25          1HZ       LYS  25   1.673   7.957  -6.121
  108    H    GLU  26           H        GLU  26   1.777   4.770  -1.777
  109    HA   GLU  26           HA       GLU  26   4.556   4.401  -0.827
  110   1HB   GLU  26          2HB       GLU  26   4.148   2.044  -1.048
  111   2HB   GLU  26          1HB       GLU  26   2.698   2.741  -0.324
  112   1HG   GLU  26          2HG       GLU  26   2.111   2.998  -2.973
  113   2HG   GLU  26          1HG       GLU  26   3.071   1.517  -2.991
  114    H    MET  27           H        MET  27   6.242   4.506  -2.227
  115    HA   MET  27           HA       MET  27   5.674   4.645  -5.126
  116   1HB   MET  27          2HB       MET  27   8.339   4.927  -3.715
  117   2HB   MET  27          1HB       MET  27   7.941   5.442  -5.352
  118   1HG   MET  27          2HG       MET  27   6.225   6.527  -3.183
  119   2HG   MET  27          1HG       MET  27   7.882   7.128  -3.244
  120   1HE   MET  27          1HE       MET  27   4.629   6.543  -4.741
  121   2HE   MET  27          3HE       MET  27   4.432   7.647  -6.110
  122   3HE   MET  27          2HE       MET  27   5.287   6.121  -6.321
  123    HA   PRO  28           HA       PRO  28   6.856   0.500  -5.893
  124   1HB   PRO  28          2HB       PRO  28   7.676   0.786  -8.509
  125   2HB   PRO  28          1HB       PRO  28   5.978   0.736  -8.004
  126   1HG   PRO  28          2HG       PRO  28   7.631   3.092  -8.818
  127   2HG   PRO  28          1HG       PRO  28   5.887   2.832  -8.990
  128   1HD   PRO  28          2HD       PRO  28   7.076   4.431  -7.020
  129   2HD   PRO  28          1HD       PRO  28   5.431   3.765  -6.934
  130    H    ASP  29           H        ASP  29   9.045   3.082  -5.814
  131    HA   ASP  29           HA       ASP  29  11.401   1.392  -6.378
  132   1HB   ASP  29          2HB       ASP  29  12.697   3.415  -6.196
  133   2HB   ASP  29          1HB       ASP  29  11.260   3.813  -7.139
  134    H    LYS  30           H        LYS  30   9.420   1.214  -4.021
  135    HA   LYS  30           HA       LYS  30   9.619   0.488  -1.810
  136   1HB   LYS  30          2HB       LYS  30  12.373   0.350  -2.800
  137   2HB   LYS  30          1HB       LYS  30  12.287   0.715  -1.077
  138   1HG   LYS  30          2HG       LYS  30  10.873  -1.235  -0.696
  139   2HG   LYS  30          1HG       LYS  30  10.819  -1.568  -2.428
  140   1HD   LYS  30          2HD       LYS  30  13.334  -1.786  -2.379
  141   2HD   LYS  30          1HD       LYS  30  13.246  -1.683  -0.620
  142   1HE   LYS  30          2HE       LYS  30  13.055  -3.952  -0.744
  143   2HE   LYS  30          1HE       LYS  30  11.366  -3.593  -1.103
  144   1HZ   LYS  30          1HZ       LYS  30  12.369  -3.358  -3.518
  145   2HZ   LYS  30          3HZ       LYS  30  13.507  -4.449  -2.891
  146   3HZ   LYS  30          2HZ       LYS  30  11.857  -4.855  -2.899
  147    H    THR  31           H        THR  31   8.743   2.956  -2.116
  148    HA   THR  31           HA       THR  31  10.166   4.465   0.010
  149    HB   THR  31           HB       THR  31   8.944   5.933  -2.283
  150    HG1  THR  31           HG1      THR  31  11.408   4.588  -2.197
  151   1HG2  THR  31          2HG2      THR  31  10.744   6.462  -0.003
  152   2HG2  THR  31          1HG2      THR  31  11.188   7.261  -1.512
  153   3HG2  THR  31          3HG2      THR  31   9.597   7.536  -0.805
  154    H    PHE  32           H        PHE  32   8.621   6.465   0.575
  155    HA   PHE  32           HA       PHE  32   5.762   5.848   0.350
  156   1HB   PHE  32          2HB       PHE  32   7.334   5.074   2.706
  157   2HB   PHE  32          1HB       PHE  32   5.964   6.113   3.102
  158    HD1  PHE  32           HD1      PHE  32   6.954   2.946   1.426
  159    HD2  PHE  32           HD2      PHE  32   3.712   5.333   2.922
  160    HE1  PHE  32           HE1      PHE  32   5.408   1.030   1.133
  161    HE2  PHE  32           HE2      PHE  32   2.168   3.415   2.630
  162    HZ   PHE  32           HZ       PHE  32   3.015   1.264   1.736
  163    H    GLU  33           H        GLU  33   4.477   7.686   0.961
  164    HA   GLU  33           HA       GLU  33   5.879  10.030   2.079
  165   1HB   GLU  33          2HB       GLU  33   6.112   9.908  -0.525
  166   2HB   GLU  33          1HB       GLU  33   4.421  10.410  -0.523
  167   1HG   GLU  33          2HG       GLU  33   5.023  12.535  -0.101
  168   2HG   GLU  33          1HG       GLU  33   5.866  12.024   1.362
  169    H    CYS  34           H        CYS  34   4.476  10.518   3.690
  170    HA   CYS  34           HA       CYS  34   1.646   9.993   3.617
  171   1HB   CYS  34          2HB       CYS  34   3.079  10.291   5.685
  172   2HB   CYS  34          1HB       CYS  34   3.114  12.017   5.335
  173    H    LEU  35           H        LEU  35   0.504  10.993   1.976
  174    HA   LEU  35           HA       LEU  35   1.151  13.642   1.003
  175   1HB   LEU  35          2HB       LEU  35  -1.411  12.080   0.598
  176   2HB   LEU  35          1HB       LEU  35  -0.807  13.399  -0.403
  177    HG   LEU  35           HG       LEU  35   0.835  10.909   0.038
  178   1HD1  LEU  35           HD1      LEU  35  -1.695  10.937  -1.183
  179   2HD1  LEU  35           HD1      LEU  35  -0.543  10.991  -2.517
  180   3HD1  LEU  35           HD1      LEU  35  -0.466   9.683  -1.338
  181   1HD2  LEU  35           HD2      LEU  35   0.949  13.361  -1.582
  182   2HD2  LEU  35           HD2      LEU  35   2.247  12.259  -1.122
  183   3HD2  LEU  35           HD2      LEU  35   1.230  11.890  -2.515
  184    H    PHE  36           H        PHE  36  -0.146  12.854   3.913
  185    HA   PHE  36           HA       PHE  36  -2.488  14.427   4.137
  186   1HB   PHE  36          2HB       PHE  36  -1.697  12.923   5.920
  187   2HB   PHE  36          1HB       PHE  36  -0.311  13.976   6.198
  188    HD1  PHE  36           HD2      PHE  36  -0.613  16.235   7.149
  189    HD2  PHE  36           HD1      PHE  36  -3.910  13.539   6.652
  190    HE1  PHE  36           HE2      PHE  36  -1.974  17.623   8.685
  191    HE2  PHE  36           HE1      PHE  36  -5.276  14.920   8.190
  192    HZ   PHE  36           HZ       PHE  36  -4.311  16.968   9.205
  193    HA   PRO  37           HA       PRO  37  -0.832  18.476   3.613
  194   1HB   PRO  37          2HB       PRO  37  -2.983  19.868   4.623
  195   2HB   PRO  37          1HB       PRO  37  -2.952  19.148   3.004
  196   1HG   PRO  37          2HG       PRO  37  -4.366  18.197   5.458
  197   2HG   PRO  37          1HG       PRO  37  -4.791  17.960   3.755
  198   1HD   PRO  37          2HD       PRO  37  -3.573  16.037   5.410
  199   2HD   PRO  37          1HD       PRO  37  -3.634  15.978   3.637
  200    H    GLY  38           H        GLY  38   0.775  19.089   4.971
  201   1HA   GLY  38          2HA       GLY  38   1.284  20.507   6.958
  202   2HA   GLY  38          1HA       GLY  38   0.084  19.557   7.843
  203    H    CYS  39           H        CYS  39   1.103  17.115   6.295
  204    HA   CYS  39           HA       CYS  39   2.895  16.150   8.318
  205   1HB   CYS  39          2HB       CYS  39   1.410  14.808   6.683
  206   2HB   CYS  39          1HB       CYS  39   2.727  15.017   5.527
  207    H    THR  40           H        THR  40   5.152  15.324   7.779
  208    HA   THR  40           HA       THR  40   6.597  16.715   5.650
  209    HB   THR  40           HB       THR  40   7.633  17.298   8.397
  210    HG1  THR  40           HG1      THR  40   5.696  18.149   8.725
  211   1HG2  THR  40          2HG2      THR  40   8.112  18.095   5.653
  212   2HG2  THR  40          1HG2      THR  40   7.806  19.504   6.668
  213   3HG2  THR  40          3HG2      THR  40   9.102  18.383   7.084
  214    H    LYS  41           H        LYS  41   6.102  13.949   6.698
  215    HA   LYS  41           HA       LYS  41   8.973  13.171   6.957
  216   1HB   LYS  41          2HB       LYS  41   6.682  12.493   8.742
  217   2HB   LYS  41          1HB       LYS  41   7.849  11.214   8.402
  218   1HG   LYS  41          2HG       LYS  41   9.231  13.693   8.948
  219   2HG   LYS  41          1HG       LYS  41   8.125  13.313  10.268
  220   1HD   LYS  41          2HD       LYS  41  10.283  11.516   9.128
  221   2HD   LYS  41          1HD       LYS  41  10.242  12.235  10.738
  222   1HE   LYS  41          2HE       LYS  41   7.790  10.860  10.425
  223   2HE   LYS  41          1HE       LYS  41   9.047   9.772   9.835
  224   1HZ   LYS  41          1HZ       LYS  41  10.077  10.915  12.111
  225   2HZ   LYS  41          3HZ       LYS  41   8.464  10.563  12.502
  226   3HZ   LYS  41          2HZ       LYS  41   9.490   9.328  11.946
  227    H    THR  42           H        THR  42   9.546  11.374   5.756
  228    HA   THR  42           HA       THR  42   7.341   9.970   4.298
  229    HB   THR  42           HB       THR  42   8.471  10.122   2.278
  230    HG1  THR  42           HG1      THR  42  10.793  10.453   3.861
  231   1HG2  THR  42          2HG2      THR  42   7.874  12.400   3.055
  232   2HG2  THR  42          1HG2      THR  42   9.482  12.563   3.762
  233   3HG2  THR  42          3HG2      THR  42   9.298  12.412   2.015
  234    H    PHE  43           H        PHE  43   7.899   7.721   3.696
  235    HA   PHE  43           HA       PHE  43  10.180   6.601   5.261
  236   1HB   PHE  43          2HB       PHE  43   7.609   5.073   5.180
  237   2HB   PHE  43          1HB       PHE  43   8.870   5.077   6.412
  238    HD1  PHE  43           HD1      PHE  43   6.267   7.294   4.879
  239    HD2  PHE  43           HD2      PHE  43   8.599   6.357   8.364
  240    HE1  PHE  43           HE1      PHE  43   4.999   8.981   6.182
  241    HE2  PHE  43           HE2      PHE  43   7.330   8.044   9.665
  242    HZ   PHE  43           HZ       PHE  43   5.530   9.355   8.575
  243    H    LYS  44           H        LYS  44   9.398   3.861   4.609
  244    HA   LYS  44           HA       LYS  44   9.557   3.881   1.635
  245   1HB   LYS  44          2HB       LYS  44  11.439   2.434   3.519
  246   2HB   LYS  44          1HB       LYS  44  11.346   2.121   1.785
  247   1HG   LYS  44          2HG       LYS  44  11.808   4.571   1.399
  248   2HG   LYS  44          1HG       LYS  44  12.106   4.728   3.131
  249   1HD   LYS  44          2HD       LYS  44  13.608   2.491   2.310
  250   2HD   LYS  44          1HD       LYS  44  13.871   3.718   1.071
  251   1HE   LYS  44          2HE       LYS  44  14.158   4.199   4.050
  252   2HE   LYS  44          1HE       LYS  44  15.503   3.891   2.951
  253   1HZ   LYS  44          1HZ       LYS  44  13.560   6.101   2.584
  254   2HZ   LYS  44          3HZ       LYS  44  15.040   6.283   3.391
  255   3HZ   LYS  44          2HZ       LYS  44  15.018   5.857   1.747
  256    H    ARG  45           H        ARG  45   9.610   1.324   0.991
  257    HA   ARG  45           HA       ARG  45   7.090   0.269   1.325
  258   1HB   ARG  45          2HB       ARG  45   8.617  -0.790  -0.203
  259   2HB   ARG  45          1HB       ARG  45   9.719  -1.217   1.106
  260   1HG   ARG  45          2HG       ARG  45   8.435  -2.988   1.792
  261   2HG   ARG  45          1HG       ARG  45   6.922  -2.185   1.374
  262   1HD   ARG  45          2HD       ARG  45   8.808  -3.045  -0.803
  263   2HD   ARG  45          1HD       ARG  45   7.719  -4.221  -0.068
  264    HE   ARG  45           HE       ARG  45   5.850  -2.607  -0.739
  265   1HH1  ARG  45           HH1      ARG  45   6.521  -0.355  -1.981
  266   2HH1  ARG  45           HH1      ARG  45   6.990  -0.724  -3.606
  267   1HH2  ARG  45           HH2      ARG  45   7.493  -4.097  -2.980
  268   2HH2  ARG  45           HH2      ARG  45   7.539  -2.841  -4.173
  269    H    ARG  46           H        ARG  46   6.055   0.159   3.276
  270    HA   ARG  46           HA       ARG  46   6.827  -1.837   5.199
  271   1HB   ARG  46          2HB       ARG  46   8.273   0.475   5.518
  272   2HB   ARG  46          1HB       ARG  46   6.900   0.766   6.586
  273   1HG   ARG  46          2HG       ARG  46   7.499  -0.900   8.031
  274   2HG   ARG  46          1HG       ARG  46   8.094  -1.943   6.739
  275   1HD   ARG  46          2HD       ARG  46   9.753   0.397   6.882
  276   2HD   ARG  46          1HD       ARG  46   9.622  -0.313   8.491
  277    HE   ARG  46           HE       ARG  46  10.346  -2.493   7.378
  278   1HH1  ARG  46           HH1      ARG  46  10.936  -2.727   4.891
  279   2HH1  ARG  46           HH1      ARG  46  12.343  -1.800   4.491
  280   1HH2  ARG  46           HH2      ARG  46  12.198   0.148   7.356
  281   2HH2  ARG  46           HH2      ARG  46  13.058  -0.172   5.888
  282    H    TYR  47           H        TYR  47   5.521  -0.901   7.457
  283    HA   TYR  47           HA       TYR  47   2.882   0.108   6.565
  284   1HB   TYR  47          2HB       TYR  47   2.344  -1.967   8.428
  285   2HB   TYR  47          1HB       TYR  47   1.870  -1.906   6.733
  286    HD1  TYR  47           HD1      TYR  47   4.841  -2.675   8.887
  287    HD2  TYR  47           HD2      TYR  47   2.677  -3.523   5.279
  288    HE1  TYR  47           HE1      TYR  47   6.412  -4.532   8.381
  289    HE2  TYR  47           HE2      TYR  47   4.245  -5.380   4.767
  290    HH   TYR  47           HH       TYR  47   5.932  -6.621   5.538
  291    H    ASN  48           H        ASN  48   5.157   1.071   8.244
  292    HA   ASN  48           HA       ASN  48   3.818   1.116  10.886
  293   1HB   ASN  48          2HB       ASN  48   6.650   1.804  10.054
  294   2HB   ASN  48          1HB       ASN  48   6.021   2.074  11.680
  295   1HD2  ASN  48           HD2      ASN  48   7.494  -1.496  10.930
  296   2HD2  ASN  48           HD2      ASN  48   7.939  -0.050  10.161
  297    H    ILE  49           H        ILE  49   4.540   2.977   8.113
  298    HA   ILE  49           HA       ILE  49   4.298   5.570   9.421
  299    HB   ILE  49           HB       ILE  49   5.164   6.334   7.493
  300   1HG1  ILE  49          2HG1      ILE  49   2.727   6.530   6.776
  301   2HG1  ILE  49          1HG1      ILE  49   3.909   6.466   5.469
  302   1HG2  ILE  49          1HG2      ILE  49   6.160   4.078   7.321
  303   2HG2  ILE  49          3HG2      ILE  49   4.778   3.555   6.359
  304   3HG2  ILE  49          2HG2      ILE  49   5.866   4.793   5.736
  305   1HD1  ILE  49           HD1      ILE  49   3.128   3.792   6.205
  306   2HD1  ILE  49           HD1      ILE  49   1.694   4.758   5.857
  307   3HD1  ILE  49           HD1      ILE  49   2.968   4.602   4.646
  308    H    ARG  50           H        ARG  50   2.165   3.319   7.748
  309    HA   ARG  50           HA       ARG  50  -0.112   4.960   7.429
  310   1HB   ARG  50          2HB       ARG  50  -1.423   2.814   7.792
  311   2HB   ARG  50          1HB       ARG  50  -0.159   2.701   6.567
  312   1HG   ARG  50          2HG       ARG  50   1.328   1.581   8.085
  313   2HG   ARG  50          1HG       ARG  50   0.271   1.911   9.457
  314   1HD   ARG  50          2HD       ARG  50  -1.447   0.612   7.777
  315   2HD   ARG  50          1HD       ARG  50   0.074  -0.193   7.394
  316    HE   ARG  50           HE       ARG  50   0.231  -0.880   9.739
  317   1HH1  ARG  50           HH1      ARG  50  -0.993   0.611  11.612
  318   2HH1  ARG  50           HH1      ARG  50  -2.644   0.100  11.723
  319   1HH2  ARG  50           HH2      ARG  50  -2.629  -1.507   8.651
  320   2HH2  ARG  50           HH2      ARG  50  -3.570  -1.098  10.047
  321    H    SER  51           H        SER  51   1.175   3.318  10.283
  322    HA   SER  51           HA       SER  51  -1.037   4.057  12.007
  323   1HB   SER  51          2HB       SER  51   1.246   2.428  12.228
  324   2HB   SER  51          1HB       SER  51   1.491   3.719  13.402
  325    HG   SER  51           HG       SER  51  -0.675   1.910  13.164
  326    H    HIS  52           H        HIS  52   2.133   5.407  11.210
  327    HA   HIS  52           HA       HIS  52   2.238   7.507  13.087
  328   1HB   HIS  52          2HB       HIS  52   4.180   7.677  11.892
  329   2HB   HIS  52          1HB       HIS  52   3.468   6.890  10.490
  330    HD1  HIS  52           HD1      HIS  52   4.948   9.983  11.358
  331    HD2  HIS  52           HD2      HIS  52   1.555   8.980   9.159
  332    HE1  HIS  52           HE1      HIS  52   4.344  12.028   9.992
  333    H    ILE  53           H        ILE  53   0.409   7.228  10.093
  334    HA   ILE  53           HA       ILE  53  -0.540   9.965  10.168
  335    HB   ILE  53           HB       ILE  53  -1.589   7.485   8.763
  336   1HG1  ILE  53          2HG1      ILE  53   0.112   9.841   7.916
  337   2HG1  ILE  53          1HG1      ILE  53   0.528   8.129   7.852
  338   1HG2  ILE  53          3HG2      ILE  53  -2.416  10.389   8.499
  339   2HG2  ILE  53          2HG2      ILE  53  -2.929   9.093   7.417
  340   3HG2  ILE  53          1HG2      ILE  53  -3.412   9.070   9.113
  341   1HD1  ILE  53           HD1      ILE  53  -1.515   7.903   6.273
  342   2HD1  ILE  53           HD1      ILE  53  -1.405   9.655   6.113
  343   3HD1  ILE  53           HD1      ILE  53  -0.051   8.637   5.622
  344    H    GLN  54           H        GLN  54  -2.104   6.845  10.884
  345    HA   GLN  54           HA       GLN  54  -4.526   7.727  11.865
  346   1HB   GLN  54          2HB       GLN  54  -2.931   5.356  12.162
  347   2HB   GLN  54          1HB       GLN  54  -3.653   5.762  13.721
  348   1HG   GLN  54          2HG       GLN  54  -5.680   5.088  13.018
  349   2HG   GLN  54          1HG       GLN  54  -5.587   6.146  11.609
  350   1HE2  GLN  54          2HE2      GLN  54  -3.731   3.397   9.818
  351   2HE2  GLN  54          1HE2      GLN  54  -3.294   4.952  10.336
  352    H    THR  55           H        THR  55  -1.388   8.027  13.486
  353    HA   THR  55           HA       THR  55  -2.715   8.908  15.945
  354    HB   THR  55           HB       THR  55  -0.568   7.823  16.215
  355    HG1  THR  55           HG1      THR  55   0.107  10.513  16.580
  356   1HG2  THR  55          1HG2      THR  55   0.464   9.985  14.361
  357   2HG2  THR  55          3HG2      THR  55   1.490   8.862  15.254
  358   3HG2  THR  55          2HG2      THR  55   0.384   8.256  14.023
  359    H    HIS  56           H        HIS  56  -0.969  10.469  13.277
  360    HA   HIS  56           HA       HIS  56  -1.829  13.070  14.378
  361   1HB   HIS  56          2HB       HIS  56   0.038  13.939  13.485
  362   2HB   HIS  56          1HB       HIS  56   0.569  12.280  13.348
  363    HD1  HIS  56           HD1      HIS  56  -1.041  15.016  11.240
  364    HD2  HIS  56           HD2      HIS  56   1.035  11.451  10.766
  365    HE1  HIS  56           HE1      HIS  56  -0.184  14.988   8.850
  366    H    LEU  57           H        LEU  57  -3.505  11.007  13.064
  367    HA   LEU  57           HA       LEU  57  -4.714  12.770  11.000
  368   1HB   LEU  57          2HB       LEU  57  -3.479  10.599  10.188
  369   2HB   LEU  57          1HB       LEU  57  -4.913   9.777  10.805
  370    HG   LEU  57           HG       LEU  57  -6.264  11.471   9.423
  371   1HD1  LEU  57           HD1      LEU  57  -4.030  12.833   9.138
  372   2HD1  LEU  57           HD1      LEU  57  -3.746  11.716   7.802
  373   3HD1  LEU  57           HD1      LEU  57  -5.176  12.749   7.799
  374   1HD2  LEU  57           HD2      LEU  57  -5.273   8.972   8.845
  375   2HD2  LEU  57           HD2      LEU  57  -6.418   9.849   7.829
  376   3HD2  LEU  57           HD2      LEU  57  -4.693   9.912   7.469
  377    H    GLU  58           H        GLU  58  -5.101  10.509  13.676
  378    HA   GLU  58           HA       GLU  58  -7.885  10.043  13.546
  379   1HB   GLU  58          2HB       GLU  58  -7.742   9.875  16.064
  380   2HB   GLU  58          1HB       GLU  58  -6.547   8.903  15.205
  381   1HG   GLU  58          2HG       GLU  58  -4.806  10.132  15.993
  382   2HG   GLU  58          1HG       GLU  58  -5.668  11.656  15.782
  383    H    ASP  59           H        ASP  59  -6.114  12.933  14.422
  384    HA   ASP  59           HA       ASP  59  -8.733  14.324  14.775
  385   1HB   ASP  59          2HB       ASP  59  -7.729  14.041  16.996
  386   2HB   ASP  59          1HB       ASP  59  -6.220  14.751  16.423
  387    H    ARG  60           H        ARG  60  -7.490  14.269  12.330
  388    HA   ARG  60           HA       ARG  60  -6.590  15.652  10.659
  389   1HB   ARG  60          2HB       ARG  60  -8.088  17.362  12.517
  390   2HB   ARG  60          1HB       ARG  60  -6.841  18.233  11.622
  391   1HG   ARG  60          2HG       ARG  60  -7.803  16.927   9.556
  392   2HG   ARG  60          1HG       ARG  60  -9.234  16.749  10.574
  393   1HD   ARG  60          2HD       ARG  60  -9.148  19.262  10.942
  394   2HD   ARG  60          1HD       ARG  60  -7.923  19.325   9.674
  395    HE   ARG  60           HE       ARG  60 -10.745  18.437   9.247
  396   1HH1  ARG  60           HH2      ARG  60  -7.715  18.437   7.805
  397   2HH1  ARG  60           HH2      ARG  60  -8.215  19.218   6.342
  398   1HH2  ARG  60           HH1      ARG  60 -11.398  19.948   7.509
  399   2HH2  ARG  60           HH1      ARG  60 -10.301  20.075   6.175
   
  No H/Q in entry =         399
  Start of MODEL   12
    1   1H    THR  14          3H        THR  14 -17.638   6.497  16.209
    2   2H    THR  14          2H        THR  14 -16.661   6.720  17.581
    3   3H    THR  14          1H        THR  14 -17.426   8.052  16.854
    4    HA   THR  14           HA       THR  14 -16.073   7.881  14.914
    5    HB   THR  14           HB       THR  14 -13.777   8.082  16.027
    6    HG1  THR  14           HG1      THR  14 -13.976   6.833  17.797
    7   1HG2  THR  14          3HG2      THR  14 -15.342   9.988  15.670
    8   2HG2  THR  14          2HG2      THR  14 -16.050   9.666  17.254
    9   3HG2  THR  14          1HG2      THR  14 -14.366  10.177  17.128
   10    H    LEU  15           H        LEU  15 -14.568   6.680  13.653
   11    HA   LEU  15           HA       LEU  15 -13.932   3.936  14.630
   12   1HB   LEU  15          2HB       LEU  15 -14.929   4.501  11.827
   13   2HB   LEU  15          1HB       LEU  15 -14.681   2.929  12.585
   14    HG   LEU  15           HG       LEU  15 -16.407   3.837  14.356
   15   1HD1  LEU  15           HD1      LEU  15 -16.345   5.946  12.433
   16   2HD1  LEU  15           HD1      LEU  15 -17.922   5.163  12.319
   17   3HD1  LEU  15           HD1      LEU  15 -17.369   5.810  13.863
   18   1HD2  LEU  15           HD2      LEU  15 -16.557   2.231  12.043
   19   2HD2  LEU  15           HD2      LEU  15 -17.691   2.252  13.393
   20   3HD2  LEU  15           HD2      LEU  15 -17.976   3.277  11.986
   21    HA   PRO  16           HA       PRO  16 -10.006   4.738  12.832
   22   1HB   PRO  16          2HB       PRO  16  -9.231   2.169  12.239
   23   2HB   PRO  16          1HB       PRO  16  -9.267   2.825  13.885
   24   1HG   PRO  16          2HG       PRO  16 -11.144   0.903  12.586
   25   2HG   PRO  16          1HG       PRO  16 -10.749   1.101  14.302
   26   1HD   PRO  16          2HD       PRO  16 -13.083   2.058  13.019
   27   2HD   PRO  16          1HD       PRO  16 -12.513   2.527  14.635
   28    H    ARG  17           H        ARG  17  -8.891   4.806  10.785
   29    HA   ARG  17           HA       ARG  17  -8.687   4.687   8.439
   30   1HB   ARG  17          2HB       ARG  17  -9.548   2.281   8.862
   31   2HB   ARG  17          1HB       ARG  17 -11.125   2.909   8.381
   32   1HG   ARG  17          2HG       ARG  17  -9.193   3.841   6.492
   33   2HG   ARG  17          1HG       ARG  17  -8.967   2.102   6.695
   34   1HD   ARG  17          2HD       ARG  17 -10.663   1.975   5.171
   35   2HD   ARG  17          1HD       ARG  17 -11.677   2.224   6.592
   36    HE   ARG  17           HE       ARG  17 -10.775   4.684   5.252
   37   1HH1  ARG  17           HH2      ARG  17 -13.049   2.116   5.159
   38   2HH1  ARG  17           HH2      ARG  17 -14.392   3.132   4.755
   39   1HH2  ARG  17           HH1      ARG  17 -12.564   6.073   4.938
   40   2HH2  ARG  17           HH1      ARG  17 -14.117   5.372   4.629
   41    H    GLY  18           H        GLY  18  -9.608   6.960   9.058
   42   1HA   GLY  18          2HA       GLY  18 -12.358   7.332   7.987
   43   2HA   GLY  18          1HA       GLY  18 -11.458   8.527   8.921
   44    H    SER  19           H        SER  19  -9.200   9.019   7.708
   45    HA   SER  19           HA       SER  19  -9.628   9.189   4.786
   46   1HB   SER  19          2HB       SER  19  -9.488  11.512   6.678
   47   2HB   SER  19          1HB       SER  19  -8.826  11.681   5.055
   48    HG   SER  19           HG       SER  19 -11.445  11.420   5.913
   49    H    ILE  20           H        ILE  20  -7.729   7.890   6.784
   50    HA   ILE  20           HA       ILE  20  -5.173   9.227   6.328
   51    HB   ILE  20           HB       ILE  20  -5.738   6.435   7.357
   52   1HG1  ILE  20          2HG1      ILE  20  -5.073   8.848   9.035
   53   2HG1  ILE  20          1HG1      ILE  20  -6.744   8.503   8.583
   54   1HG2  ILE  20          2HG2      ILE  20  -3.298   8.147   7.098
   55   2HG2  ILE  20          1HG2      ILE  20  -3.442   7.116   8.522
   56   3HG2  ILE  20          3HG2      ILE  20  -3.468   6.402   6.909
   57   1HD1  ILE  20           HD1      ILE  20  -6.410   6.168   9.487
   58   2HD1  ILE  20           HD1      ILE  20  -4.858   6.711  10.122
   59   3HD1  ILE  20           HD1      ILE  20  -6.351   7.442  10.707
   60    H    ASP  21           H        ASP  21  -6.751   6.267   5.162
   61    HA   ASP  21           HA       ASP  21  -4.674   5.371   3.456
   62   1HB   ASP  21          2HB       ASP  21  -7.680   5.135   3.114
   63   2HB   ASP  21          1HB       ASP  21  -6.492   4.220   2.185
   64    H    LYS  22           H        LYS  22  -6.952   7.997   3.083
   65    HA   LYS  22           HA       LYS  22  -6.286   8.315   0.219
   66   1HB   LYS  22          2HB       LYS  22  -7.935  10.089   0.219
   67   2HB   LYS  22          1HB       LYS  22  -8.615   8.715   1.090
   68   1HG   LYS  22          2HG       LYS  22  -8.760   9.890   3.012
   69   2HG   LYS  22          1HG       LYS  22  -7.105  10.479   2.855
   70   1HD   LYS  22          2HD       LYS  22  -8.759  12.334   2.798
   71   2HD   LYS  22          1HD       LYS  22  -7.844  12.219   1.295
   72   1HE   LYS  22          2HE       LYS  22 -10.126  12.485   0.643
   73   2HE   LYS  22          1HE       LYS  22  -9.756  10.778   0.401
   74   1HZ   LYS  22          1HZ       LYS  22 -10.694  10.355   2.629
   75   2HZ   LYS  22          3HZ       LYS  22 -11.165  11.981   2.719
   76   3HZ   LYS  22          2HZ       LYS  22 -11.836  10.969   1.531
   77    H    TYR  23           H        TYR  23  -4.240   8.642   2.369
   78    HA   TYR  23           HA       TYR  23  -3.156  11.197   1.415
   79   1HB   TYR  23          2HB       TYR  23  -4.257  10.826   4.150
   80   2HB   TYR  23          1HB       TYR  23  -2.680  11.609   4.052
   81    HD1  TYR  23           HD2      TYR  23  -2.679  13.221   1.723
   82    HD2  TYR  23           HD1      TYR  23  -5.966  12.394   4.361
   83    HE1  TYR  23           HE2      TYR  23  -3.771  15.335   1.024
   84    HE2  TYR  23           HE1      TYR  23  -7.058  14.508   3.664
   85    HH   TYR  23           HH       TYR  23  -6.301  16.167   0.977
   86    H    VAL  24           H        VAL  24  -2.543   8.258   1.414
   87    HA   VAL  24           HA       VAL  24   0.169   8.444   2.658
   88    HB   VAL  24           HB       VAL  24  -1.503   6.843   3.769
   89   1HG1  VAL  24          3HG1      VAL  24  -2.372   6.058   1.496
   90   2HG1  VAL  24          2HG1      VAL  24  -0.883   5.122   1.362
   91   3HG1  VAL  24          1HG1      VAL  24  -2.019   4.790   2.670
   92   1HG2  VAL  24          2HG2      VAL  24   1.241   6.687   3.332
   93   2HG2  VAL  24          1HG2      VAL  24   0.329   5.733   4.503
   94   3HG2  VAL  24          3HG2      VAL  24   0.662   5.077   2.900
   95    H    LYS  25           H        LYS  25   1.675   8.494   1.060
   96    HA   LYS  25           HA       LYS  25   0.994   7.366  -1.597
   97   1HB   LYS  25          2HB       LYS  25   1.987   9.637  -1.473
   98   2HB   LYS  25          1HB       LYS  25   3.418   8.958  -0.698
   99   1HG   LYS  25          2HG       LYS  25   4.273   8.308  -2.679
  100   2HG   LYS  25          1HG       LYS  25   2.767   7.507  -3.128
  101   1HD   LYS  25          2HD       LYS  25   2.320  10.324  -3.239
  102   2HD   LYS  25          1HD       LYS  25   3.813   9.980  -4.113
  103   1HE   LYS  25          2HE       LYS  25   2.730   8.454  -5.578
  104   2HE   LYS  25          1HE       LYS  25   1.303   8.356  -4.547
  105   1HZ   LYS  25          2HZ       LYS  25   1.617  11.027  -5.145
  106   2HZ   LYS  25          1HZ       LYS  25   1.893  10.211  -6.609
  107   3HZ   LYS  25          3HZ       LYS  25   0.440   9.972  -5.769
  108    H    GLU  26           H        GLU  26   1.218   5.118  -1.272
  109    HA   GLU  26           HA       GLU  26   3.685   4.084  -0.046
  110   1HB   GLU  26          2HB       GLU  26   1.699   2.344  -1.470
  111   2HB   GLU  26          1HB       GLU  26   2.633   2.008  -0.013
  112   1HG   GLU  26          2HG       GLU  26   0.775   2.546   1.152
  113   2HG   GLU  26          1HG       GLU  26   1.089   4.218   0.686
  114    H    MET  27           H        MET  27   5.497   3.908  -1.250
  115    HA   MET  27           HA       MET  27   5.224   3.616  -4.196
  116   1HB   MET  27          2HB       MET  27   7.773   4.145  -2.661
  117   2HB   MET  27          1HB       MET  27   7.450   4.451  -4.369
  118   1HG   MET  27          2HG       MET  27   5.452   5.855  -2.969
  119   2HG   MET  27          1HG       MET  27   6.950   6.166  -2.090
  120   1HE   MET  27          1HE       MET  27   4.867   6.328  -5.042
  121   2HE   MET  27          3HE       MET  27   5.634   7.397  -6.224
  122   3HE   MET  27          2HE       MET  27   6.119   5.707  -6.114
  123    HA   PRO  28           HA       PRO  28   6.293  -0.652  -3.612
  124   1HB   PRO  28          2HB       PRO  28   6.508  -1.256  -6.292
  125   2HB   PRO  28          1HB       PRO  28   4.966  -1.143  -5.426
  126   1HG   PRO  28          2HG       PRO  28   6.208   0.809  -7.320
  127   2HG   PRO  28          1HG       PRO  28   4.495   0.501  -6.988
  128   1HD   PRO  28          2HD       PRO  28   5.960   2.670  -5.979
  129   2HD   PRO  28          1HD       PRO  28   4.423   2.077  -5.311
  130    H    ASP  29           H        ASP  29   8.232   1.836  -4.774
  131    HA   ASP  29           HA       ASP  29  10.534   0.084  -5.365
  132   1HB   ASP  29          2HB       ASP  29  11.638   2.020  -6.184
  133   2HB   ASP  29          1HB       ASP  29   9.963   2.222  -6.695
  134    H    LYS  30           H        LYS  30   9.145   0.601  -2.653
  135    HA   LYS  30           HA       LYS  30   9.915   0.522  -0.450
  136   1HB   LYS  30          2HB       LYS  30  12.397   0.249  -1.981
  137   2HB   LYS  30          1HB       LYS  30  12.631   1.108  -0.461
  138   1HG   LYS  30          2HG       LYS  30  11.937  -0.707   0.821
  139   2HG   LYS  30          1HG       LYS  30  10.976  -1.393  -0.488
  140   1HD   LYS  30          2HD       LYS  30  13.814  -1.202  -1.169
  141   2HD   LYS  30          1HD       LYS  30  13.525  -2.213   0.248
  142   1HE   LYS  30          2HE       LYS  30  12.306  -3.771  -0.937
  143   2HE   LYS  30          1HE       LYS  30  11.717  -2.581  -2.099
  144   1HZ   LYS  30          3HZ       LYS  30  14.582  -3.031  -2.102
  145   2HZ   LYS  30          2HZ       LYS  30  13.640  -4.342  -2.633
  146   3HZ   LYS  30          1HZ       LYS  30  13.512  -2.832  -3.403
  147    H    THR  31           H        THR  31   8.653   2.660  -1.018
  148    HA   THR  31           HA       THR  31  10.144   4.811   0.311
  149    HB   THR  31           HB       THR  31   8.749   5.654  -2.162
  150    HG1  THR  31           HG1      THR  31  10.697   5.225  -3.336
  151   1HG2  THR  31          1HG2      THR  31  10.951   6.549  -0.383
  152   2HG2  THR  31          3HG2      THR  31  11.090   6.983  -2.086
  153   3HG2  THR  31          2HG2      THR  31   9.679   7.493  -1.159
  154    H    PHE  32           H        PHE  32   8.567   6.752   0.585
  155    HA   PHE  32           HA       PHE  32   5.721   6.129   0.459
  156   1HB   PHE  32          2HB       PHE  32   7.239   5.974   3.062
  157   2HB   PHE  32          1HB       PHE  32   5.529   6.410   3.032
  158    HD1  PHE  32           HD2      PHE  32   3.871   4.835   1.958
  159    HD2  PHE  32           HD1      PHE  32   7.941   3.716   2.753
  160    HE1  PHE  32           HE2      PHE  32   3.260   2.443   1.717
  161    HE2  PHE  32           HE1      PHE  32   7.330   1.325   2.512
  162    HZ   PHE  32           HZ       PHE  32   4.989   0.688   1.992
  163    H    GLU  33           H        GLU  33   4.454   8.018   0.883
  164    HA   GLU  33           HA       GLU  33   5.902  10.454   1.742
  165   1HB   GLU  33          2HB       GLU  33   5.331   9.850  -0.999
  166   2HB   GLU  33          1HB       GLU  33   4.316  11.205  -0.504
  167   1HG   GLU  33          2HG       GLU  33   6.282  12.404   0.337
  168   2HG   GLU  33          1HG       GLU  33   7.315  11.038  -0.086
  169    H    CYS  34           H        CYS  34   4.536  10.546   3.558
  170    HA   CYS  34           HA       CYS  34   1.736  10.184   3.617
  171   1HB   CYS  34          2HB       CYS  34   3.334  10.541   5.578
  172   2HB   CYS  34          1HB       CYS  34   3.234  12.264   5.227
  173    H    LEU  35           H        LEU  35   0.487  11.163   2.049
  174    HA   LEU  35           HA       LEU  35   1.039  13.839   1.072
  175   1HB   LEU  35          2HB       LEU  35  -1.415  12.092   0.727
  176   2HB   LEU  35          1HB       LEU  35  -1.067  13.560  -0.187
  177    HG   LEU  35           HG       LEU  35   1.265  12.161  -0.508
  178   1HD1  LEU  35           HD1      LEU  35  -0.973  10.251   0.001
  179   2HD1  LEU  35           HD1      LEU  35   0.139   9.872  -1.314
  180   3HD1  LEU  35           HD1      LEU  35   0.751  10.074   0.326
  181   1HD2  LEU  35           HD2      LEU  35  -0.211  13.312  -2.216
  182   2HD2  LEU  35           HD2      LEU  35   0.510  11.802  -2.773
  183   3HD2  LEU  35           HD2      LEU  35  -1.180  11.840  -2.272
  184    H    PHE  36           H        PHE  36  -0.118  12.940   4.014
  185    HA   PHE  36           HA       PHE  36  -2.491  14.432   4.390
  186   1HB   PHE  36          2HB       PHE  36  -1.633  12.999   6.156
  187   2HB   PHE  36          1HB       PHE  36  -0.172  13.980   6.292
  188    HD1  PHE  36           HD2      PHE  36  -0.390  16.410   7.007
  189    HD2  PHE  36           HD1      PHE  36  -3.616  13.598   7.311
  190    HE1  PHE  36           HE2      PHE  36  -1.529  17.896   8.629
  191    HE2  PHE  36           HE1      PHE  36  -4.759  15.087   8.935
  192    HZ   PHE  36           HZ       PHE  36  -3.714  17.235   9.593
  193    HA   PRO  37           HA       PRO  37  -1.015  18.541   3.766
  194   1HB   PRO  37          2HB       PRO  37  -3.215  19.850   4.781
  195   2HB   PRO  37          1HB       PRO  37  -3.179  19.092   3.179
  196   1HG   PRO  37          2HG       PRO  37  -4.513  18.145   5.674
  197   2HG   PRO  37          1HG       PRO  37  -4.936  17.824   3.984
  198   1HD   PRO  37          2HD       PRO  37  -3.584  16.042   5.717
  199   2HD   PRO  37          1HD       PRO  37  -3.708  15.886   3.952
  200    H    GLY  38           H        GLY  38   0.672  18.869   5.178
  201   1HA   GLY  38          2HA       GLY  38   1.111  20.515   7.091
  202   2HA   GLY  38          1HA       GLY  38  -0.001  19.501   8.020
  203    H    CYS  39           H        CYS  39   1.153  17.174   6.339
  204    HA   CYS  39           HA       CYS  39   3.125  16.347   8.311
  205   1HB   CYS  39          2HB       CYS  39   1.499  14.870   6.931
  206   2HB   CYS  39          1HB       CYS  39   2.685  15.025   5.635
  207    H    THR  40           H        THR  40   5.325  15.512   7.502
  208    HA   THR  40           HA       THR  40   6.447  16.788   5.136
  209    HB   THR  40           HB       THR  40   6.436  18.707   6.681
  210    HG1  THR  40           HG1      THR  40   8.260  18.245   5.268
  211   1HG2  THR  40          3HG2      THR  40   7.294  16.636   8.548
  212   2HG2  THR  40          2HG2      THR  40   8.332  18.061   8.611
  213   3HG2  THR  40          1HG2      THR  40   6.596  18.222   8.878
  214    H    LYS  41           H        LYS  41   6.210  14.125   6.555
  215    HA   LYS  41           HA       LYS  41   9.139  13.517   6.602
  216   1HB   LYS  41          2HB       LYS  41   7.494  13.335   8.783
  217   2HB   LYS  41          1HB       LYS  41   7.401  11.698   8.130
  218   1HG   LYS  41          2HG       LYS  41   9.467  11.232   8.889
  219   2HG   LYS  41          1HG       LYS  41  10.128  12.620   8.025
  220   1HD   LYS  41          2HD       LYS  41  10.584  12.934  10.378
  221   2HD   LYS  41          1HD       LYS  41   9.328  14.083   9.912
  222   1HE   LYS  41          2HE       LYS  41   7.794  13.116  11.265
  223   2HE   LYS  41          1HE       LYS  41   8.247  11.492  10.749
  224   1HZ   LYS  41          2HZ       LYS  41  10.321  12.648  12.284
  225   2HZ   LYS  41          1HZ       LYS  41   8.860  12.717  13.149
  226   3HZ   LYS  41          3HZ       LYS  41   9.437  11.227  12.581
  227    H    THR  42           H        THR  42   9.770  11.913   5.260
  228    HA   THR  42           HA       THR  42   7.631  10.279   3.952
  229    HB   THR  42           HB       THR  42   8.895  10.262   1.966
  230    HG1  THR  42           HG1      THR  42  11.103  11.536   3.088
  231   1HG2  THR  42          2HG2      THR  42   9.112  12.928   3.359
  232   2HG2  THR  42          1HG2      THR  42   9.637  12.714   1.689
  233   3HG2  THR  42          3HG2      THR  42   7.953  12.426   2.127
  234    H    PHE  43           H        PHE  43   8.317   8.020   3.416
  235    HA   PHE  43           HA       PHE  43  10.585   7.054   5.086
  236   1HB   PHE  43          2HB       PHE  43   8.149   5.362   5.117
  237   2HB   PHE  43          1HB       PHE  43   9.318   5.672   6.397
  238    HD1  PHE  43           HD1      PHE  43   6.671   7.459   4.415
  239    HD2  PHE  43           HD2      PHE  43   8.688   7.040   8.187
  240    HE1  PHE  43           HE1      PHE  43   5.125   9.111   5.425
  241    HE2  PHE  43           HE2      PHE  43   7.138   8.695   9.195
  242    HZ   PHE  43           HZ       PHE  43   5.352   9.720   7.812
  243    H    LYS  44           H        LYS  44  10.541   4.427   4.659
  244    HA   LYS  44           HA       LYS  44   9.858   3.693   1.923
  245   1HB   LYS  44          2HB       LYS  44  12.401   3.203   1.471
  246   2HB   LYS  44          1HB       LYS  44  11.778   4.829   1.195
  247   1HG   LYS  44          2HG       LYS  44  13.040   5.701   2.856
  248   2HG   LYS  44          1HG       LYS  44  12.604   4.402   3.968
  249   1HD   LYS  44          2HD       LYS  44  14.421   3.117   3.401
  250   2HD   LYS  44          1HD       LYS  44  14.437   3.689   1.732
  251   1HE   LYS  44          2HE       LYS  44  15.003   5.799   3.697
  252   2HE   LYS  44          1HE       LYS  44  16.196   4.501   3.696
  253   1HZ   LYS  44          2HZ       LYS  44  16.224   4.758   1.208
  254   2HZ   LYS  44          1HZ       LYS  44  15.353   6.201   1.424
  255   3HZ   LYS  44          3HZ       LYS  44  16.905   6.040   2.091
  256    H    ARG  45           H        ARG  45   9.179   1.627   2.324
  257    HA   ARG  45           HA       ARG  45  10.718  -0.560   2.925
  258   1HB   ARG  45          2HB       ARG  45  11.512   0.259   5.009
  259   2HB   ARG  45          1HB       ARG  45   9.921   0.857   5.474
  260   1HG   ARG  45          2HG       ARG  45   9.149  -1.253   6.052
  261   2HG   ARG  45          1HG       ARG  45  10.245  -2.072   4.938
  262   1HD   ARG  45          2HD       ARG  45  11.221  -0.590   7.389
  263   2HD   ARG  45          1HD       ARG  45  10.814  -2.306   7.413
  264    HE   ARG  45           HE       ARG  45  13.080  -1.094   5.920
  265   1HH1  ARG  45           HH2      ARG  45  11.710  -3.468   4.563
  266   2HH1  ARG  45           HH2      ARG  45  12.680  -4.782   5.140
  267   1HH2  ARG  45           HH1      ARG  45  14.133  -2.936   7.691
  268   2HH2  ARG  45           HH1      ARG  45  14.051  -4.481   6.912
  269    H    ARG  46           H        ARG  46   8.089   0.028   5.195
  270    HA   ARG  46           HA       ARG  46   6.315  -1.633   3.451
  271   1HB   ARG  46          2HB       ARG  46   7.413  -2.503   5.797
  272   2HB   ARG  46          1HB       ARG  46   5.892  -1.818   6.369
  273   1HG   ARG  46          2HG       ARG  46   4.616  -3.371   5.261
  274   2HG   ARG  46          1HG       ARG  46   5.758  -3.508   3.924
  275   1HD   ARG  46          2HD       ARG  46   7.183  -4.465   6.121
  276   2HD   ARG  46          1HD       ARG  46   5.559  -5.113   6.351
  277    HE   ARG  46           HE       ARG  46   6.091  -6.611   4.624
  278   1HH1  ARG  46           HH1      ARG  46   5.813  -5.484   2.207
  279   2HH1  ARG  46           HH1      ARG  46   7.387  -5.113   1.588
  280   1HH2  ARG  46           HH2      ARG  46   8.943  -5.317   4.680
  281   2HH2  ARG  46           HH2      ARG  46   9.160  -5.019   2.987
  282    H    TYR  47           H        TYR  47   4.038  -1.512   5.050
  283    HA   TYR  47           HA       TYR  47   3.255   1.310   4.631
  284   1HB   TYR  47          2HB       TYR  47   1.071  -0.159   5.697
  285   2HB   TYR  47          1HB       TYR  47   1.282   0.394   4.039
  286    HD1  TYR  47           HD2      TYR  47   2.170  -1.089   2.321
  287    HD2  TYR  47           HD1      TYR  47   1.629  -2.433   6.362
  288    HE1  TYR  47           HE2      TYR  47   2.432  -3.441   1.568
  289    HE2  TYR  47           HE1      TYR  47   1.888  -4.787   5.613
  290    HH   TYR  47           HH       TYR  47   2.685  -5.564   2.237
  291    H    ASN  48           H        ASN  48   5.027   0.801   6.827
  292    HA   ASN  48           HA       ASN  48   3.403   0.678   9.240
  293   1HB   ASN  48          2HB       ASN  48   6.263   1.654   9.062
  294   2HB   ASN  48          1HB       ASN  48   5.455   0.914  10.444
  295   1HD2  ASN  48           HD2      ASN  48   5.421  -2.355   8.636
  296   2HD2  ASN  48           HD2      ASN  48   4.235  -1.324   9.277
  297    H    ILE  49           H        ILE  49   4.665   3.115   7.118
  298    HA   ILE  49           HA       ILE  49   4.400   5.355   8.898
  299    HB   ILE  49           HB       ILE  49   4.998   6.658   7.109
  300   1HG1  ILE  49          2HG1      ILE  49   2.713   6.385   6.061
  301   2HG1  ILE  49          1HG1      ILE  49   4.028   6.569   4.903
  302   1HG2  ILE  49          2HG2      ILE  49   6.445   4.591   7.028
  303   2HG2  ILE  49          1HG2      ILE  49   5.407   3.994   5.734
  304   3HG2  ILE  49          3HG2      ILE  49   6.337   5.467   5.505
  305   1HD1  ILE  49           HD1      ILE  49   3.885   3.816   5.407
  306   2HD1  ILE  49           HD1      ILE  49   2.210   4.346   5.256
  307   3HD1  ILE  49           HD1      ILE  49   3.354   4.655   3.950
  308    H    ARG  50           H        ARG  50   2.157   3.433   7.074
  309    HA   ARG  50           HA       ARG  50  -0.063   5.197   6.923
  310   1HB   ARG  50          2HB       ARG  50  -0.026   2.201   7.432
  311   2HB   ARG  50          1HB       ARG  50  -1.451   3.126   6.958
  312   1HG   ARG  50          2HG       ARG  50   0.259   3.929   5.027
  313   2HG   ARG  50          1HG       ARG  50   0.905   2.317   5.337
  314   1HD   ARG  50          2HD       ARG  50  -1.249   1.301   4.911
  315   2HD   ARG  50          1HD       ARG  50  -2.025   2.881   4.808
  316    HE   ARG  50           HE       ARG  50  -0.112   3.019   2.838
  317   1HH1  ARG  50           HH2      ARG  50  -0.277   0.019   2.712
  318   2HH1  ARG  50           HH2      ARG  50  -1.521  -0.221   1.532
  319   1HH2  ARG  50           HH1      ARG  50  -2.705   3.033   1.733
  320   2HH2  ARG  50           HH1      ARG  50  -2.898   1.486   0.978
  321    H    SER  51           H        SER  51   1.251   3.275   9.570
  322    HA   SER  51           HA       SER  51  -0.934   3.883  11.398
  323   1HB   SER  51          2HB       SER  51   0.597   1.899  11.667
  324   2HB   SER  51          1HB       SER  51   1.904   3.016  12.047
  325    HG   SER  51           HG       SER  51  -0.105   2.104  13.611
  326    H    HIS  52           H        HIS  52   2.230   5.207  10.589
  327    HA   HIS  52           HA       HIS  52   2.502   7.099  12.673
  328   1HB   HIS  52          2HB       HIS  52   4.403   7.301  11.419
  329   2HB   HIS  52          1HB       HIS  52   3.598   6.706   9.972
  330    HD1  HIS  52           HD1      HIS  52   5.203   9.647  11.181
  331    HD2  HIS  52           HD2      HIS  52   1.788   8.979   8.894
  332    HE1  HIS  52           HE1      HIS  52   4.654  11.845  10.045
  333    H    ILE  53           H        ILE  53   0.626   7.259   9.682
  334    HA   ILE  53           HA       ILE  53  -0.248   9.987  10.187
  335    HB   ILE  53           HB       ILE  53  -2.183   8.596   8.579
  336   1HG1  ILE  53          2HG1      ILE  53   0.698   8.099   7.759
  337   2HG1  ILE  53          1HG1      ILE  53  -0.475   6.865   8.206
  338   1HG2  ILE  53          3HG2      ILE  53  -0.072  10.691   8.150
  339   2HG2  ILE  53          2HG2      ILE  53  -1.027  10.092   6.795
  340   3HG2  ILE  53          1HG2      ILE  53  -1.825  10.869   8.161
  341   1HD1  ILE  53           HD1      ILE  53  -1.399   8.718   6.111
  342   2HD1  ILE  53           HD1      ILE  53  -0.027   7.713   5.642
  343   3HD1  ILE  53           HD1      ILE  53  -1.525   6.961   6.194
  344    H    GLN  54           H        GLN  54  -1.656   6.757  10.659
  345    HA   GLN  54           HA       GLN  54  -4.158   7.477  11.650
  346   1HB   GLN  54          2HB       GLN  54  -2.443   5.172  11.833
  347   2HB   GLN  54          1HB       GLN  54  -3.171   5.472  13.410
  348   1HG   GLN  54          2HG       GLN  54  -4.929   4.310  12.541
  349   2HG   GLN  54          1HG       GLN  54  -5.324   5.855  11.790
  350   1HE2  GLN  54          2HE2      GLN  54  -3.431   4.621   8.735
  351   2HE2  GLN  54          1HE2      GLN  54  -3.080   5.824   9.880
  352    H    THR  55           H        THR  55  -1.018   7.888  13.192
  353    HA   THR  55           HA       THR  55  -2.238   8.562  15.758
  354    HB   THR  55           HB       THR  55   0.480   9.580  15.229
  355    HG1  THR  55           HG1      THR  55   1.055   7.855  14.190
  356   1HG2  THR  55          3HG2      THR  55  -0.575   9.377  17.476
  357   2HG2  THR  55          2HG2      THR  55  -0.626   7.627  17.265
  358   3HG2  THR  55          1HG2      THR  55   0.927   8.459  17.350
  359    H    HIS  56           H        HIS  56  -0.554  10.441  13.236
  360    HA   HIS  56           HA       HIS  56  -1.757  12.875  14.381
  361   1HB   HIS  56          2HB       HIS  56  -0.013  14.005  13.488
  362   2HB   HIS  56          1HB       HIS  56   0.732  12.423  13.452
  363    HD1  HIS  56           HD1      HIS  56  -0.958  14.942  11.180
  364    HD2  HIS  56           HD2      HIS  56   1.292  11.456  10.903
  365    HE1  HIS  56           HE1      HIS  56  -0.028  14.864   8.816
  366    H    LEU  57           H        LEU  57  -3.269  10.772  12.988
  367    HA   LEU  57           HA       LEU  57  -4.749  12.535  11.177
  368   1HB   LEU  57          2HB       LEU  57  -2.914  11.251   9.872
  369   2HB   LEU  57          1HB       LEU  57  -3.906   9.823  10.157
  370    HG   LEU  57           HG       LEU  57  -5.737  10.720   8.929
  371   1HD1  LEU  57           HD1      LEU  57  -4.303  13.299   9.400
  372   2HD1  LEU  57           HD1      LEU  57  -5.296  13.158   7.949
  373   3HD1  LEU  57           HD1      LEU  57  -6.021  12.934   9.541
  374   1HD2  LEU  57           HD2      LEU  57  -3.644   9.995   7.632
  375   2HD2  LEU  57           HD2      LEU  57  -4.790  11.008   6.754
  376   3HD2  LEU  57           HD2      LEU  57  -3.313  11.713   7.413
  377    H    GLU  58           H        GLU  58  -4.714  10.160  13.570
  378    HA   GLU  58           HA       GLU  58  -6.733   8.355  13.044
  379   1HB   GLU  58          2HB       GLU  58  -7.418   8.664  15.477
  380   2HB   GLU  58          1HB       GLU  58  -5.704   8.344  15.212
  381   1HG   GLU  58          2HG       GLU  58  -5.539  10.975  15.090
  382   2HG   GLU  58          1HG       GLU  58  -7.052  10.907  15.998
  383    H    ASP  59           H        ASP  59  -7.168  11.784  13.905
  384    HA   ASP  59           HA       ASP  59  -9.668  11.903  12.429
  385   1HB   ASP  59          2HB       ASP  59 -10.884  12.688  14.637
  386   2HB   ASP  59          1HB       ASP  59 -10.793  10.970  14.245
  387    H    ARG  60           H        ARG  60  -7.582  13.393  14.892
  388    HA   ARG  60           HA       ARG  60  -8.385  16.081  13.904
  389   1HB   ARG  60          2HB       ARG  60  -8.343  15.688  16.361
  390   2HB   ARG  60          1HB       ARG  60  -6.623  15.318  16.253
  391   1HG   ARG  60          2HG       ARG  60  -6.467  17.650  15.065
  392   2HG   ARG  60          1HG       ARG  60  -8.016  17.950  15.853
  393   1HD   ARG  60          2HD       ARG  60  -6.025  18.694  17.205
  394   2HD   ARG  60          1HD       ARG  60  -7.063  17.536  18.036
  395    HE   ARG  60           HE       ARG  60  -4.968  16.157  16.623
  396   1HH1  ARG  60           HH1      ARG  60  -5.558  15.162  19.229
  397   2HH1  ARG  60           HH1      ARG  60  -4.313  15.807  20.245
  398   1HH2  ARG  60           HH2      ARG  60  -3.383  18.274  17.992
  399   2HH2  ARG  60           HH2      ARG  60  -3.082  17.570  19.546
   
  No H/Q in entry =         399
  Start of MODEL   13
    1   1H    THR  14          2H        THR  14 -16.452  -2.253   5.662
    2   2H    THR  14          1H        THR  14 -17.787  -2.034   4.634
    3   3H    THR  14          3H        THR  14 -16.688  -3.292   4.339
    4    HA   THR  14           HA       THR  14 -16.152  -1.639   2.780
    5    HB   THR  14           HB       THR  14 -15.501   0.618   4.355
    6    HG1  THR  14           HG1      THR  14 -16.814   0.157   5.984
    7   1HG2  THR  14          3HG2      THR  14 -17.149  -0.129   2.097
    8   2HG2  THR  14          2HG2      THR  14 -17.971   1.075   3.090
    9   3HG2  THR  14          1HG2      THR  14 -16.368   1.415   2.438
   10    H    LEU  15           H        LEU  15 -14.037  -1.889   2.231
   11    HA   LEU  15           HA       LEU  15 -12.064  -2.987   3.850
   12   1HB   LEU  15          2HB       LEU  15 -11.984  -1.274   1.396
   13   2HB   LEU  15          1HB       LEU  15 -10.469  -1.579   2.247
   14    HG   LEU  15           HG       LEU  15 -10.994  -4.037   2.162
   15   1HD1  LEU  15           HD1      LEU  15 -13.243  -3.024   0.398
   16   2HD1  LEU  15           HD1      LEU  15 -12.724  -4.708   0.460
   17   3HD1  LEU  15           HD1      LEU  15 -13.402  -3.941   1.896
   18   1HD2  LEU  15           HD2      LEU  15  -9.930  -2.366   0.207
   19   2HD2  LEU  15           HD2      LEU  15  -9.791  -4.123   0.246
   20   3HD2  LEU  15           HD2      LEU  15 -11.082  -3.361  -0.683
   21    HA   PRO  16           HA       PRO  16 -10.652   0.177   6.542
   22   1HB   PRO  16          2HB       PRO  16  -7.975  -0.431   6.683
   23   2HB   PRO  16          1HB       PRO  16  -9.240  -1.391   7.471
   24   1HG   PRO  16          2HG       PRO  16  -7.667  -2.015   5.015
   25   2HG   PRO  16          1HG       PRO  16  -8.431  -3.120   6.169
   26   1HD   PRO  16          2HD       PRO  16  -9.452  -2.418   3.625
   27   2HD   PRO  16          1HD       PRO  16 -10.350  -3.241   4.919
   28    H    ARG  17           H        ARG  17 -10.878   2.139   5.353
   29    HA   ARG  17           HA       ARG  17  -8.460   3.492   4.615
   30   1HB   ARG  17          2HB       ARG  17  -9.121   3.768   2.144
   31   2HB   ARG  17          1HB       ARG  17  -8.412   2.220   2.604
   32   1HG   ARG  17          2HG       ARG  17 -10.246   1.213   1.772
   33   2HG   ARG  17          1HG       ARG  17 -11.172   1.946   3.083
   34   1HD   ARG  17          2HD       ARG  17 -10.739   3.961   1.115
   35   2HD   ARG  17          1HD       ARG  17 -11.311   2.517   0.279
   36    HE   ARG  17           HE       ARG  17 -12.866   3.152   2.667
   37   1HH1  ARG  17           HH2      ARG  17 -12.415   5.122   0.081
   38   2HH1  ARG  17           HH2      ARG  17 -14.018   4.998  -0.563
   39   1HH2  ARG  17           HH1      ARG  17 -14.932   2.373   1.509
   40   2HH2  ARG  17           HH1      ARG  17 -15.444   3.441   0.245
   41    H    GLY  18           H        GLY  18  -9.941   4.661   6.255
   42   1HA   GLY  18          2HA       GLY  18 -12.132   6.162   4.926
   43   2HA   GLY  18          1HA       GLY  18 -11.825   6.123   6.663
   44    H    SER  19           H        SER  19  -8.833   6.479   5.537
   45    HA   SER  19           HA       SER  19  -8.674   9.124   4.507
   46   1HB   SER  19          2HB       SER  19  -9.577  10.032   6.489
   47   2HB   SER  19          1HB       SER  19  -8.733   8.871   7.511
   48    HG   SER  19           HG       SER  19  -7.326  10.686   5.872
   49    H    ILE  20           H        ILE  20  -7.242   6.615   6.518
   50    HA   ILE  20           HA       ILE  20  -4.534   7.468   6.421
   51    HB   ILE  20           HB       ILE  20  -5.256   4.558   6.219
   52   1HG1  ILE  20          2HG1      ILE  20  -6.927   5.260   7.754
   53   2HG1  ILE  20          1HG1      ILE  20  -5.593   4.725   8.774
   54   1HG2  ILE  20          1HG2      ILE  20  -2.882   5.413   6.442
   55   2HG2  ILE  20          3HG2      ILE  20  -3.328   6.028   8.034
   56   3HG2  ILE  20          2HG2      ILE  20  -3.386   4.295   7.709
   57   1HD1  ILE  20           HD1      ILE  20  -4.915   7.335   8.414
   58   2HD1  ILE  20           HD1      ILE  20  -6.674   7.450   8.359
   59   3HD1  ILE  20           HD1      ILE  20  -5.880   6.756   9.772
   60    H    ASP  21           H        ASP  21  -6.381   5.419   4.184
   61    HA   ASP  21           HA       ASP  21  -4.136   5.168   2.337
   62   1HB   ASP  21          2HB       ASP  21  -6.980   4.276   2.417
   63   2HB   ASP  21          1HB       ASP  21  -6.228   4.421   0.827
   64    H    LYS  22           H        LYS  22  -6.414   7.588   3.009
   65    HA   LYS  22           HA       LYS  22  -6.444   8.661   0.257
   66   1HB   LYS  22          2HB       LYS  22  -8.351   8.737   2.117
   67   2HB   LYS  22          1HB       LYS  22  -7.496  10.205   2.593
   68   1HG   LYS  22          2HG       LYS  22  -7.805  10.076  -0.291
   69   2HG   LYS  22          1HG       LYS  22  -9.369   9.960   0.517
   70   1HD   LYS  22          2HD       LYS  22  -7.751  11.961   1.822
   71   2HD   LYS  22          1HD       LYS  22  -7.832  12.296   0.092
   72   1HE   LYS  22          2HE       LYS  22 -10.437  11.539   0.779
   73   2HE   LYS  22          1HE       LYS  22  -9.907  12.565   2.112
   74   1HZ   LYS  22          3HZ       LYS  22  -9.478  13.355  -0.701
   75   2HZ   LYS  22          2HZ       LYS  22 -10.942  13.687   0.093
   76   3HZ   LYS  22          1HZ       LYS  22  -9.488  14.334   0.685
   77    H    TYR  23           H        TYR  23  -4.213   8.636   2.654
   78    HA   TYR  23           HA       TYR  23  -3.018  11.159   1.670
   79   1HB   TYR  23          2HB       TYR  23  -3.964  10.663   4.448
   80   2HB   TYR  23          1HB       TYR  23  -2.394  11.451   4.275
   81    HD1  TYR  23           HD2      TYR  23  -2.659  13.057   1.877
   82    HD2  TYR  23           HD1      TYR  23  -5.540  12.320   4.976
   83    HE1  TYR  23           HE2      TYR  23  -3.791  15.193   1.329
   84    HE2  TYR  23           HE1      TYR  23  -6.673  14.457   4.429
   85    HH   TYR  23           HH       TYR  23  -5.561  16.487   1.723
   86    H    VAL  24           H        VAL  24  -2.539   8.141   1.604
   87    HA   VAL  24           HA       VAL  24   0.240   8.196   2.717
   88    HB   VAL  24           HB       VAL  24  -1.375   6.492   3.698
   89   1HG1  VAL  24          3HG1      VAL  24  -2.529   6.015   1.534
   90   2HG1  VAL  24          2HG1      VAL  24  -1.055   5.238   0.955
   91   3HG1  VAL  24          1HG1      VAL  24  -1.933   4.554   2.322
   92   1HG2  VAL  24          1HG2      VAL  24   1.055   5.448   2.206
   93   2HG2  VAL  24          3HG2      VAL  24   1.077   6.209   3.797
   94   3HG2  VAL  24          2HG2      VAL  24   0.276   4.653   3.574
   95    H    LYS  25           H        LYS  25   1.827   8.142   1.185
   96    HA   LYS  25           HA       LYS  25   1.027   7.377  -1.588
   97   1HB   LYS  25          2HB       LYS  25   2.084   9.693  -0.944
   98   2HB   LYS  25          1HB       LYS  25   3.596   8.785  -0.918
   99   1HG   LYS  25          2HG       LYS  25   3.080   7.960  -3.227
  100   2HG   LYS  25          1HG       LYS  25   1.667   9.017  -3.246
  101   1HD   LYS  25          2HD       LYS  25   3.512  10.823  -2.510
  102   2HD   LYS  25          1HD       LYS  25   4.559   9.717  -3.398
  103   1HE   LYS  25          2HE       LYS  25   1.994  10.914  -4.486
  104   2HE   LYS  25          1HE       LYS  25   3.617  11.498  -4.861
  105   1HZ   LYS  25          1HZ       LYS  25   3.813   8.856  -5.355
  106   2HZ   LYS  25          3HZ       LYS  25   2.223   9.178  -5.849
  107   3HZ   LYS  25          2HZ       LYS  25   3.514  10.044  -6.533
  108    H    GLU  26           H        GLU  26   1.297   5.073  -1.127
  109    HA   GLU  26           HA       GLU  26   3.950   4.103  -0.331
  110   1HB   GLU  26          2HB       GLU  26   2.969   1.861  -0.703
  111   2HB   GLU  26          1HB       GLU  26   1.919   2.852   0.311
  112   1HG   GLU  26          2HG       GLU  26   0.975   3.509  -2.153
  113   2HG   GLU  26          1HG       GLU  26   1.482   1.844  -2.441
  114    H    MET  27           H        MET  27   5.546   4.371  -1.849
  115    HA   MET  27           HA       MET  27   4.888   4.160  -4.712
  116   1HB   MET  27          2HB       MET  27   7.598   4.610  -3.442
  117   2HB   MET  27          1HB       MET  27   7.129   4.953  -5.107
  118   1HG   MET  27          2HG       MET  27   5.238   6.360  -3.701
  119   2HG   MET  27          1HG       MET  27   6.654   6.529  -2.663
  120   1HE   MET  27          1HE       MET  27   7.624   8.285  -2.609
  121   2HE   MET  27          3HE       MET  27   9.040   8.016  -3.633
  122   3HE   MET  27          2HE       MET  27   8.064   9.469  -3.836
  123    HA   PRO  28           HA       PRO  28   6.034  -0.099  -4.890
  124   1HB   PRO  28          2HB       PRO  28   6.214  -0.264  -7.636
  125   2HB   PRO  28          1HB       PRO  28   4.682  -0.282  -6.744
  126   1HG   PRO  28          2HG       PRO  28   5.920   1.942  -8.313
  127   2HG   PRO  28          1HG       PRO  28   4.208   1.594  -8.017
  128   1HD   PRO  28          2HD       PRO  28   5.696   3.565  -6.688
  129   2HD   PRO  28          1HD       PRO  28   4.164   2.875  -6.106
  130    H    ASP  29           H        ASP  29   7.974   2.535  -5.674
  131    HA   ASP  29           HA       ASP  29  10.264   0.909  -6.578
  132   1HB   ASP  29          2HB       ASP  29  11.416   3.234  -6.464
  133   2HB   ASP  29          1HB       ASP  29  10.202   2.978  -7.718
  134    H    LYS  30           H        LYS  30   8.894   0.921  -3.815
  135    HA   LYS  30           HA       LYS  30   9.664   0.437  -1.663
  136   1HB   LYS  30          2HB       LYS  30  12.132   0.407  -3.241
  137   2HB   LYS  30          1HB       LYS  30  12.390   0.952  -1.585
  138   1HG   LYS  30          2HG       LYS  30  12.560  -1.550  -1.915
  139   2HG   LYS  30          1HG       LYS  30  11.385  -1.049  -0.698
  140   1HD   LYS  30          2HD       LYS  30   9.626  -1.822  -1.907
  141   2HD   LYS  30          1HD       LYS  30  10.284  -1.206  -3.424
  142   1HE   LYS  30          2HE       LYS  30  12.056  -3.201  -2.898
  143   2HE   LYS  30          1HE       LYS  30  10.594  -3.875  -2.177
  144   1HZ   LYS  30          1HZ       LYS  30   9.825  -2.767  -4.585
  145   2HZ   LYS  30          3HZ       LYS  30  11.265  -3.600  -4.913
  146   3HZ   LYS  30          2HZ       LYS  30   9.953  -4.418  -4.210
  147    H    THR  31           H        THR  31   8.472   2.739  -1.841
  148    HA   THR  31           HA       THR  31  10.087   4.511  -0.129
  149    HB   THR  31           HB       THR  31   8.674   5.760  -2.448
  150    HG1  THR  31           HG1      THR  31  11.362   4.870  -2.421
  151   1HG2  THR  31          2HG2      THR  31  10.536   6.541  -0.310
  152   2HG2  THR  31          1HG2      THR  31  10.953   7.179  -1.900
  153   3HG2  THR  31          3HG2      THR  31   9.370   7.520  -1.199
  154    H    PHE  32           H        PHE  32   8.541   6.534   0.388
  155    HA   PHE  32           HA       PHE  32   5.691   5.925   0.381
  156   1HB   PHE  32          2HB       PHE  32   7.383   5.162   2.665
  157   2HB   PHE  32          1HB       PHE  32   6.015   6.183   3.110
  158    HD1  PHE  32           HD2      PHE  32   3.703   5.450   2.694
  159    HD2  PHE  32           HD1      PHE  32   7.055   2.936   1.745
  160    HE1  PHE  32           HE2      PHE  32   2.183   3.503   2.483
  161    HE2  PHE  32           HE1      PHE  32   5.534   0.989   1.533
  162    HZ   PHE  32           HZ       PHE  32   3.098   1.272   1.902
  163    H    GLU  33           H        GLU  33   4.485   7.808   0.960
  164    HA   GLU  33           HA       GLU  33   5.980  10.106   2.056
  165   1HB   GLU  33          2HB       GLU  33   6.077   9.915  -0.593
  166   2HB   GLU  33          1HB       GLU  33   4.469  10.630  -0.469
  167   1HG   GLU  33          2HG       GLU  33   5.296  12.647   0.134
  168   2HG   GLU  33          1HG       GLU  33   6.430  11.929   1.279
  169    H    CYS  34           H        CYS  34   4.607  10.477   3.744
  170    HA   CYS  34           HA       CYS  34   1.751  10.148   3.658
  171   1HB   CYS  34          2HB       CYS  34   3.193  10.247   5.738
  172   2HB   CYS  34          1HB       CYS  34   3.359  11.979   5.469
  173    H    LEU  35           H        LEU  35   0.768  11.294   1.976
  174    HA   LEU  35           HA       LEU  35   1.588  13.995   1.298
  175   1HB   LEU  35          2HB       LEU  35  -0.593  13.892  -0.095
  176   2HB   LEU  35          1HB       LEU  35   0.717  12.793  -0.524
  177    HG   LEU  35           HG       LEU  35  -1.174  11.773   1.514
  178   1HD1  LEU  35           HD1      LEU  35  -1.979  12.165  -1.387
  179   2HD1  LEU  35           HD1      LEU  35  -2.855  11.174  -0.221
  180   3HD1  LEU  35           HD1      LEU  35  -2.742  12.918   0.014
  181   1HD2  LEU  35           HD2      LEU  35   0.828  10.657   0.170
  182   2HD2  LEU  35           HD2      LEU  35  -0.618   9.726   0.557
  183   3HD2  LEU  35           HD2      LEU  35  -0.419  10.417  -1.053
  184    H    PHE  36           H        PHE  36   0.065  13.040   4.012
  185    HA   PHE  36           HA       PHE  36  -2.298  14.577   4.190
  186   1HB   PHE  36          2HB       PHE  36  -1.661  13.117   6.008
  187   2HB   PHE  36          1HB       PHE  36  -0.167  14.016   6.271
  188    HD1  PHE  36           HD2      PHE  36  -0.300  16.428   7.036
  189    HD2  PHE  36           HD1      PHE  36  -3.705  13.817   6.988
  190    HE1  PHE  36           HE2      PHE  36  -1.476  17.937   8.607
  191    HE2  PHE  36           HE1      PHE  36  -4.885  15.329   8.558
  192    HZ   PHE  36           HZ       PHE  36  -3.775  17.391   9.366
  193    HA   PRO  37           HA       PRO  37  -0.721  18.667   3.782
  194   1HB   PRO  37          2HB       PRO  37  -2.937  20.005   4.727
  195   2HB   PRO  37          1HB       PRO  37  -2.842  19.284   3.110
  196   1HG   PRO  37          2HG       PRO  37  -4.312  18.310   5.516
  197   2HG   PRO  37          1HG       PRO  37  -4.664  18.038   3.802
  198   1HD   PRO  37          2HD       PRO  37  -3.435  16.185   5.547
  199   2HD   PRO  37          1HD       PRO  37  -3.475  16.074   3.775
  200    H    GLY  38           H        GLY  38   0.910  18.848   5.294
  201   1HA   GLY  38          2HA       GLY  38   1.312  20.468   7.249
  202   2HA   GLY  38          1HA       GLY  38   0.127  19.475   8.106
  203    H    CYS  39           H        CYS  39   1.306  17.153   6.414
  204    HA   CYS  39           HA       CYS  39   3.135  16.215   8.474
  205   1HB   CYS  39          2HB       CYS  39   1.557  14.817   6.979
  206   2HB   CYS  39          1HB       CYS  39   2.804  14.978   5.743
  207    H    THR  40           H        THR  40   5.359  15.342   7.793
  208    HA   THR  40           HA       THR  40   6.655  16.675   5.536
  209    HB   THR  40           HB       THR  40   6.695  18.498   7.166
  210    HG1  THR  40           HG1      THR  40   9.095  18.432   7.530
  211   1HG2  THR  40          2HG2      THR  40   7.487  16.271   8.978
  212   2HG2  THR  40          1HG2      THR  40   8.221  17.848   9.274
  213   3HG2  THR  40          3HG2      THR  40   6.467  17.673   9.298
  214    H    LYS  41           H        LYS  41   6.212  13.936   6.682
  215    HA   LYS  41           HA       LYS  41   9.094  13.155   6.900
  216   1HB   LYS  41          2HB       LYS  41   6.714  12.324   8.506
  217   2HB   LYS  41          1HB       LYS  41   7.952  11.110   8.173
  218   1HG   LYS  41          2HG       LYS  41   9.500  12.134   9.501
  219   2HG   LYS  41          1HG       LYS  41   8.966  13.754   9.047
  220   1HD   LYS  41          2HD       LYS  41   7.390  11.919  10.872
  221   2HD   LYS  41          1HD       LYS  41   8.506  13.154  11.455
  222   1HE   LYS  41          2HE       LYS  41   7.207  14.892  10.292
  223   2HE   LYS  41          1HE       LYS  41   6.098  13.664   9.682
  224   1HZ   LYS  41          3HZ       LYS  41   6.317  13.318  12.438
  225   2HZ   LYS  41          2HZ       LYS  41   6.061  14.975  12.164
  226   3HZ   LYS  41          1HZ       LYS  41   4.962  13.830  11.557
  227    H    THR  42           H        THR  42   9.686  11.235   5.806
  228    HA   THR  42           HA       THR  42   7.583   9.989   4.090
  229    HB   THR  42           HB       THR  42   8.852  10.191   2.144
  230    HG1  THR  42           HG1      THR  42  11.143  10.880   2.392
  231   1HG2  THR  42          2HG2      THR  42   8.314  12.479   3.530
  232   2HG2  THR  42          1HG2      THR  42  10.045  12.655   3.244
  233   3HG2  THR  42          3HG2      THR  42   8.943  12.446   1.883
  234    H    PHE  43           H        PHE  43   7.970   7.745   3.644
  235    HA   PHE  43           HA       PHE  43  10.281   6.560   5.127
  236   1HB   PHE  43          2HB       PHE  43   7.668   5.099   4.982
  237   2HB   PHE  43          1HB       PHE  43   8.933   5.008   6.208
  238    HD1  PHE  43           HD1      PHE  43   6.397   7.368   4.781
  239    HD2  PHE  43           HD2      PHE  43   8.720   6.223   8.209
  240    HE1  PHE  43           HE1      PHE  43   5.194   9.045   6.155
  241    HE2  PHE  43           HE2      PHE  43   7.515   7.899   9.584
  242    HZ   PHE  43           HZ       PHE  43   5.753   9.311   8.556
  243    H    LYS  44           H        LYS  44  10.184   3.991   4.433
  244    HA   LYS  44           HA       LYS  44   9.641   3.803   1.525
  245   1HB   LYS  44          2HB       LYS  44  12.337   2.972   2.591
  246   2HB   LYS  44          1HB       LYS  44  11.854   3.241   0.917
  247   1HG   LYS  44          2HG       LYS  44  11.422   5.683   1.627
  248   2HG   LYS  44          1HG       LYS  44  12.358   5.294   3.070
  249   1HD   LYS  44          2HD       LYS  44  14.280   4.671   1.724
  250   2HD   LYS  44          1HD       LYS  44  13.350   4.871   0.238
  251   1HE   LYS  44          2HE       LYS  44  13.207   7.226   0.516
  252   2HE   LYS  44          1HE       LYS  44  13.724   7.137   2.199
  253   1HZ   LYS  44          1HZ       LYS  44  15.871   6.219   1.335
  254   2HZ   LYS  44          3HZ       LYS  44  15.355   6.642  -0.225
  255   3HZ   LYS  44          2HZ       LYS  44  15.577   7.848   0.950
  256    H    ARG  45           H        ARG  45   8.815   1.825   1.051
  257    HA   ARG  45           HA       ARG  45   7.938  -0.317   1.519
  258   1HB   ARG  45          2HB       ARG  45  10.117  -0.928   0.661
  259   2HB   ARG  45          1HB       ARG  45  10.873  -0.600   2.221
  260   1HG   ARG  45          2HG       ARG  45  10.585  -2.977   2.100
  261   2HG   ARG  45          1HG       ARG  45   9.344  -2.380   3.204
  262   1HD   ARG  45          2HD       ARG  45   7.891  -3.530   1.896
  263   2HD   ARG  45          1HD       ARG  45   8.083  -2.192   0.762
  264    HE   ARG  45           HE       ARG  45   9.850  -3.565  -0.367
  265   1HH1  ARG  45           HH2      ARG  45   8.586  -5.228   2.291
  266   2HH1  ARG  45           HH2      ARG  45   8.378  -6.733   1.460
  267   1HH2  ARG  45           HH1      ARG  45   9.193  -5.432  -1.650
  268   2HH2  ARG  45           HH1      ARG  45   8.720  -6.849  -0.771
  269    H    ARG  46           H        ARG  46   6.561   0.197   3.309
  270    HA   ARG  46           HA       ARG  46   6.954  -1.258   5.674
  271   1HB   ARG  46          2HB       ARG  46   8.609   1.018   5.661
  272   2HB   ARG  46          1HB       ARG  46   7.263   1.426   6.727
  273   1HG   ARG  46          2HG       ARG  46   7.665  -0.975   7.707
  274   2HG   ARG  46          1HG       ARG  46   9.260  -0.807   6.974
  275   1HD   ARG  46          2HD       ARG  46   8.272   1.506   8.565
  276   2HD   ARG  46          1HD       ARG  46   8.724   0.058   9.465
  277    HE   ARG  46           HE       ARG  46  10.667   1.109   7.484
  278   1HH1  ARG  46           HH2      ARG  46  10.794  -0.859   9.987
  279   2HH1  ARG  46           HH2      ARG  46  11.842   0.076  11.001
  280   1HH2  ARG  46           HH1      ARG  46  11.529   2.965   9.108
  281   2HH2  ARG  46           HH1      ARG  46  12.258   2.243  10.503
  282    H    TYR  47           H        TYR  47   4.966  -1.403   6.597
  283    HA   TYR  47           HA       TYR  47   2.934   0.632   5.835
  284   1HB   TYR  47          2HB       TYR  47   1.732  -1.497   7.289
  285   2HB   TYR  47          1HB       TYR  47   1.574  -1.153   5.569
  286    HD1  TYR  47           HD2      TYR  47   3.536  -1.961   4.051
  287    HD2  TYR  47           HD1      TYR  47   2.751  -3.476   7.989
  288    HE1  TYR  47           HE2      TYR  47   4.834  -4.009   3.515
  289    HE2  TYR  47           HE1      TYR  47   4.051  -5.527   7.459
  290    HH   TYR  47           HH       TYR  47   6.053  -6.025   5.683
  291    H    ASN  48           H        ASN  48   4.998   0.983   7.941
  292    HA   ASN  48           HA       ASN  48   3.350   0.891  10.385
  293   1HB   ASN  48          2HB       ASN  48   6.231   1.791  10.087
  294   2HB   ASN  48          1HB       ASN  48   5.394   1.403  11.590
  295   1HD2  ASN  48           HD2      ASN  48   5.200  -2.138  10.020
  296   2HD2  ASN  48           HD2      ASN  48   4.019  -0.919  10.025
  297    H    ILE  49           H        ILE  49   4.708   3.081   8.051
  298    HA   ILE  49           HA       ILE  49   4.398   5.512   9.522
  299    HB   ILE  49           HB       ILE  49   5.155   6.500   7.635
  300   1HG1  ILE  49          2HG1      ILE  49   2.764   6.627   6.853
  301   2HG1  ILE  49          1HG1      ILE  49   3.949   6.567   5.549
  302   1HG2  ILE  49          1HG2      ILE  49   6.275   4.289   7.410
  303   2HG2  ILE  49          3HG2      ILE  49   4.968   3.769   6.345
  304   3HG2  ILE  49          2HG2      ILE  49   6.025   5.093   5.861
  305   1HD1  ILE  49           HD1      ILE  49   3.232   3.888   6.299
  306   2HD1  ILE  49           HD1      ILE  49   1.765   4.817   5.985
  307   3HD1  ILE  49           HD1      ILE  49   3.013   4.694   4.744
  308    H    ARG  50           H        ARG  50   2.145   3.456   7.799
  309    HA   ARG  50           HA       ARG  50  -0.078   5.156   7.529
  310   1HB   ARG  50          2HB       ARG  50   0.163   2.222   8.202
  311   2HB   ARG  50          1HB       ARG  50  -1.416   3.001   8.092
  312   1HG   ARG  50          2HG       ARG  50  -1.346   2.976   5.843
  313   2HG   ARG  50          1HG       ARG  50   0.243   3.743   5.835
  314   1HD   ARG  50          2HD       ARG  50   1.363   1.637   6.045
  315   2HD   ARG  50          1HD       ARG  50  -0.144   0.799   6.415
  316    HE   ARG  50           HE       ARG  50   0.464   1.967   3.727
  317   1HH1  ARG  50           HH2      ARG  50  -2.384   1.196   4.360
  318   2HH1  ARG  50           HH2      ARG  50  -2.458  -0.418   3.737
  319   1HH2  ARG  50           HH1      ARG  50   0.984  -0.787   3.551
  320   2HH2  ARG  50           HH1      ARG  50  -0.552  -1.540   3.278
  321    H    SER  51           H        SER  51   0.872   3.200  10.367
  322    HA   SER  51           HA       SER  51  -1.179   4.174  12.098
  323   1HB   SER  51          2HB       SER  51   0.303   2.192  12.567
  324   2HB   SER  51          1HB       SER  51   1.622   3.315  12.886
  325    HG   SER  51           HG       SER  51  -0.245   2.505  14.549
  326    H    HIS  52           H        HIS  52   2.025   5.390  11.249
  327    HA   HIS  52           HA       HIS  52   2.277   7.424  13.193
  328   1HB   HIS  52          2HB       HIS  52   4.208   7.540  11.979
  329   2HB   HIS  52          1HB       HIS  52   3.444   6.817  10.568
  330    HD1  HIS  52           HD1      HIS  52   4.974   9.882  11.596
  331    HD2  HIS  52           HD2      HIS  52   1.697   8.950   9.209
  332    HE1  HIS  52           HE1      HIS  52   4.438  11.969  10.261
  333    H    ILE  53           H        ILE  53   0.535   7.430  10.112
  334    HA   ILE  53           HA       ILE  53  -0.346  10.165  10.316
  335    HB   ILE  53           HB       ILE  53  -1.927   7.944   8.980
  336   1HG1  ILE  53          2HG1      ILE  53   0.494   9.391   7.853
  337   2HG1  ILE  53          1HG1      ILE  53   0.439   7.685   8.298
  338   1HG2  ILE  53          2HG2      ILE  53  -1.713  10.908   8.800
  339   2HG2  ILE  53          1HG2      ILE  53  -2.011  10.030   7.300
  340   3HG2  ILE  53          3HG2      ILE  53  -3.132   9.871   8.653
  341   1HD1  ILE  53           HD1      ILE  53  -1.488   8.886   6.305
  342   2HD1  ILE  53           HD1      ILE  53   0.071   8.218   5.821
  343   3HD1  ILE  53           HD1      ILE  53  -1.133   7.180   6.584
  344    H    GLN  54           H        GLN  54  -2.135   7.128  10.837
  345    HA   GLN  54           HA       GLN  54  -4.465   7.989  11.955
  346   1HB   GLN  54          2HB       GLN  54  -2.816   5.618  12.261
  347   2HB   GLN  54          1HB       GLN  54  -3.673   5.993  13.756
  348   1HG   GLN  54          2HG       GLN  54  -5.589   5.216  12.873
  349   2HG   GLN  54          1HG       GLN  54  -5.470   6.389  11.560
  350   1HE2  GLN  54          2HE2      GLN  54  -3.396   3.885   9.660
  351   2HE2  GLN  54          1HE2      GLN  54  -3.069   5.415  10.318
  352    H    THR  55           H        THR  55  -1.286   8.236  13.448
  353    HA   THR  55           HA       THR  55  -2.417   9.051  16.015
  354    HB   THR  55           HB       THR  55   0.344   9.900  15.399
  355    HG1  THR  55           HG1      THR  55  -0.511   7.215  15.195
  356   1HG2  THR  55          2HG2      THR  55  -1.095   8.365  17.558
  357   2HG2  THR  55          1HG2      THR  55   0.666   8.453  17.519
  358   3HG2  THR  55          3HG2      THR  55  -0.288   9.929  17.672
  359    H    HIS  56           H        HIS  56  -0.746  10.747  13.363
  360    HA   HIS  56           HA       HIS  56  -1.762  13.278  14.474
  361   1HB   HIS  56          2HB       HIS  56   0.005  14.294  13.492
  362   2HB   HIS  56          1HB       HIS  56   0.675  12.681  13.528
  363    HD1  HIS  56           HD1      HIS  56  -1.037  15.089  11.130
  364    HD2  HIS  56           HD2      HIS  56   1.291  11.650  11.058
  365    HE1  HIS  56           HE1      HIS  56  -0.126  14.873   8.769
  366    H    LEU  57           H        LEU  57  -3.373  11.188  13.144
  367    HA   LEU  57           HA       LEU  57  -4.799  12.984  11.293
  368   1HB   LEU  57          2HB       LEU  57  -3.367  10.574  10.471
  369   2HB   LEU  57          1HB       LEU  57  -5.076  10.507  10.055
  370    HG   LEU  57           HG       LEU  57  -3.892  11.549   8.223
  371   1HD1  LEU  57           HD1      LEU  57  -6.111  12.533   9.200
  372   2HD1  LEU  57           HD1      LEU  57  -5.091  13.881   9.701
  373   3HD1  LEU  57           HD1      LEU  57  -5.226  13.464   7.993
  374   1HD2  LEU  57           HD2      LEU  57  -2.184  12.461  10.216
  375   2HD2  LEU  57           HD2      LEU  57  -2.117  12.924   8.516
  376   3HD2  LEU  57           HD2      LEU  57  -2.991  13.931   9.670
  377    H    GLU  58           H        GLU  58  -4.843  10.773  13.864
  378    HA   GLU  58           HA       GLU  58  -7.116   9.233  13.635
  379   1HB   GLU  58          2HB       GLU  58  -7.549  10.063  16.124
  380   2HB   GLU  58          1HB       GLU  58  -6.156   9.054  15.735
  381   1HG   GLU  58          2HG       GLU  58  -4.703  10.702  16.253
  382   2HG   GLU  58          1HG       GLU  58  -5.598  11.886  15.303
  383    H    ASP  59           H        ASP  59  -7.339  12.509  15.077
  384    HA   ASP  59           HA       ASP  59  -9.304  13.556  13.359
  385   1HB   ASP  59          2HB       ASP  59 -11.359  13.180  14.812
  386   2HB   ASP  59          1HB       ASP  59 -10.789  11.759  13.934
  387    H    ARG  60           H        ARG  60  -7.991  15.381  13.993
  388    HA   ARG  60           HA       ARG  60  -8.653  16.422  16.721
  389   1HB   ARG  60          2HB       ARG  60  -6.105  16.171  15.304
  390   2HB   ARG  60          1HB       ARG  60  -6.407  17.817  15.864
  391   1HG   ARG  60          2HG       ARG  60  -7.185  15.966  17.923
  392   2HG   ARG  60          1HG       ARG  60  -5.537  15.601  17.408
  393   1HD   ARG  60          2HD       ARG  60  -4.877  17.316  18.720
  394   2HD   ARG  60          1HD       ARG  60  -5.605  18.387  17.522
  395    HE   ARG  60           HE       ARG  60  -7.764  17.811  19.043
  396   1HH1  ARG  60           HH2      ARG  60  -4.705  19.237  19.542
  397   2HH1  ARG  60           HH2      ARG  60  -5.022  19.702  21.181
  398   1HH2  ARG  60           HH1      ARG  60  -8.108  18.127  21.307
  399   2HH2  ARG  60           HH1      ARG  60  -6.949  19.073  22.180
   
  No H/Q in entry =         399
  Start of MODEL   14
    1   1H    THR  14          1H        THR  14 -18.909  -1.612   7.698
    2   2H    THR  14          3H        THR  14 -19.419  -1.933   9.284
    3   3H    THR  14          2H        THR  14 -20.380  -0.976   8.261
    4    HA   THR  14           HA       THR  14 -19.318   0.865   8.829
    5    HB   THR  14           HB       THR  14 -17.932  -1.084  10.689
    6    HG1  THR  14           HG1      THR  14 -19.410   0.285  12.105
    7   1HG2  THR  14          1HG2      THR  14 -17.723   1.904  10.417
    8   2HG2  THR  14          3HG2      THR  14 -17.541   1.140  11.997
    9   3HG2  THR  14          2HG2      THR  14 -16.440   0.723  10.683
   10    H    LEU  15           H        LEU  15 -16.710  -1.599   8.870
   11    HA   LEU  15           HA       LEU  15 -14.529  -1.458   7.985
   12   1HB   LEU  15          2HB       LEU  15 -15.922  -0.093   5.672
   13   2HB   LEU  15          1HB       LEU  15 -14.494  -1.126   5.619
   14    HG   LEU  15           HG       LEU  15 -17.210  -2.091   6.544
   15   1HD1  LEU  15           HD1      LEU  15 -16.880  -1.300   4.044
   16   2HD1  LEU  15           HD1      LEU  15 -15.999  -2.821   3.898
   17   3HD1  LEU  15           HD1      LEU  15 -17.693  -2.827   4.390
   18   1HD2  LEU  15           HD2      LEU  15 -14.589  -3.159   6.708
   19   2HD2  LEU  15           HD2      LEU  15 -16.105  -3.982   7.074
   20   3HD2  LEU  15           HD2      LEU  15 -15.422  -4.073   5.450
   21    HA   PRO  16           HA       PRO  16 -13.970   2.955   9.086
   22   1HB   PRO  16          2HB       PRO  16 -12.085   2.443  11.021
   23   2HB   PRO  16          1HB       PRO  16 -13.829   2.458  11.334
   24   1HG   PRO  16          2HG       PRO  16 -11.982   0.127  11.115
   25   2HG   PRO  16          1HG       PRO  16 -13.507   0.271  12.005
   26   1HD   PRO  16          2HD       PRO  16 -13.159  -1.023   9.511
   27   2HD   PRO  16          1HD       PRO  16 -14.713  -0.585  10.253
   28    H    ARG  17           H        ARG  17 -12.863   3.451   7.127
   29    HA   ARG  17           HA       ARG  17 -10.009   3.653   7.257
   30   1HB   ARG  17          2HB       ARG  17 -10.210   1.187   6.848
   31   2HB   ARG  17          1HB       ARG  17 -11.035   1.547   5.331
   32   1HG   ARG  17          2HG       ARG  17  -8.576   1.126   5.050
   33   2HG   ARG  17          1HG       ARG  17  -9.084   2.718   4.484
   34   1HD   ARG  17          2HD       ARG  17  -6.984   2.737   5.888
   35   2HD   ARG  17          1HD       ARG  17  -8.275   3.772   6.499
   36    HE   ARG  17           HE       ARG  17  -8.176   2.465   8.445
   37   1HH1  ARG  17           HH2      ARG  17  -6.571   0.807   5.953
   38   2HH1  ARG  17           HH2      ARG  17  -6.701  -0.753   6.693
   39   1HH2  ARG  17           HH1      ARG  17  -8.710   0.355   9.293
   40   2HH2  ARG  17           HH1      ARG  17  -7.911  -1.008   8.584
   41    H    GLY  18           H        GLY  18 -11.042   5.782   6.697
   42   1HA   GLY  18          2HA       GLY  18 -11.167   6.059   3.736
   43   2HA   GLY  18          1HA       GLY  18 -12.476   6.740   4.703
   44    H    SER  19           H        SER  19  -9.214   6.726   5.938
   45    HA   SER  19           HA       SER  19  -8.887   9.581   5.200
   46   1HB   SER  19          2HB       SER  19  -9.005   8.424   7.968
   47   2HB   SER  19          1HB       SER  19  -8.006   9.840   7.655
   48    HG   SER  19           HG       SER  19 -10.699   9.676   6.808
   49    H    ILE  20           H        ILE  20  -7.443   6.624   6.495
   50    HA   ILE  20           HA       ILE  20  -4.727   7.518   6.450
   51    HB   ILE  20           HB       ILE  20  -5.473   4.669   5.852
   52   1HG1  ILE  20          2HG1      ILE  20  -7.061   5.153   7.559
   53   2HG1  ILE  20          1HG1      ILE  20  -5.688   4.443   8.408
   54   1HG2  ILE  20          3HG2      ILE  20  -3.087   5.456   6.065
   55   2HG2  ILE  20          2HG2      ILE  20  -3.436   5.882   7.740
   56   3HG2  ILE  20          1HG2      ILE  20  -3.536   4.200   7.220
   57   1HD1  ILE  20           HD1      ILE  20  -4.864   6.901   8.658
   58   2HD1  ILE  20           HD1      ILE  20  -6.532   7.332   8.283
   59   3HD1  ILE  20           HD1      ILE  20  -6.173   6.345   9.700
   60    H    ASP  21           H        ASP  21  -6.480   5.493   4.095
   61    HA   ASP  21           HA       ASP  21  -4.413   5.623   2.106
   62   1HB   ASP  21          2HB       ASP  21  -7.300   4.825   2.138
   63   2HB   ASP  21          1HB       ASP  21  -6.520   5.086   0.578
   64    H    LYS  22           H        LYS  22  -6.659   7.940   3.192
   65    HA   LYS  22           HA       LYS  22  -6.853   9.386   0.645
   66   1HB   LYS  22          2HB       LYS  22  -8.493   9.326   2.769
   67   2HB   LYS  22          1HB       LYS  22  -7.510  10.716   3.232
   68   1HG   LYS  22          2HG       LYS  22  -7.928  11.632   0.890
   69   2HG   LYS  22          1HG       LYS  22  -9.142  10.364   0.710
   70   1HD   LYS  22          2HD       LYS  22 -10.596  11.361   2.169
   71   2HD   LYS  22          1HD       LYS  22  -9.303  11.969   3.202
   72   1HE   LYS  22          2HE       LYS  22  -9.486  13.988   2.231
   73   2HE   LYS  22          1HE       LYS  22  -9.066  13.270   0.676
   74   1HZ   LYS  22          1HZ       LYS  22 -11.703  12.576   1.228
   75   2HZ   LYS  22          3HZ       LYS  22 -11.561  14.236   1.545
   76   3HZ   LYS  22          2HZ       LYS  22 -11.133  13.624   0.019
   77    H    TYR  23           H        TYR  23  -4.304   8.896   2.554
   78    HA   TYR  23           HA       TYR  23  -2.994  11.364   1.708
   79   1HB   TYR  23          2HB       TYR  23  -3.735  10.881   4.585
   80   2HB   TYR  23          1HB       TYR  23  -2.265  11.774   4.189
   81    HD1  TYR  23           HD2      TYR  23  -2.840  13.391   1.936
   82    HD2  TYR  23           HD1      TYR  23  -5.468  12.327   5.162
   83    HE1  TYR  23           HE2      TYR  23  -4.189  15.428   1.509
   84    HE2  TYR  23           HE1      TYR  23  -6.817  14.363   4.735
   85    HH   TYR  23           HH       TYR  23  -6.283  16.722   3.633
   86    H    VAL  24           H        VAL  24  -2.661   8.463   1.367
   87    HA   VAL  24           HA       VAL  24   0.085   8.219   2.522
   88    HB   VAL  24           HB       VAL  24  -1.734   6.706   3.544
   89   1HG1  VAL  24          2HG1      VAL  24  -2.570   6.223   1.095
   90   2HG1  VAL  24          1HG1      VAL  24  -1.300   4.998   1.114
   91   3HG1  VAL  24          3HG1      VAL  24  -2.603   4.937   2.301
   92   1HG2  VAL  24          3HG2      VAL  24   0.900   6.394   3.352
   93   2HG2  VAL  24          2HG2      VAL  24  -0.118   5.101   3.988
   94   3HG2  VAL  24          1HG2      VAL  24   0.435   5.046   2.313
   95    H    LYS  25           H        LYS  25   1.598   8.046   0.939
   96    HA   LYS  25           HA       LYS  25   0.696   7.078  -1.744
   97   1HB   LYS  25          2HB       LYS  25   2.094   9.453  -0.971
   98   2HB   LYS  25          1HB       LYS  25   3.191   8.454  -1.926
   99   1HG   LYS  25          2HG       LYS  25   0.364   8.842  -2.863
  100   2HG   LYS  25          1HG       LYS  25   1.552  10.116  -3.144
  101   1HD   LYS  25          2HD       LYS  25   2.927   7.831  -3.879
  102   2HD   LYS  25          1HD       LYS  25   1.287   7.497  -4.439
  103   1HE   LYS  25          2HE       LYS  25   1.639   8.856  -6.196
  104   2HE   LYS  25          1HE       LYS  25   1.837  10.208  -5.081
  105   1HZ   LYS  25          2HZ       LYS  25   4.192   9.416  -4.804
  106   2HZ   LYS  25          1HZ       LYS  25   3.929   8.401  -6.141
  107   3HZ   LYS  25          3HZ       LYS  25   3.814  10.083  -6.320
  108    H    GLU  26           H        GLU  26   1.344   4.975  -1.920
  109    HA   GLU  26           HA       GLU  26   3.979   4.207  -0.758
  110   1HB   GLU  26          2HB       GLU  26   2.103   2.812  -0.050
  111   2HB   GLU  26          1HB       GLU  26   1.656   2.516  -1.731
  112   1HG   GLU  26          2HG       GLU  26   4.207   1.707  -1.860
  113   2HG   GLU  26          1HG       GLU  26   3.924   1.398  -0.147
  114    H    MET  27           H        MET  27   5.662   3.697  -2.096
  115    HA   MET  27           HA       MET  27   5.072   3.575  -5.024
  116   1HB   MET  27          2HB       MET  27   7.682   4.318  -3.670
  117   2HB   MET  27          1HB       MET  27   7.331   4.408  -5.396
  118   1HG   MET  27          2HG       MET  27   5.255   5.849  -4.234
  119   2HG   MET  27          1HG       MET  27   6.661   6.298  -3.270
  120   1HE   MET  27          1HE       MET  27   7.967   7.698  -3.534
  121   2HE   MET  27          3HE       MET  27   8.894   8.176  -4.962
  122   3HE   MET  27          2HE       MET  27   7.438   9.062  -4.514
  123    HA   PRO  28           HA       PRO  28   6.462  -0.592  -4.887
  124   1HB   PRO  28          2HB       PRO  28   6.985  -0.889  -7.577
  125   2HB   PRO  28          1HB       PRO  28   5.356  -0.916  -6.878
  126   1HG   PRO  28          2HG       PRO  28   6.710   1.266  -8.408
  127   2HG   PRO  28          1HG       PRO  28   4.985   0.876  -8.296
  128   1HD   PRO  28          2HD       PRO  28   6.258   2.960  -6.910
  129   2HD   PRO  28          1HD       PRO  28   4.680   2.263  -6.486
  130    H    ASP  29           H        ASP  29   8.423   2.056  -5.773
  131    HA   ASP  29           HA       ASP  29  10.838   0.439  -6.225
  132   1HB   ASP  29          2HB       ASP  29  11.961   2.522  -6.615
  133   2HB   ASP  29          1HB       ASP  29  10.379   2.667  -7.381
  134    H    LYS  30           H        LYS  30   9.115   0.825  -3.601
  135    HA   LYS  30           HA       LYS  30   9.659   0.449  -1.359
  136   1HB   LYS  30          2HB       LYS  30  12.503   1.120  -2.099
  137   2HB   LYS  30          1HB       LYS  30  11.952   0.271  -0.661
  138   1HG   LYS  30          2HG       LYS  30  11.636  -1.704  -1.783
  139   2HG   LYS  30          1HG       LYS  30  11.163  -0.898  -3.279
  140   1HD   LYS  30          2HD       LYS  30  13.233  -1.350  -4.051
  141   2HD   LYS  30          1HD       LYS  30  13.828  -0.146  -2.907
  142   1HE   LYS  30          2HE       LYS  30  13.631  -3.136  -2.531
  143   2HE   LYS  30          1HE       LYS  30  15.062  -2.114  -2.411
  144   1HZ   LYS  30          3HZ       LYS  30  13.675  -0.970  -0.550
  145   2HZ   LYS  30          2HZ       LYS  30  12.855  -2.458  -0.507
  146   3HZ   LYS  30          1HZ       LYS  30  14.529  -2.397  -0.220
  147    H    THR  31           H        THR  31   8.472   2.719  -1.956
  148    HA   THR  31           HA       THR  31   9.972   4.731  -0.371
  149    HB   THR  31           HB       THR  31   8.323   5.722  -2.627
  150    HG1  THR  31           HG1      THR  31  10.992   4.944  -3.048
  151   1HG2  THR  31          2HG2      THR  31  10.292   6.694  -0.779
  152   2HG2  THR  31          1HG2      THR  31  10.877   6.936  -2.425
  153   3HG2  THR  31          3HG2      THR  31   9.322   7.609  -1.933
  154    H    PHE  32           H        PHE  32   8.372   6.627   0.156
  155    HA   PHE  32           HA       PHE  32   5.549   5.936   0.306
  156   1HB   PHE  32          2HB       PHE  32   7.364   5.251   2.515
  157   2HB   PHE  32          1HB       PHE  32   6.001   6.254   3.013
  158    HD1  PHE  32           HD2      PHE  32   3.645   5.538   2.229
  159    HD2  PHE  32           HD1      PHE  32   7.068   2.947   2.139
  160    HE1  PHE  32           HE2      PHE  32   2.149   3.565   2.117
  161    HE2  PHE  32           HE1      PHE  32   5.573   0.972   2.025
  162    HZ   PHE  32           HZ       PHE  32   3.111   1.282   2.016
  163    H    GLU  33           H        GLU  33   4.313   7.781   0.965
  164    HA   GLU  33           HA       GLU  33   5.768  10.147   1.949
  165   1HB   GLU  33          2HB       GLU  33   5.581   9.831  -0.771
  166   2HB   GLU  33          1HB       GLU  33   4.142  10.789  -0.420
  167   1HG   GLU  33          2HG       GLU  33   6.834  11.526   0.728
  168   2HG   GLU  33          1HG       GLU  33   6.338  12.074  -0.873
  169    H    CYS  34           H        CYS  34   4.465  10.720   3.605
  170    HA   CYS  34           HA       CYS  34   1.624  10.167   3.678
  171   1HB   CYS  34          2HB       CYS  34   3.180  10.425   5.676
  172   2HB   CYS  34          1HB       CYS  34   3.164  12.159   5.366
  173    H    LEU  35           H        LEU  35   0.375  11.218   2.170
  174    HA   LEU  35           HA       LEU  35   1.015  13.875   1.199
  175   1HB   LEU  35          2HB       LEU  35  -1.607  12.399   0.891
  176   2HB   LEU  35          1HB       LEU  35  -0.954  13.660  -0.155
  177    HG   LEU  35           HG       LEU  35   0.667  11.182   0.291
  178   1HD1  LEU  35           HD1      LEU  35  -1.605  10.366  -0.251
  179   2HD1  LEU  35           HD1      LEU  35  -1.639  11.417  -1.667
  180   3HD1  LEU  35           HD1      LEU  35  -0.489  10.082  -1.587
  181   1HD2  LEU  35           HD2      LEU  35   1.420  13.261  -0.995
  182   2HD2  LEU  35           HD2      LEU  35   1.544  11.733  -1.868
  183   3HD2  LEU  35           HD2      LEU  35   0.209  12.834  -2.203
  184    H    PHE  36           H        PHE  36  -0.066  13.105   4.176
  185    HA   PHE  36           HA       PHE  36  -2.405  14.689   4.535
  186   1HB   PHE  36          2HB       PHE  36  -1.490  13.132   6.248
  187   2HB   PHE  36          1HB       PHE  36  -0.147  14.243   6.510
  188    HD1  PHE  36           HD2      PHE  36  -0.643  16.610   7.296
  189    HD2  PHE  36           HD1      PHE  36  -3.596  13.498   7.253
  190    HE1  PHE  36           HE2      PHE  36  -2.041  17.917   8.873
  191    HE2  PHE  36           HE1      PHE  36  -4.996  14.802   8.830
  192    HZ   PHE  36           HZ       PHE  36  -4.220  17.014   9.640
  193    HA   PRO  37           HA       PRO  37  -0.709  18.718   3.963
  194   1HB   PRO  37          2HB       PRO  37  -2.790  20.134   5.082
  195   2HB   PRO  37          1HB       PRO  37  -2.843  19.431   3.456
  196   1HG   PRO  37          2HG       PRO  37  -4.164  18.477   5.958
  197   2HG   PRO  37          1HG       PRO  37  -4.665  18.263   4.272
  198   1HD   PRO  37          2HD       PRO  37  -3.409  16.305   5.858
  199   2HD   PRO  37          1HD       PRO  37  -3.547  16.264   4.088
  200    H    GLY  38           H        GLY  38   0.957  19.333   5.244
  201   1HA   GLY  38          2HA       GLY  38   1.607  20.695   7.212
  202   2HA   GLY  38          1HA       GLY  38   0.410  19.792   8.147
  203    H    CYS  39           H        CYS  39   1.250  17.308   6.586
  204    HA   CYS  39           HA       CYS  39   3.104  16.278   8.519
  205   1HB   CYS  39          2HB       CYS  39   1.483  14.967   7.034
  206   2HB   CYS  39          1HB       CYS  39   2.669  15.161   5.743
  207    H    THR  40           H        THR  40   5.298  15.385   7.904
  208    HA   THR  40           HA       THR  40   6.675  16.660   5.659
  209    HB   THR  40           HB       THR  40   6.731  18.494   7.273
  210    HG1  THR  40           HG1      THR  40   8.773  18.808   6.897
  211   1HG2  THR  40          1HG2      THR  40   6.745  16.458   9.164
  212   2HG2  THR  40          3HG2      THR  40   8.364  17.148   9.285
  213   3HG2  THR  40          2HG2      THR  40   6.949  18.179   9.497
  214    H    LYS  41           H        LYS  41   6.166  13.935   6.612
  215    HA   LYS  41           HA       LYS  41   9.011  13.087   6.972
  216   1HB   LYS  41          2HB       LYS  41   7.418  12.899   9.043
  217   2HB   LYS  41          1HB       LYS  41   6.749  11.516   8.177
  218   1HG   LYS  41          2HG       LYS  41   8.422  10.379   9.235
  219   2HG   LYS  41          1HG       LYS  41   9.405  11.010   7.912
  220   1HD   LYS  41          2HD       LYS  41  10.651  11.673   9.771
  221   2HD   LYS  41          1HD       LYS  41   9.662  13.105   9.482
  222   1HE   LYS  41          2HE       LYS  41   8.013  12.271  11.145
  223   2HE   LYS  41          1HE       LYS  41   9.067  10.895  11.472
  224   1HZ   LYS  41          3HZ       LYS  41  10.213  13.583  11.633
  225   2HZ   LYS  41          2HZ       LYS  41   9.194  13.076  12.895
  226   3HZ   LYS  41          1HZ       LYS  41  10.594  12.189  12.521
  227    H    THR  42           H        THR  42   9.624  11.305   5.745
  228    HA   THR  42           HA       THR  42   7.502  10.044   4.054
  229    HB   THR  42           HB       THR  42   8.829  10.194   2.131
  230    HG1  THR  42           HG1      THR  42  10.944  10.577   3.960
  231   1HG2  THR  42          1HG2      THR  42   8.063  12.450   3.149
  232   2HG2  THR  42          3HG2      THR  42   9.769  12.691   3.524
  233   3HG2  THR  42          2HG2      THR  42   9.255  12.489   1.850
  234    H    PHE  43           H        PHE  43   8.090   7.826   3.341
  235    HA   PHE  43           HA       PHE  43  10.243   6.575   4.978
  236   1HB   PHE  43          2HB       PHE  43   7.628   5.145   4.682
  237   2HB   PHE  43          1HB       PHE  43   8.841   4.999   5.954
  238    HD1  PHE  43           HD1      PHE  43   6.362   7.407   4.511
  239    HD2  PHE  43           HD2      PHE  43   8.584   6.175   7.976
  240    HE1  PHE  43           HE1      PHE  43   5.118   9.048   5.892
  241    HE2  PHE  43           HE2      PHE  43   7.337   7.817   9.357
  242    HZ   PHE  43           HZ       PHE  43   5.606   9.254   8.314
  243    H    LYS  44           H        LYS  44  10.172   4.035   4.237
  244    HA   LYS  44           HA       LYS  44   9.809   3.927   1.287
  245   1HB   LYS  44          2HB       LYS  44  12.360   3.252   2.778
  246   2HB   LYS  44          1HB       LYS  44  12.057   2.820   1.095
  247   1HG   LYS  44          2HG       LYS  44  12.517   4.912   0.383
  248   2HG   LYS  44          1HG       LYS  44  11.485   5.633   1.618
  249   1HD   LYS  44          2HD       LYS  44  13.320   6.270   2.749
  250   2HD   LYS  44          1HD       LYS  44  13.759   4.574   2.953
  251   1HE   LYS  44          2HE       LYS  44  15.245   4.601   1.192
  252   2HE   LYS  44          1HE       LYS  44  14.335   5.825   0.306
  253   1HZ   LYS  44          1HZ       LYS  44  15.103   7.147   2.528
  254   2HZ   LYS  44          3HZ       LYS  44  16.443   6.145   2.241
  255   3HZ   LYS  44          2HZ       LYS  44  15.905   7.211   1.032
  256    H    ARG  45           H        ARG  45   8.417   2.244   1.058
  257    HA   ARG  45           HA       ARG  45   7.333   0.198   1.531
  258   1HB   ARG  45          2HB       ARG  45  10.063  -0.185   0.759
  259   2HB   ARG  45          1HB       ARG  45   9.649  -1.415   1.954
  260   1HG   ARG  45          2HG       ARG  45   8.029  -0.784  -0.532
  261   2HG   ARG  45          1HG       ARG  45   9.112  -2.164  -0.349
  262   1HD   ARG  45          2HD       ARG  45   7.568  -3.331   0.810
  263   2HD   ARG  45          1HD       ARG  45   7.245  -1.965   1.878
  264    HE   ARG  45           HE       ARG  45   5.314  -1.575   0.603
  265   1HH1  ARG  45           HH1      ARG  45   5.555  -0.558  -1.787
  266   2HH1  ARG  45           HH1      ARG  45   5.529  -1.816  -2.977
  267   1HH2  ARG  45           HH2      ARG  45   6.216  -4.343  -0.706
  268   2HH2  ARG  45           HH2      ARG  45   5.905  -3.958  -2.365
  269    H    ARG  46           H        ARG  46   6.489   0.767   3.640
  270    HA   ARG  46           HA       ARG  46   7.504  -0.949   5.765
  271   1HB   ARG  46          2HB       ARG  46   8.431   1.765   5.628
  272   2HB   ARG  46          1HB       ARG  46   7.377   1.596   7.033
  273   1HG   ARG  46          2HG       ARG  46   9.700  -0.240   6.376
  274   2HG   ARG  46          1HG       ARG  46   9.741   1.053   7.576
  275   1HD   ARG  46          2HD       ARG  46   7.897  -0.036   8.809
  276   2HD   ARG  46          1HD       ARG  46   7.869  -1.334   7.616
  277    HE   ARG  46           HE       ARG  46  10.513  -1.199   8.578
  278   1HH1  ARG  46           HH2      ARG  46   7.403  -2.405   9.275
  279   2HH1  ARG  46           HH2      ARG  46   7.870  -3.182  10.751
  280   1HH2  ARG  46           HH1      ARG  46  11.103  -1.930  10.700
  281   2HH2  ARG  46           HH1      ARG  46   9.964  -2.914  11.558
  282    H    TYR  47           H        TYR  47   5.928  -1.243   7.396
  283    HA   TYR  47           HA       TYR  47   3.281  -0.025   6.776
  284   1HB   TYR  47          2HB       TYR  47   3.009  -2.046   8.752
  285   2HB   TYR  47          1HB       TYR  47   2.489  -2.122   7.070
  286    HD1  TYR  47           HD2      TYR  47   3.981  -3.066   5.341
  287    HD2  TYR  47           HD1      TYR  47   5.016  -3.131   9.506
  288    HE1  TYR  47           HE2      TYR  47   5.718  -4.781   4.877
  289    HE2  TYR  47           HE1      TYR  47   6.757  -4.845   9.046
  290    HH   TYR  47           HH       TYR  47   7.771  -5.628   5.868
  291    H    ASN  48           H        ASN  48   5.518   1.215   8.341
  292    HA   ASN  48           HA       ASN  48   4.184   1.327  10.988
  293   1HB   ASN  48          2HB       ASN  48   6.999   1.514  10.100
  294   2HB   ASN  48          1HB       ASN  48   6.534   2.680  11.339
  295   1HD2  ASN  48           HD2      ASN  48   7.052  -1.184  12.364
  296   2HD2  ASN  48           HD2      ASN  48   7.434  -0.596  10.818
  297    H    ILE  49           H        ILE  49   4.879   3.043   8.122
  298    HA   ILE  49           HA       ILE  49   4.558   5.704   9.270
  299    HB   ILE  49           HB       ILE  49   5.497   6.332   7.324
  300   1HG1  ILE  49          2HG1      ILE  49   3.035   6.547   6.620
  301   2HG1  ILE  49          1HG1      ILE  49   4.231   6.488   5.327
  302   1HG2  ILE  49          2HG2      ILE  49   6.451   4.076   7.202
  303   2HG2  ILE  49          1HG2      ILE  49   5.025   3.512   6.331
  304   3HG2  ILE  49          3HG2      ILE  49   6.098   4.696   5.590
  305   1HD1  ILE  49           HD1      ILE  49   3.435   3.809   6.041
  306   2HD1  ILE  49           HD1      ILE  49   2.008   4.780   5.675
  307   3HD1  ILE  49           HD1      ILE  49   3.299   4.625   4.483
  308    H    ARG  50           H        ARG  50   2.511   3.308   7.688
  309    HA   ARG  50           HA       ARG  50   0.211   4.921   7.272
  310   1HB   ARG  50          2HB       ARG  50   0.672   1.998   7.771
  311   2HB   ARG  50          1HB       ARG  50  -0.979   2.616   7.845
  312   1HG   ARG  50          2HG       ARG  50   0.574   3.582   5.530
  313   2HG   ARG  50          1HG       ARG  50   0.277   1.842   5.533
  314   1HD   ARG  50          2HD       ARG  50  -1.996   3.680   6.184
  315   2HD   ARG  50          1HD       ARG  50  -1.505   3.509   4.497
  316    HE   ARG  50           HE       ARG  50  -2.312   1.275   4.531
  317   1HH1  ARG  50           HH2      ARG  50  -0.983   0.529   7.155
  318   2HH1  ARG  50           HH2      ARG  50  -2.359   0.190   8.151
  319   1HH2  ARG  50           HH1      ARG  50  -4.609   1.763   6.032
  320   2HH2  ARG  50           HH1      ARG  50  -4.413   0.890   7.516
  321    H    SER  51           H        SER  51   1.346   3.183  10.156
  322    HA   SER  51           HA       SER  51  -0.918   3.939  11.791
  323   1HB   SER  51          2HB       SER  51   0.735   2.052  12.274
  324   2HB   SER  51          1HB       SER  51   1.881   3.298  12.762
  325    HG   SER  51           HG       SER  51  -0.560   2.528  13.927
  326    H    HIS  52           H        HIS  52   2.197   5.362  10.992
  327    HA   HIS  52           HA       HIS  52   2.314   7.388  12.961
  328   1HB   HIS  52          2HB       HIS  52   4.258   7.555  11.772
  329   2HB   HIS  52          1HB       HIS  52   3.525   6.866  10.330
  330    HD1  HIS  52           HD1      HIS  52   5.075   9.868  11.369
  331    HD2  HIS  52           HD2      HIS  52   1.652   9.067   9.136
  332    HE1  HIS  52           HE1      HIS  52   4.524  11.994  10.106
  333    H    ILE  53           H        ILE  53   0.475   7.246   9.946
  334    HA   ILE  53           HA       ILE  53  -0.444   9.995  10.203
  335    HB   ILE  53           HB       ILE  53  -2.305   8.243   8.771
  336   1HG1  ILE  53          2HG1      ILE  53   0.609   8.241   7.916
  337   2HG1  ILE  53          1HG1      ILE  53  -0.358   6.834   8.355
  338   1HG2  ILE  53          3HG2      ILE  53  -0.532  10.562   7.956
  339   2HG2  ILE  53          2HG2      ILE  53  -1.807   9.867   6.955
  340   3HG2  ILE  53          1HG2      ILE  53  -2.214  10.661   8.476
  341   1HD1  ILE  53           HD1      ILE  53  -1.957   7.708   6.454
  342   2HD1  ILE  53           HD1      ILE  53  -0.507   8.540   5.891
  343   3HD1  ILE  53           HD1      ILE  53  -0.517   6.782   6.032
  344    H    GLN  54           H        GLN  54  -1.944   6.826  10.813
  345    HA   GLN  54           HA       GLN  54  -4.397   7.624  11.802
  346   1HB   GLN  54          2HB       GLN  54  -2.771   5.285  12.010
  347   2HB   GLN  54          1HB       GLN  54  -3.425   5.640  13.611
  348   1HG   GLN  54          2HG       GLN  54  -5.312   4.620  12.885
  349   2HG   GLN  54          1HG       GLN  54  -5.593   6.092  11.955
  350   1HE2  GLN  54          2HE2      GLN  54  -3.776   4.360   9.096
  351   2HE2  GLN  54          1HE2      GLN  54  -3.324   5.646  10.106
  352    H    THR  55           H        THR  55  -1.271   8.038  13.407
  353    HA   THR  55           HA       THR  55  -2.644   8.803  15.887
  354    HB   THR  55           HB       THR  55  -0.479   7.792  16.192
  355    HG1  THR  55           HG1      THR  55  -0.090   9.189  17.681
  356   1HG2  THR  55          3HG2      THR  55   0.518   9.944  14.309
  357   2HG2  THR  55          2HG2      THR  55   1.566   8.870  15.234
  358   3HG2  THR  55          1HG2      THR  55   0.488   8.206  14.009
  359    H    HIS  56           H        HIS  56  -0.925  10.469  13.266
  360    HA   HIS  56           HA       HIS  56  -1.913  13.017  14.392
  361   1HB   HIS  56          2HB       HIS  56  -0.058  13.986  13.558
  362   2HB   HIS  56          1HB       HIS  56   0.555  12.353  13.464
  363    HD1  HIS  56           HD1      HIS  56  -1.054  15.009  11.261
  364    HD2  HIS  56           HD2      HIS  56   1.152  11.502  10.915
  365    HE1  HIS  56           HE1      HIS  56  -0.132  14.963   8.893
  366    H    LEU  57           H        LEU  57  -3.479  10.937  13.025
  367    HA   LEU  57           HA       LEU  57  -4.699  12.674  10.959
  368   1HB   LEU  57          2HB       LEU  57  -3.239  10.732  10.041
  369   2HB   LEU  57          1HB       LEU  57  -4.523   9.679  10.628
  370    HG   LEU  57           HG       LEU  57  -6.128  10.643   9.164
  371   1HD1  LEU  57           HD1      LEU  57  -4.147  12.882   9.062
  372   2HD1  LEU  57           HD1      LEU  57  -5.181  12.622   7.657
  373   3HD1  LEU  57           HD1      LEU  57  -5.901  12.947   9.234
  374   1HD2  LEU  57           HD2      LEU  57  -3.773   9.490   8.213
  375   2HD2  LEU  57           HD2      LEU  57  -5.268   9.689   7.299
  376   3HD2  LEU  57           HD2      LEU  57  -3.994  10.905   7.183
  377    H    GLU  58           H        GLU  58  -5.021  10.233  13.480
  378    HA   GLU  58           HA       GLU  58  -7.810   9.677  13.110
  379   1HB   GLU  58          2HB       GLU  58  -7.749   8.834  15.403
  380   2HB   GLU  58          1HB       GLU  58  -6.286   8.329  14.557
  381   1HG   GLU  58          2HG       GLU  58  -4.977  10.036  15.619
  382   2HG   GLU  58          1HG       GLU  58  -6.417  10.828  16.259
  383    H    ASP  59           H        ASP  59  -6.081  12.303  14.689
  384    HA   ASP  59           HA       ASP  59  -8.731  13.572  15.256
  385   1HB   ASP  59          2HB       ASP  59  -6.253  13.403  16.956
  386   2HB   ASP  59          1HB       ASP  59  -7.351  14.772  17.131
  387    H    ARG  60           H        ARG  60  -5.432  14.842  15.602
  388    HA   ARG  60           HA       ARG  60  -6.110  17.269  14.192
  389   1HB   ARG  60          2HB       ARG  60  -4.019  16.403  15.844
  390   2HB   ARG  60          1HB       ARG  60  -3.255  16.717  14.286
  391   1HG   ARG  60          2HG       ARG  60  -3.221  18.878  15.000
  392   2HG   ARG  60          1HG       ARG  60  -4.912  18.879  14.499
  393   1HD   ARG  60          2HD       ARG  60  -4.641  17.740  17.148
  394   2HD   ARG  60          1HD       ARG  60  -3.925  19.350  17.090
  395    HE   ARG  60           HE       ARG  60  -6.710  18.846  17.122
  396   1HH1  ARG  60           HH1      ARG  60  -7.088  19.501  14.431
  397   2HH1  ARG  60           HH1      ARG  60  -6.976  21.227  14.337
  398   1HH2  ARG  60           HH2      ARG  60  -5.381  21.555  17.398
  399   2HH2  ARG  60           HH2      ARG  60  -6.010  22.390  16.017
   
  No H/Q in entry =         399
  Start of MODEL   15
    1   1H    THR  14          3H        THR  14 -14.519   6.774  19.108
    2   2H    THR  14          2H        THR  14 -14.198   8.035  20.200
    3   3H    THR  14          1H        THR  14 -14.580   8.385  18.582
    4    HA   THR  14           HA       THR  14 -12.376   8.546  18.311
    5    HB   THR  14           HB       THR  14 -11.980   8.456  20.738
    6    HG1  THR  14           HG1      THR  14 -10.230   6.553  19.657
    7   1HG2  THR  14          1HG2      THR  14 -12.825   5.687  20.320
    8   2HG2  THR  14          3HG2      THR  14 -11.346   5.811  21.275
    9   3HG2  THR  14          2HG2      THR  14 -12.809   6.644  21.801
   10    H    LEU  15           H        LEU  15 -13.654   7.026  16.597
   11    HA   LEU  15           HA       LEU  15 -11.882   4.653  16.269
   12   1HB   LEU  15          2HB       LEU  15 -14.488   4.364  17.067
   13   2HB   LEU  15          1HB       LEU  15 -14.651   4.283  15.312
   14    HG   LEU  15           HG       LEU  15 -12.379   2.738  15.918
   15   1HD1  LEU  15           HD1      LEU  15 -13.747   2.908  18.270
   16   2HD1  LEU  15           HD1      LEU  15 -14.533   1.510  17.537
   17   3HD1  LEU  15           HD1      LEU  15 -12.788   1.505  17.795
   18   1HD2  LEU  15           HD2      LEU  15 -14.828   2.542  14.531
   19   2HD2  LEU  15           HD2      LEU  15 -13.477   1.410  14.461
   20   3HD2  LEU  15           HD2      LEU  15 -14.786   1.152  15.615
   21    HA   PRO  16           HA       PRO  16 -12.405   7.297  12.462
   22   1HB   PRO  16          2HB       PRO  16  -9.809   8.195  12.355
   23   2HB   PRO  16          1HB       PRO  16 -11.107   9.054  13.201
   24   1HG   PRO  16          2HG       PRO  16  -8.869   7.446  14.340
   25   2HG   PRO  16          1HG       PRO  16  -9.770   8.788  15.066
   26   1HD   PRO  16          2HD       PRO  16 -10.153   6.039  15.629
   27   2HD   PRO  16          1HD       PRO  16 -11.251   7.362  16.080
   28    H    ARG  17           H        ARG  17 -11.720   6.584  10.387
   29    HA   ARG  17           HA       ARG  17  -9.411   5.055   9.813
   30   1HB   ARG  17          2HB       ARG  17 -11.191   3.562  11.344
   31   2HB   ARG  17          1HB       ARG  17 -11.525   3.041   9.692
   32   1HG   ARG  17          2HG       ARG  17  -8.686   3.274  10.665
   33   2HG   ARG  17          1HG       ARG  17  -9.635   1.829  11.016
   34   1HD   ARG  17          2HD       ARG  17  -8.960   2.963   8.292
   35   2HD   ARG  17          1HD       ARG  17  -8.456   1.409   8.959
   36    HE   ARG  17           HE       ARG  17 -11.243   2.071   8.116
   37   1HH1  ARG  17           HH2      ARG  17  -9.184  -0.138   9.697
   38   2HH1  ARG  17           HH2      ARG  17  -9.887  -1.545   8.972
   39   1HH2  ARG  17           HH1      ARG  17 -11.983   0.256   6.877
   40   2HH2  ARG  17           HH1      ARG  17 -11.472  -1.322   7.377
   41    H    GLY  18           H        GLY  18 -10.840   7.055   8.486
   42   1HA   GLY  18          2HA       GLY  18 -11.368   5.700   5.931
   43   2HA   GLY  18          1HA       GLY  18 -12.749   6.560   6.612
   44    H    SER  19           H        SER  19  -9.653   7.891   7.322
   45    HA   SER  19           HA       SER  19  -9.847   9.784   5.049
   46   1HB   SER  19          2HB       SER  19  -9.802  10.536   7.977
   47   2HB   SER  19          1HB       SER  19  -9.426  11.673   6.685
   48    HG   SER  19           HG       SER  19 -11.845  10.495   7.413
   49    H    ILE  20           H        ILE  20  -7.985   7.634   6.573
   50    HA   ILE  20           HA       ILE  20  -5.510   9.266   6.490
   51    HB   ILE  20           HB       ILE  20  -5.565   6.391   7.327
   52   1HG1  ILE  20          2HG1      ILE  20  -6.483   8.747   9.006
   53   2HG1  ILE  20          1HG1      ILE  20  -7.472   7.373   8.506
   54   1HG2  ILE  20          3HG2      ILE  20  -3.621   8.338   7.213
   55   2HG2  ILE  20          2HG2      ILE  20  -4.133   8.422   8.899
   56   3HG2  ILE  20          1HG2      ILE  20  -3.547   6.900   8.230
   57   1HD1  ILE  20           HD1      ILE  20  -4.960   7.140  10.181
   58   2HD1  ILE  20           HD1      ILE  20  -6.594   7.158  10.843
   59   3HD1  ILE  20           HD1      ILE  20  -6.087   5.844   9.783
   60    H    ASP  21           H        ASP  21  -6.806   6.182   5.307
   61    HA   ASP  21           HA       ASP  21  -4.671   5.417   3.645
   62   1HB   ASP  21          2HB       ASP  21  -7.615   4.942   3.624
   63   2HB   ASP  21          1HB       ASP  21  -6.724   4.549   2.153
   64    H    LYS  22           H        LYS  22  -6.821   8.098   3.296
   65    HA   LYS  22           HA       LYS  22  -6.316   8.394   0.411
   66   1HB   LYS  22          2HB       LYS  22  -8.445   9.100   1.822
   67   2HB   LYS  22          1HB       LYS  22  -7.507  10.570   2.090
   68   1HG   LYS  22          2HG       LYS  22  -7.174  10.712  -0.409
   69   2HG   LYS  22          1HG       LYS  22  -8.327   9.386  -0.575
   70   1HD   LYS  22          2HD       LYS  22  -9.768  11.188  -0.763
   71   2HD   LYS  22          1HD       LYS  22  -9.815  10.942   0.982
   72   1HE   LYS  22          2HE       LYS  22  -8.315  12.732   1.388
   73   2HE   LYS  22          1HE       LYS  22  -7.800  12.788  -0.298
   74   1HZ   LYS  22          1HZ       LYS  22 -10.617  13.268   0.418
   75   2HZ   LYS  22          3HZ       LYS  22  -9.480  14.519   0.546
   76   3HZ   LYS  22          2HZ       LYS  22  -9.760  13.778  -0.957
   77    H    TYR  23           H        TYR  23  -4.094   8.526   2.491
   78    HA   TYR  23           HA       TYR  23  -2.822  10.937   1.383
   79   1HB   TYR  23          2HB       TYR  23  -3.472  10.573   4.305
   80   2HB   TYR  23          1HB       TYR  23  -2.088  11.543   3.800
   81    HD1  TYR  23           HD2      TYR  23  -3.016  12.805   1.337
   82    HD2  TYR  23           HD1      TYR  23  -5.132  12.086   5.005
   83    HE1  TYR  23           HE2      TYR  23  -4.529  14.703   0.835
   84    HE2  TYR  23           HE1      TYR  23  -6.646  13.984   4.503
   85    HH   TYR  23           HH       TYR  23  -6.027  16.182   1.869
   86    H    VAL  24           H        VAL  24  -2.364   8.134   1.041
   87    HA   VAL  24           HA       VAL  24   0.328   7.891   2.323
   88    HB   VAL  24           HB       VAL  24  -1.746   5.755   1.772
   89   1HG1  VAL  24          3HG1      VAL  24   1.212   5.597   1.951
   90   2HG1  VAL  24          2HG1      VAL  24   0.318   4.411   2.902
   91   3HG1  VAL  24          1HG1      VAL  24   0.073   4.510   1.158
   92   1HG2  VAL  24          2HG2      VAL  24  -1.095   7.289   4.039
   93   2HG2  VAL  24          1HG2      VAL  24  -2.096   5.837   4.000
   94   3HG2  VAL  24          3HG2      VAL  24  -0.368   5.709   4.326
   95    H    LYS  25           H        LYS  25   1.881   8.035   0.781
   96    HA   LYS  25           HA       LYS  25   1.161   7.278  -2.014
   97   1HB   LYS  25          2HB       LYS  25   2.111   9.617  -1.339
   98   2HB   LYS  25          1HB       LYS  25   3.657   8.772  -1.243
   99   1HG   LYS  25          2HG       LYS  25   3.746   9.308  -3.469
  100   2HG   LYS  25          1HG       LYS  25   2.787   7.834  -3.621
  101   1HD   LYS  25          2HD       LYS  25   0.890   9.780  -3.034
  102   2HD   LYS  25          1HD       LYS  25   2.010  10.609  -4.117
  103   1HE   LYS  25          2HE       LYS  25   1.744   8.928  -5.814
  104   2HE   LYS  25          1HE       LYS  25   0.861   7.871  -4.712
  105   1HZ   LYS  25          2HZ       LYS  25  -0.082  10.576  -5.474
  106   2HZ   LYS  25          1HZ       LYS  25  -0.543   9.166  -6.301
  107   3HZ   LYS  25          3HZ       LYS  25  -0.955   9.361  -4.667
  108    H    GLU  26           H        GLU  26   1.615   5.083  -2.117
  109    HA   GLU  26           HA       GLU  26   4.073   4.019  -0.907
  110   1HB   GLU  26          2HB       GLU  26   2.267   2.523  -2.806
  111   2HB   GLU  26          1HB       GLU  26   3.248   1.883  -1.487
  112   1HG   GLU  26          2HG       GLU  26   1.454   2.033  -0.139
  113   2HG   GLU  26          1HG       GLU  26   1.508   3.786  -0.325
  114    H    MET  27           H        MET  27   5.987   3.968  -1.962
  115    HA   MET  27           HA       MET  27   5.982   4.436  -4.900
  116   1HB   MET  27          2HB       MET  27   7.535   5.481  -2.772
  117   2HB   MET  27          1HB       MET  27   8.615   4.478  -3.741
  118   1HG   MET  27          2HG       MET  27   8.736   6.544  -4.841
  119   2HG   MET  27          1HG       MET  27   7.505   5.693  -5.774
  120   1HE   MET  27          1HE       MET  27   6.022   6.816  -6.674
  121   2HE   MET  27          3HE       MET  27   4.705   6.403  -5.567
  122   3HE   MET  27          2HE       MET  27   4.945   8.074  -6.072
  123    HA   PRO  28           HA       PRO  28   7.079   0.168  -5.342
  124   1HB   PRO  28          2HB       PRO  28   7.694   0.291  -8.025
  125   2HB   PRO  28          1HB       PRO  28   6.039   0.217  -7.395
  126   1HG   PRO  28          2HG       PRO  28   7.529   2.562  -8.502
  127   2HG   PRO  28          1HG       PRO  28   5.788   2.230  -8.513
  128   1HD   PRO  28          2HD       PRO  28   7.075   4.006  -6.763
  129   2HD   PRO  28          1HD       PRO  28   5.457   3.316  -6.512
  130    H    ASP  29           H        ASP  29   9.152   2.856  -5.747
  131    HA   ASP  29           HA       ASP  29  11.526   1.213  -6.328
  132   1HB   ASP  29          2HB       ASP  29  12.720   3.259  -6.522
  133   2HB   ASP  29          1HB       ASP  29  11.134   3.605  -7.210
  134    H    LYS  30           H        LYS  30   9.748   1.272  -3.755
  135    HA   LYS  30           HA       LYS  30  10.212   0.616  -1.560
  136   1HB   LYS  30          2HB       LYS  30  13.079   1.368  -2.104
  137   2HB   LYS  30          1HB       LYS  30  12.478   0.331  -0.818
  138   1HG   LYS  30          2HG       LYS  30  11.984  -0.357  -3.710
  139   2HG   LYS  30          1HG       LYS  30  13.501  -0.799  -2.927
  140   1HD   LYS  30          2HD       LYS  30  10.719  -1.578  -2.004
  141   2HD   LYS  30          1HD       LYS  30  11.912  -2.649  -2.741
  142   1HE   LYS  30          2HE       LYS  30  13.293  -1.452  -0.634
  143   2HE   LYS  30          1HE       LYS  30  11.689  -1.765   0.029
  144   1HZ   LYS  30          2HZ       LYS  30  11.949  -4.058  -1.003
  145   2HZ   LYS  30          1HZ       LYS  30  13.602  -3.689  -1.141
  146   3HZ   LYS  30          3HZ       LYS  30  12.866  -3.725   0.387
  147    H    THR  31           H        THR  31   9.066   2.980  -1.923
  148    HA   THR  31           HA       THR  31  10.402   4.681   0.092
  149    HB   THR  31           HB       THR  31   9.219   6.055  -2.269
  150    HG1  THR  31           HG1      THR  31  11.272   5.953  -3.269
  151   1HG2  THR  31          3HG2      THR  31  11.249   6.600  -0.134
  152   2HG2  THR  31          2HG2      THR  31  11.318   7.513  -1.642
  153   3HG2  THR  31          1HG2      THR  31   9.871   7.578  -0.636
  154    H    PHE  32           H        PHE  32   8.788   6.622   0.560
  155    HA   PHE  32           HA       PHE  32   5.957   5.966   0.202
  156   1HB   PHE  32          2HB       PHE  32   7.417   5.173   2.623
  157   2HB   PHE  32          1HB       PHE  32   6.016   6.189   2.963
  158    HD1  PHE  32           HD1      PHE  32   7.146   3.037   1.378
  159    HD2  PHE  32           HD2      PHE  32   3.771   5.415   2.559
  160    HE1  PHE  32           HE1      PHE  32   5.643   1.109   0.966
  161    HE2  PHE  32           HE2      PHE  32   2.268   3.488   2.148
  162    HZ   PHE  32           HZ       PHE  32   3.203   1.334   1.352
  163    H    GLU  33           H        GLU  33   4.663   7.810   0.623
  164    HA   GLU  33           HA       GLU  33   6.004  10.151   1.864
  165   1HB   GLU  33          2HB       GLU  33   5.821   9.845  -0.915
  166   2HB   GLU  33          1HB       GLU  33   4.520  10.961  -0.497
  167   1HG   GLU  33          2HG       GLU  33   6.158  12.539  -0.542
  168   2HG   GLU  33          1HG       GLU  33   6.560  11.916   1.059
  169    H    CYS  34           H        CYS  34   4.578  10.429   3.525
  170    HA   CYS  34           HA       CYS  34   1.770   9.916   3.443
  171   1HB   CYS  34          2HB       CYS  34   3.173  10.179   5.510
  172   2HB   CYS  34          1HB       CYS  34   3.256  11.909   5.184
  173    H    LEU  35           H        LEU  35   0.501  10.932   1.926
  174    HA   LEU  35           HA       LEU  35   1.103  13.607   0.954
  175   1HB   LEU  35          2HB       LEU  35  -1.426  11.995   0.540
  176   2HB   LEU  35          1HB       LEU  35  -0.837  13.326  -0.455
  177    HG   LEU  35           HG       LEU  35   1.195  11.275  -0.154
  178   1HD1  LEU  35           HD1      LEU  35  -1.227  10.099  -0.070
  179   2HD1  LEU  35           HD1      LEU  35  -1.069  10.289  -1.817
  180   3HD1  LEU  35           HD1      LEU  35   0.143   9.380  -0.916
  181   1HD2  LEU  35           HD2      LEU  35   0.722  13.204  -1.911
  182   2HD2  LEU  35           HD2      LEU  35   1.512  11.711  -2.417
  183   3HD2  LEU  35           HD2      LEU  35  -0.211  11.945  -2.718
  184    H    PHE  36           H        PHE  36  -0.077  12.786   3.869
  185    HA   PHE  36           HA       PHE  36  -2.488  14.266   4.151
  186   1HB   PHE  36          2HB       PHE  36  -1.550  12.765   5.907
  187   2HB   PHE  36          1HB       PHE  36  -0.270  13.941   6.198
  188    HD1  PHE  36           HD2      PHE  36  -0.948  16.325   6.870
  189    HD2  PHE  36           HD1      PHE  36  -3.662  12.996   6.944
  190    HE1  PHE  36           HE2      PHE  36  -2.443  17.575   8.403
  191    HE2  PHE  36           HE1      PHE  36  -5.157  14.250   8.474
  192    HZ   PHE  36           HZ       PHE  36  -4.548  16.540   9.203
  193    HA   PRO  37           HA       PRO  37  -0.968  18.357   3.559
  194   1HB   PRO  37          2HB       PRO  37  -3.129  19.696   4.620
  195   2HB   PRO  37          1HB       PRO  37  -3.120  18.967   3.005
  196   1HG   PRO  37          2HG       PRO  37  -4.441  17.990   5.501
  197   2HG   PRO  37          1HG       PRO  37  -4.904  17.732   3.810
  198   1HD   PRO  37          2HD       PRO  37  -3.592  15.850   5.441
  199   2HD   PRO  37          1HD       PRO  37  -3.692  15.785   3.669
  200    H    GLY  38           H        GLY  38   0.660  19.034   4.858
  201   1HA   GLY  38          2HA       GLY  38   1.230  20.472   6.797
  202   2HA   GLY  38          1HA       GLY  38   0.040  19.562   7.734
  203    H    CYS  39           H        CYS  39   1.029  17.077   6.217
  204    HA   CYS  39           HA       CYS  39   2.875  16.181   8.243
  205   1HB   CYS  39          2HB       CYS  39   1.307  14.734   6.850
  206   2HB   CYS  39          1HB       CYS  39   2.458  14.919   5.527
  207    H    THR  40           H        THR  40   5.101  15.349   7.707
  208    HA   THR  40           HA       THR  40   6.446  16.519   5.384
  209    HB   THR  40           HB       THR  40   7.594  17.319   8.039
  210    HG1  THR  40           HG1      THR  40   5.866  19.039   6.662
  211   1HG2  THR  40          2HG2      THR  40   7.778  18.131   5.167
  212   2HG2  THR  40          1HG2      THR  40   8.093  19.351   6.402
  213   3HG2  THR  40          3HG2      THR  40   9.067  17.881   6.345
  214    H    LYS  41           H        LYS  41   6.022  13.843   6.370
  215    HA   LYS  41           HA       LYS  41   8.862  13.080   6.914
  216   1HB   LYS  41          2HB       LYS  41   6.959  12.812   8.793
  217   2HB   LYS  41          1HB       LYS  41   6.688  11.309   7.912
  218   1HG   LYS  41          2HG       LYS  41   9.090  10.753   8.139
  219   2HG   LYS  41          1HG       LYS  41   9.337  12.239   9.056
  220   1HD   LYS  41          2HD       LYS  41   7.306  10.165   9.897
  221   2HD   LYS  41          1HD       LYS  41   8.988  10.093  10.425
  222   1HE   LYS  41          2HE       LYS  41   8.729  12.470  11.255
  223   2HE   LYS  41          1HE       LYS  41   7.002  12.323  10.927
  224   1HZ   LYS  41          3HZ       LYS  41   8.032  10.102  12.407
  225   2HZ   LYS  41          2HZ       LYS  41   8.267  11.575  13.220
  226   3HZ   LYS  41          1HZ       LYS  41   6.706  11.102  12.744
  227    H    THR  42           H        THR  42   9.544  11.116   5.919
  228    HA   THR  42           HA       THR  42   7.626   9.849   4.025
  229    HB   THR  42           HB       THR  42   8.997  10.129   2.163
  230    HG1  THR  42           HG1      THR  42  10.902   9.371   3.035
  231   1HG2  THR  42          2HG2      THR  42   8.131  12.329   3.135
  232   2HG2  THR  42          1HG2      THR  42   9.772  12.595   3.724
  233   3HG2  THR  42          3HG2      THR  42   9.468  12.457   1.992
  234    H    PHE  43           H        PHE  43   8.050   7.619   3.689
  235    HA   PHE  43           HA       PHE  43  10.379   6.512   5.204
  236   1HB   PHE  43          2HB       PHE  43   7.889   4.895   5.174
  237   2HB   PHE  43          1HB       PHE  43   9.080   5.100   6.455
  238    HD1  PHE  43           HD1      PHE  43   6.456   7.040   4.602
  239    HD2  PHE  43           HD2      PHE  43   8.538   6.426   8.310
  240    HE1  PHE  43           HE1      PHE  43   4.979   8.697   5.704
  241    HE2  PHE  43           HE2      PHE  43   7.058   8.082   9.413
  242    HZ   PHE  43           HZ       PHE  43   5.277   9.214   8.110
  243    H    LYS  44           H        LYS  44   9.816   3.796   4.629
  244    HA   LYS  44           HA       LYS  44   9.991   3.778   1.643
  245   1HB   LYS  44          2HB       LYS  44  11.648   1.995   1.808
  246   2HB   LYS  44          1HB       LYS  44  12.194   3.386   2.743
  247   1HG   LYS  44          2HG       LYS  44  10.595   1.814   4.481
  248   2HG   LYS  44          1HG       LYS  44  11.687   0.704   3.652
  249   1HD   LYS  44          2HD       LYS  44  13.161   1.349   5.271
  250   2HD   LYS  44          1HD       LYS  44  13.395   2.747   4.221
  251   1HE   LYS  44          2HE       LYS  44  11.763   4.034   5.473
  252   2HE   LYS  44          1HE       LYS  44  11.339   2.624   6.445
  253   1HZ   LYS  44          1HZ       LYS  44  13.976   2.730   6.815
  254   2HZ   LYS  44          3HZ       LYS  44  13.636   4.382   6.635
  255   3HZ   LYS  44          2HZ       LYS  44  12.851   3.481   7.843
  256    H    ARG  45           H        ARG  45  10.018   1.044   1.240
  257    HA   ARG  45           HA       ARG  45   7.294   0.333   1.340
  258   1HB   ARG  45          2HB       ARG  45   8.983  -0.789  -0.101
  259   2HB   ARG  45          1HB       ARG  45   9.666  -1.559   1.332
  260   1HG   ARG  45          2HG       ARG  45   7.240  -2.403   1.755
  261   2HG   ARG  45          1HG       ARG  45   6.976  -2.011   0.057
  262   1HD   ARG  45          2HD       ARG  45   9.403  -3.381   0.055
  263   2HD   ARG  45          1HD       ARG  45   8.421  -4.257   1.230
  264    HE   ARG  45           HE       ARG  45   7.062  -3.660  -1.306
  265   1HH1  ARG  45           HH1      ARG  45   5.883  -5.878  -0.181
  266   2HH1  ARG  45           HH1      ARG  45   6.764  -7.260  -0.744
  267   1HH2  ARG  45           HH2      ARG  45   9.540  -5.423  -1.717
  268   2HH2  ARG  45           HH2      ARG  45   8.834  -7.002  -1.614
  269    H    ARG  46           H        ARG  46   6.093   0.087   3.158
  270    HA   ARG  46           HA       ARG  46   6.638  -1.915   5.108
  271   1HB   ARG  46          2HB       ARG  46   7.876   0.699   5.586
  272   2HB   ARG  46          1HB       ARG  46   6.828   0.185   6.909
  273   1HG   ARG  46          2HG       ARG  46   8.211  -1.518   7.507
  274   2HG   ARG  46          1HG       ARG  46   8.562  -1.946   5.833
  275   1HD   ARG  46          2HD       ARG  46  10.463  -0.722   5.815
  276   2HD   ARG  46          1HD       ARG  46   9.668   0.659   6.573
  277    HE   ARG  46           HE       ARG  46  11.268  -1.329   7.941
  278   1HH1  ARG  46           HH1      ARG  46   9.179  -1.986   9.621
  279   2HH1  ARG  46           HH1      ARG  46   8.971  -0.652  10.707
  280   1HH2  ARG  46           HH2      ARG  46  10.729   1.582   8.723
  281   2HH2  ARG  46           HH2      ARG  46   9.849   1.367  10.198
  282    H    TYR  47           H        TYR  47   5.218  -1.241   7.239
  283    HA   TYR  47           HA       TYR  47   2.742   0.100   6.261
  284   1HB   TYR  47          2HB       TYR  47   1.990  -1.919   8.118
  285   2HB   TYR  47          1HB       TYR  47   1.581  -1.831   6.407
  286    HD1  TYR  47           HD2      TYR  47   3.046  -2.916   4.716
  287    HD2  TYR  47           HD1      TYR  47   3.695  -3.395   8.933
  288    HE1  TYR  47           HE2      TYR  47   4.499  -4.878   4.264
  289    HE2  TYR  47           HE1      TYR  47   5.148  -5.358   8.486
  290    HH   TYR  47           HH       TYR  47   6.639  -6.059   6.198
  291    H    ASN  48           H        ASN  48   5.112   0.662   8.166
  292    HA   ASN  48           HA       ASN  48   3.686   0.896  10.725
  293   1HB   ASN  48          2HB       ASN  48   6.522   1.442   9.846
  294   2HB   ASN  48          1HB       ASN  48   5.932   1.963  11.425
  295   1HD2  ASN  48           HD2      ASN  48   5.955  -2.100  10.730
  296   2HD2  ASN  48           HD2      ASN  48   5.550  -1.051   9.458
  297    H    ILE  49           H        ILE  49   4.652   2.854   8.010
  298    HA   ILE  49           HA       ILE  49   4.348   5.398   9.329
  299    HB   ILE  49           HB       ILE  49   4.912   6.332   7.341
  300   1HG1  ILE  49          2HG1      ILE  49   2.550   5.826   6.450
  301   2HG1  ILE  49          1HG1      ILE  49   3.829   6.010   5.257
  302   1HG2  ILE  49          2HG2      ILE  49   6.380   4.313   7.522
  303   2HG2  ILE  49          1HG2      ILE  49   5.279   3.471   6.432
  304   3HG2  ILE  49          3HG2      ILE  49   6.162   4.884   5.869
  305   1HD1  ILE  49           HD1      ILE  49   3.565   3.265   6.241
  306   2HD1  ILE  49           HD1      ILE  49   2.119   3.857   5.422
  307   3HD1  ILE  49           HD1      ILE  49   3.672   3.864   4.586
  308    H    ARG  50           H        ARG  50   2.130   3.138   7.833
  309    HA   ARG  50           HA       ARG  50  -0.129   4.862   7.571
  310   1HB   ARG  50          2HB       ARG  50   0.273   2.274   6.965
  311   2HB   ARG  50          1HB       ARG  50  -0.551   2.056   8.509
  312   1HG   ARG  50          2HG       ARG  50  -1.786   4.051   6.710
  313   2HG   ARG  50          1HG       ARG  50  -1.848   2.385   6.131
  314   1HD   ARG  50          2HD       ARG  50  -2.529   2.857   8.996
  315   2HD   ARG  50          1HD       ARG  50  -3.708   3.374   7.791
  316    HE   ARG  50           HE       ARG  50  -2.922   0.740   7.115
  317   1HH1  ARG  50           HH2      ARG  50  -5.152   2.567   8.884
  318   2HH1  ARG  50           HH2      ARG  50  -5.866   1.213   9.696
  319   1HH2  ARG  50           HH1      ARG  50  -3.548  -1.069   8.494
  320   2HH2  ARG  50           HH1      ARG  50  -4.958  -0.845   9.476
  321    H    SER  51           H        SER  51   1.339   3.258  10.318
  322    HA   SER  51           HA       SER  51  -0.861   3.905  12.135
  323   1HB   SER  51          2HB       SER  51   0.799   1.982  12.444
  324   2HB   SER  51          1HB       SER  51   1.993   3.203  12.875
  325    HG   SER  51           HG       SER  51   1.084   3.353  14.757
  326    H    HIS  52           H        HIS  52   2.090   5.347  10.975
  327    HA   HIS  52           HA       HIS  52   2.446   7.330  13.002
  328   1HB   HIS  52          2HB       HIS  52   4.304   7.514  11.691
  329   2HB   HIS  52          1HB       HIS  52   3.495   6.753  10.327
  330    HD1  HIS  52           HD1      HIS  52   4.913   9.902  11.333
  331    HD2  HIS  52           HD2      HIS  52   1.669   8.798   8.956
  332    HE1  HIS  52           HE1      HIS  52   4.275  11.951   9.987
  333    H    ILE  53           H        ILE  53   0.600   7.385   9.974
  334    HA   ILE  53           HA       ILE  53  -0.299  10.093  10.368
  335    HB   ILE  53           HB       ILE  53  -2.329   9.039   8.887
  336   1HG1  ILE  53          2HG1      ILE  53   0.132   7.366   8.289
  337   2HG1  ILE  53          1HG1      ILE  53  -1.399   6.760   8.930
  338   1HG2  ILE  53          3HG2      ILE  53  -0.516  10.869   8.457
  339   2HG2  ILE  53          2HG2      ILE  53   0.311   9.584   7.580
  340   3HG2  ILE  53          1HG2      ILE  53  -1.301  10.094   7.081
  341   1HD1  ILE  53           HD1      ILE  53  -1.859   8.371   6.581
  342   2HD1  ILE  53           HD1      ILE  53  -0.695   7.094   6.224
  343   3HD1  ILE  53           HD1      ILE  53  -2.286   6.684   6.867
  344    H    GLN  54           H        GLN  54  -1.910   6.966  10.905
  345    HA   GLN  54           HA       GLN  54  -4.296   7.733  12.018
  346   1HB   GLN  54          2HB       GLN  54  -2.556   5.446  12.292
  347   2HB   GLN  54          1HB       GLN  54  -3.285   5.826  13.853
  348   1HG   GLN  54          2HG       GLN  54  -5.062   4.649  13.063
  349   2HG   GLN  54          1HG       GLN  54  -5.427   6.130  12.177
  350   1HE2  GLN  54          2HE2      GLN  54  -3.659   4.715   9.194
  351   2HE2  GLN  54          1HE2      GLN  54  -3.423   6.073  10.185
  352    H    THR  55           H        THR  55  -1.106   8.237  13.414
  353    HA   THR  55           HA       THR  55  -2.252   9.067  15.975
  354    HB   THR  55           HB       THR  55  -0.057   9.319  16.712
  355    HG1  THR  55           HG1      THR  55   1.125  10.650  15.633
  356   1HG2  THR  55          3HG2      THR  55  -0.547   7.110  15.174
  357   2HG2  THR  55          2HG2      THR  55   0.913   7.744  14.414
  358   3HG2  THR  55          1HG2      THR  55   0.914   7.348  16.132
  359    H    HIS  56           H        HIS  56  -0.729  10.717  13.205
  360    HA   HIS  56           HA       HIS  56  -1.796  13.245  14.275
  361   1HB   HIS  56          2HB       HIS  56  -0.123  14.317  13.192
  362   2HB   HIS  56          1HB       HIS  56   0.636  12.748  13.300
  363    HD1  HIS  56           HD1      HIS  56  -1.209  14.961  10.829
  364    HD2  HIS  56           HD2      HIS  56   1.206  11.570  10.838
  365    HE1  HIS  56           HE1      HIS  56  -0.333  14.688   8.461
  366    H    LEU  57           H        LEU  57  -3.398  11.085  13.072
  367    HA   LEU  57           HA       LEU  57  -4.853  12.781  11.133
  368   1HB   LEU  57          2HB       LEU  57  -3.615  10.178  10.557
  369   2HB   LEU  57          1HB       LEU  57  -5.320  10.259  10.135
  370    HG   LEU  57           HG       LEU  57  -4.553  12.630   9.156
  371   1HD1  LEU  57           HD1      LEU  57  -2.088  11.106   9.630
  372   2HD1  LEU  57           HD1      LEU  57  -2.257  11.668   7.968
  373   3HD1  LEU  57           HD1      LEU  57  -2.299  12.825   9.298
  374   1HD2  LEU  57           HD2      LEU  57  -5.012   9.978   8.128
  375   2HD2  LEU  57           HD2      LEU  57  -5.366  11.529   7.367
  376   3HD2  LEU  57           HD2      LEU  57  -3.785  10.782   7.150
  377    H    GLU  58           H        GLU  58  -4.841  10.444  13.728
  378    HA   GLU  58           HA       GLU  58  -7.537   9.533  13.545
  379   1HB   GLU  58          2HB       GLU  58  -7.321   9.143  16.012
  380   2HB   GLU  58          1HB       GLU  58  -5.971   8.487  15.087
  381   1HG   GLU  58          2HG       GLU  58  -4.476   9.991  15.943
  382   2HG   GLU  58          1HG       GLU  58  -5.665  11.293  16.001
  383    H    ASP  59           H        ASP  59  -6.161  12.559  14.661
  384    HA   ASP  59           HA       ASP  59  -8.375  13.511  16.183
  385   1HB   ASP  59          2HB       ASP  59  -5.900  14.507  15.482
  386   2HB   ASP  59          1HB       ASP  59  -6.998  15.558  14.585
  387    H    ARG  60           H        ARG  60  -7.535  14.587  12.869
  388    HA   ARG  60           HA       ARG  60 -10.127  15.654  12.334
  389   1HB   ARG  60          2HB       ARG  60  -8.206  14.567  10.261
  390   2HB   ARG  60          1HB       ARG  60  -9.406  15.844  10.051
  391   1HG   ARG  60          2HG       ARG  60  -8.055  16.972  12.041
  392   2HG   ARG  60          1HG       ARG  60  -6.755  15.944  11.437
  393   1HD   ARG  60          2HD       ARG  60  -6.524  17.146   9.518
  394   2HD   ARG  60          1HD       ARG  60  -8.263  17.387   9.345
  395    HE   ARG  60           HE       ARG  60  -7.042  18.928  11.523
  396   1HH1  ARG  60           HH2      ARG  60  -6.635  19.017   8.214
  397   2HH1  ARG  60           HH2      ARG  60  -7.280  20.608   7.988
  398   1HH2  ARG  60           HH1      ARG  60  -8.444  20.884  11.244
  399   2HH2  ARG  60           HH1      ARG  60  -8.304  21.667   9.705
   
  No H/Q in entry =         399
  Start of MODEL   16
    1   1H    THR  14          3H        THR  14 -10.844  -4.488  11.308
    2   2H    THR  14          2H        THR  14 -11.267  -6.060  10.824
    3   3H    THR  14          1H        THR  14  -9.646  -5.557  10.760
    4    HA   THR  14           HA       THR  14 -10.009  -4.144   8.956
    5    HB   THR  14           HB       THR  14 -11.933  -6.356   8.296
    6    HG1  THR  14           HG1      THR  14 -10.267  -7.800   8.290
    7   1HG2  THR  14          3HG2      THR  14  -9.722  -4.841   6.923
    8   2HG2  THR  14          2HG2      THR  14 -10.272  -6.395   6.297
    9   3HG2  THR  14          1HG2      THR  14 -11.400  -5.046   6.418
   10    H    LEU  15           H        LEU  15 -11.156  -2.282   8.792
   11    HA   LEU  15           HA       LEU  15 -13.769  -2.043   7.911
   12   1HB   LEU  15          2HB       LEU  15 -13.749  -2.930  10.628
   13   2HB   LEU  15          1HB       LEU  15 -14.374  -1.281  10.587
   14    HG   LEU  15           HG       LEU  15 -15.405  -3.012   8.437
   15   1HD1  LEU  15           HD1      LEU  15 -15.152  -4.385  10.721
   16   2HD1  LEU  15           HD1      LEU  15 -16.633  -3.509  11.112
   17   3HD1  LEU  15           HD1      LEU  15 -16.575  -4.553   9.692
   18   1HD2  LEU  15           HD2      LEU  15 -16.121  -0.674   9.913
   19   2HD2  LEU  15           HD2      LEU  15 -16.950  -1.375   8.524
   20   3HD2  LEU  15           HD2      LEU  15 -17.393  -1.871  10.158
   21    HA   PRO  16           HA       PRO  16 -12.483   2.069   9.893
   22   1HB   PRO  16          2HB       PRO  16 -10.392   2.036  11.663
   23   2HB   PRO  16          1HB       PRO  16 -12.082   1.804  12.141
   24   1HG   PRO  16          2HG       PRO  16  -9.897  -0.213  11.938
   25   2HG   PRO  16          1HG       PRO  16 -11.349  -0.228  12.954
   26   1HD   PRO  16          2HD       PRO  16 -10.984  -1.669  10.542
   27   2HD   PRO  16          1HD       PRO  16 -12.520  -1.433  11.404
   28    H    ARG  17           H        ARG  17 -11.624   2.604   7.837
   29    HA   ARG  17           HA       ARG  17  -8.787   3.103   7.685
   30   1HB   ARG  17          2HB       ARG  17  -8.453   1.579   5.647
   31   2HB   ARG  17          1HB       ARG  17  -8.508   0.782   7.219
   32   1HG   ARG  17          2HG       ARG  17 -10.134  -0.524   6.351
   33   2HG   ARG  17          1HG       ARG  17 -11.179   0.892   6.455
   34   1HD   ARG  17          2HD       ARG  17  -9.717   1.324   4.126
   35   2HD   ARG  17          1HD       ARG  17 -10.054  -0.407   4.093
   36    HE   ARG  17           HE       ARG  17 -12.353   1.346   4.690
   37   1HH1  ARG  17           HH1      ARG  17 -13.127  -1.213   3.768
   38   2HH1  ARG  17           HH1      ARG  17 -13.280  -1.056   2.050
   39   1HH2  ARG  17           HH2      ARG  17 -11.426   1.869   1.885
   40   2HH2  ARG  17           HH2      ARG  17 -12.317   0.689   0.984
   41    H    GLY  18           H        GLY  18 -10.612   4.964   7.365
   42   1HA   GLY  18          2HA       GLY  18 -10.771   5.361   4.406
   43   2HA   GLY  18          1HA       GLY  18 -12.135   5.770   5.448
   44    H    SER  19           H        SER  19  -8.619   6.331   5.808
   45    HA   SER  19           HA       SER  19  -8.962   9.210   5.467
   46   1HB   SER  19          2HB       SER  19  -8.173   9.762   7.769
   47   2HB   SER  19          1HB       SER  19  -9.756   8.990   7.763
   48    HG   SER  19           HG       SER  19  -8.914   7.234   8.631
   49    H    ILE  20           H        ILE  20  -6.875   6.599   6.667
   50    HA   ILE  20           HA       ILE  20  -4.423   8.065   6.137
   51    HB   ILE  20           HB       ILE  20  -5.042   5.174   6.767
   52   1HG1  ILE  20          2HG1      ILE  20  -3.941   5.689   8.860
   53   2HG1  ILE  20          1HG1      ILE  20  -3.420   7.261   8.252
   54   1HG2  ILE  20          2HG2      ILE  20  -2.623   6.333   5.566
   55   2HG2  ILE  20          1HG2      ILE  20  -2.311   5.460   7.066
   56   3HG2  ILE  20          3HG2      ILE  20  -3.102   4.642   5.719
   57   1HD1  ILE  20           HD1      ILE  20  -6.327   6.452   8.517
   58   2HD1  ILE  20           HD1      ILE  20  -5.448   7.355   9.751
   59   3HD1  ILE  20           HD1      ILE  20  -5.695   8.057   8.153
   60    H    ASP  21           H        ASP  21  -6.549   6.008   4.291
   61    HA   ASP  21           HA       ASP  21  -4.624   5.405   2.198
   62   1HB   ASP  21          2HB       ASP  21  -7.528   4.988   2.660
   63   2HB   ASP  21          1HB       ASP  21  -7.019   5.079   0.973
   64    H    LYS  22           H        LYS  22  -6.663   8.094   2.974
   65    HA   LYS  22           HA       LYS  22  -6.576   9.186   0.237
   66   1HB   LYS  22          2HB       LYS  22  -8.332   9.496   2.347
   67   2HB   LYS  22          1HB       LYS  22  -7.408  10.999   2.393
   68   1HG   LYS  22          2HG       LYS  22  -7.807  10.963  -0.219
   69   2HG   LYS  22          1HG       LYS  22  -9.165   9.922   0.215
   70   1HD   LYS  22          2HD       LYS  22  -9.979  12.195   0.185
   71   2HD   LYS  22          1HD       LYS  22  -9.881  11.688   1.872
   72   1HE   LYS  22          2HE       LYS  22  -7.985  12.992   2.292
   73   2HE   LYS  22          1HE       LYS  22  -7.533  13.058   0.589
   74   1HZ   LYS  22          2HZ       LYS  22  -9.632  14.365   0.248
   75   2HZ   LYS  22          1HZ       LYS  22  -9.746  14.490   1.939
   76   3HZ   LYS  22          3HZ       LYS  22  -8.415  15.157   1.129
   77    H    TYR  23           H        TYR  23  -4.249   8.844   2.420
   78    HA   TYR  23           HA       TYR  23  -2.827  11.244   1.488
   79   1HB   TYR  23          2HB       TYR  23  -3.665  10.830   4.346
   80   2HB   TYR  23          1HB       TYR  23  -2.158  11.674   3.983
   81    HD1  TYR  23           HD2      TYR  23  -2.600  13.275   1.697
   82    HD2  TYR  23           HD1      TYR  23  -5.384  12.326   4.827
   83    HE1  TYR  23           HE2      TYR  23  -3.876  15.339   1.187
   84    HE2  TYR  23           HE1      TYR  23  -6.660  14.391   4.319
   85    HH   TYR  23           HH       TYR  23  -6.331  16.541   3.270
   86    H    VAL  24           H        VAL  24  -2.536   8.338   1.193
   87    HA   VAL  24           HA       VAL  24   0.125   8.015   2.522
   88    HB   VAL  24           HB       VAL  24  -1.742   6.445   3.282
   89   1HG1  VAL  24          2HG1      VAL  24  -2.419   6.245   0.715
   90   2HG1  VAL  24          1HG1      VAL  24  -1.260   4.916   0.757
   91   3HG1  VAL  24          3HG1      VAL  24  -2.662   4.899   1.828
   92   1HG2  VAL  24          2HG2      VAL  24   0.872   5.522   2.095
   93   2HG2  VAL  24          1HG2      VAL  24   0.450   5.742   3.794
   94   3HG2  VAL  24          3HG2      VAL  24  -0.208   4.377   2.891
   95    H    LYS  25           H        LYS  25   1.720   8.175   1.013
   96    HA   LYS  25           HA       LYS  25   1.068   7.406  -1.796
   97   1HB   LYS  25          2HB       LYS  25   2.100   9.726  -1.023
   98   2HB   LYS  25          1HB       LYS  25   3.606   8.809  -1.054
   99   1HG   LYS  25          2HG       LYS  25   3.079   8.093  -3.388
  100   2HG   LYS  25          1HG       LYS  25   1.651   9.128  -3.349
  101   1HD   LYS  25          2HD       LYS  25   2.942  10.856  -3.990
  102   2HD   LYS  25          1HD       LYS  25   3.808  10.727  -2.459
  103   1HE   LYS  25          2HE       LYS  25   5.621  10.261  -3.740
  104   2HE   LYS  25          1HE       LYS  25   4.901   8.661  -3.917
  105   1HZ   LYS  25          3HZ       LYS  25   4.084  10.851  -5.707
  106   2HZ   LYS  25          2HZ       LYS  25   5.525  10.003  -6.010
  107   3HZ   LYS  25          1HZ       LYS  25   4.042   9.176  -5.974
  108    H    GLU  26           H        GLU  26   1.393   5.135  -1.570
  109    HA   GLU  26           HA       GLU  26   4.025   4.198  -0.598
  110   1HB   GLU  26          2HB       GLU  26   1.982   2.398  -1.865
  111   2HB   GLU  26          1HB       GLU  26   3.096   2.060  -0.539
  112   1HG   GLU  26          2HG       GLU  26   1.362   2.447   0.854
  113   2HG   GLU  26          1HG       GLU  26   1.530   4.151   0.428
  114    H    MET  27           H        MET  27   5.663   4.395  -2.065
  115    HA   MET  27           HA       MET  27   5.063   4.241  -4.948
  116   1HB   MET  27          2HB       MET  27   7.765   4.595  -3.634
  117   2HB   MET  27          1HB       MET  27   7.311   5.012  -5.286
  118   1HG   MET  27          2HG       MET  27   5.454   6.399  -3.778
  119   2HG   MET  27          1HG       MET  27   6.920   6.531  -2.807
  120   1HE   MET  27          3HE       MET  27   8.006   8.360  -2.824
  121   2HE   MET  27          2HE       MET  27   9.294   7.686  -3.819
  122   3HE   MET  27          1HE       MET  27   8.675   9.298  -4.167
  123    HA   PRO  28           HA       PRO  28   6.136  -0.019  -5.224
  124   1HB   PRO  28          2HB       PRO  28   6.567  -0.089  -7.945
  125   2HB   PRO  28          1HB       PRO  28   4.958  -0.086  -7.200
  126   1HG   PRO  28          2HG       PRO  28   6.411   2.151  -8.555
  127   2HG   PRO  28          1HG       PRO  28   4.668   1.852  -8.436
  128   1HD   PRO  28          2HD       PRO  28   6.078   3.719  -6.895
  129   2HD   PRO  28          1HD       PRO  28   4.481   3.058  -6.483
  130    H    ASP  29           H        ASP  29   8.222   2.575  -5.782
  131    HA   ASP  29           HA       ASP  29  10.538   0.891  -6.490
  132   1HB   ASP  29          2HB       ASP  29  11.780   3.068  -6.432
  133   2HB   ASP  29          1HB       ASP  29  10.415   3.090  -7.549
  134    H    LYS  30           H        LYS  30   8.910   0.906  -3.871
  135    HA   LYS  30           HA       LYS  30   9.405   0.413  -1.653
  136   1HB   LYS  30          2HB       LYS  30  12.260   0.694  -2.623
  137   2HB   LYS  30          1HB       LYS  30  11.818   0.203  -0.992
  138   1HG   LYS  30          2HG       LYS  30  11.041  -1.854  -1.670
  139   2HG   LYS  30          1HG       LYS  30  10.533  -1.258  -3.251
  140   1HD   LYS  30          2HD       LYS  30  12.502  -2.779  -3.400
  141   2HD   LYS  30          1HD       LYS  30  12.856  -1.158  -4.002
  142   1HE   LYS  30          2HE       LYS  30  13.381  -1.841  -1.119
  143   2HE   LYS  30          1HE       LYS  30  14.549  -2.290  -2.361
  144   1HZ   LYS  30          3HZ       LYS  30  14.060   0.228  -3.041
  145   2HZ   LYS  30          2HZ       LYS  30  13.819   0.337  -1.363
  146   3HZ   LYS  30          1HZ       LYS  30  15.301  -0.221  -1.977
  147    H    THR  31           H        THR  31   8.423   2.793  -1.968
  148    HA   THR  31           HA       THR  31  10.072   4.497  -0.194
  149    HB   THR  31           HB       THR  31   8.638   5.762  -2.489
  150    HG1  THR  31           HG1      THR  31  11.359   5.222  -2.689
  151   1HG2  THR  31          1HG2      THR  31  10.519   6.523  -0.375
  152   2HG2  THR  31          3HG2      THR  31  10.980   7.116  -1.970
  153   3HG2  THR  31          2HG2      THR  31   9.402   7.528  -1.299
  154    H    PHE  32           H        PHE  32   8.553   6.553   0.334
  155    HA   PHE  32           HA       PHE  32   5.699   5.942   0.392
  156   1HB   PHE  32          2HB       PHE  32   7.451   5.288   2.682
  157   2HB   PHE  32          1HB       PHE  32   6.020   6.233   3.092
  158    HD1  PHE  32           HD2      PHE  32   3.753   5.365   2.605
  159    HD2  PHE  32           HD1      PHE  32   7.273   3.014   1.880
  160    HE1  PHE  32           HE2      PHE  32   2.353   3.325   2.425
  161    HE2  PHE  32           HE1      PHE  32   5.874   0.974   1.698
  162    HZ   PHE  32           HZ       PHE  32   3.414   1.130   1.971
  163    H    GLU  33           H        GLU  33   4.497   7.815   0.903
  164    HA   GLU  33           HA       GLU  33   5.939  10.159   1.974
  165   1HB   GLU  33          2HB       GLU  33   6.199  10.080  -0.582
  166   2HB   GLU  33          1HB       GLU  33   4.467  10.409  -0.651
  167   1HG   GLU  33          2HG       GLU  33   5.010  12.368   0.977
  168   2HG   GLU  33          1HG       GLU  33   6.673  12.152   0.428
  169    H    CYS  34           H        CYS  34   4.534  10.413   3.679
  170    HA   CYS  34           HA       CYS  34   1.716   9.998   3.622
  171   1HB   CYS  34          2HB       CYS  34   3.196  10.276   5.668
  172   2HB   CYS  34          1HB       CYS  34   3.207  12.005   5.338
  173    H    LEU  35           H        LEU  35   0.535  11.019   2.033
  174    HA   LEU  35           HA       LEU  35   1.187  13.664   1.055
  175   1HB   LEU  35          2HB       LEU  35  -1.306  11.980   0.689
  176   2HB   LEU  35          1HB       LEU  35  -0.940  13.453  -0.209
  177    HG   LEU  35           HG       LEU  35   1.372  11.843  -0.391
  178   1HD1  LEU  35           HD1      LEU  35  -1.205  10.301  -0.570
  179   2HD1  LEU  35           HD1      LEU  35   0.152   9.866  -1.609
  180   3HD1  LEU  35           HD1      LEU  35   0.331   9.814   0.145
  181   1HD2  LEU  35           HD2      LEU  35  -0.654  13.076  -2.097
  182   2HD2  LEU  35           HD2      LEU  35   1.077  12.884  -2.378
  183   3HD2  LEU  35           HD2      LEU  35  -0.034  11.577  -2.789
  184    H    PHE  36           H        PHE  36  -0.056  12.889   3.999
  185    HA   PHE  36           HA       PHE  36  -2.376  14.496   4.261
  186   1HB   PHE  36          2HB       PHE  36  -1.570  13.001   6.046
  187   2HB   PHE  36          1HB       PHE  36  -0.171  14.047   6.293
  188    HD1  PHE  36           HD2      PHE  36  -0.577  16.487   6.957
  189    HD2  PHE  36           HD1      PHE  36  -3.636  13.477   7.078
  190    HE1  PHE  36           HE2      PHE  36  -1.905  17.897   8.504
  191    HE2  PHE  36           HE1      PHE  36  -4.965  14.887   8.621
  192    HZ   PHE  36           HZ       PHE  36  -4.102  17.102   9.333
  193    HA   PRO  37           HA       PRO  37  -0.668  18.519   3.670
  194   1HB   PRO  37          2HB       PRO  37  -2.825  19.945   4.614
  195   2HB   PRO  37          1HB       PRO  37  -2.781  19.183   3.015
  196   1HG   PRO  37          2HG       PRO  37  -4.237  18.313   5.470
  197   2HG   PRO  37          1HG       PRO  37  -4.629  18.014   3.769
  198   1HD   PRO  37          2HD       PRO  37  -3.429  16.160   5.532
  199   2HD   PRO  37          1HD       PRO  37  -3.499  16.016   3.763
  200    H    GLY  38           H        GLY  38   0.971  18.927   5.092
  201   1HA   GLY  38          2HA       GLY  38   1.466  20.469   7.025
  202   2HA   GLY  38          1HA       GLY  38   0.222  19.581   7.913
  203    H    CYS  39           H        CYS  39   1.213  17.087   6.408
  204    HA   CYS  39           HA       CYS  39   2.921  16.092   8.495
  205   1HB   CYS  39          2HB       CYS  39   1.458  14.738   6.893
  206   2HB   CYS  39          1HB       CYS  39   2.736  14.958   5.698
  207    H    THR  40           H        THR  40   5.183  15.250   8.067
  208    HA   THR  40           HA       THR  40   6.700  16.589   5.942
  209    HB   THR  40           HB       THR  40   7.754  17.110   8.684
  210    HG1  THR  40           HG1      THR  40   5.655  17.808   8.914
  211   1HG2  THR  40          3HG2      THR  40   8.418  17.806   6.060
  212   2HG2  THR  40          2HG2      THR  40   7.734  19.279   6.748
  213   3HG2  THR  40          1HG2      THR  40   9.105  18.493   7.530
  214    H    LYS  41           H        LYS  41   6.156  13.823   6.755
  215    HA   LYS  41           HA       LYS  41   8.984  12.985   7.213
  216   1HB   LYS  41          2HB       LYS  41   7.053  12.744   9.153
  217   2HB   LYS  41          1HB       LYS  41   6.948  11.181   8.345
  218   1HG   LYS  41          2HG       LYS  41   8.788  10.525   9.457
  219   2HG   LYS  41          1HG       LYS  41   9.708  11.763   8.600
  220   1HD   LYS  41          2HD       LYS  41   9.908  12.018  11.058
  221   2HD   LYS  41          1HD       LYS  41   9.125  13.417  10.319
  222   1HE   LYS  41          2HE       LYS  41   7.249  13.077  11.517
  223   2HE   LYS  41          1HE       LYS  41   7.160  11.397  10.988
  224   1HZ   LYS  41          3HZ       LYS  41   9.155  11.224  12.707
  225   2HZ   LYS  41          2HZ       LYS  41   8.320  12.526  13.409
  226   3HZ   LYS  41          1HZ       LYS  41   7.534  11.038  13.170
  227    H    THR  42           H        THR  42   9.639  11.310   5.906
  228    HA   THR  42           HA       THR  42   7.539   9.966   4.250
  229    HB   THR  42           HB       THR  42   8.885  10.122   2.325
  230    HG1  THR  42           HG1      THR  42  10.840   9.520   3.279
  231   1HG2  THR  42          3HG2      THR  42   8.247  12.450   3.775
  232   2HG2  THR  42          2HG2      THR  42   9.869  12.714   3.136
  233   3HG2  THR  42          1HG2      THR  42   8.543  12.324   2.041
  234    H    PHE  43           H        PHE  43   8.145   7.765   3.565
  235    HA   PHE  43           HA       PHE  43  10.369   6.571   5.155
  236   1HB   PHE  43          2HB       PHE  43   7.778   5.085   4.914
  237   2HB   PHE  43          1HB       PHE  43   9.020   4.965   6.160
  238    HD1  PHE  43           HD1      PHE  43   6.485   7.345   4.765
  239    HD2  PHE  43           HD2      PHE  43   8.765   6.119   8.192
  240    HE1  PHE  43           HE1      PHE  43   5.243   8.967   6.170
  241    HE2  PHE  43           HE2      PHE  43   7.524   7.743   9.598
  242    HZ   PHE  43           HZ       PHE  43   5.764   9.168   8.585
  243    H    LYS  44           H        LYS  44  10.148   3.959   4.408
  244    HA   LYS  44           HA       LYS  44   9.733   3.836   1.491
  245   1HB   LYS  44          2HB       LYS  44  12.397   2.870   2.436
  246   2HB   LYS  44          1HB       LYS  44  11.930   3.504   0.860
  247   1HG   LYS  44          2HG       LYS  44  11.881   5.766   1.704
  248   2HG   LYS  44          1HG       LYS  44  12.107   5.203   3.360
  249   1HD   LYS  44          2HD       LYS  44  14.097   5.029   1.082
  250   2HD   LYS  44          1HD       LYS  44  14.250   5.976   2.563
  251   1HE   LYS  44          2HE       LYS  44  15.381   4.192   3.381
  252   2HE   LYS  44          1HE       LYS  44  13.797   3.431   3.532
  253   1HZ   LYS  44          3HZ       LYS  44  14.620   3.171   0.880
  254   2HZ   LYS  44          2HZ       LYS  44  15.930   2.707   1.858
  255   3HZ   LYS  44          1HZ       LYS  44  14.422   1.945   2.036
  256    H    ARG  45           H        ARG  45   8.838   1.891   1.039
  257    HA   ARG  45           HA       ARG  45   7.979  -0.264   1.487
  258   1HB   ARG  45          2HB       ARG  45  10.429  -0.527   0.670
  259   2HB   ARG  45          1HB       ARG  45  10.798  -0.900   2.354
  260   1HG   ARG  45          2HG       ARG  45   8.793  -2.571   2.158
  261   2HG   ARG  45          1HG       ARG  45   9.065  -2.420   0.421
  262   1HD   ARG  45          2HD       ARG  45  11.468  -3.012   0.794
  263   2HD   ARG  45          1HD       ARG  45  11.095  -3.294   2.495
  264    HE   ARG  45           HE       ARG  45   9.511  -4.816   0.509
  265   1HH1  ARG  45           HH2      ARG  45  10.388  -5.080   3.596
  266   2HH1  ARG  45           HH2      ARG  45  11.221  -6.595   3.486
  267   1HH2  ARG  45           HH1      ARG  45  11.306  -6.594   0.019
  268   2HH2  ARG  45           HH1      ARG  45  11.741  -7.452   1.460
  269    H    ARG  46           H        ARG  46   6.662   0.131   3.335
  270    HA   ARG  46           HA       ARG  46   7.283  -1.323   5.683
  271   1HB   ARG  46          2HB       ARG  46   8.813   0.910   5.698
  272   2HB   ARG  46          1HB       ARG  46   7.358   1.541   6.469
  273   1HG   ARG  46          2HG       ARG  46   7.848   0.471   8.386
  274   2HG   ARG  46          1HG       ARG  46   7.983  -1.069   7.536
  275   1HD   ARG  46          2HD       ARG  46  10.302  -0.411   6.836
  276   2HD   ARG  46          1HD       ARG  46  10.155   1.021   7.854
  277    HE   ARG  46           HE       ARG  46  10.794  -1.599   8.800
  278   1HH1  ARG  46           HH1      ARG  46   8.271  -1.728  10.107
  279   2HH1  ARG  46           HH1      ARG  46   8.451  -0.757  11.530
  280   1HH2  ARG  46           HH2      ARG  46  11.268   0.896  10.367
  281   2HH2  ARG  46           HH2      ARG  46  10.147   0.730  11.676
  282    H    TYR  47           H        TYR  47   5.510  -1.296   7.166
  283    HA   TYR  47           HA       TYR  47   3.148   0.264   6.210
  284   1HB   TYR  47          2HB       TYR  47   2.289  -1.873   7.872
  285   2HB   TYR  47          1HB       TYR  47   2.032  -1.702   6.137
  286    HD1  TYR  47           HD1      TYR  47   4.412  -2.968   8.704
  287    HD2  TYR  47           HD2      TYR  47   3.203  -3.050   4.587
  288    HE1  TYR  47           HE1      TYR  47   5.950  -4.874   8.291
  289    HE2  TYR  47           HE2      TYR  47   4.738  -4.958   4.168
  290    HH   TYR  47           HH       TYR  47   5.766  -6.888   5.847
  291    H    ASN  48           H        ASN  48   5.242   1.024   8.190
  292    HA   ASN  48           HA       ASN  48   3.612   0.997  10.663
  293   1HB   ASN  48          2HB       ASN  48   6.541   1.325  10.102
  294   2HB   ASN  48          1HB       ASN  48   5.869   2.038  11.569
  295   1HD2  ASN  48           HD2      ASN  48   5.350  -2.031  11.252
  296   2HD2  ASN  48           HD2      ASN  48   5.042  -1.049   9.901
  297    H    ILE  49           H        ILE  49   4.726   2.962   8.096
  298    HA   ILE  49           HA       ILE  49   4.474   5.508   9.469
  299    HB   ILE  49           HB       ILE  49   5.472   6.307   7.615
  300   1HG1  ILE  49          2HG1      ILE  49   3.145   6.670   6.737
  301   2HG1  ILE  49          1HG1      ILE  49   4.361   6.458   5.479
  302   1HG2  ILE  49          3HG2      ILE  49   6.399   4.020   7.443
  303   2HG2  ILE  49          2HG2      ILE  49   5.067   3.578   6.374
  304   3HG2  ILE  49          1HG2      ILE  49   6.237   4.793   5.867
  305   1HD1  ILE  49           HD1      ILE  49   3.400   3.873   6.179
  306   2HD1  ILE  49           HD1      ILE  49   1.996   4.913   5.941
  307   3HD1  ILE  49           HD1      ILE  49   3.187   4.732   4.653
  308    H    ARG  50           H        ARG  50   2.332   3.337   7.759
  309    HA   ARG  50           HA       ARG  50   0.159   5.116   7.290
  310   1HB   ARG  50          2HB       ARG  50  -1.244   3.120   7.240
  311   2HB   ARG  50          1HB       ARG  50   0.292   2.749   6.456
  312   1HG   ARG  50          2HG       ARG  50   1.091   1.872   8.710
  313   2HG   ARG  50          1HG       ARG  50  -0.583   1.998   9.253
  314   1HD   ARG  50          2HD       ARG  50  -0.068   0.588   6.672
  315   2HD   ARG  50          1HD       ARG  50   0.360  -0.251   8.163
  316    HE   ARG  50           HE       ARG  50  -2.368   0.443   7.292
  317   1HH1  ARG  50           HH1      ARG  50  -3.319   0.977   9.643
  318   2HH1  ARG  50           HH1      ARG  50  -3.202  -0.409  10.676
  319   1HH2  ARG  50           HH2      ARG  50  -0.875  -2.029   8.681
  320   2HH2  ARG  50           HH2      ARG  50  -1.818  -2.111  10.131
  321    H    SER  51           H        SER  51   1.045   3.184  10.145
  322    HA   SER  51           HA       SER  51  -1.198   4.000  11.745
  323   1HB   SER  51          2HB       SER  51   0.129   2.080  12.429
  324   2HB   SER  51          1HB       SER  51   1.584   3.068  12.516
  325    HG   SER  51           HG       SER  51  -0.295   2.659  14.376
  326    H    HIS  52           H        HIS  52   2.055   5.305  11.238
  327    HA   HIS  52           HA       HIS  52   2.086   7.325  13.184
  328   1HB   HIS  52          2HB       HIS  52   4.074   7.578  12.094
  329   2HB   HIS  52          1HB       HIS  52   3.446   6.800  10.646
  330    HD1  HIS  52           HD1      HIS  52   4.648   9.993  11.806
  331    HD2  HIS  52           HD2      HIS  52   1.739   8.782   9.085
  332    HE1  HIS  52           HE1      HIS  52   4.075  12.029  10.410
  333    H    ILE  53           H        ILE  53   0.573   7.362   9.982
  334    HA   ILE  53           HA       ILE  53  -0.416  10.039  10.118
  335    HB   ILE  53           HB       ILE  53  -1.622   7.608   8.738
  336   1HG1  ILE  53          2HG1      ILE  53   0.427   9.662   7.888
  337   2HG1  ILE  53          1HG1      ILE  53   0.590   7.908   7.891
  338   1HG2  ILE  53          2HG2      ILE  53  -3.121   9.613   9.060
  339   2HG2  ILE  53          1HG2      ILE  53  -1.978  10.539   8.087
  340   3HG2  ILE  53          3HG2      ILE  53  -2.835   9.171   7.378
  341   1HD1  ILE  53           HD1      ILE  53  -1.229   7.789   6.169
  342   2HD1  ILE  53           HD1      ILE  53  -1.222   9.551   6.099
  343   3HD1  ILE  53           HD1      ILE  53   0.207   8.643   5.606
  344    H    GLN  54           H        GLN  54  -2.225   7.010  10.604
  345    HA   GLN  54           HA       GLN  54  -4.596   7.923  11.612
  346   1HB   GLN  54          2HB       GLN  54  -3.485   5.475  11.520
  347   2HB   GLN  54          1HB       GLN  54  -3.328   5.781  13.250
  348   1HG   GLN  54          2HG       GLN  54  -5.454   4.792  13.086
  349   2HG   GLN  54          1HG       GLN  54  -5.822   6.518  13.112
  350   1HE2  GLN  54          2HE2      GLN  54  -5.892   4.826   9.362
  351   2HE2  GLN  54          1HE2      GLN  54  -4.601   4.473  10.407
  352    H    THR  55           H        THR  55  -1.477   8.093  13.237
  353    HA   THR  55           HA       THR  55  -2.701   8.877  15.769
  354    HB   THR  55           HB       THR  55   0.134   9.590  15.162
  355    HG1  THR  55           HG1      THR  55   0.393   7.659  14.358
  356   1HG2  THR  55          1HG2      THR  55  -1.556   8.805  17.453
  357   2HG2  THR  55          3HG2      THR  55   0.075   8.134  17.469
  358   3HG2  THR  55          2HG2      THR  55  -0.159   9.881  17.399
  359    H    HIS  56           H        HIS  56  -0.940  10.588  13.183
  360    HA   HIS  56           HA       HIS  56  -1.872  13.111  14.366
  361   1HB   HIS  56          2HB       HIS  56  -0.113  14.117  13.362
  362   2HB   HIS  56          1HB       HIS  56   0.525  12.492  13.369
  363    HD1  HIS  56           HD1      HIS  56  -1.237  14.918  11.009
  364    HD2  HIS  56           HD2      HIS  56   1.181  11.540  10.900
  365    HE1  HIS  56           HE1      HIS  56  -0.333  14.744   8.641
  366    H    LEU  57           H        LEU  57  -3.536  11.059  12.957
  367    HA   LEU  57           HA       LEU  57  -4.800  12.926  11.014
  368   1HB   LEU  57          2HB       LEU  57  -3.999  10.147  10.639
  369   2HB   LEU  57          1HB       LEU  57  -5.725  10.366  10.369
  370    HG   LEU  57           HG       LEU  57  -4.404  10.728   8.296
  371   1HD1  LEU  57           HD1      LEU  57  -5.943  12.989   9.559
  372   2HD1  LEU  57           HD1      LEU  57  -5.261  13.169   7.943
  373   3HD1  LEU  57           HD1      LEU  57  -6.440  11.898   8.267
  374   1HD2  LEU  57           HD2      LEU  57  -2.509  11.793   9.846
  375   2HD2  LEU  57           HD2      LEU  57  -2.685  12.272   8.158
  376   3HD2  LEU  57           HD2      LEU  57  -3.353  13.287   9.435
  377    H    GLU  58           H        GLU  58  -5.147  10.644  13.673
  378    HA   GLU  58           HA       GLU  58  -8.086  10.905  13.640
  379   1HB   GLU  58          2HB       GLU  58  -7.154   8.735  14.255
  380   2HB   GLU  58          1HB       GLU  58  -6.200   9.479  15.539
  381   1HG   GLU  58          2HG       GLU  58  -7.967   8.950  16.868
  382   2HG   GLU  58          1HG       GLU  58  -8.720  10.373  16.147
  383    H    ASP  59           H        ASP  59  -5.378  11.759  15.813
  384    HA   ASP  59           HA       ASP  59  -6.351  14.310  16.511
  385   1HB   ASP  59          2HB       ASP  59  -7.165  13.685  18.889
  386   2HB   ASP  59          1HB       ASP  59  -8.279  13.409  17.549
  387    H    ARG  60           H        ARG  60  -4.169  14.852  16.631
  388    HA   ARG  60           HA       ARG  60  -2.174  13.321  17.992
  389   1HB   ARG  60          2HB       ARG  60  -0.914  15.548  18.001
  390   2HB   ARG  60          1HB       ARG  60  -1.428  14.957  16.421
  391   1HG   ARG  60          2HG       ARG  60  -3.110  16.548  16.219
  392   2HG   ARG  60          1HG       ARG  60  -3.272  16.748  17.965
  393   1HD   ARG  60          2HD       ARG  60  -2.194  18.730  17.093
  394   2HD   ARG  60          1HD       ARG  60  -0.983  17.802  17.978
  395    HE   ARG  60           HE       ARG  60  -0.542  16.861  15.504
  396   1HH1  ARG  60           HH2      ARG  60  -0.787  19.998  16.866
  397   2HH1  ARG  60           HH2      ARG  60  -0.115  20.804  15.488
  398   1HH2  ARG  60           HH1      ARG  60   0.136  17.913  13.590
  399   2HH2  ARG  60           HH1      ARG  60   0.409  19.623  13.633
   
  No H/Q in entry =         399
  Start of MODEL   17
    1   1H    THR  14          2H        THR  14 -10.401   1.049  12.896
    2   2H    THR  14          1H        THR  14 -10.130   0.901  14.567
    3   3H    THR  14          3H        THR  14 -11.706   1.126  13.981
    4    HA   THR  14           HA       THR  14 -11.278   3.251  14.608
    5    HB   THR  14           HB       THR  14  -8.770   4.070  14.031
    6    HG1  THR  14           HG1      THR  14  -8.225   2.000  13.216
    7   1HG2  THR  14          2HG2      THR  14  -9.735   2.514  16.439
    8   2HG2  THR  14          1HG2      THR  14  -8.201   3.383  16.402
    9   3HG2  THR  14          3HG2      THR  14  -9.719   4.265  16.229
   10    H    LEU  15           H        LEU  15 -12.466   2.617  12.289
   11    HA   LEU  15           HA       LEU  15 -12.974   3.488  10.170
   12   1HB   LEU  15          2HB       LEU  15 -11.726   5.604  11.642
   13   2HB   LEU  15          1HB       LEU  15 -11.140   5.669   9.979
   14    HG   LEU  15           HG       LEU  15 -13.806   5.184   9.587
   15   1HD1  LEU  15           HD1      LEU  15 -14.159   5.452  12.069
   16   2HD1  LEU  15           HD1      LEU  15 -13.615   7.121  11.910
   17   3HD1  LEU  15           HD1      LEU  15 -15.081   6.591  11.088
   18   1HD2  LEU  15           HD2      LEU  15 -12.047   7.060   8.825
   19   2HD2  LEU  15           HD2      LEU  15 -13.782   7.266   8.590
   20   3HD2  LEU  15           HD2      LEU  15 -12.981   8.029   9.964
   21    HA   PRO  16           HA       PRO  16  -9.270   1.515   8.391
   22   1HB   PRO  16          2HB       PRO  16 -10.716  -0.225   6.829
   23   2HB   PRO  16          1HB       PRO  16 -10.271  -0.558   8.512
   24   1HG   PRO  16          2HG       PRO  16 -12.926   0.209   7.391
   25   2HG   PRO  16          1HG       PRO  16 -12.550  -0.708   8.859
   26   1HD   PRO  16          2HD       PRO  16 -13.304   2.021   8.753
   27   2HD   PRO  16          1HD       PRO  16 -12.619   1.179  10.160
   28    H    ARG  17           H        ARG  17  -8.337   2.111   6.444
   29    HA   ARG  17           HA       ARG  17  -8.111   3.579   4.598
   30   1HB   ARG  17          2HB       ARG  17  -8.959   2.551   2.650
   31   2HB   ARG  17          1HB       ARG  17  -8.785   1.225   3.794
   32   1HG   ARG  17          2HG       ARG  17 -10.981   0.767   3.640
   33   2HG   ARG  17          1HG       ARG  17 -11.390   2.409   4.124
   34   1HD   ARG  17          2HD       ARG  17 -10.543   2.770   1.531
   35   2HD   ARG  17          1HD       ARG  17 -11.352   1.206   1.445
   36    HE   ARG  17           HE       ARG  17 -12.889   3.261   2.857
   37   1HH1  ARG  17           HH2      ARG  17 -12.948   0.907   0.502
   38   2HH1  ARG  17           HH2      ARG  17 -14.041   1.729  -0.561
   39   1HH2  ARG  17           HH1      ARG  17 -13.943   4.707   1.212
   40   2HH2  ARG  17           HH1      ARG  17 -14.603   3.881  -0.159
   41    H    GLY  18           H        GLY  18  -9.851   4.756   6.542
   42   1HA   GLY  18          2HA       GLY  18 -12.037   5.914   4.888
   43   2HA   GLY  18          1HA       GLY  18 -11.915   6.037   6.643
   44    H    SER  19           H        SER  19  -8.910   6.539   5.172
   45    HA   SER  19           HA       SER  19  -8.951   9.167   4.231
   46   1HB   SER  19          2HB       SER  19  -9.630   9.084   6.999
   47   2HB   SER  19          1HB       SER  19  -8.021   9.789   6.869
   48    HG   SER  19           HG       SER  19 -10.282  10.984   6.429
   49    H    ILE  20           H        ILE  20  -7.318   6.735   6.150
   50    HA   ILE  20           HA       ILE  20  -4.675   7.845   6.018
   51    HB   ILE  20           HB       ILE  20  -5.171   4.880   5.970
   52   1HG1  ILE  20          2HG1      ILE  20  -6.866   5.544   7.506
   53   2HG1  ILE  20          1HG1      ILE  20  -5.480   5.139   8.516
   54   1HG2  ILE  20          1HG2      ILE  20  -2.939   6.463   6.338
   55   2HG2  ILE  20          3HG2      ILE  20  -3.425   6.098   7.993
   56   3HG2  ILE  20          2HG2      ILE  20  -3.091   4.786   6.863
   57   1HD1  ILE  20           HD1      ILE  20  -4.881   7.679   8.245
   58   2HD1  ILE  20           HD1      ILE  20  -6.584   7.846   7.822
   59   3HD1  ILE  20           HD1      ILE  20  -6.127   7.205   9.400
   60    H    ASP  21           H        ASP  21  -6.531   5.775   3.841
   61    HA   ASP  21           HA       ASP  21  -4.340   5.265   2.026
   62   1HB   ASP  21          2HB       ASP  21  -7.346   5.073   1.766
   63   2HB   ASP  21          1HB       ASP  21  -6.268   4.708   0.418
   64    H    LYS  22           H        LYS  22  -6.504   7.935   2.508
   65    HA   LYS  22           HA       LYS  22  -6.065   9.064  -0.162
   66   1HB   LYS  22          2HB       LYS  22  -8.082   9.404   1.539
   67   2HB   LYS  22          1HB       LYS  22  -7.060  10.715   2.128
   68   1HG   LYS  22          2HG       LYS  22  -7.041  11.794   0.004
   69   2HG   LYS  22          1HG       LYS  22  -7.698  10.370  -0.806
   70   1HD   LYS  22          2HD       LYS  22  -9.627  11.632  -0.608
   71   2HD   LYS  22          1HD       LYS  22  -9.692  10.742   0.913
   72   1HE   LYS  22          2HE       LYS  22  -9.319  12.605   2.155
   73   2HE   LYS  22          1HE       LYS  22  -8.085  13.203   1.046
   74   1HZ   LYS  22          2HZ       LYS  22 -10.694  13.242  -0.115
   75   2HZ   LYS  22          1HZ       LYS  22 -10.624  14.171   1.307
   76   3HZ   LYS  22          3HZ       LYS  22  -9.556  14.496   0.029
   77    H    TYR  23           H        TYR  23  -4.116   8.743   2.498
   78    HA   TYR  23           HA       TYR  23  -2.495  11.088   1.645
   79   1HB   TYR  23          2HB       TYR  23  -3.288  10.410   4.490
   80   2HB   TYR  23          1HB       TYR  23  -1.970  11.511   4.087
   81    HD1  TYR  23           HD2      TYR  23  -2.881  13.051   1.852
   82    HD2  TYR  23           HD1      TYR  23  -5.139  11.635   5.222
   83    HE1  TYR  23           HE2      TYR  23  -4.513  14.890   1.532
   84    HE2  TYR  23           HE1      TYR  23  -6.770  13.476   4.902
   85    HH   TYR  23           HH       TYR  23  -6.686  15.536   2.082
   86    H    VAL  24           H        VAL  24  -2.274   8.201   1.148
   87    HA   VAL  24           HA       VAL  24   0.341   7.724   2.523
   88    HB   VAL  24           HB       VAL  24  -1.846   5.751   1.820
   89   1HG1  VAL  24          3HG1      VAL  24   1.029   5.387   1.855
   90   2HG1  VAL  24          2HG1      VAL  24   0.269   4.427   3.125
   91   3HG1  VAL  24          1HG1      VAL  24  -0.232   4.223   1.447
   92   1HG2  VAL  24          2HG2      VAL  24  -1.525   7.182   4.085
   93   2HG2  VAL  24          1HG2      VAL  24  -2.148   5.532   4.089
   94   3HG2  VAL  24          3HG2      VAL  24  -0.448   5.834   4.448
   95    H    LYS  25           H        LYS  25   1.718   8.350   0.868
   96    HA   LYS  25           HA       LYS  25   1.166   7.503  -1.902
   97   1HB   LYS  25          2HB       LYS  25   2.085   9.710  -1.671
   98   2HB   LYS  25          1HB       LYS  25   3.385   9.126  -0.633
   99   1HG   LYS  25          2HG       LYS  25   4.594   8.267  -2.389
  100   2HG   LYS  25          1HG       LYS  25   3.151   7.879  -3.328
  101   1HD   LYS  25          2HD       LYS  25   3.404  10.747  -2.919
  102   2HD   LYS  25          1HD       LYS  25   4.833  10.083  -3.710
  103   1HE   LYS  25          2HE       LYS  25   3.485  10.439  -5.559
  104   2HE   LYS  25          1HE       LYS  25   3.012   8.790  -5.150
  105   1HZ   LYS  25          3HZ       LYS  25   1.612  11.141  -4.031
  106   2HZ   LYS  25          2HZ       LYS  25   1.164  10.458  -5.521
  107   3HZ   LYS  25          1HZ       LYS  25   1.079   9.532  -4.098
  108    H    GLU  26           H        GLU  26   1.361   5.190  -1.617
  109    HA   GLU  26           HA       GLU  26   3.952   4.128  -0.694
  110   1HB   GLU  26          2HB       GLU  26   1.925   2.915  -0.067
  111   2HB   GLU  26          1HB       GLU  26   1.467   2.754  -1.763
  112   1HG   GLU  26          2HG       GLU  26   4.185   1.800  -1.214
  113   2HG   GLU  26          1HG       GLU  26   2.947   0.909  -0.328
  114    H    MET  27           H        MET  27   5.568   4.418  -2.191
  115    HA   MET  27           HA       MET  27   4.977   4.145  -5.066
  116   1HB   MET  27          2HB       MET  27   6.858   5.589  -3.572
  117   2HB   MET  27          1HB       MET  27   7.798   4.344  -4.393
  118   1HG   MET  27          2HG       MET  27   7.683   5.574  -6.275
  119   2HG   MET  27          1HG       MET  27   5.941   5.298  -6.297
  120   1HE   MET  27          3HE       MET  27   8.761   6.992  -4.745
  121   2HE   MET  27          2HE       MET  27   8.392   8.713  -4.668
  122   3HE   MET  27          1HE       MET  27   7.837   7.643  -3.384
  123    HA   PRO  28           HA       PRO  28   6.093  -0.108  -5.169
  124   1HB   PRO  28          2HB       PRO  28   6.548  -0.292  -7.881
  125   2HB   PRO  28          1HB       PRO  28   4.933  -0.257  -7.151
  126   1HG   PRO  28          2HG       PRO  28   6.392   1.916  -8.593
  127   2HG   PRO  28          1HG       PRO  28   4.649   1.628  -8.464
  128   1HD   PRO  28          2HD       PRO  28   6.074   3.553  -6.999
  129   2HD   PRO  28          1HD       PRO  28   4.463   2.932  -6.579
  130    H    ASP  29           H        ASP  29   8.195   2.463  -5.856
  131    HA   ASP  29           HA       ASP  29  10.499   0.737  -6.487
  132   1HB   ASP  29          2HB       ASP  29  11.731   2.748  -6.823
  133   2HB   ASP  29          1HB       ASP  29  10.126   3.086  -7.469
  134    H    LYS  30           H        LYS  30   8.849   1.002  -3.826
  135    HA   LYS  30           HA       LYS  30   9.407   0.450  -1.623
  136   1HB   LYS  30          2HB       LYS  30  12.267   1.050  -2.363
  137   2HB   LYS  30          1HB       LYS  30  11.698   0.112  -0.988
  138   1HG   LYS  30          2HG       LYS  30  11.315  -1.755  -2.252
  139   2HG   LYS  30          1HG       LYS  30  10.792  -0.820  -3.655
  140   1HD   LYS  30          2HD       LYS  30  12.905  -0.674  -4.511
  141   2HD   LYS  30          1HD       LYS  30  13.650  -0.532  -2.918
  142   1HE   LYS  30          2HE       LYS  30  12.451  -3.135  -3.177
  143   2HE   LYS  30          1HE       LYS  30  13.511  -2.843  -4.555
  144   1HZ   LYS  30          1HZ       LYS  30  15.152  -2.015  -2.795
  145   2HZ   LYS  30          3HZ       LYS  30  14.174  -2.838  -1.679
  146   3HZ   LYS  30          2HZ       LYS  30  14.922  -3.691  -2.945
  147    H    THR  31           H        THR  31   8.293   2.774  -1.966
  148    HA   THR  31           HA       THR  31   9.893   4.609  -0.280
  149    HB   THR  31           HB       THR  31   8.342   5.852  -2.477
  150    HG1  THR  31           HG1      THR  31  10.883   4.651  -2.838
  151   1HG2  THR  31          1HG2      THR  31  10.114   6.692  -0.513
  152   2HG2  THR  31          3HG2      THR  31  11.093   6.694  -1.979
  153   3HG2  THR  31          2HG2      THR  31   9.604   7.637  -1.912
  154    H    PHE  32           H        PHE  32   8.392   6.542   0.366
  155    HA   PHE  32           HA       PHE  32   5.530   5.942   0.456
  156   1HB   PHE  32          2HB       PHE  32   7.343   5.258   2.686
  157   2HB   PHE  32          1HB       PHE  32   5.935   6.211   3.153
  158    HD1  PHE  32           HD2      PHE  32   3.634   5.383   2.636
  159    HD2  PHE  32           HD1      PHE  32   7.129   2.979   1.964
  160    HE1  PHE  32           HE2      PHE  32   2.211   3.358   2.481
  161    HE2  PHE  32           HE1      PHE  32   5.706   0.953   1.809
  162    HZ   PHE  32           HZ       PHE  32   3.247   1.143   2.068
  163    H    GLU  33           H        GLU  33   4.358   7.844   0.939
  164    HA   GLU  33           HA       GLU  33   5.861  10.158   2.016
  165   1HB   GLU  33          2HB       GLU  33   5.586   9.844  -0.730
  166   2HB   GLU  33          1HB       GLU  33   4.264  10.934  -0.308
  167   1HG   GLU  33          2HG       GLU  33   5.865  12.387   0.905
  168   2HG   GLU  33          1HG       GLU  33   7.182  11.314   0.430
  169    H    CYS  34           H        CYS  34   4.499  10.308   3.793
  170    HA   CYS  34           HA       CYS  34   1.672   9.997   3.796
  171   1HB   CYS  34          2HB       CYS  34   3.167  10.140   5.821
  172   2HB   CYS  34          1HB       CYS  34   3.300  11.873   5.537
  173    H    LEU  35           H        LEU  35   0.557  11.095   2.187
  174    HA   LEU  35           HA       LEU  35   1.245  13.798   1.398
  175   1HB   LEU  35          2HB       LEU  35  -1.297  12.256   0.827
  176   2HB   LEU  35          1HB       LEU  35  -0.694  13.658  -0.057
  177    HG   LEU  35           HG       LEU  35   1.427  11.780   0.017
  178   1HD1  LEU  35           HD1      LEU  35  -0.752  10.292   0.480
  179   2HD1  LEU  35           HD1      LEU  35  -0.897  10.422  -1.273
  180   3HD1  LEU  35           HD1      LEU  35   0.557   9.724  -0.558
  181   1HD2  LEU  35           HD2      LEU  35  -0.358  13.089  -1.965
  182   2HD2  LEU  35           HD2      LEU  35   1.404  13.013  -1.915
  183   3HD2  LEU  35           HD2      LEU  35   0.479  11.640  -2.524
  184    H    PHE  36           H        PHE  36  -0.099  12.838   4.230
  185    HA   PHE  36           HA       PHE  36  -2.451  14.378   4.526
  186   1HB   PHE  36          2HB       PHE  36  -1.662  12.868   6.287
  187   2HB   PHE  36          1HB       PHE  36  -0.239  13.878   6.544
  188    HD1  PHE  36           HD2      PHE  36  -0.519  16.226   7.398
  189    HD2  PHE  36           HD1      PHE  36  -3.779  13.435   7.243
  190    HE1  PHE  36           HE2      PHE  36  -1.797  17.632   8.987
  191    HE2  PHE  36           HE1      PHE  36  -5.057  14.844   8.832
  192    HZ   PHE  36           HZ       PHE  36  -4.069  16.945   9.703
  193    HA   PRO  37           HA       PRO  37  -0.879  18.462   4.039
  194   1HB   PRO  37          2HB       PRO  37  -3.027  19.808   5.118
  195   2HB   PRO  37          1HB       PRO  37  -3.024  19.104   3.491
  196   1HG   PRO  37          2HG       PRO  37  -4.359  18.105   5.969
  197   2HG   PRO  37          1HG       PRO  37  -4.823  17.876   4.275
  198   1HD   PRO  37          2HD       PRO  37  -3.531  15.958   5.884
  199   2HD   PRO  37          1HD       PRO  37  -3.638  15.914   4.112
  200    H    GLY  38           H        GLY  38   0.800  18.917   5.389
  201   1HA   GLY  38          2HA       GLY  38   1.316  20.412   7.359
  202   2HA   GLY  38          1HA       GLY  38   0.180  19.413   8.272
  203    H    CYS  39           H        CYS  39   1.247  17.067   6.580
  204    HA   CYS  39           HA       CYS  39   3.198  16.158   8.527
  205   1HB   CYS  39          2HB       CYS  39   1.543  14.754   7.107
  206   2HB   CYS  39          1HB       CYS  39   2.746  14.899   5.825
  207    H    THR  40           H        THR  40   5.381  15.288   7.745
  208    HA   THR  40           HA       THR  40   6.564  16.583   5.410
  209    HB   THR  40           HB       THR  40   7.970  17.305   7.937
  210    HG1  THR  40           HG1      THR  40   6.373  18.442   8.632
  211   1HG2  THR  40          2HG2      THR  40   7.559  18.451   5.184
  212   2HG2  THR  40          1HG2      THR  40   8.204  19.448   6.487
  213   3HG2  THR  40          3HG2      THR  40   9.068  17.997   5.977
  214    H    LYS  41           H        LYS  41   6.208  13.884   6.709
  215    HA   LYS  41           HA       LYS  41   9.108  13.147   6.790
  216   1HB   LYS  41          2HB       LYS  41   7.645  12.956   8.966
  217   2HB   LYS  41          1HB       LYS  41   7.014  11.507   8.182
  218   1HG   LYS  41          2HG       LYS  41   8.975  10.365   8.419
  219   2HG   LYS  41          1HG       LYS  41   9.961  11.798   8.122
  220   1HD   LYS  41          2HD       LYS  41  10.225  11.046  10.448
  221   2HD   LYS  41          1HD       LYS  41   9.432  12.622  10.396
  222   1HE   LYS  41          2HE       LYS  41   7.215  11.387  10.491
  223   2HE   LYS  41          1HE       LYS  41   8.135   9.922  10.837
  224   1HZ   LYS  41          1HZ       LYS  41   8.461  12.401  12.420
  225   2HZ   LYS  41          3HZ       LYS  41   7.296  11.233  12.810
  226   3HZ   LYS  41          2HZ       LYS  41   8.945  10.824  12.823
  227    H    THR  42           H        THR  42   9.711  11.404   5.526
  228    HA   THR  42           HA       THR  42   7.530   9.988   4.046
  229    HB   THR  42           HB       THR  42   8.677  10.181   2.019
  230    HG1  THR  42           HG1      THR  42  10.910  10.602   3.677
  231   1HG2  THR  42          1HG2      THR  42   7.854  12.394   2.891
  232   2HG2  THR  42          3HG2      THR  42   9.494  12.722   3.448
  233   3HG2  THR  42          2HG2      THR  42   9.171  12.527   1.726
  234    H    PHE  43           H        PHE  43   7.943   7.751   3.641
  235    HA   PHE  43           HA       PHE  43  10.383   6.670   4.992
  236   1HB   PHE  43          2HB       PHE  43   7.825   5.109   5.000
  237   2HB   PHE  43          1HB       PHE  43   9.151   5.087   6.161
  238    HD1  PHE  43           HD1      PHE  43   6.458   7.325   4.830
  239    HD2  PHE  43           HD2      PHE  43   8.980   6.315   8.158
  240    HE1  PHE  43           HE1      PHE  43   5.244   8.958   6.245
  241    HE2  PHE  43           HE2      PHE  43   7.764   7.950   9.574
  242    HZ   PHE  43           HZ       PHE  43   5.894   9.270   8.616
  243    H    LYS  44           H        LYS  44  10.320   4.083   4.340
  244    HA   LYS  44           HA       LYS  44   9.751   3.912   1.423
  245   1HB   LYS  44          2HB       LYS  44  12.370   3.002   2.642
  246   2HB   LYS  44          1HB       LYS  44  11.950   3.067   0.930
  247   1HG   LYS  44          2HG       LYS  44  11.923   5.461   0.933
  248   2HG   LYS  44          1HG       LYS  44  11.992   5.525   2.694
  249   1HD   LYS  44          2HD       LYS  44  14.235   4.244   2.443
  250   2HD   LYS  44          1HD       LYS  44  14.173   4.762   0.757
  251   1HE   LYS  44          2HE       LYS  44  13.539   7.013   2.408
  252   2HE   LYS  44          1HE       LYS  44  15.017   6.272   3.025
  253   1HZ   LYS  44          2HZ       LYS  44  15.361   6.216   0.338
  254   2HZ   LYS  44          1HZ       LYS  44  14.573   7.702   0.576
  255   3HZ   LYS  44          3HZ       LYS  44  16.024   7.373   1.389
  256    H    ARG  45           H        ARG  45   8.595   2.095   1.063
  257    HA   ARG  45           HA       ARG  45   7.536   0.043   1.567
  258   1HB   ARG  45          2HB       ARG  45   9.847  -0.475   0.535
  259   2HB   ARG  45          1HB       ARG  45  10.340  -0.892   2.176
  260   1HG   ARG  45          2HG       ARG  45   9.593  -2.955   1.386
  261   2HG   ARG  45          1HG       ARG  45   8.137  -2.331   2.164
  262   1HD   ARG  45          2HD       ARG  45   7.068  -1.933   0.164
  263   2HD   ARG  45          1HD       ARG  45   8.573  -1.600  -0.693
  264    HE   ARG  45           HE       ARG  45   7.451  -4.300  -0.163
  265   1HH1  ARG  45           HH2      ARG  45  10.439  -2.833  -0.617
  266   2HH1  ARG  45           HH2      ARG  45  10.890  -3.781  -1.997
  267   1HH2  ARG  45           HH1      ARG  45   7.778  -5.276  -2.320
  268   2HH2  ARG  45           HH1      ARG  45   9.384  -5.162  -2.960
  269    H    ARG  46           H        ARG  46   6.787   1.215   3.663
  270    HA   ARG  46           HA       ARG  46   7.533  -0.542   5.932
  271   1HB   ARG  46          2HB       ARG  46   8.855   1.718   5.895
  272   2HB   ARG  46          1HB       ARG  46   7.322   2.421   6.410
  273   1HG   ARG  46          2HG       ARG  46   7.290   1.189   8.419
  274   2HG   ARG  46          1HG       ARG  46   8.467   0.017   7.823
  275   1HD   ARG  46          2HD       ARG  46   9.884   2.355   7.626
  276   2HD   ARG  46          1HD       ARG  46   8.906   2.657   9.062
  277    HE   ARG  46           HE       ARG  46  10.221   0.042   9.061
  278   1HH1  ARG  46           HH2      ARG  46   9.491   2.179  11.271
  279   2HH1  ARG  46           HH2      ARG  46  11.083   2.515  11.865
  280   1HH2  ARG  46           HH1      ARG  46  12.689   0.994   9.195
  281   2HH2  ARG  46           HH1      ARG  46  12.894   1.844  10.691
  282    H    TYR  47           H        TYR  47   5.741  -1.089   7.108
  283    HA   TYR  47           HA       TYR  47   3.187   0.256   6.396
  284   1HB   TYR  47          2HB       TYR  47   2.712  -1.946   8.133
  285   2HB   TYR  47          1HB       TYR  47   2.341  -1.840   6.415
  286    HD1  TYR  47           HD1      TYR  47   4.906  -2.851   8.894
  287    HD2  TYR  47           HD2      TYR  47   3.692  -2.934   4.778
  288    HE1  TYR  47           HE1      TYR  47   6.658  -4.547   8.410
  289    HE2  TYR  47           HE2      TYR  47   5.441  -4.628   4.290
  290    HH   TYR  47           HH       TYR  47   7.983  -5.271   6.309
  291    H    ASN  48           H        ASN  48   5.393   1.090   8.376
  292    HA   ASN  48           HA       ASN  48   3.784   1.060  10.856
  293   1HB   ASN  48          2HB       ASN  48   6.616   2.065  10.445
  294   2HB   ASN  48          1HB       ASN  48   5.810   1.792  11.990
  295   1HD2  ASN  48           HD2      ASN  48   7.889  -1.218  10.643
  296   2HD2  ASN  48           HD2      ASN  48   8.216   0.436  10.449
  297    H    ILE  49           H        ILE  49   4.734   3.055   8.239
  298    HA   ILE  49           HA       ILE  49   4.370   5.594   9.597
  299    HB   ILE  49           HB       ILE  49   5.193   6.486   7.698
  300   1HG1  ILE  49          2HG1      ILE  49   2.859   6.504   6.786
  301   2HG1  ILE  49          1HG1      ILE  49   4.099   6.360   5.543
  302   1HG2  ILE  49          1HG2      ILE  49   6.383   4.288   7.675
  303   2HG2  ILE  49          3HG2      ILE  49   5.171   3.691   6.544
  304   3HG2  ILE  49          2HG2      ILE  49   6.229   5.021   6.080
  305   1HD1  ILE  49           HD1      ILE  49   3.442   3.730   6.420
  306   2HD1  ILE  49           HD1      ILE  49   1.933   4.583   6.093
  307   3HD1  ILE  49           HD1      ILE  49   3.162   4.451   4.834
  308    H    ARG  50           H        ARG  50   2.303   3.295   7.962
  309    HA   ARG  50           HA       ARG  50   0.020   4.906   7.494
  310   1HB   ARG  50          2HB       ARG  50   0.438   2.002   8.145
  311   2HB   ARG  50          1HB       ARG  50  -1.202   2.651   8.143
  312   1HG   ARG  50          2HG       ARG  50  -1.029   3.333   5.854
  313   2HG   ARG  50          1HG       ARG  50   0.711   3.042   5.833
  314   1HD   ARG  50          2HD       ARG  50  -0.424   1.188   4.723
  315   2HD   ARG  50          1HD       ARG  50   0.273   0.619   6.240
  316    HE   ARG  50           HE       ARG  50  -2.461   1.484   6.610
  317   1HH1  ARG  50           HH2      ARG  50  -0.609  -0.951   5.046
  318   2HH1  ARG  50           HH2      ARG  50  -1.694  -2.236   5.461
  319   1HH2  ARG  50           HH1      ARG  50  -3.808  -0.210   7.316
  320   2HH2  ARG  50           HH1      ARG  50  -3.505  -1.816   6.745
  321    H    SER  51           H        SER  51   0.945   3.073  10.418
  322    HA   SER  51           HA       SER  51  -1.240   3.994  12.024
  323   1HB   SER  51          2HB       SER  51   0.204   2.067  12.651
  324   2HB   SER  51          1HB       SER  51   1.549   3.176  12.903
  325    HG   SER  51           HG       SER  51   0.712   3.725  14.752
  326    H    HIS  52           H        HIS  52   1.982   5.272  11.345
  327    HA   HIS  52           HA       HIS  52   2.077   7.351  13.249
  328   1HB   HIS  52          2HB       HIS  52   4.070   7.444  12.130
  329   2HB   HIS  52          1HB       HIS  52   3.374   6.729  10.682
  330    HD1  HIS  52           HD1      HIS  52   4.943   9.736  11.705
  331    HD2  HIS  52           HD2      HIS  52   1.623   8.928   9.327
  332    HE1  HIS  52           HE1      HIS  52   4.487  11.838  10.363
  333    H    ILE  53           H        ILE  53   0.434   7.210  10.127
  334    HA   ILE  53           HA       ILE  53  -0.452   9.954  10.184
  335    HB   ILE  53           HB       ILE  53  -1.764   7.573   8.816
  336   1HG1  ILE  53          2HG1      ILE  53   0.448   9.415   7.859
  337   2HG1  ILE  53          1HG1      ILE  53   0.592   7.686   8.175
  338   1HG2  ILE  53          2HG2      ILE  53  -2.908   9.912   9.038
  339   2HG2  ILE  53          1HG2      ILE  53  -1.729  10.405   7.822
  340   3HG2  ILE  53          3HG2      ILE  53  -2.876   9.117   7.464
  341   1HD1  ILE  53           HD1      ILE  53  -1.539   8.548   6.273
  342   2HD1  ILE  53           HD1      ILE  53   0.128   8.639   5.710
  343   3HD1  ILE  53           HD1      ILE  53  -0.535   7.098   6.255
  344    H    GLN  54           H        GLN  54  -2.283   6.943  10.691
  345    HA   GLN  54           HA       GLN  54  -4.650   7.946  11.667
  346   1HB   GLN  54          2HB       GLN  54  -3.189   5.454  11.951
  347   2HB   GLN  54          1HB       GLN  54  -4.095   5.826  13.418
  348   1HG   GLN  54          2HG       GLN  54  -6.073   5.409  12.414
  349   2HG   GLN  54          1HG       GLN  54  -5.641   6.377  11.005
  350   1HE2  GLN  54          2HE2      GLN  54  -3.925   3.468   9.477
  351   2HE2  GLN  54          1HE2      GLN  54  -3.522   5.069   9.871
  352    H    THR  55           H        THR  55  -1.544   7.964  13.358
  353    HA   THR  55           HA       THR  55  -2.876   8.733  15.852
  354    HB   THR  55           HB       THR  55  -0.514   7.511  15.437
  355    HG1  THR  55           HG1      THR  55  -1.694   8.014  17.426
  356   1HG2  THR  55          2HG2      THR  55   0.301   9.775  14.419
  357   2HG2  THR  55          1HG2      THR  55   0.412  10.296  16.099
  358   3HG2  THR  55          3HG2      THR  55   1.358   8.917  15.538
  359    H    HIS  56           H        HIS  56  -1.053  10.366  13.292
  360    HA   HIS  56           HA       HIS  56  -1.702  12.920  14.613
  361   1HB   HIS  56          2HB       HIS  56   0.186  13.760  13.724
  362   2HB   HIS  56          1HB       HIS  56   0.631  12.081  13.556
  363    HD1  HIS  56           HD1      HIS  56  -0.911  14.887  11.466
  364    HD2  HIS  56           HD2      HIS  56   1.238  11.357  11.009
  365    HE1  HIS  56           HE1      HIS  56  -0.026  14.880   9.087
  366    H    LEU  57           H        LEU  57  -3.492  11.052  13.043
  367    HA   LEU  57           HA       LEU  57  -4.628  13.164  11.287
  368   1HB   LEU  57          2HB       LEU  57  -3.900  10.410  10.573
  369   2HB   LEU  57          1HB       LEU  57  -5.566  10.819  10.174
  370    HG   LEU  57           HG       LEU  57  -4.588  12.992   9.186
  371   1HD1  LEU  57           HD1      LEU  57  -2.168  11.459   9.913
  372   2HD1  LEU  57           HD1      LEU  57  -2.157  12.138   8.285
  373   3HD1  LEU  57           HD1      LEU  57  -2.372  13.196   9.678
  374   1HD2  LEU  57           HD2      LEU  57  -4.633  10.245   8.110
  375   2HD2  LEU  57           HD2      LEU  57  -5.340  11.720   7.453
  376   3HD2  LEU  57           HD2      LEU  57  -3.631  11.370   7.193
  377    H    GLU  58           H        GLU  58  -5.101  10.634  13.667
  378    HA   GLU  58           HA       GLU  58  -8.033  10.815  13.482
  379   1HB   GLU  58          2HB       GLU  58  -7.082   8.651  14.047
  380   2HB   GLU  58          1HB       GLU  58  -6.198   9.354  15.402
  381   1HG   GLU  58          2HG       GLU  58  -8.866  10.126  15.802
  382   2HG   GLU  58          1HG       GLU  58  -8.950   8.439  15.297
  383    H    ASP  59           H        ASP  59  -5.853  11.149  16.300
  384    HA   ASP  59           HA       ASP  59  -6.867  13.817  16.909
  385   1HB   ASP  59          2HB       ASP  59  -8.349  11.601  17.859
  386   2HB   ASP  59          1HB       ASP  59  -7.452  12.224  19.244
  387    H    ARG  60           H        ARG  60  -4.268  12.744  16.506
  388    HA   ARG  60           HA       ARG  60  -2.167  12.522  17.554
  389   1HB   ARG  60          2HB       ARG  60  -3.521  14.684  19.192
  390   2HB   ARG  60          1HB       ARG  60  -1.803  14.299  19.311
  391   1HG   ARG  60          2HG       ARG  60  -1.348  15.047  17.143
  392   2HG   ARG  60          1HG       ARG  60  -3.023  14.858  16.622
  393   1HD   ARG  60          2HD       ARG  60  -2.089  16.909  18.650
  394   2HD   ARG  60          1HD       ARG  60  -2.358  17.252  16.941
  395    HE   ARG  60           HE       ARG  60  -4.468  16.650  18.935
  396   1HH1  ARG  60           HH2      ARG  60  -4.993  15.397  16.219
  397   2HH1  ARG  60           HH2      ARG  60  -5.910  16.643  15.441
  398   1HH2  ARG  60           HH1      ARG  60  -5.005  19.098  17.715
  399   2HH2  ARG  60           HH1      ARG  60  -5.917  18.738  16.287
   
  No H/Q in entry =         399
  Start of MODEL   18
    1   1H    THR  14          3H        THR  14 -14.021   1.019  15.875
    2   2H    THR  14          2H        THR  14 -12.918   1.085  17.166
    3   3H    THR  14          1H        THR  14 -13.503   2.521  16.471
    4    HA   THR  14           HA       THR  14 -11.260   2.104  15.718
    5    HB   THR  14           HB       THR  14 -12.122  -0.297  14.187
    6    HG1  THR  14           HG1      THR  14 -12.177  -1.590  15.877
    7   1HG2  THR  14          2HG2      THR  14  -9.631   0.649  15.616
    8   2HG2  THR  14          1HG2      THR  14  -9.765  -0.961  14.908
    9   3HG2  THR  14          3HG2      THR  14  -9.881   0.468  13.880
   10    H    LEU  15           H        LEU  15 -11.236   3.648  14.166
   11    HA   LEU  15           HA       LEU  15 -13.407   4.052  12.320
   12   1HB   LEU  15          2HB       LEU  15 -10.908   5.363  13.011
   13   2HB   LEU  15          1HB       LEU  15 -11.163   5.359  11.266
   14    HG   LEU  15           HG       LEU  15 -13.645   6.029  12.032
   15   1HD1  LEU  15           HD1      LEU  15 -12.195   6.132  14.449
   16   2HD1  LEU  15           HD1      LEU  15 -12.427   7.811  13.960
   17   3HD1  LEU  15           HD1      LEU  15 -13.821   6.750  14.159
   18   1HD2  LEU  15           HD2      LEU  15 -11.796   7.253  10.623
   19   2HD2  LEU  15           HD2      LEU  15 -13.126   8.192  11.299
   20   3HD2  LEU  15           HD2      LEU  15 -11.554   8.191  12.097
   21    HA   PRO  16           HA       PRO  16 -11.887   0.933   9.471
   22   1HB   PRO  16          2HB       PRO  16 -14.132   0.973   7.884
   23   2HB   PRO  16          1HB       PRO  16 -14.027   0.076   9.409
   24   1HG   PRO  16          2HG       PRO  16 -15.462   2.624   8.826
   25   2HG   PRO  16          1HG       PRO  16 -15.810   1.397  10.055
   26   1HD   PRO  16          2HD       PRO  16 -14.522   3.876  10.507
   27   2HD   PRO  16          1HD       PRO  16 -14.580   2.507  11.639
   28    H    ARG  17           H        ARG  17 -10.284   1.876   8.203
   29    HA   ARG  17           HA       ARG  17  -9.302   3.225   6.543
   30   1HB   ARG  17          2HB       ARG  17 -11.519   1.800   5.461
   31   2HB   ARG  17          1HB       ARG  17 -11.528   3.412   4.745
   32   1HG   ARG  17          2HG       ARG  17  -9.095   1.608   4.875
   33   2HG   ARG  17          1HG       ARG  17 -10.128   1.792   3.456
   34   1HD   ARG  17          2HD       ARG  17  -8.452   3.928   4.797
   35   2HD   ARG  17          1HD       ARG  17  -8.262   3.286   3.166
   36    HE   ARG  17           HE       ARG  17 -10.051   5.402   3.913
   37   1HH1  ARG  17           HH2      ARG  17  -9.445   2.800   1.758
   38   2HH1  ARG  17           HH2      ARG  17 -10.736   3.209   0.679
   39   1HH2  ARG  17           HH1      ARG  17 -11.883   5.841   2.625
   40   2HH2  ARG  17           HH1      ARG  17 -12.117   4.932   1.169
   41    H    GLY  18           H        GLY  18  -9.974   4.895   8.468
   42   1HA   GLY  18          2HA       GLY  18 -12.008   6.812   8.025
   43   2HA   GLY  18          1HA       GLY  18 -10.509   7.140   8.896
   44    H    SER  19           H        SER  19  -8.563   6.984   7.046
   45    HA   SER  19           HA       SER  19  -9.103   8.076   4.473
   46   1HB   SER  19          2HB       SER  19  -9.771   9.965   6.228
   47   2HB   SER  19          1HB       SER  19  -8.034  10.253   6.227
   48    HG   SER  19           HG       SER  19  -9.380   9.931   3.787
   49    H    ILE  20           H        ILE  20  -7.290   6.230   5.866
   50    HA   ILE  20           HA       ILE  20  -4.645   7.470   5.821
   51    HB   ILE  20           HB       ILE  20  -5.041   4.500   5.742
   52   1HG1  ILE  20          2HG1      ILE  20  -6.786   5.104   7.268
   53   2HG1  ILE  20          1HG1      ILE  20  -5.406   4.649   8.266
   54   1HG2  ILE  20          3HG2      ILE  20  -2.864   6.094   6.085
   55   2HG2  ILE  20          2HG2      ILE  20  -3.359   5.870   7.763
   56   3HG2  ILE  20          1HG2      ILE  20  -2.994   4.468   6.757
   57   1HD1  ILE  20           HD1      ILE  20  -4.811   7.201   8.131
   58   2HD1  ILE  20           HD1      ILE  20  -6.514   7.386   7.712
   59   3HD1  ILE  20           HD1      ILE  20  -6.060   6.661   9.254
   60    H    ASP  21           H        ASP  21  -6.606   5.483   3.675
   61    HA   ASP  21           HA       ASP  21  -4.490   4.951   1.775
   62   1HB   ASP  21          2HB       ASP  21  -7.437   4.601   1.887
   63   2HB   ASP  21          1HB       ASP  21  -6.735   4.732   0.274
   64    H    LYS  22           H        LYS  22  -6.524   7.676   2.418
   65    HA   LYS  22           HA       LYS  22  -6.017   8.855  -0.250
   66   1HB   LYS  22          2HB       LYS  22  -8.244   9.187   0.673
   67   2HB   LYS  22          1HB       LYS  22  -7.567   9.861   2.155
   68   1HG   LYS  22          2HG       LYS  22  -7.181  11.891   1.202
   69   2HG   LYS  22          1HG       LYS  22  -6.650  11.180  -0.323
   70   1HD   LYS  22          2HD       LYS  22  -8.777  12.459  -0.564
   71   2HD   LYS  22          1HD       LYS  22  -8.967  10.753  -0.972
   72   1HE   LYS  22          2HE       LYS  22  -9.403  11.308   1.875
   73   2HE   LYS  22          1HE       LYS  22 -10.544  12.145   0.822
   74   1HZ   LYS  22          3HZ       LYS  22 -10.269   9.582  -0.186
   75   2HZ   LYS  22          2HZ       LYS  22 -10.436   9.405   1.496
   76   3HZ   LYS  22          1HZ       LYS  22 -11.618  10.238   0.605
   77    H    TYR  23           H        TYR  23  -4.050   8.404   2.188
   78    HA   TYR  23           HA       TYR  23  -2.626  10.942   1.724
   79   1HB   TYR  23          2HB       TYR  23  -3.756  10.115   4.386
   80   2HB   TYR  23          1HB       TYR  23  -2.274  11.069   4.310
   81    HD1  TYR  23           HD2      TYR  23  -2.724  12.794   1.981
   82    HD2  TYR  23           HD1      TYR  23  -5.447  11.594   5.080
   83    HE1  TYR  23           HE2      TYR  23  -4.064  14.845   1.599
   84    HE2  TYR  23           HE1      TYR  23  -6.787  13.646   4.696
   85    HH   TYR  23           HH       TYR  23  -5.697  16.159   2.463
   86    H    VAL  24           H        VAL  24  -2.262   7.998   1.229
   87    HA   VAL  24           HA       VAL  24   0.386   7.752   2.595
   88    HB   VAL  24           HB       VAL  24  -1.621   5.544   2.047
   89   1HG1  VAL  24          2HG1      VAL  24   1.084   5.278   1.895
   90   2HG1  VAL  24          1HG1      VAL  24   0.833   5.025   3.623
   91   3HG1  VAL  24          3HG1      VAL  24   0.008   3.995   2.451
   92   1HG2  VAL  24          2HG2      VAL  24  -1.753   7.210   4.102
   93   2HG2  VAL  24          1HG2      VAL  24  -1.999   5.480   4.342
   94   3HG2  VAL  24          3HG2      VAL  24  -0.439   6.210   4.722
   95    H    LYS  25           H        LYS  25   1.549   8.458   0.770
   96    HA   LYS  25           HA       LYS  25   1.012   7.348  -1.876
   97   1HB   LYS  25          2HB       LYS  25   2.006   9.654  -1.384
   98   2HB   LYS  25          1HB       LYS  25   3.511   8.814  -1.002
   99   1HG   LYS  25          2HG       LYS  25   3.755   9.342  -3.284
  100   2HG   LYS  25          1HG       LYS  25   3.200   7.668  -3.313
  101   1HD   LYS  25          2HD       LYS  25   1.340   8.247  -4.440
  102   2HD   LYS  25          1HD       LYS  25   0.934   9.459  -3.223
  103   1HE   LYS  25          2HE       LYS  25   1.256  10.859  -5.026
  104   2HE   LYS  25          1HE       LYS  25   2.917  10.784  -4.436
  105   1HZ   LYS  25          1HZ       LYS  25   1.911   8.815  -6.390
  106   2HZ   LYS  25          3HZ       LYS  25   2.482  10.328  -6.901
  107   3HZ   LYS  25          2HZ       LYS  25   3.514   9.270  -6.064
  108    H    GLU  26           H        GLU  26   1.633   5.318  -2.424
  109    HA   GLU  26           HA       GLU  26   3.987   4.142  -1.010
  110   1HB   GLU  26          2HB       GLU  26   1.833   2.705  -2.589
  111   2HB   GLU  26          1HB       GLU  26   3.061   1.967  -1.560
  112   1HG   GLU  26          2HG       GLU  26   2.042   3.498   0.306
  113   2HG   GLU  26          1HG       GLU  26   0.640   3.561  -0.764
  114    H    MET  27           H        MET  27   5.820   4.277  -2.216
  115    HA   MET  27           HA       MET  27   5.575   4.281  -5.177
  116   1HB   MET  27          2HB       MET  27   8.002   4.856  -3.452
  117   2HB   MET  27          1HB       MET  27   7.863   5.130  -5.189
  118   1HG   MET  27          2HG       MET  27   5.934   6.410  -3.256
  119   2HG   MET  27          1HG       MET  27   7.490   7.156  -3.618
  120   1HE   MET  27          2HE       MET  27   4.192   6.273  -4.298
  121   2HE   MET  27          1HE       MET  27   3.654   7.285  -5.635
  122   3HE   MET  27          3HE       MET  27   4.238   5.645  -5.943
  123    HA   PRO  28           HA       PRO  28   6.929   0.075  -5.219
  124   1HB   PRO  28          2HB       PRO  28   7.461  -0.060  -7.918
  125   2HB   PRO  28          1HB       PRO  28   5.831  -0.152  -7.228
  126   1HG   PRO  28          2HG       PRO  28   7.155   2.134  -8.628
  127   2HG   PRO  28          1HG       PRO  28   5.436   1.712  -8.542
  128   1HD   PRO  28          2HD       PRO  28   6.675   3.732  -7.037
  129   2HD   PRO  28          1HD       PRO  28   5.105   2.991  -6.658
  130    H    ASP  29           H        ASP  29   8.827   2.807  -5.828
  131    HA   ASP  29           HA       ASP  29  11.285   1.313  -6.446
  132   1HB   ASP  29          2HB       ASP  29  12.349   3.584  -6.296
  133   2HB   ASP  29          1HB       ASP  29  11.041   3.504  -7.476
  134    H    LYS  30           H        LYS  30   9.543   1.357  -3.812
  135    HA   LYS  30           HA       LYS  30  10.096   0.750  -1.622
  136   1HB   LYS  30          2HB       LYS  30  12.910   1.632  -2.216
  137   2HB   LYS  30          1HB       LYS  30  12.375   0.531  -0.951
  138   1HG   LYS  30          2HG       LYS  30  12.283  -1.246  -2.373
  139   2HG   LYS  30          1HG       LYS  30  11.634  -0.276  -3.696
  140   1HD   LYS  30          2HD       LYS  30  13.934   0.734  -3.968
  141   2HD   LYS  30          1HD       LYS  30  14.524  -0.456  -2.808
  142   1HE   LYS  30          2HE       LYS  30  14.876  -1.711  -4.685
  143   2HE   LYS  30          1HE       LYS  30  13.162  -2.081  -4.502
  144   1HZ   LYS  30          1HZ       LYS  30  12.653  -0.215  -5.967
  145   2HZ   LYS  30          3HZ       LYS  30  14.309   0.094  -6.168
  146   3HZ   LYS  30          2HZ       LYS  30  13.642  -1.359  -6.742
  147    H    THR  31           H        THR  31   8.786   2.980  -1.830
  148    HA   THR  31           HA       THR  31  10.172   4.805   0.025
  149    HB   THR  31           HB       THR  31   8.841   6.110  -2.287
  150    HG1  THR  31           HG1      THR  31  11.249   6.028  -3.034
  151   1HG2  THR  31          1HG2      THR  31  10.359   6.877  -0.039
  152   2HG2  THR  31          3HG2      THR  31  11.389   7.162  -1.442
  153   3HG2  THR  31          2HG2      THR  31   9.797   7.914  -1.349
  154    H    PHE  32           H        PHE  32   8.571   6.686   0.565
  155    HA   PHE  32           HA       PHE  32   5.728   6.026   0.351
  156   1HB   PHE  32          2HB       PHE  32   7.318   5.274   2.713
  157   2HB   PHE  32          1HB       PHE  32   5.911   6.263   3.099
  158    HD1  PHE  32           HD1      PHE  32   7.037   3.123   1.478
  159    HD2  PHE  32           HD2      PHE  32   3.674   5.422   2.842
  160    HE1  PHE  32           HE1      PHE  32   5.564   1.151   1.171
  161    HE2  PHE  32           HE2      PHE  32   2.201   3.450   2.535
  162    HZ   PHE  32           HZ       PHE  32   3.147   1.315   1.700
  163    H    GLU  33           H        GLU  33   4.495   7.908   0.714
  164    HA   GLU  33           HA       GLU  33   5.890  10.233   1.931
  165   1HB   GLU  33          2HB       GLU  33   6.081  10.137  -0.662
  166   2HB   GLU  33          1HB       GLU  33   4.374  10.581  -0.646
  167   1HG   GLU  33          2HG       GLU  33   5.332  12.378   1.138
  168   2HG   GLU  33          1HG       GLU  33   6.752  12.188   0.109
  169    H    CYS  34           H        CYS  34   4.457  10.265   3.675
  170    HA   CYS  34           HA       CYS  34   1.659   9.895   3.620
  171   1HB   CYS  34          2HB       CYS  34   3.130  10.166   5.662
  172   2HB   CYS  34          1HB       CYS  34   3.147  11.898   5.343
  173    H    LEU  35           H        LEU  35   0.490  10.904   2.005
  174    HA   LEU  35           HA       LEU  35   1.093  13.557   1.049
  175   1HB   LEU  35          2HB       LEU  35  -1.443  11.936   0.713
  176   2HB   LEU  35          1HB       LEU  35  -0.970  13.333  -0.251
  177    HG   LEU  35           HG       LEU  35   1.052  11.179  -0.068
  178   1HD1  LEU  35           HD1      LEU  35  -1.624  10.457  -0.589
  179   2HD1  LEU  35           HD1      LEU  35  -0.833  10.524  -2.164
  180   3HD1  LEU  35           HD1      LEU  35  -0.184   9.486  -0.894
  181   1HD2  LEU  35           HD2      LEU  35   0.011  13.188  -2.018
  182   2HD2  LEU  35           HD2      LEU  35   1.677  12.801  -1.589
  183   3HD2  LEU  35           HD2      LEU  35   0.776  11.741  -2.675
  184    H    PHE  36           H        PHE  36  -0.190  12.732   3.994
  185    HA   PHE  36           HA       PHE  36  -2.483  14.351   4.286
  186   1HB   PHE  36          2HB       PHE  36  -1.680  12.913   6.095
  187   2HB   PHE  36          1HB       PHE  36  -0.230  13.902   6.266
  188    HD1  PHE  36           HD2      PHE  36  -0.538  16.398   6.840
  189    HD2  PHE  36           HD1      PHE  36  -3.656  13.474   7.243
  190    HE1  PHE  36           HE2      PHE  36  -1.742  17.897   8.404
  191    HE2  PHE  36           HE1      PHE  36  -4.861  14.974   8.802
  192    HZ   PHE  36           HZ       PHE  36  -3.908  17.188   9.383
  193    HA   PRO  37           HA       PRO  37  -0.801  18.365   3.578
  194   1HB   PRO  37          2HB       PRO  37  -2.963  19.805   4.489
  195   2HB   PRO  37          1HB       PRO  37  -2.924  18.995   2.913
  196   1HG   PRO  37          2HG       PRO  37  -4.363  18.192   5.400
  197   2HG   PRO  37          1HG       PRO  37  -4.758  17.835   3.710
  198   1HD   PRO  37          2HD       PRO  37  -3.532  16.053   5.535
  199   2HD   PRO  37          1HD       PRO  37  -3.622  15.843   3.773
  200    H    GLY  38           H        GLY  38   0.856  18.679   5.024
  201   1HA   GLY  38          2HA       GLY  38   1.338  20.336   6.900
  202   2HA   GLY  38          1HA       GLY  38   0.119  19.442   7.817
  203    H    CYS  39           H        CYS  39   1.154  16.956   6.309
  204    HA   CYS  39           HA       CYS  39   2.883  16.000   8.399
  205   1HB   CYS  39          2HB       CYS  39   1.427  14.620   6.802
  206   2HB   CYS  39          1HB       CYS  39   2.707  14.844   5.611
  207    H    THR  40           H        THR  40   5.152  15.179   7.951
  208    HA   THR  40           HA       THR  40   6.636  16.526   5.810
  209    HB   THR  40           HB       THR  40   7.251  17.175   8.710
  210    HG1  THR  40           HG1      THR  40   5.488  18.346   8.127
  211   1HG2  THR  40          1HG2      THR  40   8.549  17.795   6.072
  212   2HG2  THR  40          3HG2      THR  40   8.700  18.929   7.415
  213   3HG2  THR  40          2HG2      THR  40   9.295  17.277   7.583
  214    H    LYS  41           H        LYS  41   6.136  13.766   6.687
  215    HA   LYS  41           HA       LYS  41   8.982  12.970   7.091
  216   1HB   LYS  41          2HB       LYS  41   6.767  12.526   8.912
  217   2HB   LYS  41          1HB       LYS  41   7.441  10.993   8.360
  218   1HG   LYS  41          2HG       LYS  41   9.463  11.357   9.376
  219   2HG   LYS  41          1HG       LYS  41   9.402  13.099   9.106
  220   1HD   LYS  41          2HD       LYS  41   9.176  12.708  11.483
  221   2HD   LYS  41          1HD       LYS  41   7.609  13.235  10.868
  222   1HE   LYS  41          2HE       LYS  41   6.734  11.371  11.787
  223   2HE   LYS  41          1HE       LYS  41   7.588  10.456  10.545
  224   1HZ   LYS  41          1HZ       LYS  41   9.574  10.680  12.149
  225   2HZ   LYS  41          3HZ       LYS  41   8.394  11.010  13.323
  226   3HZ   LYS  41          2HZ       LYS  41   8.369   9.530  12.489
  227    H    THR  42           H        THR  42   9.611  11.310   5.762
  228    HA   THR  42           HA       THR  42   7.464   9.899   4.224
  229    HB   THR  42           HB       THR  42   8.703  10.072   2.253
  230    HG1  THR  42           HG1      THR  42  10.927  10.517   2.271
  231   1HG2  THR  42          2HG2      THR  42   8.148  12.378   3.606
  232   2HG2  THR  42          1HG2      THR  42   9.870  12.578   3.285
  233   3HG2  THR  42          3HG2      THR  42   8.748  12.323   1.949
  234    H    PHE  43           H        PHE  43   7.912   7.655   3.741
  235    HA   PHE  43           HA       PHE  43  10.225   6.508   5.247
  236   1HB   PHE  43          2HB       PHE  43   7.645   5.002   5.128
  237   2HB   PHE  43          1HB       PHE  43   8.903   4.969   6.363
  238    HD1  PHE  43           HD1      PHE  43   6.354   7.279   4.862
  239    HD2  PHE  43           HD2      PHE  43   8.599   6.167   8.352
  240    HE1  PHE  43           HE1      PHE  43   5.092   8.941   6.203
  241    HE2  PHE  43           HE2      PHE  43   7.336   7.827   9.692
  242    HZ   PHE  43           HZ       PHE  43   5.583   9.215   8.618
  243    H    LYS  44           H        LYS  44   9.915   3.866   4.617
  244    HA   LYS  44           HA       LYS  44  10.018   3.883   1.627
  245   1HB   LYS  44          2HB       LYS  44  11.791   2.714   3.696
  246   2HB   LYS  44          1HB       LYS  44  11.449   1.674   2.312
  247   1HG   LYS  44          2HG       LYS  44  12.681   2.952   0.904
  248   2HG   LYS  44          1HG       LYS  44  12.039   4.455   1.568
  249   1HD   LYS  44          2HD       LYS  44  14.205   2.744   2.827
  250   2HD   LYS  44          1HD       LYS  44  14.455   4.283   2.005
  251   1HE   LYS  44          2HE       LYS  44  12.566   5.043   3.773
  252   2HE   LYS  44          1HE       LYS  44  13.313   3.737   4.696
  253   1HZ   LYS  44          2HZ       LYS  44  15.314   5.300   3.476
  254   2HZ   LYS  44          1HZ       LYS  44  14.264   6.321   4.338
  255   3HZ   LYS  44          3HZ       LYS  44  15.035   5.034   5.131
  256    H    ARG  45           H        ARG  45  10.032   1.165   1.161
  257    HA   ARG  45           HA       ARG  45   7.326   0.433   1.221
  258   1HB   ARG  45          2HB       ARG  45   9.843  -0.861   0.593
  259   2HB   ARG  45          1HB       ARG  45   8.752  -1.988   1.399
  260   1HG   ARG  45          2HG       ARG  45   7.011  -1.574  -0.220
  261   2HG   ARG  45          1HG       ARG  45   7.931  -0.254  -0.946
  262   1HD   ARG  45          2HD       ARG  45   8.616  -1.866  -2.407
  263   2HD   ARG  45          1HD       ARG  45   9.742  -2.283  -1.117
  264    HE   ARG  45           HE       ARG  45   8.588  -4.322  -0.987
  265   1HH1  ARG  45           HH2      ARG  45   6.867  -2.753  -3.274
  266   2HH1  ARG  45           HH2      ARG  45   5.299  -3.318  -2.801
  267   1HH2  ARG  45           HH1      ARG  45   6.396  -4.641   0.213
  268   2HH2  ARG  45           HH1      ARG  45   5.033  -4.389  -0.826
  269    H    ARG  46           H        ARG  46   6.151   0.413   3.100
  270    HA   ARG  46           HA       ARG  46   6.623  -1.630   5.070
  271   1HB   ARG  46          2HB       ARG  46   7.943   0.919   5.482
  272   2HB   ARG  46          1HB       ARG  46   6.771   0.612   6.766
  273   1HG   ARG  46          2HG       ARG  46   7.958  -1.853   6.479
  274   2HG   ARG  46          1HG       ARG  46   9.309  -0.759   6.177
  275   1HD   ARG  46          2HD       ARG  46   7.497  -0.218   8.505
  276   2HD   ARG  46          1HD       ARG  46   8.719  -1.480   8.648
  277    HE   ARG  46           HE       ARG  46   9.351   1.381   8.048
  278   1HH1  ARG  46           HH2      ARG  46   9.656  -0.942  10.394
  279   2HH1  ARG  46           HH2      ARG  46  11.378  -0.839  10.549
  280   1HH2  ARG  46           HH1      ARG  46  11.775   1.179   7.759
  281   2HH2  ARG  46           HH1      ARG  46  12.578   0.362   9.058
  282    H    TYR  47           H        TYR  47   5.094  -1.168   7.052
  283    HA   TYR  47           HA       TYR  47   2.692   0.332   6.114
  284   1HB   TYR  47          2HB       TYR  47   1.828  -1.802   7.778
  285   2HB   TYR  47          1HB       TYR  47   1.496  -1.583   6.062
  286    HD1  TYR  47           HD2      TYR  47   3.188  -2.448   4.377
  287    HD2  TYR  47           HD1      TYR  47   3.289  -3.494   8.539
  288    HE1  TYR  47           HE2      TYR  47   4.617  -4.408   3.843
  289    HE2  TYR  47           HE1      TYR  47   4.720  -5.455   8.011
  290    HH   TYR  47           HH       TYR  47   6.474  -5.863   5.638
  291    H    ASN  48           H        ASN  48   4.918   0.930   8.039
  292    HA   ASN  48           HA       ASN  48   3.408   0.910  10.581
  293   1HB   ASN  48          2HB       ASN  48   6.303   1.613  10.002
  294   2HB   ASN  48          1HB       ASN  48   5.565   1.620  11.605
  295   1HD2  ASN  48           HD2      ASN  48   3.953  -0.746  11.356
  296   2HD2  ASN  48           HD2      ASN  48   4.991  -2.084  11.231
  297    H    ILE  49           H        ILE  49   4.411   2.942   8.002
  298    HA   ILE  49           HA       ILE  49   4.227   5.441   9.471
  299    HB   ILE  49           HB       ILE  49   5.077   6.359   7.600
  300   1HG1  ILE  49          2HG1      ILE  49   2.727   6.562   6.739
  301   2HG1  ILE  49          1HG1      ILE  49   3.939   6.411   5.467
  302   1HG2  ILE  49          1HG2      ILE  49   6.134   4.109   7.448
  303   2HG2  ILE  49          3HG2      ILE  49   4.857   3.622   6.332
  304   3HG2  ILE  49          2HG2      ILE  49   5.972   4.910   5.885
  305   1HD1  ILE  49           HD1      ILE  49   3.125   3.783   6.234
  306   2HD1  ILE  49           HD1      ILE  49   1.676   4.745   5.946
  307   3HD1  ILE  49           HD1      ILE  49   2.896   4.587   4.681
  308    H    ARG  50           H        ARG  50   1.998   3.350   7.763
  309    HA   ARG  50           HA       ARG  50  -0.181   5.128   7.424
  310   1HB   ARG  50          2HB       ARG  50   0.152   2.194   7.712
  311   2HB   ARG  50          1HB       ARG  50  -1.445   2.816   8.128
  312   1HG   ARG  50          2HG       ARG  50  -1.947   3.060   5.951
  313   2HG   ARG  50          1HG       ARG  50  -0.545   4.107   5.726
  314   1HD   ARG  50          2HD       ARG  50   0.087   2.403   4.317
  315   2HD   ARG  50          1HD       ARG  50   0.722   1.739   5.823
  316    HE   ARG  50           HE       ARG  50  -1.268   0.486   4.283
  317   1HH1  ARG  50           HH1      ARG  50  -3.382   1.303   5.970
  318   2HH1  ARG  50           HH1      ARG  50  -3.294   0.267   7.355
  319   1HH2  ARG  50           HH2      ARG  50  -0.031  -0.728   6.734
  320   2HH2  ARG  50           HH2      ARG  50  -1.396  -0.882   7.788
  321    H    SER  51           H        SER  51   0.834   3.214  10.244
  322    HA   SER  51           HA       SER  51  -1.303   4.083  11.960
  323   1HB   SER  51          2HB       SER  51   0.725   2.252  12.193
  324   2HB   SER  51          1HB       SER  51   1.310   3.548  13.233
  325    HG   SER  51           HG       SER  51  -0.086   2.000  14.285
  326    H    HIS  52           H        HIS  52   1.961   5.289  11.291
  327    HA   HIS  52           HA       HIS  52   2.127   7.334  13.206
  328   1HB   HIS  52          2HB       HIS  52   4.087   7.500  12.052
  329   2HB   HIS  52          1HB       HIS  52   3.388   6.720  10.638
  330    HD1  HIS  52           HD1      HIS  52   4.772   9.868  11.665
  331    HD2  HIS  52           HD2      HIS  52   1.668   8.752   9.131
  332    HE1  HIS  52           HE1      HIS  52   4.213  11.909  10.269
  333    H    ILE  53           H        ILE  53   0.475   7.356  10.074
  334    HA   ILE  53           HA       ILE  53  -0.394  10.085  10.197
  335    HB   ILE  53           HB       ILE  53  -1.753   7.697   8.881
  336   1HG1  ILE  53          2HG1      ILE  53   0.404   9.599   7.947
  337   2HG1  ILE  53          1HG1      ILE  53   0.449   7.838   7.974
  338   1HG2  ILE  53          1HG2      ILE  53  -3.147   9.756   9.174
  339   2HG2  ILE  53          3HG2      ILE  53  -1.950  10.647   8.235
  340   3HG2  ILE  53          2HG2      ILE  53  -2.859   9.336   7.485
  341   1HD1  ILE  53           HD1      ILE  53  -1.617   8.020   6.371
  342   2HD1  ILE  53           HD1      ILE  53  -1.028   9.658   6.088
  343   3HD1  ILE  53           HD1      ILE  53   0.001   8.275   5.718
  344    H    GLN  54           H        GLN  54  -2.272   7.113  10.790
  345    HA   GLN  54           HA       GLN  54  -4.584   8.125  11.852
  346   1HB   GLN  54          2HB       GLN  54  -2.985   5.698  12.410
  347   2HB   GLN  54          1HB       GLN  54  -4.189   6.115  13.627
  348   1HG   GLN  54          2HG       GLN  54  -5.916   5.570  12.265
  349   2HG   GLN  54          1HG       GLN  54  -5.176   6.358  10.871
  350   1HE2  GLN  54          2HE2      GLN  54  -3.419   3.393   9.823
  351   2HE2  GLN  54          1HE2      GLN  54  -3.317   5.087   9.819
  352    H    THR  55           H        THR  55  -1.409   8.195  13.364
  353    HA   THR  55           HA       THR  55  -2.484   9.035  15.940
  354    HB   THR  55           HB       THR  55   0.301   9.784  15.347
  355    HG1  THR  55           HG1      THR  55   1.025   7.769  14.959
  356   1HG2  THR  55          2HG2      THR  55  -0.991   7.954  17.390
  357   2HG2  THR  55          1HG2      THR  55   0.681   8.515  17.429
  358   3HG2  THR  55          3HG2      THR  55  -0.641   9.667  17.618
  359    H    HIS  56           H        HIS  56  -0.800  10.702  13.269
  360    HA   HIS  56           HA       HIS  56  -1.609  13.248  14.489
  361   1HB   HIS  56          2HB       HIS  56   0.079  14.231  13.333
  362   2HB   HIS  56          1HB       HIS  56   0.710  12.603  13.386
  363    HD1  HIS  56           HD1      HIS  56  -1.164  14.918  10.996
  364    HD2  HIS  56           HD2      HIS  56   1.277  11.553  10.937
  365    HE1  HIS  56           HE1      HIS  56  -0.358  14.644   8.603
  366    H    LEU  57           H        LEU  57  -3.385  11.215  13.141
  367    HA   LEU  57           HA       LEU  57  -4.714  13.131  11.292
  368   1HB   LEU  57          2HB       LEU  57  -4.054  10.302  10.914
  369   2HB   LEU  57          1HB       LEU  57  -5.767  10.634  10.673
  370    HG   LEU  57           HG       LEU  57  -4.456  10.900   8.575
  371   1HD1  LEU  57           HD1      LEU  57  -6.518  12.217   8.949
  372   2HD1  LEU  57           HD1      LEU  57  -5.559  13.495   9.694
  373   3HD1  LEU  57           HD1      LEU  57  -5.347  13.115   7.985
  374   1HD2  LEU  57           HD2      LEU  57  -2.466  11.848  10.069
  375   2HD2  LEU  57           HD2      LEU  57  -2.662  12.359   8.392
  376   3HD2  LEU  57           HD2      LEU  57  -3.235  13.392   9.701
  377    H    GLU  58           H        GLU  58  -4.961  10.905  13.993
  378    HA   GLU  58           HA       GLU  58  -7.891  11.249  14.136
  379   1HB   GLU  58          2HB       GLU  58  -5.861   9.533  15.485
  380   2HB   GLU  58          1HB       GLU  58  -7.316   9.927  16.399
  381   1HG   GLU  58          2HG       GLU  58  -7.766   9.117  13.586
  382   2HG   GLU  58          1HG       GLU  58  -7.166   7.849  14.654
  383    H    ASP  59           H        ASP  59  -5.796  11.251  16.962
  384    HA   ASP  59           HA       ASP  59  -5.526  12.836  18.671
  385   1HB   ASP  59          2HB       ASP  59  -4.930  14.212  16.490
  386   2HB   ASP  59          1HB       ASP  59  -6.458  15.018  16.839
  387    H    ARG  60           H        ARG  60  -7.362  11.991  19.817
  388    HA   ARG  60           HA       ARG  60  -9.456  12.170  20.860
  389   1HB   ARG  60          2HB       ARG  60  -8.495  14.563  21.109
  390   2HB   ARG  60          1HB       ARG  60  -9.592  14.990  19.796
  391   1HG   ARG  60          2HG       ARG  60 -11.202  15.228  21.357
  392   2HG   ARG  60          1HG       ARG  60 -11.161  13.474  21.545
  393   1HD   ARG  60          2HD       ARG  60  -9.477  15.471  23.088
  394   2HD   ARG  60          1HD       ARG  60 -10.844  14.554  23.724
  395    HE   ARG  60           HE       ARG  60  -8.222  13.369  22.932
  396   1HH1  ARG  60           HH2      ARG  60 -11.270  12.195  23.206
  397   2HH1  ARG  60           HH2      ARG  60 -10.982  11.166  24.568
  398   1HH2  ARG  60           HH1      ARG  60  -7.848  12.487  25.242
  399   2HH2  ARG  60           HH1      ARG  60  -9.044  11.331  25.721
   
  No H/Q in entry =         399
  Start of MODEL   19
    1   1H    THR  14          3H        THR  14 -12.552  -3.899  11.578
    2   2H    THR  14          2H        THR  14 -12.454  -4.793  10.136
    3   3H    THR  14          1H        THR  14 -11.052  -4.486  11.046
    4    HA   THR  14           HA       THR  14 -10.709  -2.773   9.685
    5    HB   THR  14           HB       THR  14 -12.356  -3.682   8.095
    6    HG1  THR  14           HG1      THR  14 -11.932  -1.836   7.211
    7   1HG2  THR  14          3HG2      THR  14 -14.172  -2.995  10.202
    8   2HG2  THR  14          2HG2      THR  14 -14.647  -2.124   8.744
    9   3HG2  THR  14          1HG2      THR  14 -14.504  -3.882   8.715
   10    H    LEU  15           H        LEU  15 -11.011  -2.306  12.360
   11    HA   LEU  15           HA       LEU  15 -12.979  -0.253  12.916
   12   1HB   LEU  15          2HB       LEU  15 -11.120  -1.790  14.416
   13   2HB   LEU  15          1HB       LEU  15 -10.754  -0.089  14.712
   14    HG   LEU  15           HG       LEU  15 -13.610  -0.465  14.709
   15   1HD1  LEU  15           HD1      LEU  15 -12.800  -2.824  15.354
   16   2HD1  LEU  15           HD1      LEU  15 -12.196  -2.081  16.835
   17   3HD1  LEU  15           HD1      LEU  15 -13.920  -2.034  16.465
   18   1HD2  LEU  15           HD2      LEU  15 -12.315   1.370  15.788
   19   2HD2  LEU  15           HD2      LEU  15 -13.391   0.558  16.927
   20   3HD2  LEU  15           HD2      LEU  15 -11.662   0.204  16.939
   21    HA   PRO  16           HA       PRO  16  -9.291   2.687  12.396
   22   1HB   PRO  16          2HB       PRO  16  -6.935   1.625  11.489
   23   2HB   PRO  16          1HB       PRO  16  -7.363   1.735  13.204
   24   1HG   PRO  16          2HG       PRO  16  -7.305  -0.662  11.436
   25   2HG   PRO  16          1HG       PRO  16  -7.116  -0.559  13.195
   26   1HD   PRO  16          2HD       PRO  16  -9.460  -1.343  11.806
   27   2HD   PRO  16          1HD       PRO  16  -9.344  -0.957  13.537
   28    H    ARG  17           H        ARG  17 -10.444   3.483  10.577
   29    HA   ARG  17           HA       ARG  17  -9.141   3.286   8.016
   30   1HB   ARG  17          2HB       ARG  17 -11.415   2.339   6.978
   31   2HB   ARG  17          1HB       ARG  17 -10.121   1.259   7.497
   32   1HG   ARG  17          2HG       ARG  17 -12.259   0.482   8.405
   33   2HG   ARG  17          1HG       ARG  17 -11.224   1.045   9.717
   34   1HD   ARG  17          2HD       ARG  17 -13.475   1.930  10.038
   35   2HD   ARG  17          1HD       ARG  17 -12.385   3.254   9.632
   36    HE   ARG  17           HE       ARG  17 -13.735   3.611   7.744
   37   1HH1  ARG  17           HH1      ARG  17 -13.240   1.663   5.885
   38   2HH1  ARG  17           HH1      ARG  17 -14.598   0.589   5.891
   39   1HH2  ARG  17           HH2      ARG  17 -15.753   1.644   8.986
   40   2HH2  ARG  17           HH2      ARG  17 -16.021   0.579   7.647
   41    H    GLY  18           H        GLY  18  -9.848   5.456   9.584
   42   1HA   GLY  18          2HA       GLY  18 -12.385   6.555   8.569
   43   2HA   GLY  18          1HA       GLY  18 -11.289   7.352   9.698
   44    H    SER  19           H        SER  19  -8.894   7.196   8.225
   45    HA   SER  19           HA       SER  19  -9.267   8.169   5.520
   46   1HB   SER  19          2HB       SER  19  -8.371  10.492   6.052
   47   2HB   SER  19          1HB       SER  19 -10.034  10.193   6.551
   48    HG   SER  19           HG       SER  19  -8.690  11.172   8.184
   49    H    ILE  20           H        ILE  20  -7.658   6.156   6.499
   50    HA   ILE  20           HA       ILE  20  -4.937   7.272   6.791
   51    HB   ILE  20           HB       ILE  20  -5.520   4.334   6.621
   52   1HG1  ILE  20          2HG1      ILE  20  -7.261   5.054   8.113
   53   2HG1  ILE  20          1HG1      ILE  20  -5.953   4.446   9.129
   54   1HG2  ILE  20          2HG2      ILE  20  -3.205   5.458   6.897
   55   2HG2  ILE  20          1HG2      ILE  20  -3.731   5.826   8.540
   56   3HG2  ILE  20          3HG2      ILE  20  -3.613   4.149   8.007
   57   1HD1  ILE  20           HD1      ILE  20  -5.110   6.868   9.219
   58   2HD1  ILE  20           HD1      ILE  20  -6.679   7.322   8.555
   59   3HD1  ILE  20           HD1      ILE  20  -6.585   6.512  10.118
   60    H    ASP  21           H        ASP  21  -6.851   5.291   4.576
   61    HA   ASP  21           HA       ASP  21  -4.626   5.014   2.692
   62   1HB   ASP  21          2HB       ASP  21  -7.348   3.949   2.980
   63   2HB   ASP  21          1HB       ASP  21  -6.909   4.310   1.310
   64    H    LYS  22           H        LYS  22  -6.284   7.642   3.506
   65    HA   LYS  22           HA       LYS  22  -6.718   8.578   0.705
   66   1HB   LYS  22          2HB       LYS  22  -8.106  10.325   1.644
   67   2HB   LYS  22          1HB       LYS  22  -8.608   8.793   2.361
   68   1HG   LYS  22          2HG       LYS  22  -8.163   9.594   4.414
   69   2HG   LYS  22          1HG       LYS  22  -6.485   9.875   3.948
   70   1HD   LYS  22          2HD       LYS  22  -7.366  12.002   4.620
   71   2HD   LYS  22          1HD       LYS  22  -7.270  12.033   2.859
   72   1HE   LYS  22          2HE       LYS  22  -9.638  11.539   2.664
   73   2HE   LYS  22          1HE       LYS  22  -9.772  11.309   4.408
   74   1HZ   LYS  22          1HZ       LYS  22  -8.710  13.746   4.302
   75   2HZ   LYS  22          3HZ       LYS  22  -9.614  13.764   2.868
   76   3HZ   LYS  22          2HZ       LYS  22 -10.383  13.455   4.352
   77    H    TYR  23           H        TYR  23  -4.150   8.393   2.496
   78    HA   TYR  23           HA       TYR  23  -3.007  10.883   1.496
   79   1HB   TYR  23          2HB       TYR  23  -3.724  10.551   4.379
   80   2HB   TYR  23          1HB       TYR  23  -2.199  11.349   3.993
   81    HD1  TYR  23           HD2      TYR  23  -2.522  12.999   1.788
   82    HD2  TYR  23           HD1      TYR  23  -5.496  12.015   4.727
   83    HE1  TYR  23           HE2      TYR  23  -3.747  15.085   1.246
   84    HE2  TYR  23           HE1      TYR  23  -6.722  14.102   4.184
   85    HH   TYR  23           HH       TYR  23  -6.770  15.934   2.944
   86    H    VAL  24           H        VAL  24  -2.424   8.120   1.083
   87    HA   VAL  24           HA       VAL  24   0.304   7.996   2.303
   88    HB   VAL  24           HB       VAL  24  -1.704   5.765   1.913
   89   1HG1  VAL  24          2HG1      VAL  24   1.284   5.703   2.011
   90   2HG1  VAL  24          1HG1      VAL  24   0.406   4.447   2.883
   91   3HG1  VAL  24          3HG1      VAL  24   0.169   4.645   1.146
   92   1HG2  VAL  24          1HG2      VAL  24  -0.505   7.243   4.166
   93   2HG2  VAL  24          3HG2      VAL  24  -2.018   6.342   4.092
   94   3HG2  VAL  24          2HG2      VAL  24  -0.498   5.492   4.366
   95    H    LYS  25           H        LYS  25   1.692   8.362   0.641
   96    HA   LYS  25           HA       LYS  25   0.963   7.348  -2.066
   97   1HB   LYS  25          2HB       LYS  25   2.072   9.786  -1.170
   98   2HB   LYS  25          1HB       LYS  25   3.373   8.940  -2.009
   99   1HG   LYS  25          2HG       LYS  25   0.592   9.314  -3.155
  100   2HG   LYS  25          1HG       LYS  25   1.956  10.372  -3.520
  101   1HD   LYS  25          2HD       LYS  25   2.184   7.390  -3.886
  102   2HD   LYS  25          1HD       LYS  25   1.471   8.400  -5.144
  103   1HE   LYS  25          2HE       LYS  25   3.963   9.516  -4.096
  104   2HE   LYS  25          1HE       LYS  25   4.186   7.916  -4.803
  105   1HZ   LYS  25          2HZ       LYS  25   2.834   8.794  -6.733
  106   2HZ   LYS  25          1HZ       LYS  25   3.078  10.343  -6.080
  107   3HZ   LYS  25          3HZ       LYS  25   4.408   9.411  -6.569
  108    H    GLU  26           H        GLU  26   1.589   5.134  -1.595
  109    HA   GLU  26           HA       GLU  26   4.269   4.505  -0.677
  110   1HB   GLU  26          2HB       GLU  26   3.689   2.184  -1.364
  111   2HB   GLU  26          1HB       GLU  26   2.431   2.910  -0.362
  112   1HG   GLU  26          2HG       GLU  26   0.985   2.361  -2.007
  113   2HG   GLU  26          1HG       GLU  26   1.724   3.658  -2.947
  114    H    MET  27           H        MET  27   6.095   4.559  -1.899
  115    HA   MET  27           HA       MET  27   5.810   4.905  -4.824
  116   1HB   MET  27          2HB       MET  27   8.437   4.954  -3.361
  117   2HB   MET  27          1HB       MET  27   7.951   5.846  -4.803
  118   1HG   MET  27          2HG       MET  27   6.144   6.843  -3.088
  119   2HG   MET  27          1HG       MET  27   7.418   6.449  -1.934
  120   1HE   MET  27          1HE       MET  27   6.534   7.656  -5.206
  121   2HE   MET  27          3HE       MET  27   7.095   9.332  -5.289
  122   3HE   MET  27          2HE       MET  27   8.125   8.026  -5.869
  123    HA   PRO  28           HA       PRO  28   6.824   0.662  -5.484
  124   1HB   PRO  28          2HB       PRO  28   7.345   0.875  -8.181
  125   2HB   PRO  28          1HB       PRO  28   5.714   0.810  -7.492
  126   1HG   PRO  28          2HG       PRO  28   7.216   3.168  -8.555
  127   2HG   PRO  28          1HG       PRO  28   5.470   2.869  -8.528
  128   1HD   PRO  28          2HD       PRO  28   6.828   4.555  -6.752
  129   2HD   PRO  28          1HD       PRO  28   5.218   3.860  -6.465
  130    H    ASP  29           H        ASP  29   8.945   3.288  -5.723
  131    HA   ASP  29           HA       ASP  29  11.262   1.633  -6.503
  132   1HB   ASP  29          2HB       ASP  29  12.534   3.767  -6.284
  133   2HB   ASP  29          1HB       ASP  29  11.174   3.916  -7.397
  134    H    LYS  30           H        LYS  30   9.585   1.413  -3.946
  135    HA   LYS  30           HA       LYS  30  10.074   0.729  -1.767
  136   1HB   LYS  30          2HB       LYS  30  12.706   0.746  -3.049
  137   2HB   LYS  30          1HB       LYS  30  12.785   1.136  -1.331
  138   1HG   LYS  30          2HG       LYS  30  12.011  -0.933  -0.688
  139   2HG   LYS  30          1HG       LYS  30  11.026  -1.132  -2.139
  140   1HD   LYS  30          2HD       LYS  30  14.003  -1.062  -2.445
  141   2HD   LYS  30          1HD       LYS  30  13.261  -2.531  -1.811
  142   1HE   LYS  30          2HE       LYS  30  12.442  -1.162  -4.390
  143   2HE   LYS  30          1HE       LYS  30  13.488  -2.578  -4.293
  144   1HZ   LYS  30          2HZ       LYS  30  11.493  -3.467  -2.859
  145   2HZ   LYS  30          1HZ       LYS  30  10.616  -2.348  -3.788
  146   3HZ   LYS  30          3HZ       LYS  30  11.484  -3.588  -4.554
  147    H    THR  31           H        THR  31   8.923   2.982  -1.738
  148    HA   THR  31           HA       THR  31  10.364   4.590   0.246
  149    HB   THR  31           HB       THR  31   9.292   6.079  -2.117
  150    HG1  THR  31           HG1      THR  31  10.834   4.541  -2.868
  151   1HG2  THR  31          2HG2      THR  31  10.977   6.590   0.263
  152   2HG2  THR  31          1HG2      THR  31  11.461   7.419  -1.216
  153   3HG2  THR  31          3HG2      THR  31   9.841   7.658  -0.561
  154    H    PHE  32           H        PHE  32   8.782   6.638   0.689
  155    HA   PHE  32           HA       PHE  32   5.950   6.027   0.306
  156   1HB   PHE  32          2HB       PHE  32   7.370   5.178   2.729
  157   2HB   PHE  32          1HB       PHE  32   5.981   6.211   3.070
  158    HD1  PHE  32           HD2      PHE  32   3.712   5.559   2.339
  159    HD2  PHE  32           HD1      PHE  32   7.097   2.981   1.747
  160    HE1  PHE  32           HE2      PHE  32   2.185   3.657   1.891
  161    HE2  PHE  32           HE1      PHE  32   5.570   1.079   1.298
  162    HZ   PHE  32           HZ       PHE  32   3.113   1.418   1.370
  163    H    GLU  33           H        GLU  33   4.672   7.873   0.740
  164    HA   GLU  33           HA       GLU  33   6.036  10.188   2.008
  165   1HB   GLU  33          2HB       GLU  33   6.163  10.064  -0.641
  166   2HB   GLU  33          1HB       GLU  33   4.517  10.689  -0.519
  167   1HG   GLU  33          2HG       GLU  33   5.297  12.568   0.840
  168   2HG   GLU  33          1HG       GLU  33   6.942  11.929   0.814
  169    H    CYS  34           H        CYS  34   4.601  10.315   3.723
  170    HA   CYS  34           HA       CYS  34   1.809   9.856   3.661
  171   1HB   CYS  34          2HB       CYS  34   3.229  10.193   5.716
  172   2HB   CYS  34          1HB       CYS  34   3.262  11.915   5.350
  173    H    LEU  35           H        LEU  35   0.611  10.801   2.043
  174    HA   LEU  35           HA       LEU  35   1.163  13.385   0.932
  175   1HB   LEU  35          2HB       LEU  35  -1.375  11.733   0.836
  176   2HB   LEU  35          1HB       LEU  35  -1.026  13.123  -0.192
  177    HG   LEU  35           HG       LEU  35   1.196  11.283  -0.256
  178   1HD1  LEU  35           HD1      LEU  35  -1.513  10.148  -1.015
  179   2HD1  LEU  35           HD1      LEU  35   0.044   9.398  -1.367
  180   3HD1  LEU  35           HD1      LEU  35  -0.491   9.577   0.304
  181   1HD2  LEU  35           HD2      LEU  35  -0.450  12.905  -2.002
  182   2HD2  LEU  35           HD2      LEU  35   1.197  12.329  -2.254
  183   3HD2  LEU  35           HD2      LEU  35  -0.171  11.320  -2.724
  184    H    PHE  36           H        PHE  36  -0.055  12.739   3.981
  185    HA   PHE  36           HA       PHE  36  -2.263  14.472   4.239
  186   1HB   PHE  36          2HB       PHE  36  -1.503  13.103   6.113
  187   2HB   PHE  36          1HB       PHE  36   0.006  14.013   6.199
  188    HD1  PHE  36           HD2      PHE  36  -0.108  16.515   6.686
  189    HD2  PHE  36           HD1      PHE  36  -3.454  13.885   7.199
  190    HE1  PHE  36           HE2      PHE  36  -1.193  18.189   8.157
  191    HE2  PHE  36           HE1      PHE  36  -4.547  15.562   8.667
  192    HZ   PHE  36           HZ       PHE  36  -3.416  17.713   9.145
  193    HA   PRO  37           HA       PRO  37  -0.430  18.362   3.284
  194   1HB   PRO  37          2HB       PRO  37  -2.506  19.942   4.168
  195   2HB   PRO  37          1HB       PRO  37  -2.537  19.053   2.636
  196   1HG   PRO  37          2HG       PRO  37  -3.953  18.440   5.189
  197   2HG   PRO  37          1HG       PRO  37  -4.399  18.014   3.528
  198   1HD   PRO  37          2HD       PRO  37  -3.210  16.276   5.419
  199   2HD   PRO  37          1HD       PRO  37  -3.347  15.980   3.672
  200    H    GLY  38           H        GLY  38   1.278  18.680   4.669
  201   1HA   GLY  38          2HA       GLY  38   1.889  20.415   6.428
  202   2HA   GLY  38          1HA       GLY  38   0.646  19.649   7.426
  203    H    CYS  39           H        CYS  39   1.534  17.022   6.051
  204    HA   CYS  39           HA       CYS  39   3.249  16.112   8.172
  205   1HB   CYS  39          2HB       CYS  39   1.684  14.731   6.662
  206   2HB   CYS  39          1HB       CYS  39   2.987  14.781   5.475
  207    H    THR  40           H        THR  40   5.456  15.126   7.732
  208    HA   THR  40           HA       THR  40   6.975  16.271   5.498
  209    HB   THR  40           HB       THR  40   7.024  18.153   7.055
  210    HG1  THR  40           HG1      THR  40   9.211  18.330   7.162
  211   1HG2  THR  40          2HG2      THR  40   8.043  16.115   9.053
  212   2HG2  THR  40          1HG2      THR  40   7.969  17.855   9.329
  213   3HG2  THR  40          3HG2      THR  40   6.482  16.933   9.110
  214    H    LYS  41           H        LYS  41   6.295  13.618   6.786
  215    HA   LYS  41           HA       LYS  41   9.113  12.691   7.187
  216   1HB   LYS  41          2HB       LYS  41   6.588  12.023   8.652
  217   2HB   LYS  41          1HB       LYS  41   7.806  10.762   8.462
  218   1HG   LYS  41          2HG       LYS  41   9.490  12.132   9.527
  219   2HG   LYS  41          1HG       LYS  41   8.406  13.524   9.553
  220   1HD   LYS  41          2HD       LYS  41   8.532  12.361  11.760
  221   2HD   LYS  41          1HD       LYS  41   6.901  12.378  11.089
  222   1HE   LYS  41          2HE       LYS  41   6.850  10.122  10.852
  223   2HE   LYS  41          1HE       LYS  41   8.502  10.063  10.238
  224   1HZ   LYS  41          3HZ       LYS  41   8.586  10.815  12.932
  225   2HZ   LYS  41          2HZ       LYS  41   7.589   9.444  12.807
  226   3HZ   LYS  41          1HZ       LYS  41   9.182   9.396  12.219
  227    H    THR  42           H        THR  42   9.766  11.280   5.650
  228    HA   THR  42           HA       THR  42   7.659   9.838   4.088
  229    HB   THR  42           HB       THR  42   9.005   9.991   2.172
  230    HG1  THR  42           HG1      THR  42  11.187  10.403   2.262
  231   1HG2  THR  42          2HG2      THR  42   8.327  12.291   3.527
  232   2HG2  THR  42          1HG2      THR  42  10.040  12.545   3.187
  233   3HG2  THR  42          3HG2      THR  42   8.915  12.233   1.864
  234    H    PHE  43           H        PHE  43   7.901   7.603   3.825
  235    HA   PHE  43           HA       PHE  43  10.194   6.381   5.313
  236   1HB   PHE  43          2HB       PHE  43   7.571   4.963   4.952
  237   2HB   PHE  43          1HB       PHE  43   8.774   4.773   6.229
  238    HD1  PHE  43           HD1      PHE  43   6.361   7.263   4.812
  239    HD2  PHE  43           HD2      PHE  43   8.503   5.899   8.276
  240    HE1  PHE  43           HE1      PHE  43   5.130   8.896   6.213
  241    HE2  PHE  43           HE2      PHE  43   7.270   7.530   9.679
  242    HZ   PHE  43           HZ       PHE  43   5.585   9.028   8.647
  243    H    LYS  44           H        LYS  44   9.494   3.695   4.460
  244    HA   LYS  44           HA       LYS  44   9.408   3.653   1.550
  245   1HB   LYS  44          2HB       LYS  44  11.670   2.917   1.140
  246   2HB   LYS  44          1HB       LYS  44  11.761   4.425   2.049
  247   1HG   LYS  44          2HG       LYS  44  13.143   3.256   3.427
  248   2HG   LYS  44          1HG       LYS  44  11.645   2.586   4.075
  249   1HD   LYS  44          2HD       LYS  44  12.069   0.542   3.213
  250   2HD   LYS  44          1HD       LYS  44  12.517   1.214   1.645
  251   1HE   LYS  44          2HE       LYS  44  14.564   1.942   3.474
  252   2HE   LYS  44          1HE       LYS  44  14.239   0.226   3.717
  253   1HZ   LYS  44          2HZ       LYS  44  14.198   0.460   1.032
  254   2HZ   LYS  44          1HZ       LYS  44  15.412   1.571   1.458
  255   3HZ   LYS  44          3HZ       LYS  44  15.540  -0.050   1.943
  256    H    ARG  45           H        ARG  45   8.584   1.705   0.967
  257    HA   ARG  45           HA       ARG  45   7.631  -0.428   1.333
  258   1HB   ARG  45          2HB       ARG  45  10.478  -0.496   1.221
  259   2HB   ARG  45          1HB       ARG  45   9.965  -1.688   2.415
  260   1HG   ARG  45          2HG       ARG  45   8.743  -1.474  -0.347
  261   2HG   ARG  45          1HG       ARG  45  10.080  -2.557   0.039
  262   1HD   ARG  45          2HD       ARG  45   7.789  -2.700   1.901
  263   2HD   ARG  45          1HD       ARG  45   7.451  -3.253   0.261
  264    HE   ARG  45           HE       ARG  45   9.794  -4.546   0.822
  265   1HH1  ARG  45           HH2      ARG  45   6.555  -4.593   1.849
  266   2HH1  ARG  45           HH2      ARG  45   6.768  -5.888   2.979
  267   1HH2  ARG  45           HH1      ARG  45  10.211  -6.019   2.584
  268   2HH2  ARG  45           HH1      ARG  45   8.839  -6.694   3.398
  269    H    ARG  46           H        ARG  46   6.254   0.173   3.155
  270    HA   ARG  46           HA       ARG  46   6.558  -1.466   5.441
  271   1HB   ARG  46          2HB       ARG  46   8.346   0.590   5.631
  272   2HB   ARG  46          1HB       ARG  46   6.945   1.286   6.448
  273   1HG   ARG  46          2HG       ARG  46   6.856  -0.488   8.034
  274   2HG   ARG  46          1HG       ARG  46   7.959  -1.487   7.088
  275   1HD   ARG  46          2HD       ARG  46   8.736   1.172   8.316
  276   2HD   ARG  46          1HD       ARG  46   9.034  -0.388   9.085
  277    HE   ARG  46           HE       ARG  46  10.597   0.739   6.948
  278   1HH1  ARG  46           HH2      ARG  46  10.483  -1.807   9.026
  279   2HH1  ARG  46           HH2      ARG  46  11.130  -2.992   7.942
  280   1HH2  ARG  46           HH1      ARG  46  10.900  -0.948   5.149
  281   2HH2  ARG  46           HH1      ARG  46  11.367  -2.505   5.747
  282    H    TYR  47           H        TYR  47   4.645  -1.456   6.626
  283    HA   TYR  47           HA       TYR  47   2.597   0.522   5.746
  284   1HB   TYR  47          2HB       TYR  47   1.387  -1.583   7.226
  285   2HB   TYR  47          1HB       TYR  47   1.238  -1.263   5.499
  286    HD1  TYR  47           HD1      TYR  47   3.310  -3.005   8.057
  287    HD2  TYR  47           HD2      TYR  47   2.301  -2.644   3.900
  288    HE1  TYR  47           HE1      TYR  47   4.609  -5.063   7.562
  289    HE2  TYR  47           HE2      TYR  47   3.599  -4.700   3.402
  290    HH   TYR  47           HH       TYR  47   4.749  -6.788   5.880
  291    H    ASN  48           H        ASN  48   4.685   0.764   7.929
  292    HA   ASN  48           HA       ASN  48   2.970   0.784  10.325
  293   1HB   ASN  48          2HB       ASN  48   5.871   0.779   9.795
  294   2HB   ASN  48          1HB       ASN  48   5.382   1.836  11.120
  295   1HD2  ASN  48           HD2      ASN  48   5.234  -2.190  11.603
  296   2HD2  ASN  48           HD2      ASN  48   5.752  -1.498  10.143
  297    H    ILE  49           H        ILE  49   4.324   2.886   7.945
  298    HA   ILE  49           HA       ILE  49   4.127   5.344   9.420
  299    HB   ILE  49           HB       ILE  49   4.909   6.321   7.536
  300   1HG1  ILE  49          2HG1      ILE  49   2.553   6.368   6.627
  301   2HG1  ILE  49          1HG1      ILE  49   3.811   6.300   5.394
  302   1HG2  ILE  49          3HG2      ILE  49   6.045   4.089   7.467
  303   2HG2  ILE  49          2HG2      ILE  49   4.828   3.560   6.306
  304   3HG2  ILE  49          1HG2      ILE  49   5.923   4.874   5.893
  305   1HD1  ILE  49           HD1      ILE  49   3.056   3.636   6.243
  306   2HD1  ILE  49           HD1      ILE  49   1.652   4.540   5.678
  307   3HD1  ILE  49           HD1      ILE  49   3.048   4.333   4.623
  308    H    ARG  50           H        ARG  50   1.830   3.368   7.654
  309    HA   ARG  50           HA       ARG  50  -0.315   5.167   7.353
  310   1HB   ARG  50          2HB       ARG  50  -0.623   2.308   8.316
  311   2HB   ARG  50          1HB       ARG  50  -1.770   3.250   7.363
  312   1HG   ARG  50          2HG       ARG  50   0.176   3.418   5.633
  313   2HG   ARG  50          1HG       ARG  50   0.848   2.039   6.503
  314   1HD   ARG  50          2HD       ARG  50  -1.766   2.221   5.009
  315   2HD   ARG  50          1HD       ARG  50  -0.461   1.052   4.799
  316    HE   ARG  50           HE       ARG  50  -1.449   0.784   7.448
  317   1HH1  ARG  50           HH2      ARG  50  -3.819   1.228   5.377
  318   2HH1  ARG  50           HH2      ARG  50  -4.319  -0.420   5.189
  319   1HH2  ARG  50           HH1      ARG  50  -1.480  -1.729   6.692
  320   2HH2  ARG  50           HH1      ARG  50  -2.995  -2.094   5.935
  321    H    SER  51           H        SER  51   0.674   3.270  10.198
  322    HA   SER  51           HA       SER  51  -1.422   4.192  11.923
  323   1HB   SER  51          2HB       SER  51   0.287   2.260  12.286
  324   2HB   SER  51          1HB       SER  51   1.356   3.522  12.889
  325    HG   SER  51           HG       SER  51  -0.652   2.302  14.136
  326    H    HIS  52           H        HIS  52   1.887   5.349  11.317
  327    HA   HIS  52           HA       HIS  52   2.002   7.465  13.150
  328   1HB   HIS  52          2HB       HIS  52   3.988   7.545  12.017
  329   2HB   HIS  52          1HB       HIS  52   3.284   6.799  10.588
  330    HD1  HIS  52           HD1      HIS  52   4.852   9.831  11.555
  331    HD2  HIS  52           HD2      HIS  52   1.546   8.963   9.180
  332    HE1  HIS  52           HE1      HIS  52   4.404  11.898  10.158
  333    H    ILE  53           H        ILE  53   0.313   7.277  10.068
  334    HA   ILE  53           HA       ILE  53  -0.566  10.035  10.081
  335    HB   ILE  53           HB       ILE  53  -1.972   7.712   8.728
  336   1HG1  ILE  53          2HG1      ILE  53   0.409   9.280   7.691
  337   2HG1  ILE  53          1HG1      ILE  53   0.466   7.606   8.243
  338   1HG2  ILE  53          3HG2      ILE  53  -1.735  10.679   8.230
  339   2HG2  ILE  53          2HG2      ILE  53  -2.311   9.560   6.992
  340   3HG2  ILE  53          1HG2      ILE  53  -3.195   9.730   8.508
  341   1HD1  ILE  53           HD1      ILE  53  -1.656   8.117   6.277
  342   2HD1  ILE  53           HD1      ILE  53  -0.031   8.392   5.649
  343   3HD1  ILE  53           HD1      ILE  53  -0.460   6.823   6.329
  344    H    GLN  54           H        GLN  54  -1.926   6.963  11.193
  345    HA   GLN  54           HA       GLN  54  -4.517   7.868  11.844
  346   1HB   GLN  54          2HB       GLN  54  -2.884   5.561  12.421
  347   2HB   GLN  54          1HB       GLN  54  -3.759   6.052  13.872
  348   1HG   GLN  54          2HG       GLN  54  -5.659   5.193  13.039
  349   2HG   GLN  54          1HG       GLN  54  -5.534   6.255  11.636
  350   1HE2  GLN  54          2HE2      GLN  54  -3.544   3.669   9.846
  351   2HE2  GLN  54          1HE2      GLN  54  -3.313   5.291  10.290
  352    H    THR  55           H        THR  55  -1.486   8.323  13.613
  353    HA   THR  55           HA       THR  55  -2.980   9.357  15.916
  354    HB   THR  55           HB       THR  55  -0.806   8.160  16.214
  355    HG1  THR  55           HG1      THR  55  -0.543   9.340  17.916
  356   1HG2  THR  55          2HG2      THR  55   0.211  10.571  14.703
  357   2HG2  THR  55          1HG2      THR  55   1.258   9.585  15.721
  358   3HG2  THR  55          3HG2      THR  55   0.457   8.867  14.324
  359    H    HIS  56           H        HIS  56  -1.158  10.680  13.197
  360    HA   HIS  56           HA       HIS  56  -1.890  13.376  14.167
  361   1HB   HIS  56          2HB       HIS  56   0.072  14.086  13.355
  362   2HB   HIS  56          1HB       HIS  56   0.498  12.395  13.260
  363    HD1  HIS  56           HD1      HIS  56  -0.915  15.160  11.034
  364    HD2  HIS  56           HD2      HIS  56   1.070  11.523  10.738
  365    HE1  HIS  56           HE1      HIS  56   0.022  15.034   8.671
  366    H    LEU  57           H        LEU  57  -3.540  11.255  12.724
  367    HA   LEU  57           HA       LEU  57  -4.755  13.170  10.846
  368   1HB   LEU  57          2HB       LEU  57  -3.156  11.567   9.612
  369   2HB   LEU  57          1HB       LEU  57  -4.331  10.308   9.984
  370    HG   LEU  57           HG       LEU  57  -6.026  11.345   8.689
  371   1HD1  LEU  57           HD1      LEU  57  -4.351  13.767   9.124
  372   2HD1  LEU  57           HD1      LEU  57  -5.256  13.686   7.612
  373   3HD1  LEU  57           HD1      LEU  57  -6.104  13.596   9.155
  374   1HD2  LEU  57           HD2      LEU  57  -3.322  11.668   7.359
  375   2HD2  LEU  57           HD2      LEU  57  -4.428  10.300   7.226
  376   3HD2  LEU  57           HD2      LEU  57  -4.845  11.846   6.488
  377    H    GLU  58           H        GLU  58  -5.115  10.843  13.306
  378    HA   GLU  58           HA       GLU  58  -7.938  10.332  12.518
  379   1HB   GLU  58          2HB       GLU  58  -6.346   8.433  13.235
  380   2HB   GLU  58          1HB       GLU  58  -6.511   9.085  14.865
  381   1HG   GLU  58          2HG       GLU  58  -8.153   7.280  14.441
  382   2HG   GLU  58          1HG       GLU  58  -8.951   8.823  14.743
  383    H    ASP  59           H        ASP  59  -6.147  11.028  15.544
  384    HA   ASP  59           HA       ASP  59  -6.796  12.296  17.412
  385   1HB   ASP  59          2HB       ASP  59  -7.951  13.869  15.101
  386   2HB   ASP  59          1HB       ASP  59  -8.062  14.435  16.769
  387    H    ARG  60           H        ARG  60  -8.520  10.053  16.624
  388    HA   ARG  60           HA       ARG  60 -10.612   9.169  17.212
  389   1HB   ARG  60          2HB       ARG  60  -9.980  11.232  19.173
  390   2HB   ARG  60          1HB       ARG  60 -11.722  11.058  18.946
  391   1HG   ARG  60          2HG       ARG  60 -10.136   8.545  19.154
  392   2HG   ARG  60          1HG       ARG  60 -10.336   9.488  20.632
  393   1HD   ARG  60          2HD       ARG  60 -12.576   9.065  20.755
  394   2HD   ARG  60          1HD       ARG  60 -12.787   9.140  19.005
  395    HE   ARG  60           HE       ARG  60 -11.335   6.793  19.480
  396   1HH1  ARG  60           HH2      ARG  60 -14.478   8.103  19.634
  397   2HH1  ARG  60           HH2      ARG  60 -15.231   6.630  20.147
  398   1HH2  ARG  60           HH1      ARG  60 -12.239   4.908  20.480
  399   2HH2  ARG  60           HH1      ARG  60 -13.963   4.819  20.624
   
  No H/Q in entry =         399
  Start of MODEL   20
    1   1H    THR  14          2H        THR  14 -18.865   0.331  10.325
    2   2H    THR  14          1H        THR  14 -19.432   0.577  11.908
    3   3H    THR  14          3H        THR  14 -19.126   1.909  10.901
    4    HA   THR  14           HA       THR  14 -17.231   1.953  12.134
    5    HB   THR  14           HB       THR  14 -17.935  -0.083  13.431
    6    HG1  THR  14           HG1      THR  14 -15.240  -0.068  12.550
    7   1HG2  THR  14          1HG2      THR  14 -17.895  -1.378  11.070
    8   2HG2  THR  14          3HG2      THR  14 -16.283  -1.794  11.649
    9   3HG2  THR  14          2HG2      THR  14 -17.700  -2.211  12.612
   10    H    LEU  15           H        LEU  15 -15.845   2.726  10.604
   11    HA   LEU  15           HA       LEU  15 -14.385   0.783   8.932
   12   1HB   LEU  15          2HB       LEU  15 -16.591   1.971   7.824
   13   2HB   LEU  15          1HB       LEU  15 -15.323   3.113   7.381
   14    HG   LEU  15           HG       LEU  15 -14.032   0.847   6.776
   15   1HD1  LEU  15           HD1      LEU  15 -16.529  -0.139   7.458
   16   2HD1  LEU  15           HD1      LEU  15 -16.614  -0.037   5.699
   17   3HD1  LEU  15           HD1      LEU  15 -15.336  -0.980   6.468
   18   1HD2  LEU  15           HD2      LEU  15 -15.352   2.899   5.377
   19   2HD2  LEU  15           HD2      LEU  15 -14.172   1.765   4.719
   20   3HD2  LEU  15           HD2      LEU  15 -15.896   1.403   4.620
   21    HA   PRO  16           HA       PRO  16 -12.020   4.485  10.471
   22   1HB   PRO  16          2HB       PRO  16 -10.355   3.084  12.154
   23   2HB   PRO  16          1HB       PRO  16 -11.901   3.783  12.666
   24   1HG   PRO  16          2HG       PRO  16 -11.216   0.929  12.139
   25   2HG   PRO  16          1HG       PRO  16 -12.460   1.607  13.203
   26   1HD   PRO  16          2HD       PRO  16 -12.900   0.500  10.634
   27   2HD   PRO  16          1HD       PRO  16 -14.059   1.471  11.566
   28    H    ARG  17           H        ARG  17 -11.180   4.446   8.278
   29    HA   ARG  17           HA       ARG  17  -8.434   3.924   8.005
   30   1HB   ARG  17          2HB       ARG  17  -8.470   1.905   6.516
   31   2HB   ARG  17          1HB       ARG  17  -8.924   1.546   8.180
   32   1HG   ARG  17          2HG       ARG  17 -10.988   0.879   7.562
   33   2HG   ARG  17          1HG       ARG  17 -11.233   2.333   6.592
   34   1HD   ARG  17          2HD       ARG  17  -9.293   0.566   5.347
   35   2HD   ARG  17          1HD       ARG  17 -10.822  -0.269   5.626
   36    HE   ARG  17           HE       ARG  17 -11.346   2.309   4.494
   37   1HH1  ARG  17           HH2      ARG  17 -12.276  -0.558   3.689
   38   2HH1  ARG  17           HH2      ARG  17 -11.718  -0.601   2.050
   39   1HH2  ARG  17           HH1      ARG  17  -9.659   2.167   2.398
   40   2HH2  ARG  17           HH1      ARG  17 -10.237   0.943   1.318
   41    H    GLY  18           H        GLY  18 -10.468   5.826   7.200
   42   1HA   GLY  18          2HA       GLY  18 -10.268   5.624   4.222
   43   2HA   GLY  18          1HA       GLY  18 -11.544   6.503   5.063
   44    H    SER  19           H        SER  19  -9.408   7.480   7.027
   45    HA   SER  19           HA       SER  19  -8.639   9.826   5.413
   46   1HB   SER  19          2HB       SER  19  -9.641  10.129   7.675
   47   2HB   SER  19          1HB       SER  19  -8.257   9.293   8.374
   48    HG   SER  19           HG       SER  19  -6.942  10.935   7.716
   49    H    ILE  20           H        ILE  20  -7.265   6.923   6.636
   50    HA   ILE  20           HA       ILE  20  -4.506   7.906   6.623
   51    HB   ILE  20           HB       ILE  20  -5.164   4.986   6.544
   52   1HG1  ILE  20          2HG1      ILE  20  -6.893   5.753   8.030
   53   2HG1  ILE  20          1HG1      ILE  20  -5.589   5.146   9.050
   54   1HG2  ILE  20          3HG2      ILE  20  -2.833   5.888   6.755
   55   2HG2  ILE  20          2HG2      ILE  20  -3.304   6.632   8.283
   56   3HG2  ILE  20          1HG2      ILE  20  -3.315   4.876   8.116
   57   1HD1  ILE  20           HD1      ILE  20  -4.814   7.735   8.759
   58   2HD1  ILE  20           HD1      ILE  20  -6.566   7.918   8.685
   59   3HD1  ILE  20           HD1      ILE  20  -5.818   7.164  10.092
   60    H    ASP  21           H        ASP  21  -6.663   6.135   4.477
   61    HA   ASP  21           HA       ASP  21  -4.536   5.540   2.558
   62   1HB   ASP  21          2HB       ASP  21  -7.548   5.251   2.480
   63   2HB   ASP  21          1HB       ASP  21  -6.513   4.836   1.113
   64    H    LYS  22           H        LYS  22  -6.693   8.157   3.205
   65    HA   LYS  22           HA       LYS  22  -6.596   9.249   0.488
   66   1HB   LYS  22          2HB       LYS  22  -8.366   9.594   2.480
   67   2HB   LYS  22          1HB       LYS  22  -7.318  10.974   2.811
   68   1HG   LYS  22          2HG       LYS  22  -7.586  11.759   0.501
   69   2HG   LYS  22          1HG       LYS  22  -8.589  10.357   0.127
   70   1HD   LYS  22          2HD       LYS  22  -9.948  12.385   0.617
   71   2HD   LYS  22          1HD       LYS  22 -10.263  11.075   1.757
   72   1HE   LYS  22          2HE       LYS  22  -8.946  12.103   3.458
   73   2HE   LYS  22          1HE       LYS  22  -8.233  13.244   2.318
   74   1HZ   LYS  22          3HZ       LYS  22 -11.127  13.148   2.965
   75   2HZ   LYS  22          2HZ       LYS  22 -10.022  14.189   3.729
   76   3HZ   LYS  22          1HZ       LYS  22 -10.316  14.333   2.062
   77    H    TYR  23           H        TYR  23  -4.224   8.884   2.650
   78    HA   TYR  23           HA       TYR  23  -2.735  11.186   1.598
   79   1HB   TYR  23          2HB       TYR  23  -3.383  10.894   4.541
   80   2HB   TYR  23          1HB       TYR  23  -2.057  11.891   3.944
   81    HD1  TYR  23           HD2      TYR  23  -2.856  13.370   1.759
   82    HD2  TYR  23           HD1      TYR  23  -5.338  12.057   5.010
   83    HE1  TYR  23           HE2      TYR  23  -4.450  15.209   1.284
   84    HE2  TYR  23           HE1      TYR  23  -6.932  13.897   4.535
   85    HH   TYR  23           HH       TYR  23  -7.565  15.384   2.826
   86    H    VAL  24           H        VAL  24  -2.300   8.497   1.123
   87    HA   VAL  24           HA       VAL  24   0.275   8.077   2.563
   88    HB   VAL  24           HB       VAL  24  -1.952   6.071   2.163
   89   1HG1  VAL  24          3HG1      VAL  24   0.970   5.662   2.141
   90   2HG1  VAL  24          2HG1      VAL  24   0.107   4.657   3.306
   91   3HG1  VAL  24          1HG1      VAL  24  -0.320   4.589   1.596
   92   1HG2  VAL  24          2HG2      VAL  24  -1.677   7.545   4.264
   93   2HG2  VAL  24          1HG2      VAL  24  -1.815   5.805   4.519
   94   3HG2  VAL  24          3HG2      VAL  24  -0.235   6.584   4.597
   95    H    LYS  25           H        LYS  25   1.753   8.279   0.952
   96    HA   LYS  25           HA       LYS  25   1.053   7.307  -1.767
   97   1HB   LYS  25          2HB       LYS  25   2.526   9.524  -0.786
   98   2HB   LYS  25          1HB       LYS  25   3.682   8.469  -1.601
   99   1HG   LYS  25          2HG       LYS  25   1.041   9.104  -2.899
  100   2HG   LYS  25          1HG       LYS  25   2.386  10.241  -3.019
  101   1HD   LYS  25          2HD       LYS  25   3.485   7.698  -3.555
  102   2HD   LYS  25          1HD       LYS  25   1.970   7.767  -4.457
  103   1HE   LYS  25          2HE       LYS  25   2.762  10.125  -5.194
  104   2HE   LYS  25          1HE       LYS  25   4.354   9.600  -4.650
  105   1HZ   LYS  25          2HZ       LYS  25   2.880   7.752  -6.349
  106   2HZ   LYS  25          1HZ       LYS  25   3.459   9.164  -7.096
  107   3HZ   LYS  25          3HZ       LYS  25   4.540   8.114  -6.318
  108    H    GLU  26           H        GLU  26   1.267   5.022  -1.201
  109    HA   GLU  26           HA       GLU  26   3.842   4.027  -0.237
  110   1HB   GLU  26          2HB       GLU  26   2.855   1.790  -0.670
  111   2HB   GLU  26          1HB       GLU  26   1.771   2.804   0.282
  112   1HG   GLU  26          2HG       GLU  26   1.003   3.462  -2.258
  113   2HG   GLU  26          1HG       GLU  26   1.447   1.767  -2.463
  114    H    MET  27           H        MET  27   5.409   4.666  -1.754
  115    HA   MET  27           HA       MET  27   5.052   4.344  -4.597
  116   1HB   MET  27          2HB       MET  27   6.986   5.475  -2.844
  117   2HB   MET  27          1HB       MET  27   7.828   4.346  -3.908
  118   1HG   MET  27          2HG       MET  27   7.824   6.111  -5.359
  119   2HG   MET  27          1HG       MET  27   6.177   5.574  -5.692
  120   1HE   MET  27          1HE       MET  27   8.504   7.856  -4.897
  121   2HE   MET  27          3HE       MET  27   7.597   9.374  -4.936
  122   3HE   MET  27          2HE       MET  27   8.099   8.684  -3.396
  123    HA   PRO  28           HA       PRO  28   5.827  -0.027  -4.651
  124   1HB   PRO  28          2HB       PRO  28   5.858  -0.265  -7.398
  125   2HB   PRO  28          1HB       PRO  28   4.375  -0.169  -6.431
  126   1HG   PRO  28          2HG       PRO  28   5.665   1.940  -8.113
  127   2HG   PRO  28          1HG       PRO  28   3.951   1.702  -7.730
  128   1HD   PRO  28          2HD       PRO  28   5.611   3.609  -6.521
  129   2HD   PRO  28          1HD       PRO  28   4.074   3.022  -5.848
  130    H    ASP  29           H        ASP  29   7.870   2.468  -5.657
  131    HA   ASP  29           HA       ASP  29  10.015   0.650  -6.559
  132   1HB   ASP  29          2HB       ASP  29  11.243   2.627  -7.143
  133   2HB   ASP  29          1HB       ASP  29   9.581   2.908  -7.660
  134    H    LYS  30           H        LYS  30   8.811   0.872  -3.761
  135    HA   LYS  30           HA       LYS  30   9.674   0.474  -1.629
  136   1HB   LYS  30          2HB       LYS  30  12.071   0.342  -3.297
  137   2HB   LYS  30          1HB       LYS  30  12.405   0.987  -1.692
  138   1HG   LYS  30          2HG       LYS  30  10.824  -1.042  -0.969
  139   2HG   LYS  30          1HG       LYS  30  11.413  -1.711  -2.491
  140   1HD   LYS  30          2HD       LYS  30  13.764  -0.966  -1.605
  141   2HD   LYS  30          1HD       LYS  30  12.971  -0.965  -0.030
  142   1HE   LYS  30          2HE       LYS  30  12.966  -3.219   0.067
  143   2HE   LYS  30          1HE       LYS  30  12.318  -3.353  -1.569
  144   1HZ   LYS  30          2HZ       LYS  30  14.586  -2.880  -2.396
  145   2HZ   LYS  30          1HZ       LYS  30  15.155  -2.962  -0.798
  146   3HZ   LYS  30          3HZ       LYS  30  14.475  -4.334  -1.525
  147    H    THR  31           H        THR  31   8.454   2.645  -1.602
  148    HA   THR  31           HA       THR  31  10.080   4.511  -0.071
  149    HB   THR  31           HB       THR  31   8.760   5.744  -2.446
  150    HG1  THR  31           HG1      THR  31  11.034   5.599  -3.309
  151   1HG2  THR  31          1HG2      THR  31  10.431   6.554  -0.252
  152   2HG2  THR  31          3HG2      THR  31  11.244   6.911  -1.776
  153   3HG2  THR  31          2HG2      THR  31   9.635   7.562  -1.461
  154    H    PHE  32           H        PHE  32   8.567   6.565   0.367
  155    HA   PHE  32           HA       PHE  32   5.704   6.015   0.288
  156   1HB   PHE  32          2HB       PHE  32   7.310   5.207   2.605
  157   2HB   PHE  32          1HB       PHE  32   5.987   6.293   3.029
  158    HD1  PHE  32           HD2      PHE  32   3.651   5.675   2.591
  159    HD2  PHE  32           HD1      PHE  32   6.883   3.000   1.673
  160    HE1  PHE  32           HE2      PHE  32   2.038   3.807   2.356
  161    HE2  PHE  32           HE1      PHE  32   5.270   1.132   1.437
  162    HZ   PHE  32           HZ       PHE  32   2.847   1.535   1.780
  163    H    GLU  33           H        GLU  33   4.491   7.888   0.912
  164    HA   GLU  33           HA       GLU  33   5.983  10.198   1.987
  165   1HB   GLU  33          2HB       GLU  33   6.200  10.114  -0.587
  166   2HB   GLU  33          1HB       GLU  33   4.487  10.535  -0.611
  167   1HG   GLU  33          2HG       GLU  33   5.365  12.370   1.164
  168   2HG   GLU  33          1HG       GLU  33   6.828  12.178   0.199
  169    H    CYS  34           H        CYS  34   4.610  10.550   3.690
  170    HA   CYS  34           HA       CYS  34   1.788  10.156   3.707
  171   1HB   CYS  34          2HB       CYS  34   3.326  10.516   5.705
  172   2HB   CYS  34          1HB       CYS  34   3.312  12.231   5.309
  173    H    LEU  35           H        LEU  35   0.425  11.182   2.290
  174    HA   LEU  35           HA       LEU  35   1.142  13.793   1.172
  175   1HB   LEU  35          2HB       LEU  35  -1.426  12.238   0.794
  176   2HB   LEU  35          1HB       LEU  35  -0.791  13.515  -0.242
  177    HG   LEU  35           HG       LEU  35   1.314  11.730  -0.131
  178   1HD1  LEU  35           HD1      LEU  35  -1.266  10.316   0.286
  179   2HD1  LEU  35           HD1      LEU  35  -0.193   9.632  -0.935
  180   3HD1  LEU  35           HD1      LEU  35   0.371   9.825   0.724
  181   1HD2  LEU  35           HD2      LEU  35  -0.652  12.691  -2.031
  182   2HD2  LEU  35           HD2      LEU  35   1.029  12.238  -2.311
  183   3HD2  LEU  35           HD2      LEU  35  -0.236  11.012  -2.375
  184    H    PHE  36           H        PHE  36   0.024  13.144   4.125
  185    HA   PHE  36           HA       PHE  36  -2.384  14.670   4.351
  186   1HB   PHE  36          2HB       PHE  36  -1.652  13.245   6.178
  187   2HB   PHE  36          1HB       PHE  36  -0.168  14.181   6.359
  188    HD1  PHE  36           HD2      PHE  36  -0.289  16.576   7.117
  189    HD2  PHE  36           HD1      PHE  36  -3.711  13.989   7.135
  190    HE1  PHE  36           HE2      PHE  36  -1.442  18.112   8.681
  191    HE2  PHE  36           HE1      PHE  36  -4.864  15.519   8.702
  192    HZ   PHE  36           HZ       PHE  36  -3.732  17.586   9.475
  193    HA   PRO  37           HA       PRO  37  -0.747  18.709   3.716
  194   1HB   PRO  37          2HB       PRO  37  -2.915  20.117   4.667
  195   2HB   PRO  37          1HB       PRO  37  -2.875  19.334   3.077
  196   1HG   PRO  37          2HG       PRO  37  -4.293  18.475   5.558
  197   2HG   PRO  37          1HG       PRO  37  -4.697  18.147   3.865
  198   1HD   PRO  37          2HD       PRO  37  -3.450  16.337   5.645
  199   2HD   PRO  37          1HD       PRO  37  -3.542  16.164   3.879
  200    H    GLY  38           H        GLY  38   0.912  19.076   5.133
  201   1HA   GLY  38          2HA       GLY  38   1.376  20.701   7.041
  202   2HA   GLY  38          1HA       GLY  38   0.205  19.746   7.959
  203    H    CYS  39           H        CYS  39   1.268  17.322   6.398
  204    HA   CYS  39           HA       CYS  39   3.150  16.448   8.416
  205   1HB   CYS  39          2HB       CYS  39   1.554  15.020   6.965
  206   2HB   CYS  39          1HB       CYS  39   2.788  15.154   5.714
  207    H    THR  40           H        THR  40   5.368  15.577   7.748
  208    HA   THR  40           HA       THR  40   6.639  16.859   5.447
  209    HB   THR  40           HB       THR  40   7.894  17.587   8.063
  210    HG1  THR  40           HG1      THR  40   6.222  18.716   8.591
  211   1HG2  THR  40          1HG2      THR  40   8.896  17.995   5.763
  212   2HG2  THR  40          3HG2      THR  40   7.590  19.148   5.490
  213   3HG2  THR  40          2HG2      THR  40   8.753  19.424   6.786
  214    H    LYS  41           H        LYS  41   6.241  14.158   6.730
  215    HA   LYS  41           HA       LYS  41   9.136  13.414   6.816
  216   1HB   LYS  41          2HB       LYS  41   6.994  12.880   8.778
  217   2HB   LYS  41          1HB       LYS  41   7.956  11.469   8.337
  218   1HG   LYS  41          2HG       LYS  41   9.994  12.538   8.988
  219   2HG   LYS  41          1HG       LYS  41   9.204  14.109   9.124
  220   1HD   LYS  41          2HD       LYS  41   9.572  13.079  11.348
  221   2HD   LYS  41          1HD       LYS  41   7.854  13.289  11.005
  222   1HE   LYS  41          2HE       LYS  41   7.685  10.937  10.314
  223   2HE   LYS  41          1HE       LYS  41   9.411  10.717  10.599
  224   1HZ   LYS  41          1HZ       LYS  41   8.854  11.573  12.943
  225   2HZ   LYS  41          3HZ       LYS  41   7.255  11.161  12.556
  226   3HZ   LYS  41          2HZ       LYS  41   8.463   9.967  12.546
  227    H    THR  42           H        THR  42   9.665  11.554   5.671
  228    HA   THR  42           HA       THR  42   7.405  10.140   4.308
  229    HB   THR  42           HB       THR  42   8.547  10.152   2.269
  230    HG1  THR  42           HG1      THR  42  10.529   9.442   2.787
  231   1HG2  THR  42          2HG2      THR  42   9.329  12.726   3.663
  232   2HG2  THR  42          1HG2      THR  42   9.339  12.484   1.916
  233   3HG2  THR  42          3HG2      THR  42   7.818  12.421   2.806
  234    H    PHE  43           H        PHE  43   8.121   7.894   3.547
  235    HA   PHE  43           HA       PHE  43  10.342   6.770   5.164
  236   1HB   PHE  43          2HB       PHE  43   7.742   5.287   5.210
  237   2HB   PHE  43          1HB       PHE  43   9.052   5.288   6.392
  238    HD1  PHE  43           HD1      PHE  43   6.290   7.367   4.991
  239    HD2  PHE  43           HD2      PHE  43   9.025   6.765   8.248
  240    HE1  PHE  43           HE1      PHE  43   5.096   9.092   6.311
  241    HE2  PHE  43           HE2      PHE  43   7.832   8.492   9.568
  242    HZ   PHE  43           HZ       PHE  43   5.867   9.656   8.600
  243    H    LYS  44           H        LYS  44   9.766   4.064   4.656
  244    HA   LYS  44           HA       LYS  44   9.758   3.964   1.668
  245   1HB   LYS  44          2HB       LYS  44  11.725   2.897   3.638
  246   2HB   LYS  44          1HB       LYS  44  11.352   1.878   2.248
  247   1HG   LYS  44          2HG       LYS  44  12.866   3.120   1.117
  248   2HG   LYS  44          1HG       LYS  44  11.646   4.396   1.120
  249   1HD   LYS  44          2HD       LYS  44  12.549   5.322   3.182
  250   2HD   LYS  44          1HD       LYS  44  13.697   3.989   3.316
  251   1HE   LYS  44          2HE       LYS  44  14.871   5.888   2.382
  252   2HE   LYS  44          1HE       LYS  44  14.664   4.693   1.101
  253   1HZ   LYS  44          1HZ       LYS  44  12.847   6.996   1.554
  254   2HZ   LYS  44          3HZ       LYS  44  14.103   6.980   0.414
  255   3HZ   LYS  44          2HZ       LYS  44  12.799   5.901   0.256
  256    H    ARG  45           H        ARG  45   9.610   1.416   1.088
  257    HA   ARG  45           HA       ARG  45   7.036   0.534   1.567
  258   1HB   ARG  45          2HB       ARG  45   9.538  -0.723   0.708
  259   2HB   ARG  45          1HB       ARG  45   8.450  -1.853   1.516
  260   1HG   ARG  45          2HG       ARG  45   6.696  -0.495  -0.078
  261   2HG   ARG  45          1HG       ARG  45   8.147  -0.478  -1.082
  262   1HD   ARG  45          2HD       ARG  45   7.759  -3.082   0.146
  263   2HD   ARG  45          1HD       ARG  45   6.344  -2.606  -0.792
  264    HE   ARG  45           HE       ARG  45   8.799  -2.132  -2.257
  265   1HH1  ARG  45           HH1      ARG  45   6.534  -3.041  -3.771
  266   2HH1  ARG  45           HH1      ARG  45   6.818  -4.734  -4.002
  267   1HH2  ARG  45           HH2      ARG  45   9.170  -4.957  -1.464
  268   2HH2  ARG  45           HH2      ARG  45   8.311  -5.818  -2.698
  269    H    ARG  46           H        ARG  46   6.280   0.755   3.688
  270    HA   ARG  46           HA       ARG  46   7.117  -1.351   5.555
  271   1HB   ARG  46          2HB       ARG  46   7.930   1.467   5.870
  272   2HB   ARG  46          1HB       ARG  46   7.165   0.767   7.296
  273   1HG   ARG  46          2HG       ARG  46   9.312  -0.750   5.830
  274   2HG   ARG  46          1HG       ARG  46   9.745   0.495   7.002
  275   1HD   ARG  46          2HD       ARG  46   7.672  -1.202   8.086
  276   2HD   ARG  46          1HD       ARG  46   9.036  -2.182   7.548
  277    HE   ARG  46           HE       ARG  46  10.288  -0.196   8.947
  278   1HH1  ARG  46           HH2      ARG  46   8.392  -2.913   9.592
  279   2HH1  ARG  46           HH2      ARG  46   8.269  -2.631  11.296
  280   1HH2  ARG  46           HH1      ARG  46   9.785   0.486  11.159
  281   2HH2  ARG  46           HH1      ARG  46   9.057  -0.707  12.183
  282    H    TYR  47           H        TYR  47   5.645  -1.367   7.490
  283    HA   TYR  47           HA       TYR  47   2.993  -0.186   6.792
  284   1HB   TYR  47          2HB       TYR  47   2.663  -2.266   8.700
  285   2HB   TYR  47          1HB       TYR  47   2.147  -2.271   7.016
  286    HD1  TYR  47           HD1      TYR  47   4.902  -3.143   9.335
  287    HD2  TYR  47           HD2      TYR  47   3.367  -3.463   5.340
  288    HE1  TYR  47           HE1      TYR  47   6.612  -4.871   8.817
  289    HE2  TYR  47           HE2      TYR  47   5.073  -5.193   4.817
  290    HH   TYR  47           HH       TYR  47   6.631  -6.924   6.912
  291    H    ASN  48           H        ASN  48   5.294   0.880   8.443
  292    HA   ASN  48           HA       ASN  48   3.922   0.985  11.067
  293   1HB   ASN  48          2HB       ASN  48   6.738   1.092  10.210
  294   2HB   ASN  48          1HB       ASN  48   6.312   2.319  11.403
  295   1HD2  ASN  48           HD2      ASN  48   5.390  -1.480  12.646
  296   2HD2  ASN  48           HD2      ASN  48   4.847  -0.936  11.133
  297    H    ILE  49           H        ILE  49   5.413   2.936   8.552
  298    HA   ILE  49           HA       ILE  49   4.855   5.509   9.552
  299    HB   ILE  49           HB       ILE  49   5.908   5.998   7.614
  300   1HG1  ILE  49          2HG1      ILE  49   3.503   6.622   7.027
  301   2HG1  ILE  49          1HG1      ILE  49   4.605   6.407   5.667
  302   1HG2  ILE  49          1HG2      ILE  49   5.029   3.267   6.664
  303   2HG2  ILE  49          3HG2      ILE  49   6.047   4.346   5.710
  304   3HG2  ILE  49          2HG2      ILE  49   6.619   3.737   7.263
  305   1HD1  ILE  49           HD1      ILE  49   3.438   3.870   6.347
  306   2HD1  ILE  49           HD1      ILE  49   2.156   5.060   6.129
  307   3HD1  ILE  49           HD1      ILE  49   3.315   4.768   4.834
  308    H    ARG  50           H        ARG  50   2.737   3.155   8.006
  309    HA   ARG  50           HA       ARG  50   0.489   4.802   7.507
  310   1HB   ARG  50          2HB       ARG  50   0.847   2.259   7.034
  311   2HB   ARG  50          1HB       ARG  50   0.197   2.030   8.658
  312   1HG   ARG  50          2HG       ARG  50  -1.874   3.071   8.083
  313   2HG   ARG  50          1HG       ARG  50  -1.219   3.696   6.570
  314   1HD   ARG  50          2HD       ARG  50  -2.281   1.850   5.713
  315   2HD   ARG  50          1HD       ARG  50  -0.768   1.071   6.174
  316    HE   ARG  50           HE       ARG  50  -2.030  -0.172   7.712
  317   1HH1  ARG  50           HH2      ARG  50  -4.350   1.589   6.280
  318   2HH1  ARG  50           HH2      ARG  50  -5.314   1.889   7.687
  319   1HH2  ARG  50           HH1      ARG  50  -2.896   0.773   9.909
  320   2HH2  ARG  50           HH1      ARG  50  -4.491   1.426   9.741
  321    H    SER  51           H        SER  51   1.446   3.098  10.489
  322    HA   SER  51           HA       SER  51  -0.771   3.981  12.066
  323   1HB   SER  51          2HB       SER  51   0.608   2.174  12.883
  324   2HB   SER  51          1HB       SER  51   2.053   3.180  12.822
  325    HG   SER  51           HG       SER  51   1.518   3.532  14.841
  326    H    HIS  52           H        HIS  52   2.308   5.458  11.210
  327    HA   HIS  52           HA       HIS  52   2.339   7.568  13.100
  328   1HB   HIS  52          2HB       HIS  52   4.301   7.722  11.930
  329   2HB   HIS  52          1HB       HIS  52   3.596   7.001  10.490
  330    HD1  HIS  52           HD1      HIS  52   4.946  10.115  11.647
  331    HD2  HIS  52           HD2      HIS  52   1.812   9.079   9.112
  332    HE1  HIS  52           HE1      HIS  52   4.371  12.198  10.325
  333    H    ILE  53           H        ILE  53   0.735   7.355   9.942
  334    HA   ILE  53           HA       ILE  53  -0.376  10.011  10.072
  335    HB   ILE  53           HB       ILE  53  -1.406   7.550   8.609
  336   1HG1  ILE  53          2HG1      ILE  53   0.493   9.769   7.804
  337   2HG1  ILE  53          1HG1      ILE  53   0.837   8.042   7.865
  338   1HG2  ILE  53          3HG2      ILE  53  -2.031  10.497   8.414
  339   2HG2  ILE  53          2HG2      ILE  53  -2.423   9.360   7.125
  340   3HG2  ILE  53          1HG2      ILE  53  -3.155   9.173   8.719
  341   1HD1  ILE  53           HD1      ILE  53  -1.024   7.751   6.135
  342   2HD1  ILE  53           HD1      ILE  53  -0.976   9.502   5.935
  343   3HD1  ILE  53           HD1      ILE  53   0.450   8.532   5.561
  344    H    GLN  54           H        GLN  54  -1.843   6.816  10.649
  345    HA   GLN  54           HA       GLN  54  -4.342   7.575  11.537
  346   1HB   GLN  54          2HB       GLN  54  -2.805   5.240  11.688
  347   2HB   GLN  54          1HB       GLN  54  -3.225   5.600  13.362
  348   1HG   GLN  54          2HG       GLN  54  -5.361   4.972  13.031
  349   2HG   GLN  54          1HG       GLN  54  -5.506   6.033  11.629
  350   1HE2  GLN  54          2HE2      GLN  54  -4.004   3.263   9.551
  351   2HE2  GLN  54          1HE2      GLN  54  -3.459   4.808   9.990
  352    H    THR  55           H        THR  55  -1.291   8.019  13.255
  353    HA   THR  55           HA       THR  55  -2.719   8.763  15.697
  354    HB   THR  55           HB       THR  55   0.140   9.525  15.225
  355    HG1  THR  55           HG1      THR  55  -0.930   6.930  15.375
  356   1HG2  THR  55          3HG2      THR  55  -1.589   9.467  17.409
  357   2HG2  THR  55          2HG2      THR  55  -0.571   8.045  17.631
  358   3HG2  THR  55          1HG2      THR  55   0.165   9.640  17.475
  359    H    HIS  56           H        HIS  56  -0.961  10.479  13.138
  360    HA   HIS  56           HA       HIS  56  -2.027  12.995  14.250
  361   1HB   HIS  56          2HB       HIS  56  -0.152  13.985  13.507
  362   2HB   HIS  56          1HB       HIS  56   0.471  12.357  13.384
  363    HD1  HIS  56           HD1      HIS  56  -1.057  15.084  11.218
  364    HD2  HIS  56           HD2      HIS  56   1.110  11.566  10.828
  365    HE1  HIS  56           HE1      HIS  56  -0.052  15.102   8.885
  366    H    LEU  57           H        LEU  57  -3.547  10.923  12.745
  367    HA   LEU  57           HA       LEU  57  -4.879  12.804  10.942
  368   1HB   LEU  57          2HB       LEU  57  -3.108  10.767   9.939
  369   2HB   LEU  57          1HB       LEU  57  -4.757  10.424   9.420
  370    HG   LEU  57           HG       LEU  57  -3.180  12.972   8.988
  371   1HD1  LEU  57           HD1      LEU  57  -4.079  10.675   7.332
  372   2HD1  LEU  57           HD1      LEU  57  -4.234  12.269   6.596
  373   3HD1  LEU  57           HD1      LEU  57  -2.660  11.706   7.154
  374   1HD2  LEU  57           HD2      LEU  57  -6.127  12.411   8.875
  375   2HD2  LEU  57           HD2      LEU  57  -5.289  13.852   9.449
  376   3HD2  LEU  57           HD2      LEU  57  -5.424  13.541   7.720
  377    H    GLU  58           H        GLU  58  -5.030  10.205  13.167
  378    HA   GLU  58           HA       GLU  58  -7.397   8.886  12.222
  379   1HB   GLU  58          2HB       GLU  58  -6.228   7.794  13.977
  380   2HB   GLU  58          1HB       GLU  58  -6.206   9.246  14.978
  381   1HG   GLU  58          2HG       GLU  58  -8.925   8.478  14.269
  382   2HG   GLU  58          1HG       GLU  58  -8.079   7.173  15.104
  383    H    ASP  59           H        ASP  59  -6.903  11.812  14.159
  384    HA   ASP  59           HA       ASP  59  -9.492  12.852  13.400
  385   1HB   ASP  59          2HB       ASP  59  -9.840  11.067  15.338
  386   2HB   ASP  59          1HB       ASP  59  -9.314  12.407  16.356
  387    H    ARG  60           H        ARG  60  -6.611  13.597  13.570
  388    HA   ARG  60           HA       ARG  60  -6.541  15.718  15.612
  389   1HB   ARG  60          2HB       ARG  60  -4.549  14.252  14.715
  390   2HB   ARG  60          1HB       ARG  60  -4.512  15.444  13.414
  391   1HG   ARG  60          2HG       ARG  60  -4.170  17.248  14.967
  392   2HG   ARG  60          1HG       ARG  60  -4.478  16.193  16.347
  393   1HD   ARG  60          2HD       ARG  60  -2.268  15.495  14.442
  394   2HD   ARG  60          1HD       ARG  60  -1.997  16.752  15.649
  395    HE   ARG  60           HE       ARG  60  -2.680  13.915  16.293
  396   1HH1  ARG  60           HH1      ARG  60  -3.326  14.704  18.718
  397   2HH1  ARG  60           HH1      ARG  60  -1.909  15.252  19.550
  398   1HH2  ARG  60           HH2      ARG  60  -0.036  15.633  16.657
  399   2HH2  ARG  60           HH2      ARG  60  -0.047  15.779  18.383
   
  No H/Q in entry =         399
  Start of MODEL   21
    1   1H    THR  14          2H        THR  14 -14.079  10.061   6.244
    2   2H    THR  14          1H        THR  14 -14.481  11.709   6.350
    3   3H    THR  14          3H        THR  14 -13.485  11.004   7.527
    4    HA   THR  14           HA       THR  14 -15.323  10.765   8.738
    5    HB   THR  14           HB       THR  14 -17.080  10.785   6.285
    6    HG1  THR  14           HG1      THR  14 -16.855  12.899   6.129
    7   1HG2  THR  14          1HG2      THR  14 -17.676  10.443   8.906
    8   2HG2  THR  14          3HG2      THR  14 -17.756  12.201   8.800
    9   3HG2  THR  14          2HG2      THR  14 -18.775  11.207   7.759
   10    H    LEU  15           H        LEU  15 -15.825   9.058   5.623
   11    HA   LEU  15           HA       LEU  15 -17.094   6.773   6.727
   12   1HB   LEU  15          2HB       LEU  15 -15.524   7.291   4.219
   13   2HB   LEU  15          1HB       LEU  15 -15.987   5.638   4.623
   14    HG   LEU  15           HG       LEU  15 -18.327   7.013   5.080
   15   1HD1  LEU  15           HD1      LEU  15 -16.800   8.313   2.820
   16   2HD1  LEU  15           HD1      LEU  15 -18.563   8.317   2.871
   17   3HD1  LEU  15           HD1      LEU  15 -17.641   9.092   4.160
   18   1HD2  LEU  15           HD2      LEU  15 -17.257   5.558   2.654
   19   2HD2  LEU  15           HD2      LEU  15 -18.324   4.937   3.914
   20   3HD2  LEU  15           HD2      LEU  15 -18.930   6.110   2.744
   21    HA   PRO  16           HA       PRO  16 -13.823   4.569   8.649
   22   1HB   PRO  16          2HB       PRO  16 -14.671   1.989   8.225
   23   2HB   PRO  16          1HB       PRO  16 -15.423   3.086   9.396
   24   1HG   PRO  16          2HG       PRO  16 -16.431   2.210   6.728
   25   2HG   PRO  16          1HG       PRO  16 -17.340   2.746   8.152
   26   1HD   PRO  16          2HD       PRO  16 -16.790   4.306   5.856
   27   2HD   PRO  16          1HD       PRO  16 -17.397   4.914   7.411
   28    H    ARG  17           H        ARG  17 -11.853   3.507   8.142
   29    HA   ARG  17           HA       ARG  17 -10.086   2.914   6.704
   30   1HB   ARG  17          2HB       ARG  17 -12.439   1.249   5.900
   31   2HB   ARG  17          1HB       ARG  17 -11.008   1.214   4.868
   32   1HG   ARG  17          2HG       ARG  17 -11.025   0.678   7.854
   33   2HG   ARG  17          1HG       ARG  17 -10.913  -0.554   6.598
   34   1HD   ARG  17          2HD       ARG  17  -8.883   1.494   7.426
   35   2HD   ARG  17          1HD       ARG  17  -8.663  -0.225   7.100
   36    HE   ARG  17           HE       ARG  17  -8.824   1.916   5.052
   37   1HH1  ARG  17           HH1      ARG  17 -10.117  -0.107   3.619
   38   2HH1  ARG  17           HH1      ARG  17  -8.872  -1.185   3.082
   39   1HH2  ARG  17           HH2      ARG  17  -6.527  -0.033   5.362
   40   2HH2  ARG  17           HH2      ARG  17  -6.837  -1.143   4.070
   41    H    GLY  18           H        GLY  18 -11.161   5.404   6.058
   42   1HA   GLY  18          2HA       GLY  18 -10.679   5.438   3.133
   43   2HA   GLY  18          1HA       GLY  18 -12.177   6.169   3.714
   44    H    SER  19           H        SER  19  -9.557   6.418   5.900
   45    HA   SER  19           HA       SER  19  -9.189   9.262   5.093
   46   1HB   SER  19          2HB       SER  19  -8.228   8.933   7.710
   47   2HB   SER  19          1HB       SER  19  -9.732   9.715   7.231
   48    HG   SER  19           HG       SER  19 -10.040   7.968   8.709
   49    H    ILE  20           H        ILE  20  -7.521   6.373   6.282
   50    HA   ILE  20           HA       ILE  20  -4.879   7.517   6.208
   51    HB   ILE  20           HB       ILE  20  -5.451   4.589   5.768
   52   1HG1  ILE  20          2HG1      ILE  20  -6.966   5.107   7.536
   53   2HG1  ILE  20          1HG1      ILE  20  -5.518   4.490   8.333
   54   1HG2  ILE  20          3HG2      ILE  20  -3.123   5.997   6.067
   55   2HG2  ILE  20          2HG2      ILE  20  -3.462   5.542   7.736
   56   3HG2  ILE  20          1HG2      ILE  20  -3.311   4.297   6.496
   57   1HD1  ILE  20           HD1      ILE  20  -4.741   6.892   8.558
   58   2HD1  ILE  20           HD1      ILE  20  -6.344   7.383   8.009
   59   3HD1  ILE  20           HD1      ILE  20  -6.165   6.481   9.514
   60    H    ASP  21           H        ASP  21  -6.706   5.517   3.920
   61    HA   ASP  21           HA       ASP  21  -4.627   5.569   1.900
   62   1HB   ASP  21          2HB       ASP  21  -7.593   4.982   1.628
   63   2HB   ASP  21          1HB       ASP  21  -6.359   4.624   0.419
   64    H    LYS  22           H        LYS  22  -6.639   7.970   3.046
   65    HA   LYS  22           HA       LYS  22  -6.996   9.290   0.418
   66   1HB   LYS  22          2HB       LYS  22  -8.825   9.314   2.147
   67   2HB   LYS  22          1HB       LYS  22  -7.773  10.293   3.171
   68   1HG   LYS  22          2HG       LYS  22  -7.742  11.505   0.614
   69   2HG   LYS  22          1HG       LYS  22  -9.431  11.136   0.969
   70   1HD   LYS  22          2HD       LYS  22  -8.102  12.178   3.325
   71   2HD   LYS  22          1HD       LYS  22  -7.934  13.296   1.971
   72   1HE   LYS  22          2HE       LYS  22 -10.565  12.068   2.840
   73   2HE   LYS  22          1HE       LYS  22 -10.017  13.676   3.316
   74   1HZ   LYS  22          2HZ       LYS  22 -10.277  12.804   0.494
   75   2HZ   LYS  22          1HZ       LYS  22 -11.503  13.623   1.337
   76   3HZ   LYS  22          3HZ       LYS  22 -10.009  14.380   1.069
   77    H    TYR  23           H        TYR  23  -4.542   9.006   2.617
   78    HA   TYR  23           HA       TYR  23  -3.274  11.472   1.614
   79   1HB   TYR  23          2HB       TYR  23  -4.157  11.074   4.433
   80   2HB   TYR  23          1HB       TYR  23  -2.561  11.785   4.189
   81    HD1  TYR  23           HD2      TYR  23  -2.733  13.439   1.886
   82    HD2  TYR  23           HD1      TYR  23  -5.740  12.729   4.870
   83    HE1  TYR  23           HE2      TYR  23  -3.785  15.618   1.346
   84    HE2  TYR  23           HE1      TYR  23  -6.791  14.908   4.329
   85    HH   TYR  23           HH       TYR  23  -5.560  16.934   1.679
   86    H    VAL  24           H        VAL  24  -2.837   8.576   1.320
   87    HA   VAL  24           HA       VAL  24  -0.104   8.431   2.527
   88    HB   VAL  24           HB       VAL  24  -1.860   6.789   3.426
   89   1HG1  VAL  24          3HG1      VAL  24  -2.781   6.390   1.067
   90   2HG1  VAL  24          2HG1      VAL  24  -1.357   5.384   0.797
   91   3HG1  VAL  24          1HG1      VAL  24  -2.515   4.953   2.056
   92   1HG2  VAL  24          2HG2      VAL  24   0.852   6.208   2.359
   93   2HG2  VAL  24          1HG2      VAL  24   0.234   6.054   4.003
   94   3HG2  VAL  24          3HG2      VAL  24  -0.118   4.806   2.808
   95    H    LYS  25           H        LYS  25   1.452   8.463   0.980
   96    HA   LYS  25           HA       LYS  25   0.682   7.634  -1.786
   97   1HB   LYS  25          2HB       LYS  25   1.482  10.016  -1.383
   98   2HB   LYS  25          1HB       LYS  25   3.060   9.331  -0.990
   99   1HG   LYS  25          2HG       LYS  25   3.001   9.985  -3.352
  100   2HG   LYS  25          1HG       LYS  25   3.114   8.231  -3.216
  101   1HD   LYS  25          2HD       LYS  25   0.779   7.954  -3.689
  102   2HD   LYS  25          1HD       LYS  25   0.477   9.684  -3.525
  103   1HE   LYS  25          2HE       LYS  25   0.688   9.696  -5.792
  104   2HE   LYS  25          1HE       LYS  25   2.416   9.680  -5.447
  105   1HZ   LYS  25          1HZ       LYS  25   1.746   7.071  -5.276
  106   2HZ   LYS  25          3HZ       LYS  25   0.741   7.607  -6.532
  107   3HZ   LYS  25          2HZ       LYS  25   2.423   7.816  -6.646
  108    H    GLU  26           H        GLU  26   1.102   5.372  -1.302
  109    HA   GLU  26           HA       GLU  26   3.779   4.570  -0.433
  110   1HB   GLU  26          2HB       GLU  26   2.955   2.273  -0.834
  111   2HB   GLU  26          1HB       GLU  26   1.806   3.198   0.134
  112   1HG   GLU  26          2HG       GLU  26   0.403   3.604  -1.786
  113   2HG   GLU  26          1HG       GLU  26   1.611   2.923  -2.876
  114    H    MET  27           H        MET  27   5.352   3.542  -1.779
  115    HA   MET  27           HA       MET  27   4.866   3.860  -4.711
  116   1HB   MET  27          2HB       MET  27   6.676   5.315  -3.176
  117   2HB   MET  27          1HB       MET  27   7.669   4.069  -3.934
  118   1HG   MET  27          2HG       MET  27   7.504   5.060  -5.953
  119   2HG   MET  27          1HG       MET  27   5.749   5.174  -5.817
  120   1HE   MET  27          2HE       MET  27   4.878   7.053  -6.394
  121   2HE   MET  27          1HE       MET  27   4.459   7.386  -4.715
  122   3HE   MET  27          3HE       MET  27   5.122   8.669  -5.737
  123    HA   PRO  28           HA       PRO  28   5.950  -0.414  -4.801
  124   1HB   PRO  28          2HB       PRO  28   6.312  -0.603  -7.527
  125   2HB   PRO  28          1HB       PRO  28   4.725  -0.583  -6.739
  126   1HG   PRO  28          2HG       PRO  28   6.114   1.606  -8.231
  127   2HG   PRO  28          1HG       PRO  28   4.379   1.293  -8.053
  128   1HD   PRO  28          2HD       PRO  28   5.803   3.244  -6.635
  129   2HD   PRO  28          1HD       PRO  28   4.227   2.581  -6.150
  130    H    ASP  29           H        ASP  29   8.008   2.166  -5.608
  131    HA   ASP  29           HA       ASP  29  10.301   0.405  -6.215
  132   1HB   ASP  29          2HB       ASP  29  11.507   2.733  -6.190
  133   2HB   ASP  29          1HB       ASP  29  10.452   2.334  -7.544
  134    H    LYS  30           H        LYS  30   8.773   0.663  -3.579
  135    HA   LYS  30           HA       LYS  30   9.350   0.365  -1.344
  136   1HB   LYS  30          2HB       LYS  30  12.180   0.756  -2.341
  137   2HB   LYS  30          1HB       LYS  30  11.737   0.222  -0.724
  138   1HG   LYS  30          2HG       LYS  30  10.546  -1.725  -1.750
  139   2HG   LYS  30          1HG       LYS  30  11.152  -1.218  -3.328
  140   1HD   LYS  30          2HD       LYS  30  12.572  -2.983  -2.273
  141   2HD   LYS  30          1HD       LYS  30  13.457  -1.486  -2.574
  142   1HE   LYS  30          2HE       LYS  30  13.600  -0.953  -0.333
  143   2HE   LYS  30          1HE       LYS  30  12.099  -1.786   0.069
  144   1HZ   LYS  30          1HZ       LYS  30  13.458  -3.871  -0.623
  145   2HZ   LYS  30          3HZ       LYS  30  14.798  -2.887  -0.287
  146   3HZ   LYS  30          2HZ       LYS  30  13.653  -3.206   0.928
  147    H    THR  31           H        THR  31   8.216   2.618  -1.648
  148    HA   THR  31           HA       THR  31   9.860   4.533  -0.121
  149    HB   THR  31           HB       THR  31   8.377   5.578  -2.496
  150    HG1  THR  31           HG1      THR  31  10.479   5.461  -3.554
  151   1HG2  THR  31          3HG2      THR  31  10.164   6.576  -0.437
  152   2HG2  THR  31          2HG2      THR  31  10.765   6.956  -2.052
  153   3HG2  THR  31          1HG2      THR  31   9.151   7.476  -1.567
  154    H    PHE  32           H        PHE  32   8.311   6.593   0.250
  155    HA   PHE  32           HA       PHE  32   5.466   5.992   0.393
  156   1HB   PHE  32          2HB       PHE  32   7.244   5.514   2.729
  157   2HB   PHE  32          1HB       PHE  32   5.744   6.380   3.055
  158    HD1  PHE  32           HD2      PHE  32   3.545   5.356   2.277
  159    HD2  PHE  32           HD1      PHE  32   7.245   3.177   2.339
  160    HE1  PHE  32           HE2      PHE  32   2.289   3.221   2.181
  161    HE2  PHE  32           HE1      PHE  32   5.990   1.040   2.243
  162    HZ   PHE  32           HZ       PHE  32   3.511   1.062   2.164
  163    H    GLU  33           H        GLU  33   4.278   7.907   0.899
  164    HA   GLU  33           HA       GLU  33   5.801  10.281   1.779
  165   1HB   GLU  33          2HB       GLU  33   5.223   9.769  -0.977
  166   2HB   GLU  33          1HB       GLU  33   4.244  11.139  -0.448
  167   1HG   GLU  33          2HG       GLU  33   6.067  12.472  -0.071
  168   2HG   GLU  33          1HG       GLU  33   7.071  11.124   0.463
  169    H    CYS  34           H        CYS  34   4.459  10.510   3.575
  170    HA   CYS  34           HA       CYS  34   1.639  10.204   3.640
  171   1HB   CYS  34          2HB       CYS  34   3.210  10.503   5.617
  172   2HB   CYS  34          1HB       CYS  34   3.240  12.222   5.240
  173    H    LEU  35           H        LEU  35   0.352  11.233   2.152
  174    HA   LEU  35           HA       LEU  35   1.046  13.842   1.063
  175   1HB   LEU  35          2HB       LEU  35  -1.590  12.376   0.803
  176   2HB   LEU  35          1HB       LEU  35  -0.938  13.609  -0.276
  177    HG   LEU  35           HG       LEU  35   0.829  11.279   0.164
  178   1HD1  LEU  35           HD1      LEU  35  -1.687  10.487  -0.020
  179   2HD1  LEU  35           HD1      LEU  35  -1.466  10.877  -1.726
  180   3HD1  LEU  35           HD1      LEU  35  -0.432   9.674  -0.957
  181   1HD2  LEU  35           HD2      LEU  35   0.070  13.216  -1.954
  182   2HD2  LEU  35           HD2      LEU  35   1.656  12.566  -1.541
  183   3HD2  LEU  35           HD2      LEU  35   0.539  11.612  -2.516
  184    H    PHE  36           H        PHE  36   0.053  13.250   4.068
  185    HA   PHE  36           HA       PHE  36  -2.291  14.903   4.338
  186   1HB   PHE  36          2HB       PHE  36  -1.489  13.243   6.043
  187   2HB   PHE  36          1HB       PHE  36  -0.163  14.341   6.418
  188    HD1  PHE  36           HD1      PHE  36  -3.814  13.853   6.554
  189    HD2  PHE  36           HD2      PHE  36  -0.544  16.426   7.599
  190    HE1  PHE  36           HE1      PHE  36  -5.296  15.109   8.092
  191    HE2  PHE  36           HE2      PHE  36  -2.022  17.689   9.132
  192    HZ   PHE  36           HZ       PHE  36  -4.403  17.034   9.379
  193    HA   PRO  37           HA       PRO  37  -0.336  18.835   3.908
  194   1HB   PRO  37          2HB       PRO  37  -2.385  20.353   4.954
  195   2HB   PRO  37          1HB       PRO  37  -2.399  19.676   3.316
  196   1HG   PRO  37          2HG       PRO  37  -3.886  18.762   5.740
  197   2HG   PRO  37          1HG       PRO  37  -4.323  18.606   4.031
  198   1HD   PRO  37          2HD       PRO  37  -3.257  16.550   5.630
  199   2HD   PRO  37          1HD       PRO  37  -3.311  16.550   3.855
  200    H    GLY  38           H        GLY  38   1.268  19.451   5.261
  201   1HA   GLY  38          2HA       GLY  38   1.853  20.734   7.303
  202   2HA   GLY  38          1HA       GLY  38   0.626  19.794   8.161
  203    H    CYS  39           H        CYS  39   1.516  17.366   6.545
  204    HA   CYS  39           HA       CYS  39   3.338  16.299   8.497
  205   1HB   CYS  39          2HB       CYS  39   1.709  15.049   6.914
  206   2HB   CYS  39          1HB       CYS  39   2.998  15.181   5.718
  207    H    THR  40           H        THR  40   5.521  15.359   7.830
  208    HA   THR  40           HA       THR  40   6.927  16.691   5.643
  209    HB   THR  40           HB       THR  40   6.866  18.405   7.522
  210    HG1  THR  40           HG1      THR  40   8.629  18.986   6.581
  211   1HG2  THR  40          3HG2      THR  40   7.097  16.621   9.315
  212   2HG2  THR  40          2HG2      THR  40   8.797  16.498   8.858
  213   3HG2  THR  40          1HG2      THR  40   8.164  18.014   9.499
  214    H    LYS  41           H        LYS  41   6.352  13.958   6.776
  215    HA   LYS  41           HA       LYS  41   9.201  13.064   6.931
  216   1HB   LYS  41          2HB       LYS  41   6.852  12.234   8.635
  217   2HB   LYS  41          1HB       LYS  41   8.255  11.185   8.432
  218   1HG   LYS  41          2HG       LYS  41   9.673  13.214   9.110
  219   2HG   LYS  41          1HG       LYS  41   8.161  13.955   9.636
  220   1HD   LYS  41          2HD       LYS  41   9.408  11.391  10.654
  221   2HD   LYS  41          1HD       LYS  41   9.097  12.870  11.563
  222   1HE   LYS  41          2HE       LYS  41   6.608  12.190  10.495
  223   2HE   LYS  41          1HE       LYS  41   7.301  10.648  10.995
  224   1HZ   LYS  41          3HZ       LYS  41   7.851  12.549  12.974
  225   2HZ   LYS  41          2HZ       LYS  41   6.195  12.649  12.604
  226   3HZ   LYS  41          1HZ       LYS  41   6.874  11.168  13.087
  227    H    THR  42           H        THR  42   9.692  11.451   5.512
  228    HA   THR  42           HA       THR  42   7.412  10.042   4.177
  229    HB   THR  42           HB       THR  42   8.461  10.220   2.115
  230    HG1  THR  42           HG1      THR  42  10.429   9.504   2.199
  231   1HG2  THR  42          2HG2      THR  42   9.432  12.622   3.684
  232   2HG2  THR  42          1HG2      THR  42   9.432  12.520   1.923
  233   3HG2  THR  42          3HG2      THR  42   7.908  12.481   2.808
  234    H    PHE  43           H        PHE  43   8.085   7.826   3.341
  235    HA   PHE  43           HA       PHE  43  10.373   6.654   4.828
  236   1HB   PHE  43          2HB       PHE  43   7.775   5.166   4.911
  237   2HB   PHE  43          1HB       PHE  43   9.131   5.113   6.037
  238    HD1  PHE  43           HD1      PHE  43   6.371   7.315   4.814
  239    HD2  PHE  43           HD2      PHE  43   9.137   6.448   7.984
  240    HE1  PHE  43           HE1      PHE  43   5.239   8.983   6.258
  241    HE2  PHE  43           HE2      PHE  43   8.006   8.116   9.428
  242    HZ   PHE  43           HZ       PHE  43   6.056   9.383   8.566
  243    H    LYS  44           H        LYS  44   9.862   3.979   4.244
  244    HA   LYS  44           HA       LYS  44   9.211   3.698   1.404
  245   1HB   LYS  44          2HB       LYS  44  11.597   2.663   1.047
  246   2HB   LYS  44          1HB       LYS  44  11.395   4.412   0.938
  247   1HG   LYS  44          2HG       LYS  44  12.513   4.802   2.902
  248   2HG   LYS  44          1HG       LYS  44  11.936   3.310   3.647
  249   1HD   LYS  44          2HD       LYS  44  13.742   2.133   2.951
  250   2HD   LYS  44          1HD       LYS  44  13.691   2.849   1.338
  251   1HE   LYS  44          2HE       LYS  44  14.471   4.991   2.863
  252   2HE   LYS  44          1HE       LYS  44  15.259   3.655   3.703
  253   1HZ   LYS  44          2HZ       LYS  44  15.922   2.949   1.321
  254   2HZ   LYS  44          1HZ       LYS  44  15.613   4.574   0.930
  255   3HZ   LYS  44          3HZ       LYS  44  16.788   4.191   2.092
  256    H    ARG  45           H        ARG  45   8.261   1.725   1.246
  257    HA   ARG  45           HA       ARG  45   7.545  -0.417   1.931
  258   1HB   ARG  45          2HB       ARG  45  10.060  -0.555   0.971
  259   2HB   ARG  45          1HB       ARG  45  10.356  -1.131   2.612
  260   1HG   ARG  45          2HG       ARG  45   9.811  -3.126   1.553
  261   2HG   ARG  45          1HG       ARG  45   8.223  -2.622   2.133
  262   1HD   ARG  45          2HD       ARG  45   9.003  -1.536  -0.509
  263   2HD   ARG  45          1HD       ARG  45   8.735  -3.279  -0.457
  264    HE   ARG  45           HE       ARG  45   6.678  -1.296   0.435
  265   1HH1  ARG  45           HH2      ARG  45   6.076  -4.068   1.195
  266   2HH1  ARG  45           HH2      ARG  45   5.190  -4.669  -0.165
  267   1HH2  ARG  45           HH1      ARG  45   6.232  -2.141  -2.297
  268   2HH2  ARG  45           HH1      ARG  45   5.278  -3.579  -2.143
  269    H    ARG  46           H        ARG  46   7.055   1.241   3.988
  270    HA   ARG  46           HA       ARG  46   8.021  -0.298   6.363
  271   1HB   ARG  46          2HB       ARG  46   7.905   2.655   5.892
  272   2HB   ARG  46          1HB       ARG  46   7.557   2.058   7.515
  273   1HG   ARG  46          2HG       ARG  46   9.701   0.801   7.489
  274   2HG   ARG  46          1HG       ARG  46  10.057   1.479   5.899
  275   1HD   ARG  46          2HD       ARG  46  10.663   3.484   6.766
  276   2HD   ARG  46          1HD       ARG  46   9.309   3.503   7.895
  277    HE   ARG  46           HE       ARG  46  10.789   2.702   9.535
  278   1HH1  ARG  46           HH2      ARG  46  12.503   2.984   6.674
  279   2HH1  ARG  46           HH2      ARG  46  13.713   1.809   7.072
  280   1HH2  ARG  46           HH1      ARG  46  12.090   0.720   9.937
  281   2HH2  ARG  46           HH1      ARG  46  13.480   0.529   8.919
  282    H    TYR  47           H        TYR  47   6.408  -0.923   7.771
  283    HA   TYR  47           HA       TYR  47   3.629  -0.155   7.023
  284   1HB   TYR  47          2HB       TYR  47   3.603  -2.185   9.013
  285   2HB   TYR  47          1HB       TYR  47   3.173  -2.351   7.312
  286    HD1  TYR  47           HD2      TYR  47   4.888  -3.015   5.650
  287    HD2  TYR  47           HD1      TYR  47   5.712  -2.952   9.862
  288    HE1  TYR  47           HE2      TYR  47   6.902  -4.421   5.271
  289    HE2  TYR  47           HE1      TYR  47   7.727  -4.356   9.487
  290    HH   TYR  47           HH       TYR  47   8.517  -6.012   7.739
  291    H    ASN  48           H        ASN  48   5.771   1.199   8.833
  292    HA   ASN  48           HA       ASN  48   4.122   1.303  11.291
  293   1HB   ASN  48          2HB       ASN  48   6.189   2.637  12.138
  294   2HB   ASN  48          1HB       ASN  48   6.369   0.896  11.924
  295   1HD2  ASN  48           HD2      ASN  48   8.985   1.304   9.619
  296   2HD2  ASN  48           HD2      ASN  48   8.226   0.338  10.790
  297    H    ILE  49           H        ILE  49   5.513   3.120   8.679
  298    HA   ILE  49           HA       ILE  49   4.840   5.753   9.467
  299    HB   ILE  49           HB       ILE  49   5.949   6.075   7.514
  300   1HG1  ILE  49          2HG1      ILE  49   3.534   6.649   6.888
  301   2HG1  ILE  49          1HG1      ILE  49   4.648   6.368   5.551
  302   1HG2  ILE  49          1HG2      ILE  49   5.071   3.278   6.776
  303   2HG2  ILE  49          3HG2      ILE  49   6.056   4.286   5.717
  304   3HG2  ILE  49          2HG2      ILE  49   6.670   3.807   7.299
  305   1HD1  ILE  49           HD1      ILE  49   3.486   3.865   6.370
  306   2HD1  ILE  49           HD1      ILE  49   2.201   5.034   6.063
  307   3HD1  ILE  49           HD1      ILE  49   3.380   4.668   4.803
  308    H    ARG  50           H        ARG  50   2.879   3.177   8.057
  309    HA   ARG  50           HA       ARG  50   0.559   4.722   7.459
  310   1HB   ARG  50          2HB       ARG  50   1.253   1.985   7.464
  311   2HB   ARG  50          1HB       ARG  50  -0.140   2.123   8.537
  312   1HG   ARG  50          2HG       ARG  50  -1.445   2.201   6.703
  313   2HG   ARG  50          1HG       ARG  50  -0.741   3.780   6.351
  314   1HD   ARG  50          2HD       ARG  50  -0.113   2.740   4.411
  315   2HD   ARG  50          1HD       ARG  50   1.233   2.192   5.412
  316    HE   ARG  50           HE       ARG  50   0.226   0.018   5.518
  317   1HH1  ARG  50           HH2      ARG  50  -2.084   2.312   4.486
  318   2HH1  ARG  50           HH2      ARG  50  -2.991   1.190   3.528
  319   1HH2  ARG  50           HH1      ARG  50  -0.771  -1.429   4.021
  320   2HH2  ARG  50           HH1      ARG  50  -2.247  -0.929   3.265
  321    H    SER  51           H        SER  51   1.560   3.080  10.460
  322    HA   SER  51           HA       SER  51  -0.763   3.887  11.966
  323   1HB   SER  51          2HB       SER  51   0.852   2.040  12.608
  324   2HB   SER  51          1HB       SER  51   2.009   3.295  13.047
  325    HG   SER  51           HG       SER  51   0.514   4.065  14.556
  326    H    HIS  52           H        HIS  52   2.187   5.450  11.016
  327    HA   HIS  52           HA       HIS  52   2.273   7.490  13.019
  328   1HB   HIS  52          2HB       HIS  52   4.236   7.675  11.864
  329   2HB   HIS  52          1HB       HIS  52   3.547   6.947  10.420
  330    HD1  HIS  52           HD1      HIS  52   4.884  10.059  11.570
  331    HD2  HIS  52           HD2      HIS  52   1.749   9.020   9.033
  332    HE1  HIS  52           HE1      HIS  52   4.303  12.143  10.251
  333    H    ILE  53           H        ILE  53   0.652   7.315   9.868
  334    HA   ILE  53           HA       ILE  53  -0.435   9.984  10.031
  335    HB   ILE  53           HB       ILE  53  -1.360   7.522   8.501
  336   1HG1  ILE  53          2HG1      ILE  53   0.351   9.920   7.828
  337   2HG1  ILE  53          1HG1      ILE  53   0.762   8.212   7.676
  338   1HG2  ILE  53          3HG2      ILE  53  -2.249  10.413   8.319
  339   2HG2  ILE  53          2HG2      ILE  53  -2.667   9.162   7.147
  340   3HG2  ILE  53          1HG2      ILE  53  -3.235   9.037   8.812
  341   1HD1  ILE  53           HD1      ILE  53  -1.434   8.304   6.089
  342   2HD1  ILE  53           HD1      ILE  53  -0.821   9.941   5.858
  343   3HD1  ILE  53           HD1      ILE  53   0.204   8.555   5.485
  344    H    GLN  54           H        GLN  54  -1.910   6.784  10.610
  345    HA   GLN  54           HA       GLN  54  -4.406   7.589  11.510
  346   1HB   GLN  54          2HB       GLN  54  -2.780   5.236  11.782
  347   2HB   GLN  54          1HB       GLN  54  -3.556   5.575  13.329
  348   1HG   GLN  54          2HG       GLN  54  -5.549   4.888  12.540
  349   2HG   GLN  54          1HG       GLN  54  -5.432   5.993  11.170
  350   1HE2  GLN  54          2HE2      GLN  54  -3.575   3.400   9.244
  351   2HE2  GLN  54          1HE2      GLN  54  -3.262   4.991   9.747
  352    H    THR  55           H        THR  55  -1.333   8.022  13.166
  353    HA   THR  55           HA       THR  55  -2.702   8.712  15.664
  354    HB   THR  55           HB       THR  55  -0.121   9.734  15.850
  355    HG1  THR  55           HG1      THR  55   0.417   7.275  14.805
  356   1HG2  THR  55          2HG2      THR  55  -1.665   7.910  17.161
  357   2HG2  THR  55          1HG2      THR  55  -0.426   6.860  16.474
  358   3HG2  THR  55          3HG2      THR  55   0.037   8.199  17.524
  359    H    HIS  56           H        HIS  56  -0.892  10.474  13.162
  360    HA   HIS  56           HA       HIS  56  -1.997  12.980  14.248
  361   1HB   HIS  56          2HB       HIS  56  -0.130  13.969  13.486
  362   2HB   HIS  56          1HB       HIS  56   0.493  12.342  13.354
  363    HD1  HIS  56           HD1      HIS  56  -0.959  15.126  11.233
  364    HD2  HIS  56           HD2      HIS  56   1.038  11.513  10.774
  365    HE1  HIS  56           HE1      HIS  56   0.059  15.148   8.906
  366    H    LEU  57           H        LEU  57  -3.514  10.899  12.822
  367    HA   LEU  57           HA       LEU  57  -4.734  12.662  10.772
  368   1HB   LEU  57          2HB       LEU  57  -3.251  10.703   9.871
  369   2HB   LEU  57          1HB       LEU  57  -4.610   9.688  10.355
  370    HG   LEU  57           HG       LEU  57  -6.048  11.446   9.053
  371   1HD1  LEU  57           HD1      LEU  57  -3.228  12.001   8.178
  372   2HD1  LEU  57           HD1      LEU  57  -4.550  12.185   7.026
  373   3HD1  LEU  57           HD1      LEU  57  -4.533  13.139   8.509
  374   1HD2  LEU  57           HD2      LEU  57  -5.075   8.962   8.450
  375   2HD2  LEU  57           HD2      LEU  57  -6.166   9.870   7.404
  376   3HD2  LEU  57           HD2      LEU  57  -4.428   9.907   7.110
  377    H    GLU  58           H        GLU  58  -5.047  10.149  13.229
  378    HA   GLU  58           HA       GLU  58  -8.001  10.235  12.906
  379   1HB   GLU  58          2HB       GLU  58  -6.788   8.008  12.987
  380   2HB   GLU  58          1HB       GLU  58  -6.387   8.376  14.666
  381   1HG   GLU  58          2HG       GLU  58  -8.461   7.837  15.369
  382   2HG   GLU  58          1HG       GLU  58  -9.213   8.820  14.112
  383    H    ASP  59           H        ASP  59  -7.477  12.551  13.889
  384    HA   ASP  59           HA       ASP  59  -7.596  12.304  16.868
  385   1HB   ASP  59          2HB       ASP  59  -6.886  14.811  16.712
  386   2HB   ASP  59          1HB       ASP  59  -5.660  13.571  16.448
  387    H    ARG  60           H        ARG  60  -9.049  13.659  13.981
  388    HA   ARG  60           HA       ARG  60 -11.602  13.976  15.258
  389   1HB   ARG  60          2HB       ARG  60  -9.932  16.036  15.922
  390   2HB   ARG  60          1HB       ARG  60 -10.689  16.673  14.461
  391   1HG   ARG  60          2HG       ARG  60 -12.925  15.980  15.480
  392   2HG   ARG  60          1HG       ARG  60 -12.049  15.726  16.990
  393   1HD   ARG  60          2HD       ARG  60 -11.307  18.274  15.862
  394   2HD   ARG  60          1HD       ARG  60 -13.064  18.171  15.989
  395    HE   ARG  60           HE       ARG  60 -11.174  17.898  18.281
  396   1HH1  ARG  60           HH1      ARG  60 -13.484  16.443  19.087
  397   2HH1  ARG  60           HH1      ARG  60 -14.597  17.645  19.651
  398   1HH2  ARG  60           HH2      ARG  60 -12.967  20.270  18.078
  399   2HH2  ARG  60           HH2      ARG  60 -14.305  19.812  19.078
   
  No H/Q in entry =         399
  Start of MODEL   22
    1   1H    THR  14          3H        THR  14 -17.203  -0.744   9.275
    2   2H    THR  14          2H        THR  14 -16.291  -2.149   8.987
    3   3H    THR  14          1H        THR  14 -17.934  -2.270   9.405
    4    HA   THR  14           HA       THR  14 -17.529  -1.492  11.602
    5    HB   THR  14           HB       THR  14 -15.815  -3.223  12.342
    6    HG1  THR  14           HG1      THR  14 -15.342  -4.663  10.459
    7   1HG2  THR  14          2HG2      THR  14 -18.263  -3.711  10.724
    8   2HG2  THR  14          1HG2      THR  14 -17.242  -5.110  11.061
    9   3HG2  THR  14          3HG2      THR  14 -17.906  -4.163  12.392
   10    H    LEU  15           H        LEU  15 -14.650  -1.306   9.533
   11    HA   LEU  15           HA       LEU  15 -13.659   0.884  11.289
   12   1HB   LEU  15          2HB       LEU  15 -11.888  -1.340  10.232
   13   2HB   LEU  15          1HB       LEU  15 -11.405  -0.014  11.291
   14    HG   LEU  15           HG       LEU  15 -13.530  -2.034  12.041
   15   1HD1  LEU  15           HD1      LEU  15 -11.335  -3.146  11.703
   16   2HD1  LEU  15           HD1      LEU  15 -10.596  -1.989  12.811
   17   3HD1  LEU  15           HD1      LEU  15 -11.806  -3.129  13.402
   18   1HD2  LEU  15           HD2      LEU  15 -12.971   0.432  13.096
   19   2HD2  LEU  15           HD2      LEU  15 -13.665  -0.903  14.017
   20   3HD2  LEU  15           HD2      LEU  15 -11.928  -0.603  14.072
   21    HA   PRO  16           HA       PRO  16 -13.479   2.029   6.853
   22   1HB   PRO  16          2HB       PRO  16 -14.603   4.508   7.239
   23   2HB   PRO  16          1HB       PRO  16 -15.549   3.039   6.944
   24   1HG   PRO  16          2HG       PRO  16 -15.155   4.537   9.492
   25   2HG   PRO  16          1HG       PRO  16 -16.507   3.504   8.995
   26   1HD   PRO  16          2HD       PRO  16 -14.418   2.767  10.759
   27   2HD   PRO  16          1HD       PRO  16 -15.581   1.661   9.997
   28    H    ARG  17           H        ARG  17 -11.504   2.819   6.209
   29    HA   ARG  17           HA       ARG  17 -10.298   5.030   7.801
   30   1HB   ARG  17          2HB       ARG  17  -9.023   2.517   6.728
   31   2HB   ARG  17          1HB       ARG  17  -8.061   3.955   7.072
   32   1HG   ARG  17          2HG       ARG  17  -9.857   2.521   9.051
   33   2HG   ARG  17          1HG       ARG  17  -8.096   2.441   9.018
   34   1HD   ARG  17          2HD       ARG  17  -7.987   4.317  10.250
   35   2HD   ARG  17          1HD       ARG  17  -8.843   5.196   8.983
   36    HE   ARG  17           HE       ARG  17 -10.877   3.903  10.313
   37   1HH1  ARG  17           HH2      ARG  17  -8.563   4.255  12.461
   38   2HH1  ARG  17           HH2      ARG  17  -9.200   5.619  13.318
   39   1HH2  ARG  17           HH1      ARG  17 -11.564   6.372  10.896
   40   2HH2  ARG  17           HH1      ARG  17 -10.899   6.818  12.432
   41    H    GLY  18           H        GLY  18 -11.675   6.023   5.869
   42   1HA   GLY  18          2HA       GLY  18 -10.297   5.949   3.280
   43   2HA   GLY  18          1HA       GLY  18 -11.715   6.922   3.671
   44    H    SER  19           H        SER  19  -9.532   7.385   6.128
   45    HA   SER  19           HA       SER  19  -8.651   9.944   4.919
   46   1HB   SER  19          2HB       SER  19  -9.490  10.546   6.973
   47   2HB   SER  19          1HB       SER  19  -9.153   8.970   7.684
   48    HG   SER  19           HG       SER  19  -7.778  11.106   8.052
   49    H    ILE  20           H        ILE  20  -7.436   6.954   6.308
   50    HA   ILE  20           HA       ILE  20  -4.658   7.789   6.356
   51    HB   ILE  20           HB       ILE  20  -5.567   4.924   6.148
   52   1HG1  ILE  20          2HG1      ILE  20  -7.099   5.792   7.762
   53   2HG1  ILE  20          1HG1      ILE  20  -5.788   5.071   8.697
   54   1HG2  ILE  20          1HG2      ILE  20  -3.105   6.058   6.453
   55   2HG2  ILE  20          3HG2      ILE  20  -3.579   5.840   8.138
   56   3HG2  ILE  20          2HG2      ILE  20  -3.528   4.452   7.051
   57   1HD1  ILE  20           HD1      ILE  20  -4.721   7.410   8.686
   58   2HD1  ILE  20           HD1      ILE  20  -6.292   7.995   8.138
   59   3HD1  ILE  20           HD1      ILE  20  -6.146   7.191   9.701
   60    H    ASP  21           H        ASP  21  -6.567   5.714   4.194
   61    HA   ASP  21           HA       ASP  21  -4.426   5.373   2.281
   62   1HB   ASP  21          2HB       ASP  21  -7.427   5.043   1.965
   63   2HB   ASP  21          1HB       ASP  21  -6.223   4.505   0.793
   64    H    LYS  22           H        LYS  22  -6.659   7.915   2.925
   65    HA   LYS  22           HA       LYS  22  -6.516   9.050   0.218
   66   1HB   LYS  22          2HB       LYS  22  -8.551   9.354   1.579
   67   2HB   LYS  22          1HB       LYS  22  -7.610  10.211   2.800
   68   1HG   LYS  22          2HG       LYS  22  -7.357  12.095   1.485
   69   2HG   LYS  22          1HG       LYS  22  -7.451  11.184  -0.022
   70   1HD   LYS  22          2HD       LYS  22  -9.522  12.255  -0.010
   71   2HD   LYS  22          1HD       LYS  22  -9.924  10.716   0.754
   72   1HE   LYS  22          2HE       LYS  22 -10.401  11.706   2.731
   73   2HE   LYS  22          1HE       LYS  22  -8.946  12.700   2.671
   74   1HZ   LYS  22          1HZ       LYS  22 -11.295  13.280   0.974
   75   2HZ   LYS  22          3HZ       LYS  22 -11.170  13.885   2.554
   76   3HZ   LYS  22          2HZ       LYS  22 -10.010  14.310   1.388
   77    H    TYR  23           H        TYR  23  -4.322   8.830   2.652
   78    HA   TYR  23           HA       TYR  23  -2.884  11.221   1.671
   79   1HB   TYR  23          2HB       TYR  23  -3.772  10.786   4.518
   80   2HB   TYR  23          1HB       TYR  23  -2.306  11.704   4.169
   81    HD1  TYR  23           HD2      TYR  23  -2.741  13.327   1.947
   82    HD2  TYR  23           HD1      TYR  23  -5.635  12.130   4.886
   83    HE1  TYR  23           HE2      TYR  23  -4.115  15.319   1.405
   84    HE2  TYR  23           HE1      TYR  23  -7.009  14.123   4.345
   85    HH   TYR  23           HH       TYR  23  -7.185  15.955   3.111
   86    H    VAL  24           H        VAL  24  -2.686   8.174   1.679
   87    HA   VAL  24           HA       VAL  24   0.065   8.018   2.845
   88    HB   VAL  24           HB       VAL  24  -1.740   6.584   3.942
   89   1HG1  VAL  24          1HG1      VAL  24  -2.656   6.045   1.533
   90   2HG1  VAL  24          3HG1      VAL  24  -1.435   4.772   1.568
   91   3HG1  VAL  24          2HG1      VAL  24  -2.709   4.806   2.787
   92   1HG2  VAL  24          3HG2      VAL  24   0.619   5.190   2.635
   93   2HG2  VAL  24          2HG2      VAL  24   0.671   6.096   4.147
   94   3HG2  VAL  24          1HG2      VAL  24  -0.262   4.603   4.046
   95    H    LYS  25           H        LYS  25   1.552   7.949   1.231
   96    HA   LYS  25           HA       LYS  25   0.725   6.778  -1.389
   97   1HB   LYS  25          2HB       LYS  25   1.615   9.185  -1.217
   98   2HB   LYS  25          1HB       LYS  25   3.187   8.456  -0.886
   99   1HG   LYS  25          2HG       LYS  25   3.022   7.176  -3.005
  100   2HG   LYS  25          1HG       LYS  25   1.482   7.965  -3.345
  101   1HD   LYS  25          2HD       LYS  25   3.632   9.850  -2.672
  102   2HD   LYS  25          1HD       LYS  25   3.949   8.915  -4.134
  103   1HE   LYS  25          2HE       LYS  25   2.184   9.839  -5.277
  104   2HE   LYS  25          1HE       LYS  25   1.206  10.026  -3.822
  105   1HZ   LYS  25          1HZ       LYS  25   3.620  11.654  -4.384
  106   2HZ   LYS  25          3HZ       LYS  25   2.051  12.140  -4.808
  107   3HZ   LYS  25          2HZ       LYS  25   2.456  11.911  -3.174
  108    H    GLU  26           H        GLU  26   1.290   4.638  -1.410
  109    HA   GLU  26           HA       GLU  26   3.828   3.807  -0.115
  110   1HB   GLU  26          2HB       GLU  26   1.784   2.039  -1.481
  111   2HB   GLU  26          1HB       GLU  26   3.017   1.558  -0.315
  112   1HG   GLU  26          2HG       GLU  26   1.533   1.902   1.341
  113   2HG   GLU  26          1HG       GLU  26   1.504   3.613   0.916
  114    H    MET  27           H        MET  27   5.340   4.642  -1.630
  115    HA   MET  27           HA       MET  27   5.146   4.231  -4.461
  116   1HB   MET  27          2HB       MET  27   7.637   4.636  -2.783
  117   2HB   MET  27          1HB       MET  27   7.492   4.910  -4.520
  118   1HG   MET  27          2HG       MET  27   5.387   6.338  -3.205
  119   2HG   MET  27          1HG       MET  27   6.910   6.734  -2.408
  120   1HE   MET  27          2HE       MET  27   8.141   8.153  -2.781
  121   2HE   MET  27          1HE       MET  27   9.063   8.382  -4.264
  122   3HE   MET  27          3HE       MET  27   7.754   9.497  -3.852
  123    HA   PRO  28           HA       PRO  28   6.206  -0.098  -4.380
  124   1HB   PRO  28          2HB       PRO  28   6.172  -0.419  -7.117
  125   2HB   PRO  28          1HB       PRO  28   4.714  -0.405  -6.110
  126   1HG   PRO  28          2HG       PRO  28   5.783   1.733  -7.903
  127   2HG   PRO  28          1HG       PRO  28   4.107   1.389  -7.440
  128   1HD   PRO  28          2HD       PRO  28   5.689   3.445  -6.363
  129   2HD   PRO  28          1HD       PRO  28   4.204   2.802  -5.630
  130    H    ASP  29           H        ASP  29   7.977   2.528  -5.601
  131    HA   ASP  29           HA       ASP  29  10.240   0.914  -6.564
  132   1HB   ASP  29          2HB       ASP  29  11.323   3.209  -6.792
  133   2HB   ASP  29          1HB       ASP  29   9.875   2.961  -7.768
  134    H    LYS  30           H        LYS  30   9.105   1.232  -3.644
  135    HA   LYS  30           HA       LYS  30  10.140   0.765  -1.592
  136   1HB   LYS  30          2HB       LYS  30  12.718   1.720  -2.815
  137   2HB   LYS  30          1HB       LYS  30  12.520   0.722  -1.378
  138   1HG   LYS  30          2HG       LYS  30  11.206  -0.791  -3.216
  139   2HG   LYS  30          1HG       LYS  30  12.432  -0.042  -4.239
  140   1HD   LYS  30          2HD       LYS  30  13.540  -1.951  -3.455
  141   2HD   LYS  30          1HD       LYS  30  14.079  -0.711  -2.322
  142   1HE   LYS  30          2HE       LYS  30  13.094  -1.760  -0.588
  143   2HE   LYS  30          1HE       LYS  30  11.568  -1.894  -1.463
  144   1HZ   LYS  30          3HZ       LYS  30  13.717  -3.647  -2.337
  145   2HZ   LYS  30          2HZ       LYS  30  13.049  -3.987  -0.812
  146   3HZ   LYS  30          1HZ       LYS  30  12.056  -3.955  -2.190
  147    H    THR  31           H        THR  31   8.687   2.861  -1.582
  148    HA   THR  31           HA       THR  31  10.158   4.839  -0.030
  149    HB   THR  31           HB       THR  31   8.731   6.071  -2.323
  150    HG1  THR  31           HG1      THR  31  11.407   5.313  -2.643
  151   1HG2  THR  31          2HG2      THR  31  10.919   6.687  -0.413
  152   2HG2  THR  31          1HG2      THR  31  11.048   7.408  -2.017
  153   3HG2  THR  31          3HG2      THR  31   9.629   7.725  -1.019
  154    H    PHE  32           H        PHE  32   8.535   6.721   0.507
  155    HA   PHE  32           HA       PHE  32   5.700   5.997   0.376
  156   1HB   PHE  32          2HB       PHE  32   7.355   5.337   2.716
  157   2HB   PHE  32          1HB       PHE  32   5.939   6.308   3.112
  158    HD1  PHE  32           HD1      PHE  32   7.105   3.136   1.604
  159    HD2  PHE  32           HD2      PHE  32   3.702   5.437   2.859
  160    HE1  PHE  32           HE1      PHE  32   5.665   1.130   1.374
  161    HE2  PHE  32           HE2      PHE  32   2.262   3.432   2.630
  162    HZ   PHE  32           HZ       PHE  32   3.243   1.279   1.888
  163    H    GLU  33           H        GLU  33   4.407   7.837   0.818
  164    HA   GLU  33           HA       GLU  33   5.784  10.233   1.896
  165   1HB   GLU  33          2HB       GLU  33   5.268   9.812  -0.882
  166   2HB   GLU  33          1HB       GLU  33   4.195  11.092  -0.314
  167   1HG   GLU  33          2HG       GLU  33   6.090  12.315   0.625
  168   2HG   GLU  33          1HG       GLU  33   7.187  11.011   0.170
  169    H    CYS  34           H        CYS  34   4.474  10.748   3.572
  170    HA   CYS  34           HA       CYS  34   1.642  10.139   3.642
  171   1HB   CYS  34          2HB       CYS  34   3.169  10.375   5.649
  172   2HB   CYS  34          1HB       CYS  34   3.183  12.110   5.357
  173    H    LEU  35           H        LEU  35   0.430  11.177   2.084
  174    HA   LEU  35           HA       LEU  35   1.013  13.849   1.155
  175   1HB   LEU  35          2HB       LEU  35  -1.460  12.130   0.818
  176   2HB   LEU  35          1HB       LEU  35  -1.148  13.632  -0.056
  177    HG   LEU  35           HG       LEU  35   1.187  12.034  -0.304
  178   1HD1  LEU  35           HD1      LEU  35  -1.404  10.531  -0.545
  179   2HD1  LEU  35           HD1      LEU  35  -0.072  10.143  -1.633
  180   3HD1  LEU  35           HD1      LEU  35   0.140   9.988   0.111
  181   1HD2  LEU  35           HD2      LEU  35  -1.027  12.996  -2.106
  182   2HD2  LEU  35           HD2      LEU  35   0.658  13.518  -2.045
  183   3HD2  LEU  35           HD2      LEU  35   0.243  11.952  -2.745
  184    H    PHE  36           H        PHE  36  -0.159  13.011   4.116
  185    HA   PHE  36           HA       PHE  36  -2.488  14.582   4.466
  186   1HB   PHE  36          2HB       PHE  36  -1.613  13.113   6.226
  187   2HB   PHE  36          1HB       PHE  36  -0.194  14.146   6.399
  188    HD1  PHE  36           HD2      PHE  36  -0.455  16.500   7.226
  189    HD2  PHE  36           HD1      PHE  36  -3.707  13.702   7.209
  190    HE1  PHE  36           HE2      PHE  36  -1.688  17.924   8.834
  191    HE2  PHE  36           HE1      PHE  36  -4.943  15.122   8.817
  192    HZ   PHE  36           HZ       PHE  36  -3.938  17.240   9.629
  193    HA   PRO  37           HA       PRO  37  -0.909  18.646   3.819
  194   1HB   PRO  37          2HB       PRO  37  -3.022  20.025   4.923
  195   2HB   PRO  37          1HB       PRO  37  -3.070  19.281   3.315
  196   1HG   PRO  37          2HG       PRO  37  -4.341  18.354   5.852
  197   2HG   PRO  37          1HG       PRO  37  -4.847  18.075   4.177
  198   1HD   PRO  37          2HD       PRO  37  -3.510  16.208   5.814
  199   2HD   PRO  37          1HD       PRO  37  -3.678  16.102   4.048
  200    H    GLY  38           H        GLY  38   0.802  19.136   5.110
  201   1HA   GLY  38          2HA       GLY  38   1.421  20.644   7.016
  202   2HA   GLY  38          1HA       GLY  38   0.248  19.744   7.986
  203    H    CYS  39           H        CYS  39   1.125  17.252   6.450
  204    HA   CYS  39           HA       CYS  39   3.068  16.337   8.387
  205   1HB   CYS  39          2HB       CYS  39   1.375  14.899   7.161
  206   2HB   CYS  39          1HB       CYS  39   2.397  15.049   5.731
  207    H    THR  40           H        THR  40   5.234  15.446   7.735
  208    HA   THR  40           HA       THR  40   6.447  16.494   5.288
  209    HB   THR  40           HB       THR  40   8.014  17.400   7.595
  210    HG1  THR  40           HG1      THR  40   6.644  18.944   8.274
  211   1HG2  THR  40          2HG2      THR  40   6.958  18.676   5.060
  212   2HG2  THR  40          1HG2      THR  40   8.045  19.483   6.189
  213   3HG2  THR  40          3HG2      THR  40   8.580  18.039   5.330
  214    H    LYS  41           H        LYS  41   6.073  13.874   6.429
  215    HA   LYS  41           HA       LYS  41   8.941  13.125   6.840
  216   1HB   LYS  41          2HB       LYS  41   7.094  12.931   8.816
  217   2HB   LYS  41          1HB       LYS  41   6.865  11.368   8.031
  218   1HG   LYS  41          2HG       LYS  41   8.762  10.585   8.948
  219   2HG   LYS  41          1HG       LYS  41   9.683  11.919   8.249
  220   1HD   LYS  41          2HD       LYS  41   9.856  11.901  10.719
  221   2HD   LYS  41          1HD       LYS  41   9.055  13.362  10.140
  222   1HE   LYS  41          2HE       LYS  41   6.846  12.145  10.512
  223   2HE   LYS  41          1HE       LYS  41   7.771  10.911  11.364
  224   1HZ   LYS  41          2HZ       LYS  41   8.470  13.533  12.228
  225   2HZ   LYS  41          1HZ       LYS  41   6.807  13.246  12.422
  226   3HZ   LYS  41          3HZ       LYS  41   7.935  12.205  13.142
  227    H    THR  42           H        THR  42   9.638  11.382   5.620
  228    HA   THR  42           HA       THR  42   7.570   9.970   3.980
  229    HB   THR  42           HB       THR  42   8.875  10.147   2.051
  230    HG1  THR  42           HG1      THR  42  10.935   9.880   2.199
  231   1HG2  THR  42          1HG2      THR  42   8.014  12.375   2.883
  232   2HG2  THR  42          3HG2      THR  42   9.631  12.684   3.515
  233   3HG2  THR  42          2HG2      THR  42   9.386  12.480   1.780
  234    H    PHE  43           H        PHE  43   7.995   7.734   3.596
  235    HA   PHE  43           HA       PHE  43  10.336   6.611   5.078
  236   1HB   PHE  43          2HB       PHE  43   7.766   5.090   5.059
  237   2HB   PHE  43          1HB       PHE  43   9.039   5.122   6.278
  238    HD1  PHE  43           HD1      PHE  43   6.430   7.329   4.728
  239    HD2  PHE  43           HD2      PHE  43   8.749   6.397   8.221
  240    HE1  PHE  43           HE1      PHE  43   5.162   9.023   6.021
  241    HE2  PHE  43           HE2      PHE  43   7.481   8.091   9.514
  242    HZ   PHE  43           HZ       PHE  43   5.689   9.404   8.414
  243    H    LYS  44           H        LYS  44   9.774   3.906   4.498
  244    HA   LYS  44           HA       LYS  44   9.775   3.868   1.509
  245   1HB   LYS  44          2HB       LYS  44  11.555   2.148   3.255
  246   2HB   LYS  44          1HB       LYS  44  11.613   2.314   1.500
  247   1HG   LYS  44          2HG       LYS  44  11.808   4.925   2.670
  248   2HG   LYS  44          1HG       LYS  44  12.992   3.869   3.443
  249   1HD   LYS  44          2HD       LYS  44  13.509   3.097   0.990
  250   2HD   LYS  44          1HD       LYS  44  12.744   4.623   0.544
  251   1HE   LYS  44          2HE       LYS  44  14.307   5.825   2.053
  252   2HE   LYS  44          1HE       LYS  44  15.099   4.294   2.427
  253   1HZ   LYS  44          3HZ       LYS  44  15.050   4.327  -0.281
  254   2HZ   LYS  44          2HZ       LYS  44  15.336   5.958   0.099
  255   3HZ   LYS  44          1HZ       LYS  44  16.381   4.752   0.681
  256    H    ARG  45           H        ARG  45  10.011   1.110   1.184
  257    HA   ARG  45           HA       ARG  45   7.384   0.175   1.446
  258   1HB   ARG  45          2HB       ARG  45   9.562  -0.832   0.262
  259   2HB   ARG  45          1HB       ARG  45   9.584  -1.825   1.719
  260   1HG   ARG  45          2HG       ARG  45   7.497  -2.789   1.252
  261   2HG   ARG  45          1HG       ARG  45   7.030  -1.482   0.164
  262   1HD   ARG  45          2HD       ARG  45   8.105  -2.407  -1.619
  263   2HD   ARG  45          1HD       ARG  45   9.463  -2.960  -0.637
  264    HE   ARG  45           HE       ARG  45   7.059  -4.485  -0.089
  265   1HH1  ARG  45           HH2      ARG  45   7.644  -4.371  -3.146
  266   2HH1  ARG  45           HH2      ARG  45   8.533  -5.846  -3.335
  267   1HH2  ARG  45           HH1      ARG  45   9.091  -6.257   0.062
  268   2HH2  ARG  45           HH1      ARG  45   9.351  -6.914  -1.519
  269    H    ARG  46           H        ARG  46   6.493   0.538   3.508
  270    HA   ARG  46           HA       ARG  46   7.054  -1.494   5.502
  271   1HB   ARG  46          2HB       ARG  46   8.359   1.119   5.715
  272   2HB   ARG  46          1HB       ARG  46   7.382   0.730   7.130
  273   1HG   ARG  46          2HG       ARG  46   8.526  -1.582   7.055
  274   2HG   ARG  46          1HG       ARG  46   9.690  -0.826   5.967
  275   1HD   ARG  46          2HD       ARG  46   8.990   0.327   8.675
  276   2HD   ARG  46          1HD       ARG  46  10.328  -0.795   8.430
  277    HE   ARG  46           HE       ARG  46  10.174   1.959   7.308
  278   1HH1  ARG  46           HH2      ARG  46  11.659  -0.493   5.940
  279   2HH1  ARG  46           HH2      ARG  46  13.288  -0.096   6.379
  280   1HH2  ARG  46           HH1      ARG  46  12.358   2.270   8.736
  281   2HH2  ARG  46           HH1      ARG  46  13.682   1.466   7.964
  282    H    TYR  47           H        TYR  47   5.385  -1.568   7.084
  283    HA   TYR  47           HA       TYR  47   3.045   0.157   6.435
  284   1HB   TYR  47          2HB       TYR  47   2.304  -1.874   8.277
  285   2HB   TYR  47          1HB       TYR  47   1.865  -1.766   6.575
  286    HD1  TYR  47           HD2      TYR  47   3.190  -2.924   4.859
  287    HD2  TYR  47           HD1      TYR  47   4.088  -3.313   9.039
  288    HE1  TYR  47           HE2      TYR  47   4.603  -4.907   4.366
  289    HE2  TYR  47           HE1      TYR  47   5.503  -5.295   8.550
  290    HH   TYR  47           HH       TYR  47   5.356  -7.095   6.075
  291    H    ASN  48           H        ASN  48   5.286   1.059   8.086
  292    HA   ASN  48           HA       ASN  48   4.019   1.071  10.764
  293   1HB   ASN  48          2HB       ASN  48   6.826   1.524   9.789
  294   2HB   ASN  48          1HB       ASN  48   6.322   2.216  11.331
  295   1HD2  ASN  48           HD2      ASN  48   6.586  -1.868  10.969
  296   2HD2  ASN  48           HD2      ASN  48   6.476  -0.914   9.570
  297    H    ILE  49           H        ILE  49   4.802   3.029   8.029
  298    HA   ILE  49           HA       ILE  49   4.531   5.580   9.384
  299    HB   ILE  49           HB       ILE  49   5.268   6.432   7.435
  300   1HG1  ILE  49          2HG1      ILE  49   2.822   6.501   6.752
  301   2HG1  ILE  49          1HG1      ILE  49   3.977   6.467   5.421
  302   1HG2  ILE  49          1HG2      ILE  49   6.382   4.226   7.255
  303   2HG2  ILE  49          3HG2      ILE  49   5.023   3.640   6.294
  304   3HG2  ILE  49          2HG2      ILE  49   6.041   4.939   5.678
  305   1HD1  ILE  49           HD1      ILE  49   3.402   3.771   6.147
  306   2HD1  ILE  49           HD1      ILE  49   1.869   4.624   5.969
  307   3HD1  ILE  49           HD1      ILE  49   3.023   4.597   4.636
  308    H    ARG  50           H        ARG  50   2.348   3.352   7.750
  309    HA   ARG  50           HA       ARG  50   0.059   4.969   7.505
  310   1HB   ARG  50          2HB       ARG  50  -1.218   2.802   8.010
  311   2HB   ARG  50          1HB       ARG  50  -0.068   2.728   6.675
  312   1HG   ARG  50          2HG       ARG  50   0.797   0.928   7.742
  313   2HG   ARG  50          1HG       ARG  50   1.507   2.098   8.856
  314   1HD   ARG  50          2HD       ARG  50   0.349   0.928  10.433
  315   2HD   ARG  50          1HD       ARG  50  -1.015   1.896   9.873
  316    HE   ARG  50           HE       ARG  50  -1.074  -0.252   8.166
  317   1HH1  ARG  50           HH2      ARG  50   0.176  -0.811  11.189
  318   2HH1  ARG  50           HH2      ARG  50  -1.073  -1.887  11.720
  319   1HH2  ARG  50           HH1      ARG  50  -3.140  -1.249   9.009
  320   2HH2  ARG  50           HH1      ARG  50  -2.953  -2.135  10.485
  321    H    SER  51           H        SER  51   1.263   3.199  10.354
  322    HA   SER  51           HA       SER  51  -0.852   4.040  12.108
  323   1HB   SER  51          2HB       SER  51   0.478   2.209  12.861
  324   2HB   SER  51          1HB       SER  51   1.979   3.086  12.580
  325    HG   SER  51           HG       SER  51  -0.026   3.779  14.474
  326    H    HIS  52           H        HIS  52   2.318   5.384  11.274
  327    HA   HIS  52           HA       HIS  52   2.446   7.492  13.130
  328   1HB   HIS  52          2HB       HIS  52   4.368   7.639  11.899
  329   2HB   HIS  52          1HB       HIS  52   3.614   6.892  10.496
  330    HD1  HIS  52           HD1      HIS  52   5.074   9.994  11.494
  331    HD2  HIS  52           HD2      HIS  52   1.772   8.983   9.166
  332    HE1  HIS  52           HE1      HIS  52   4.471  12.063  10.161
  333    H    ILE  53           H        ILE  53   0.672   7.311  10.078
  334    HA   ILE  53           HA       ILE  53  -0.319  10.013  10.185
  335    HB   ILE  53           HB       ILE  53  -1.554   7.547   8.887
  336   1HG1  ILE  53          2HG1      ILE  53   0.396   9.609   7.818
  337   2HG1  ILE  53          1HG1      ILE  53   0.714   7.893   8.064
  338   1HG2  ILE  53          1HG2      ILE  53  -2.277  10.384   8.989
  339   2HG2  ILE  53          3HG2      ILE  53  -2.166   9.750   7.351
  340   3HG2  ILE  53          2HG2      ILE  53  -3.250   8.994   8.518
  341   1HD1  ILE  53           HD1      ILE  53  -1.404   8.988   6.191
  342   2HD1  ILE  53           HD1      ILE  53   0.195   8.449   5.681
  343   3HD1  ILE  53           HD1      ILE  53  -0.943   7.297   6.378
  344    H    GLN  54           H        GLN  54  -2.032   6.942  10.779
  345    HA   GLN  54           HA       GLN  54  -4.370   7.844  11.892
  346   1HB   GLN  54          2HB       GLN  54  -3.047   5.402  11.842
  347   2HB   GLN  54          1HB       GLN  54  -3.223   5.735  13.565
  348   1HG   GLN  54          2HG       GLN  54  -5.439   5.330  13.498
  349   2HG   GLN  54          1HG       GLN  54  -5.650   6.406  12.116
  350   1HE2  GLN  54          2HE2      GLN  54  -4.669   3.535   9.881
  351   2HE2  GLN  54          1HE2      GLN  54  -3.952   5.030  10.241
  352    H    THR  55           H        THR  55  -1.175   8.061  13.353
  353    HA   THR  55           HA       THR  55  -2.289   8.795  15.954
  354    HB   THR  55           HB       THR  55   0.510   8.944  14.804
  355    HG1  THR  55           HG1      THR  55  -0.402   7.427  16.991
  356   1HG2  THR  55          2HG2      THR  55  -0.531   9.730  17.535
  357   2HG2  THR  55          1HG2      THR  55   1.173   9.429  17.193
  358   3HG2  THR  55          3HG2      THR  55   0.331  10.751  16.384
  359    H    HIS  56           H        HIS  56  -0.688  10.529  13.294
  360    HA   HIS  56           HA       HIS  56  -1.589  13.051  14.522
  361   1HB   HIS  56          2HB       HIS  56   0.191  14.032  13.546
  362   2HB   HIS  56          1HB       HIS  56   0.791  12.394  13.451
  363    HD1  HIS  56           HD1      HIS  56  -0.962  14.990  11.279
  364    HD2  HIS  56           HD2      HIS  56   1.309  11.531  10.910
  365    HE1  HIS  56           HE1      HIS  56  -0.121  14.922   8.882
  366    H    LEU  57           H        LEU  57  -3.267  11.017  13.136
  367    HA   LEU  57           HA       LEU  57  -4.730  12.935  11.438
  368   1HB   LEU  57          2HB       LEU  57  -3.404  10.506  10.462
  369   2HB   LEU  57          1HB       LEU  57  -5.114  10.586  10.047
  370    HG   LEU  57           HG       LEU  57  -4.601  13.030   9.341
  371   1HD1  LEU  57           HD1      LEU  57  -1.965  12.007  10.069
  372   2HD1  LEU  57           HD1      LEU  57  -2.004  12.619   8.416
  373   3HD1  LEU  57           HD1      LEU  57  -2.472  13.666   9.755
  374   1HD2  LEU  57           HD2      LEU  57  -4.470  10.512   8.002
  375   2HD2  LEU  57           HD2      LEU  57  -4.883  12.084   7.316
  376   3HD2  LEU  57           HD2      LEU  57  -3.206  11.541   7.327
  377    H    GLU  58           H        GLU  58  -4.711  10.538  13.857
  378    HA   GLU  58           HA       GLU  58  -7.044   9.087  13.624
  379   1HB   GLU  58          2HB       GLU  58  -5.344   9.619  15.685
  380   2HB   GLU  58          1HB       GLU  58  -6.785  10.483  16.224
  381   1HG   GLU  58          2HG       GLU  58  -8.134   8.491  16.058
  382   2HG   GLU  58          1HG       GLU  58  -6.825   7.608  15.271
  383    H    ASP  59           H        ASP  59  -6.971  12.339  15.137
  384    HA   ASP  59           HA       ASP  59  -8.751  13.863  15.435
  385   1HB   ASP  59          2HB       ASP  59  -8.028  13.859  12.885
  386   2HB   ASP  59          1HB       ASP  59  -9.637  13.173  12.656
  387    H    ARG  60           H        ARG  60  -9.478  11.492  16.582
  388    HA   ARG  60           HA       ARG  60 -11.327  10.150  17.144
  389   1HB   ARG  60          2HB       ARG  60 -12.135  12.863  16.935
  390   2HB   ARG  60          1HB       ARG  60 -13.418  11.894  16.209
  391   1HG   ARG  60          2HG       ARG  60 -12.420  10.659  18.645
  392   2HG   ARG  60          1HG       ARG  60 -12.991  12.300  18.948
  393   1HD   ARG  60          2HD       ARG  60 -15.084  11.461  18.960
  394   2HD   ARG  60          1HD       ARG  60 -14.903  11.203  17.225
  395    HE   ARG  60           HE       ARG  60 -13.953   9.082  19.082
  396   1HH1  ARG  60           HH1      ARG  60 -13.982   8.284  16.333
  397   2HH1  ARG  60           HH1      ARG  60 -15.555   7.603  16.089
  398   1HH2  ARG  60           HH2      ARG  60 -16.916   9.058  18.928
  399   2HH2  ARG  60           HH2      ARG  60 -17.217   8.040  17.560
   
  No H/Q in entry =         399
  Start of MODEL   23
    1   1H    THR  14          1H        THR  14  -6.497  -5.834   8.142
    2   2H    THR  14          3H        THR  14  -7.037  -6.208   9.706
    3   3H    THR  14          2H        THR  14  -8.103  -6.331   8.389
    4    HA   THR  14           HA       THR  14  -8.708  -4.343   9.417
    5    HB   THR  14           HB       THR  14  -7.074  -2.686  10.149
    6    HG1  THR  14           HG1      THR  14  -5.304  -4.461   8.865
    7   1HG2  THR  14          1HG2      THR  14  -7.522  -5.087  11.357
    8   2HG2  THR  14          3HG2      THR  14  -5.765  -5.112  11.216
    9   3HG2  THR  14          2HG2      THR  14  -6.561  -3.793  12.073
   10    H    LEU  15           H        LEU  15  -9.488  -2.821   8.002
   11    HA   LEU  15           HA       LEU  15  -7.818  -2.079   5.655
   12   1HB   LEU  15          2HB       LEU  15 -10.020  -3.877   5.544
   13   2HB   LEU  15          1HB       LEU  15 -10.546  -2.363   4.806
   14    HG   LEU  15           HG       LEU  15  -9.505  -3.817   3.120
   15   1HD1  LEU  15           HD1      LEU  15  -9.215  -1.332   3.004
   16   2HD1  LEU  15           HD1      LEU  15  -7.678  -1.510   3.850
   17   3HD1  LEU  15           HD1      LEU  15  -7.891  -2.217   2.248
   18   1HD2  LEU  15           HD2      LEU  15  -7.833  -4.569   5.193
   19   2HD2  LEU  15           HD2      LEU  15  -7.586  -4.969   3.493
   20   3HD2  LEU  15           HD2      LEU  15  -6.782  -3.565   4.193
   21    HA   PRO  16           HA       PRO  16 -10.193   1.418   7.610
   22   1HB   PRO  16          2HB       PRO  16  -7.994   2.813   8.488
   23   2HB   PRO  16          1HB       PRO  16  -8.847   1.609   9.470
   24   1HG   PRO  16          2HG       PRO  16  -6.214   1.379   8.088
   25   2HG   PRO  16          1HG       PRO  16  -6.806   0.524   9.521
   26   1HD   PRO  16          2HD       PRO  16  -6.677  -0.530   6.896
   27   2HD   PRO  16          1HD       PRO  16  -7.558  -1.240   8.265
   28    H    ARG  17           H        ARG  17 -10.500   3.398   6.519
   29    HA   ARG  17           HA       ARG  17  -8.468   4.563   4.805
   30   1HB   ARG  17          2HB       ARG  17  -9.793   4.246   2.680
   31   2HB   ARG  17          1HB       ARG  17  -9.070   2.763   3.303
   32   1HG   ARG  17          2HG       ARG  17 -11.107   1.819   3.400
   33   2HG   ARG  17          1HG       ARG  17 -11.619   3.060   4.544
   34   1HD   ARG  17          2HD       ARG  17 -11.543   4.197   1.906
   35   2HD   ARG  17          1HD       ARG  17 -12.489   2.710   1.864
   36    HE   ARG  17           HE       ARG  17 -13.195   4.415   4.114
   37   1HH1  ARG  17           HH2      ARG  17 -13.355   4.444   0.703
   38   2HH1  ARG  17           HH2      ARG  17 -15.032   4.867   0.636
   39   1HH2  ARG  17           HH1      ARG  17 -15.488   4.677   4.069
   40   2HH2  ARG  17           HH1      ARG  17 -16.241   5.001   2.543
   41    H    GLY  18           H        GLY  18  -9.474   6.046   6.607
   42   1HA   GLY  18          2HA       GLY  18 -11.807   7.484   5.404
   43   2HA   GLY  18          1HA       GLY  18 -11.568   7.352   7.146
   44    H    SER  19           H        SER  19  -8.526   7.657   6.089
   45    HA   SER  19           HA       SER  19  -8.370  10.434   5.329
   46   1HB   SER  19          2HB       SER  19  -7.126  10.418   7.927
   47   2HB   SER  19          1HB       SER  19  -8.384  11.490   7.315
   48    HG   SER  19           HG       SER  19  -9.009  10.199   9.156
   49    H    ILE  20           H        ILE  20  -6.810   7.654   6.848
   50    HA   ILE  20           HA       ILE  20  -4.117   8.536   6.202
   51    HB   ILE  20           HB       ILE  20  -5.280   5.883   7.070
   52   1HG1  ILE  20          2HG1      ILE  20  -3.439   6.708   8.928
   53   2HG1  ILE  20          1HG1      ILE  20  -4.080   8.250   8.358
   54   1HG2  ILE  20          1HG2      ILE  20  -2.683   6.491   5.863
   55   2HG2  ILE  20          3HG2      ILE  20  -2.534   5.765   7.463
   56   3HG2  ILE  20          2HG2      ILE  20  -3.428   4.928   6.194
   57   1HD1  ILE  20           HD1      ILE  20  -6.317   6.566   8.641
   58   2HD1  ILE  20           HD1      ILE  20  -5.332   6.289  10.077
   59   3HD1  ILE  20           HD1      ILE  20  -5.871   7.920   9.680
   60    H    ASP  21           H        ASP  21  -6.387   6.187   4.792
   61    HA   ASP  21           HA       ASP  21  -4.630   5.405   2.646
   62   1HB   ASP  21          2HB       ASP  21  -7.648   5.276   2.920
   63   2HB   ASP  21          1HB       ASP  21  -6.747   4.542   1.593
   64    H    LYS  22           H        LYS  22  -6.875   8.053   3.112
   65    HA   LYS  22           HA       LYS  22  -6.842   8.823   0.282
   66   1HB   LYS  22          2HB       LYS  22  -8.847   9.351   1.485
   67   2HB   LYS  22          1HB       LYS  22  -7.940  10.125   2.784
   68   1HG   LYS  22          2HG       LYS  22  -7.382  11.989   1.444
   69   2HG   LYS  22          1HG       LYS  22  -7.772  11.138  -0.052
   70   1HD   LYS  22          2HD       LYS  22  -9.609  12.606   0.320
   71   2HD   LYS  22          1HD       LYS  22 -10.179  11.016   0.830
   72   1HE   LYS  22          2HE       LYS  22 -10.141  11.568   3.076
   73   2HE   LYS  22          1HE       LYS  22  -8.849  12.751   2.870
   74   1HZ   LYS  22          2HZ       LYS  22 -10.903  13.732   1.371
   75   2HZ   LYS  22          1HZ       LYS  22 -11.682  13.114   2.749
   76   3HZ   LYS  22          3HZ       LYS  22 -10.453  14.270   2.919
   77    H    TYR  23           H        TYR  23  -4.503   8.905   2.546
   78    HA   TYR  23           HA       TYR  23  -3.178  11.192   1.234
   79   1HB   TYR  23          2HB       TYR  23  -4.005  11.122   4.114
   80   2HB   TYR  23          1HB       TYR  23  -2.468  11.881   3.697
   81    HD1  TYR  23           HD2      TYR  23  -2.995  13.070   1.079
   82    HD2  TYR  23           HD1      TYR  23  -5.513  12.869   4.553
   83    HE1  TYR  23           HE2      TYR  23  -4.201  15.101   0.323
   84    HE2  TYR  23           HE1      TYR  23  -6.719  14.898   3.798
   85    HH   TYR  23           HH       TYR  23  -5.980  16.421   0.674
   86    H    VAL  24           H        VAL  24  -2.582   8.486   0.954
   87    HA   VAL  24           HA       VAL  24   0.011   8.321   2.419
   88    HB   VAL  24           HB       VAL  24  -1.870   6.765   3.263
   89   1HG1  VAL  24          2HG1      VAL  24  -2.336   6.197   0.711
   90   2HG1  VAL  24          1HG1      VAL  24  -1.088   4.983   0.989
   91   3HG1  VAL  24          3HG1      VAL  24  -2.558   4.975   1.963
   92   1HG2  VAL  24          1HG2      VAL  24   0.887   5.899   2.403
   93   2HG2  VAL  24          3HG2      VAL  24   0.312   6.291   4.022
   94   3HG2  VAL  24          2HG2      VAL  24  -0.180   4.782   3.253
   95    H    LYS  25           H        LYS  25   1.673   8.211   0.995
   96    HA   LYS  25           HA       LYS  25   1.084   7.315  -1.790
   97   1HB   LYS  25          2HB       LYS  25   2.161   9.624  -1.224
   98   2HB   LYS  25          1HB       LYS  25   3.625   8.686  -0.924
   99   1HG   LYS  25          2HG       LYS  25   4.023   8.633  -3.135
  100   2HG   LYS  25          1HG       LYS  25   2.520   7.739  -3.366
  101   1HD   LYS  25          2HD       LYS  25   1.664   9.527  -4.430
  102   2HD   LYS  25          1HD       LYS  25   1.784  10.439  -2.924
  103   1HE   LYS  25          2HE       LYS  25   3.575  11.610  -3.656
  104   2HE   LYS  25          1HE       LYS  25   4.363  10.161  -4.280
  105   1HZ   LYS  25          2HZ       LYS  25   2.031  11.029  -5.757
  106   2HZ   LYS  25          1HZ       LYS  25   3.352  12.095  -5.820
  107   3HZ   LYS  25          3HZ       LYS  25   3.538  10.486  -6.323
  108    H    GLU  26           H        GLU  26   1.270   5.048  -1.420
  109    HA   GLU  26           HA       GLU  26   3.683   3.995  -0.129
  110   1HB   GLU  26          2HB       GLU  26   2.692   1.778  -0.701
  111   2HB   GLU  26          1HB       GLU  26   1.571   2.811   0.186
  112   1HG   GLU  26          2HG       GLU  26   0.093   2.584  -1.494
  113   2HG   GLU  26          1HG       GLU  26   1.222   3.428  -2.554
  114    H    MET  27           H        MET  27   5.499   3.311  -1.167
  115    HA   MET  27           HA       MET  27   5.413   3.227  -4.154
  116   1HB   MET  27          2HB       MET  27   7.687   4.069  -2.332
  117   2HB   MET  27          1HB       MET  27   7.799   3.932  -4.087
  118   1HG   MET  27          2HG       MET  27   5.629   5.617  -2.873
  119   2HG   MET  27          1HG       MET  27   7.263   6.267  -3.008
  120   1HE   MET  27          2HE       MET  27   4.149   5.507  -4.137
  121   2HE   MET  27          1HE       MET  27   4.042   6.725  -5.405
  122   3HE   MET  27          3HE       MET  27   4.154   5.012  -5.828
  123    HA   PRO  28           HA       PRO  28   6.589  -0.994  -3.344
  124   1HB   PRO  28          2HB       PRO  28   6.741  -1.733  -5.992
  125   2HB   PRO  28          1HB       PRO  28   5.222  -1.614  -5.089
  126   1HG   PRO  28          2HG       PRO  28   6.351   0.258  -7.125
  127   2HG   PRO  28          1HG       PRO  28   4.659  -0.068  -6.718
  128   1HD   PRO  28          2HD       PRO  28   6.115   2.183  -5.879
  129   2HD   PRO  28          1HD       PRO  28   4.601   1.609  -5.146
  130    H    ASP  29           H        ASP  29   8.397   1.466  -4.825
  131    HA   ASP  29           HA       ASP  29  10.730  -0.244  -5.385
  132   1HB   ASP  29          2HB       ASP  29  11.809   1.989  -5.945
  133   2HB   ASP  29          1HB       ASP  29  10.414   1.566  -6.938
  134    H    LYS  30           H        LYS  30   9.403   0.595  -2.632
  135    HA   LYS  30           HA       LYS  30  10.313   0.480  -0.474
  136   1HB   LYS  30          2HB       LYS  30  12.961   1.221  -1.706
  137   2HB   LYS  30          1HB       LYS  30  12.688   0.550  -0.104
  138   1HG   LYS  30          2HG       LYS  30  12.425  -1.579  -0.897
  139   2HG   LYS  30          1HG       LYS  30  11.610  -1.037  -2.365
  140   1HD   LYS  30          2HD       LYS  30  13.543  -0.965  -3.545
  141   2HD   LYS  30          1HD       LYS  30  14.423  -0.204  -2.220
  142   1HE   LYS  30          2HE       LYS  30  15.458  -2.306  -2.383
  143   2HE   LYS  30          1HE       LYS  30  14.281  -2.550  -1.092
  144   1HZ   LYS  30          1HZ       LYS  30  13.692  -3.138  -3.935
  145   2HZ   LYS  30          3HZ       LYS  30  14.331  -4.296  -2.875
  146   3HZ   LYS  30          2HZ       LYS  30  12.806  -3.614  -2.565
  147    H    THR  31           H        THR  31   8.853   2.530  -0.998
  148    HA   THR  31           HA       THR  31  10.207   4.775   0.297
  149    HB   THR  31           HB       THR  31   8.870   5.612  -2.194
  150    HG1  THR  31           HG1      THR  31  10.678   5.094  -3.440
  151   1HG2  THR  31          1HG2      THR  31  10.789   6.585  -0.276
  152   2HG2  THR  31          3HG2      THR  31  11.454   6.703  -1.904
  153   3HG2  THR  31          2HG2      THR  31   9.919   7.481  -1.521
  154    H    PHE  32           H        PHE  32   8.580   6.619   0.591
  155    HA   PHE  32           HA       PHE  32   5.752   5.946   0.309
  156   1HB   PHE  32          2HB       PHE  32   7.208   5.533   2.874
  157   2HB   PHE  32          1HB       PHE  32   5.638   6.329   2.978
  158    HD1  PHE  32           HD2      PHE  32   3.590   5.188   2.204
  159    HD2  PHE  32           HD1      PHE  32   7.405   3.217   2.187
  160    HE1  PHE  32           HE2      PHE  32   2.457   2.999   1.935
  161    HE2  PHE  32           HE1      PHE  32   6.274   1.029   1.913
  162    HZ   PHE  32           HZ       PHE  32   3.799   0.920   1.789
  163    H    GLU  33           H        GLU  33   4.385   7.775   1.008
  164    HA   GLU  33           HA       GLU  33   5.786  10.233   1.839
  165   1HB   GLU  33          2HB       GLU  33   5.575   9.758  -0.855
  166   2HB   GLU  33          1HB       GLU  33   4.108  10.686  -0.539
  167   1HG   GLU  33          2HG       GLU  33   6.041  12.033   0.928
  168   2HG   GLU  33          1HG       GLU  33   6.897  11.569  -0.542
  169    H    CYS  34           H        CYS  34   4.459  10.642   3.569
  170    HA   CYS  34           HA       CYS  34   1.647  10.080   3.665
  171   1HB   CYS  34          2HB       CYS  34   3.234  10.519   5.623
  172   2HB   CYS  34          1HB       CYS  34   3.083  12.230   5.239
  173    H    LEU  35           H        LEU  35   0.308  11.014   2.156
  174    HA   LEU  35           HA       LEU  35   0.840  13.689   1.109
  175   1HB   LEU  35          2HB       LEU  35  -1.516  11.828   0.709
  176   2HB   LEU  35          1HB       LEU  35  -1.236  13.315  -0.195
  177    HG   LEU  35           HG       LEU  35   1.165  11.755  -0.253
  178   1HD1  LEU  35           HD1      LEU  35  -1.342  10.285  -1.127
  179   2HD1  LEU  35           HD1      LEU  35   0.311   9.764  -1.450
  180   3HD1  LEU  35           HD1      LEU  35  -0.287   9.820   0.207
  181   1HD2  LEU  35           HD2      LEU  35  -0.888  12.767  -2.207
  182   2HD2  LEU  35           HD2      LEU  35   0.797  13.252  -2.020
  183   3HD2  LEU  35           HD2      LEU  35   0.402  11.703  -2.766
  184    H    PHE  36           H        PHE  36  -0.347  12.817   4.035
  185    HA   PHE  36           HA       PHE  36  -2.795  14.281   4.239
  186   1HB   PHE  36          2HB       PHE  36  -2.272  12.851   6.051
  187   2HB   PHE  36          1HB       PHE  36  -0.658  13.534   6.234
  188    HD1  PHE  36           HD2      PHE  36  -0.441  15.952   6.996
  189    HD2  PHE  36           HD1      PHE  36  -4.117  13.754   7.231
  190    HE1  PHE  36           HE2      PHE  36  -1.287  17.559   8.677
  191    HE2  PHE  36           HE1      PHE  36  -4.969  15.362   8.914
  192    HZ   PHE  36           HZ       PHE  36  -3.556  17.269   9.638
  193    HA   PRO  37           HA       PRO  37  -1.254  18.389   3.864
  194   1HB   PRO  37          2HB       PRO  37  -3.484  19.691   4.822
  195   2HB   PRO  37          1HB       PRO  37  -3.381  18.987   3.199
  196   1HG   PRO  37          2HG       PRO  37  -4.836  17.968   5.598
  197   2HG   PRO  37          1HG       PRO  37  -5.191  17.719   3.881
  198   1HD   PRO  37          2HD       PRO  37  -3.943  15.848   5.591
  199   2HD   PRO  37          1HD       PRO  37  -3.977  15.771   3.817
  200    H    GLY  38           H        GLY  38   0.371  18.634   5.361
  201   1HA   GLY  38          2HA       GLY  38   0.680  20.256   7.351
  202   2HA   GLY  38          1HA       GLY  38  -0.392  19.136   8.200
  203    H    CYS  39           H        CYS  39   0.950  16.994   6.383
  204    HA   CYS  39           HA       CYS  39   2.931  16.180   8.366
  205   1HB   CYS  39          2HB       CYS  39   1.365  14.682   6.933
  206   2HB   CYS  39          1HB       CYS  39   2.564  14.908   5.659
  207    H    THR  40           H        THR  40   5.154  15.455   7.549
  208    HA   THR  40           HA       THR  40   6.252  16.797   5.216
  209    HB   THR  40           HB       THR  40   7.776  17.754   7.502
  210    HG1  THR  40           HG1      THR  40   6.148  18.331   8.678
  211   1HG2  THR  40          3HG2      THR  40   7.787  18.502   5.054
  212   2HG2  THR  40          2HG2      THR  40   6.281  19.347   5.414
  213   3HG2  THR  40          1HG2      THR  40   7.764  19.787   6.262
  214    H    LYS  41           H        LYS  41   6.097  14.122   6.584
  215    HA   LYS  41           HA       LYS  41   9.042  13.602   6.657
  216   1HB   LYS  41          2HB       LYS  41   7.063  12.048   8.320
  217   2HB   LYS  41          1HB       LYS  41   8.815  12.140   8.501
  218   1HG   LYS  41          2HG       LYS  41   8.256  14.741   8.804
  219   2HG   LYS  41          1HG       LYS  41   6.717  14.080   9.356
  220   1HD   LYS  41          2HD       LYS  41   9.476  13.509  10.462
  221   2HD   LYS  41          1HD       LYS  41   8.109  14.244  11.300
  222   1HE   LYS  41          2HE       LYS  41   6.894  11.988  10.693
  223   2HE   LYS  41          1HE       LYS  41   8.540  11.371  10.544
  224   1HZ   LYS  41          1HZ       LYS  41   8.986  12.230  12.787
  225   2HZ   LYS  41          3HZ       LYS  41   7.362  12.700  12.923
  226   3HZ   LYS  41          2HZ       LYS  41   7.759  11.054  12.777
  227    H    THR  42           H        THR  42   9.522  12.351   4.927
  228    HA   THR  42           HA       THR  42   7.446  10.532   3.833
  229    HB   THR  42           HB       THR  42   8.706  10.482   1.846
  230    HG1  THR  42           HG1      THR  42  10.873  11.470   3.384
  231   1HG2  THR  42          3HG2      THR  42   9.116  13.183   3.150
  232   2HG2  THR  42          2HG2      THR  42   9.340  12.873   1.429
  233   3HG2  THR  42          1HG2      THR  42   7.746  12.684   2.159
  234    H    PHE  43           H        PHE  43   8.000   8.254   3.447
  235    HA   PHE  43           HA       PHE  43  10.257   7.298   5.163
  236   1HB   PHE  43          2HB       PHE  43   7.781   5.643   4.955
  237   2HB   PHE  43          1HB       PHE  43   8.920   5.790   6.290
  238    HD1  PHE  43           HD1      PHE  43   6.407   7.840   4.391
  239    HD2  PHE  43           HD2      PHE  43   8.336   7.073   8.153
  240    HE1  PHE  43           HE1      PHE  43   4.928   9.501   5.488
  241    HE2  PHE  43           HE2      PHE  43   6.854   8.734   9.249
  242    HZ   PHE  43           HZ       PHE  43   5.149   9.942   7.916
  243    H    LYS  44           H        LYS  44   9.917   4.570   4.663
  244    HA   LYS  44           HA       LYS  44   9.588   3.929   1.883
  245   1HB   LYS  44          2HB       LYS  44  12.061   3.492   1.447
  246   2HB   LYS  44          1HB       LYS  44  11.592   5.193   1.475
  247   1HG   LYS  44          2HG       LYS  44  12.150   4.766   4.114
  248   2HG   LYS  44          1HG       LYS  44  13.311   3.684   3.345
  249   1HD   LYS  44          2HD       LYS  44  14.456   5.407   2.325
  250   2HD   LYS  44          1HD       LYS  44  13.024   6.431   2.212
  251   1HE   LYS  44          2HE       LYS  44  14.155   5.759   4.912
  252   2HE   LYS  44          1HE       LYS  44  14.901   7.032   3.947
  253   1HZ   LYS  44          1HZ       LYS  44  12.325   7.658   3.709
  254   2HZ   LYS  44          3HZ       LYS  44  12.317   6.976   5.261
  255   3HZ   LYS  44          2HZ       LYS  44  13.336   8.291   4.919
  256    H    ARG  45           H        ARG  45   8.851   1.869   2.224
  257    HA   ARG  45           HA       ARG  45  10.374  -0.317   2.949
  258   1HB   ARG  45          2HB       ARG  45   9.798   1.325   5.272
  259   2HB   ARG  45          1HB       ARG  45   9.115  -0.290   5.460
  260   1HG   ARG  45          2HG       ARG  45  11.220  -1.338   5.183
  261   2HG   ARG  45          1HG       ARG  45  11.947   0.117   4.500
  262   1HD   ARG  45          2HD       ARG  45  12.482   0.910   6.542
  263   2HD   ARG  45          1HD       ARG  45  10.853   0.616   7.151
  264    HE   ARG  45           HE       ARG  45  13.059  -1.394   7.168
  265   1HH1  ARG  45           HH1      ARG  45  11.663  -3.399   7.694
  266   2HH1  ARG  45           HH1      ARG  45  10.709  -3.197   9.125
  267   1HH2  ARG  45           HH2      ARG  45  11.099   0.246   9.223
  268   2HH2  ARG  45           HH2      ARG  45  10.389  -1.134   9.990
  269    H    ARG  46           H        ARG  46   7.441   0.303   4.835
  270    HA   ARG  46           HA       ARG  46   5.827  -1.162   2.820
  271   1HB   ARG  46          2HB       ARG  46   5.957  -2.025   5.723
  272   2HB   ARG  46          1HB       ARG  46   5.048  -2.800   4.425
  273   1HG   ARG  46          2HG       ARG  46   7.465  -2.884   3.290
  274   2HG   ARG  46          1HG       ARG  46   7.983  -2.845   4.975
  275   1HD   ARG  46          2HD       ARG  46   7.309  -4.972   5.334
  276   2HD   ARG  46          1HD       ARG  46   5.761  -4.694   4.536
  277    HE   ARG  46           HE       ARG  46   8.055  -5.953   3.334
  278   1HH1  ARG  46           HH1      ARG  46   8.027  -3.644   1.572
  279   2HH1  ARG  46           HH1      ARG  46   6.809  -4.030   0.401
  280   1HH2  ARG  46           HH2      ARG  46   5.364  -6.519   2.333
  281   2HH2  ARG  46           HH2      ARG  46   5.302  -5.657   0.832
  282    H    TYR  47           H        TYR  47   3.718  -1.564   4.882
  283    HA   TYR  47           HA       TYR  47   2.564   1.139   4.710
  284   1HB   TYR  47          2HB       TYR  47   0.871  -0.522   6.274
  285   2HB   TYR  47          1HB       TYR  47   0.628  -0.010   4.608
  286    HD1  TYR  47           HD2      TYR  47   1.833  -1.366   2.774
  287    HD2  TYR  47           HD1      TYR  47   1.248  -2.770   6.786
  288    HE1  TYR  47           HE2      TYR  47   2.180  -3.702   2.002
  289    HE2  TYR  47           HE1      TYR  47   1.592  -5.108   6.020
  290    HH   TYR  47           HH       TYR  47   1.396  -6.395   3.901
  291    H    ASN  48           H        ASN  48   4.787   1.151   6.380
  292    HA   ASN  48           HA       ASN  48   3.771   0.884   9.117
  293   1HB   ASN  48          2HB       ASN  48   6.466   1.893   8.154
  294   2HB   ASN  48          1HB       ASN  48   6.050   1.459   9.812
  295   1HD2  ASN  48           HD2      ASN  48   5.494  -2.058   8.327
  296   2HD2  ASN  48           HD2      ASN  48   4.355  -0.864   8.721
  297    H    ILE  49           H        ILE  49   4.747   3.401   6.846
  298    HA   ILE  49           HA       ILE  49   4.493   5.601   8.654
  299    HB   ILE  49           HB       ILE  49   4.951   6.918   6.863
  300   1HG1  ILE  49          2HG1      ILE  49   2.554   6.827   6.141
  301   2HG1  ILE  49          1HG1      ILE  49   3.683   6.968   4.793
  302   1HG2  ILE  49          3HG2      ILE  49   6.325   4.873   6.419
  303   2HG2  ILE  49          2HG2      ILE  49   5.070   4.331   5.303
  304   3HG2  ILE  49          1HG2      ILE  49   5.960   5.813   4.972
  305   1HD1  ILE  49           HD1      ILE  49   3.355   4.197   5.361
  306   2HD1  ILE  49           HD1      ILE  49   1.750   4.921   5.269
  307   3HD1  ILE  49           HD1      ILE  49   2.865   5.076   3.913
  308    H    ARG  50           H        ARG  50   2.174   3.663   6.919
  309    HA   ARG  50           HA       ARG  50  -0.114   5.303   6.993
  310   1HB   ARG  50          2HB       ARG  50   0.386   2.658   6.374
  311   2HB   ARG  50          1HB       ARG  50  -0.615   2.521   7.820
  312   1HG   ARG  50          2HG       ARG  50  -2.457   3.446   6.803
  313   2HG   ARG  50          1HG       ARG  50  -1.488   4.483   5.754
  314   1HD   ARG  50          2HD       ARG  50  -1.471   2.948   4.094
  315   2HD   ARG  50          1HD       ARG  50  -1.055   1.645   5.207
  316    HE   ARG  50           HE       ARG  50  -3.851   2.519   5.361
  317   1HH1  ARG  50           HH2      ARG  50  -2.585   1.329   2.656
  318   2HH1  ARG  50           HH2      ARG  50  -3.256  -0.265   2.750
  319   1HH2  ARG  50           HH1      ARG  50  -4.265   0.066   6.050
  320   2HH2  ARG  50           HH1      ARG  50  -4.207  -0.980   4.670
  321    H    SER  51           H        SER  51   1.054   3.034   9.503
  322    HA   SER  51           HA       SER  51  -0.873   3.734  11.478
  323   1HB   SER  51          2HB       SER  51   1.020   1.862  11.413
  324   2HB   SER  51          1HB       SER  51   1.936   3.084  12.291
  325    HG   SER  51           HG       SER  51   0.790   1.804  13.745
  326    H    HIS  52           H        HIS  52   2.241   5.153  10.591
  327    HA   HIS  52           HA       HIS  52   2.505   6.980  12.743
  328   1HB   HIS  52          2HB       HIS  52   4.404   7.275  11.518
  329   2HB   HIS  52          1HB       HIS  52   3.640   6.639  10.065
  330    HD1  HIS  52           HD1      HIS  52   5.110   9.655  11.287
  331    HD2  HIS  52           HD2      HIS  52   1.796   8.820   8.913
  332    HE1  HIS  52           HE1      HIS  52   4.495  11.819  10.123
  333    H    ILE  53           H        ILE  53   0.644   7.227   9.747
  334    HA   ILE  53           HA       ILE  53  -0.247   9.928  10.179
  335    HB   ILE  53           HB       ILE  53  -1.818   7.753   8.757
  336   1HG1  ILE  53          2HG1      ILE  53   0.506   9.385   7.688
  337   2HG1  ILE  53          1HG1      ILE  53   0.490   7.638   7.932
  338   1HG2  ILE  53          3HG2      ILE  53  -1.638  10.753   8.602
  339   2HG2  ILE  53          2HG2      ILE  53  -2.269   9.808   7.254
  340   3HG2  ILE  53          1HG2      ILE  53  -3.065   9.743   8.826
  341   1HD1  ILE  53           HD1      ILE  53  -1.811   8.367   6.379
  342   2HD1  ILE  53           HD1      ILE  53  -0.380   9.085   5.639
  343   3HD1  ILE  53           HD1      ILE  53  -0.453   7.344   5.910
  344    H    GLN  54           H        GLN  54  -1.966   6.836  10.594
  345    HA   GLN  54           HA       GLN  54  -4.268   7.595  11.853
  346   1HB   GLN  54          2HB       GLN  54  -2.750   5.212  11.734
  347   2HB   GLN  54          1HB       GLN  54  -3.116   5.475  13.440
  348   1HG   GLN  54          2HG       GLN  54  -5.231   4.794  13.099
  349   2HG   GLN  54          1HG       GLN  54  -5.462   6.089  11.924
  350   1HE2  GLN  54          2HE2      GLN  54  -4.094   3.731   9.300
  351   2HE2  GLN  54          1HE2      GLN  54  -3.490   5.159   9.989
  352    H    THR  55           H        THR  55  -1.027   7.818  13.207
  353    HA   THR  55           HA       THR  55  -2.065   8.426  15.869
  354    HB   THR  55           HB       THR  55   0.633   9.397  15.381
  355    HG1  THR  55           HG1      THR  55   1.354   7.119  15.043
  356   1HG2  THR  55          2HG2      THR  55  -0.562   7.179  17.062
  357   2HG2  THR  55          1HG2      THR  55   1.121   7.697  17.161
  358   3HG2  THR  55          3HG2      THR  55  -0.172   8.815  17.591
  359    H    HIS  56           H        HIS  56  -0.554  10.314  13.252
  360    HA   HIS  56           HA       HIS  56  -1.510  12.746  14.604
  361   1HB   HIS  56          2HB       HIS  56   0.173  13.861  13.581
  362   2HB   HIS  56          1HB       HIS  56   0.867  12.261  13.495
  363    HD1  HIS  56           HD1      HIS  56  -1.020  14.752  11.318
  364    HD2  HIS  56           HD2      HIS  56   1.401  11.395  10.952
  365    HE1  HIS  56           HE1      HIS  56  -0.207  14.697   8.913
  366    H    LEU  57           H        LEU  57  -3.188  10.741  13.206
  367    HA   LEU  57           HA       LEU  57  -4.634  12.664  11.471
  368   1HB   LEU  57          2HB       LEU  57  -3.471  10.176  10.616
  369   2HB   LEU  57          1HB       LEU  57  -5.226  10.060  10.518
  370    HG   LEU  57           HG       LEU  57  -4.408  10.973   8.426
  371   1HD1  LEU  57           HD1      LEU  57  -6.149  12.389  10.226
  372   2HD1  LEU  57           HD1      LEU  57  -5.269  13.555   9.239
  373   3HD1  LEU  57           HD1      LEU  57  -6.230  12.296   8.466
  374   1HD2  LEU  57           HD2      LEU  57  -2.359  11.984   9.925
  375   2HD2  LEU  57           HD2      LEU  57  -2.719  12.502   8.279
  376   3HD2  LEU  57           HD2      LEU  57  -3.318  13.438   9.647
  377    H    GLU  58           H        GLU  58  -4.667  10.144  13.895
  378    HA   GLU  58           HA       GLU  58  -7.402   9.411  13.843
  379   1HB   GLU  58          2HB       GLU  58  -5.877   8.242  15.303
  380   2HB   GLU  58          1HB       GLU  58  -5.484   9.729  16.167
  381   1HG   GLU  58          2HG       GLU  58  -7.072   8.470  17.502
  382   2HG   GLU  58          1HG       GLU  58  -7.891   9.893  16.859
  383    H    ASP  59           H        ASP  59  -5.815  12.294  15.110
  384    HA   ASP  59           HA       ASP  59  -6.720  14.311  15.893
  385   1HB   ASP  59          2HB       ASP  59  -7.921  14.424  13.812
  386   2HB   ASP  59          1HB       ASP  59  -9.082  13.210  14.350
  387    H    ARG  60           H        ARG  60  -6.511  13.226  18.064
  388    HA   ARG  60           HA       ARG  60  -8.544  11.815  19.384
  389   1HB   ARG  60          2HB       ARG  60  -6.621  13.893  20.464
  390   2HB   ARG  60          1HB       ARG  60  -7.634  12.874  21.488
  391   1HG   ARG  60          2HG       ARG  60  -5.753  11.739  19.407
  392   2HG   ARG  60          1HG       ARG  60  -5.269  12.012  21.081
  393   1HD   ARG  60          2HD       ARG  60  -7.683  10.688  21.351
  394   2HD   ARG  60          1HD       ARG  60  -6.959   9.898  19.951
  395    HE   ARG  60           HE       ARG  60  -6.186   9.314  22.548
  396   1HH1  ARG  60           HH2      ARG  60  -4.898   8.777  19.659
  397   2HH1  ARG  60           HH2      ARG  60  -3.236   9.030  20.076
  398   1HH2  ARG  60           HH1      ARG  60  -3.950  10.470  23.149
  399   2HH2  ARG  60           HH1      ARG  60  -2.699   9.988  22.051
   
  No H/Q in entry =         399
  Start of MODEL   24
    1   1H    THR  14          3H        THR  14 -11.773   1.487  18.569
    2   2H    THR  14          2H        THR  14 -12.490   2.475  19.752
    3   3H    THR  14          1H        THR  14 -13.355   1.169  19.094
    4    HA   THR  14           HA       THR  14 -13.723   2.217  17.088
    5    HB   THR  14           HB       THR  14 -14.231   4.692  17.801
    6    HG1  THR  14           HG1      THR  14 -14.001   5.101  19.900
    7   1HG2  THR  14          3HG2      THR  14 -15.569   2.248  18.070
    8   2HG2  THR  14          2HG2      THR  14 -15.760   3.036  19.637
    9   3HG2  THR  14          1HG2      THR  14 -16.290   3.855  18.167
   10    H    LEU  15           H        LEU  15 -12.365   2.636  15.415
   11    HA   LEU  15           HA       LEU  15 -10.316   4.779  15.795
   12   1HB   LEU  15          2HB       LEU  15  -9.989   1.985  14.789
   13   2HB   LEU  15          1HB       LEU  15  -9.055   3.253  13.993
   14    HG   LEU  15           HG       LEU  15  -9.018   3.494  16.910
   15   1HD1  LEU  15           HD1      LEU  15  -8.899   0.863  15.932
   16   2HD1  LEU  15           HD1      LEU  15  -7.220   1.326  16.212
   17   3HD1  LEU  15           HD1      LEU  15  -8.391   1.418  17.527
   18   1HD2  LEU  15           HD2      LEU  15  -7.267   3.773  14.563
   19   2HD2  LEU  15           HD2      LEU  15  -7.278   4.690  16.070
   20   3HD2  LEU  15           HD2      LEU  15  -6.439   3.140  15.986
   21    HA   PRO  16           HA       PRO  16 -12.000   6.397  12.077
   22   1HB   PRO  16          2HB       PRO  16  -9.849   7.911  11.277
   23   2HB   PRO  16          1HB       PRO  16 -10.925   8.366  12.608
   24   1HG   PRO  16          2HG       PRO  16  -8.147   7.289  12.726
   25   2HG   PRO  16          1HG       PRO  16  -9.004   8.311  13.891
   26   1HD   PRO  16          2HD       PRO  16  -8.581   5.523  14.133
   27   2HD   PRO  16          1HD       PRO  16  -9.708   6.497  15.103
   28    H    ARG  17           H        ARG  17 -12.077   5.767   9.916
   29    HA   ARG  17           HA       ARG  17  -9.666   4.550   8.701
   30   1HB   ARG  17          2HB       ARG  17 -11.423   2.872   9.812
   31   2HB   ARG  17          1HB       ARG  17 -12.260   3.131   8.280
   32   1HG   ARG  17          2HG       ARG  17 -10.896   1.407   7.614
   33   2HG   ARG  17          1HG       ARG  17  -9.771   2.736   7.336
   34   1HD   ARG  17          2HD       ARG  17  -9.712   1.866  10.111
   35   2HD   ARG  17          1HD       ARG  17  -9.352   0.535   9.012
   36    HE   ARG  17           HE       ARG  17  -7.874   2.893   8.261
   37   1HH1  ARG  17           HH1      ARG  17  -6.374   0.520   8.035
   38   2HH1  ARG  17           HH1      ARG  17  -5.424   0.428   9.481
   39   1HH2  ARG  17           HH2      ARG  17  -7.375   2.704  11.225
   40   2HH2  ARG  17           HH2      ARG  17  -5.992   1.664  11.286
   41    H    GLY  18           H        GLY  18 -10.113   6.876   7.779
   42   1HA   GLY  18          2HA       GLY  18 -11.076   6.561   5.091
   43   2HA   GLY  18          1HA       GLY  18 -12.265   7.441   6.053
   44    H    SER  19           H        SER  19  -8.739   7.592   6.413
   45    HA   SER  19           HA       SER  19  -8.633  10.222   5.115
   46   1HB   SER  19          2HB       SER  19  -7.510  11.081   7.351
   47   2HB   SER  19          1HB       SER  19  -9.258  11.151   7.148
   48    HG   SER  19           HG       SER  19  -9.449   9.741   8.688
   49    H    ILE  20           H        ILE  20  -6.979   7.765   7.061
   50    HA   ILE  20           HA       ILE  20  -4.323   8.640   6.288
   51    HB   ILE  20           HB       ILE  20  -5.409   6.127   7.568
   52   1HG1  ILE  20          2HG1      ILE  20  -3.643   7.147   9.306
   53   2HG1  ILE  20          1HG1      ILE  20  -4.028   8.627   8.432
   54   1HG2  ILE  20          1HG2      ILE  20  -2.848   6.542   6.213
   55   2HG2  ILE  20          3HG2      ILE  20  -2.651   6.094   7.908
   56   3HG2  ILE  20          2HG2      ILE  20  -3.565   5.049   6.820
   57   1HD1  ILE  20           HD1      ILE  20  -6.167   6.797   9.522
   58   2HD1  ILE  20           HD1      ILE  20  -5.489   8.125  10.462
   59   3HD1  ILE  20           HD1      ILE  20  -6.345   8.457   8.958
   60    H    ASP  21           H        ASP  21  -6.640   6.268   5.076
   61    HA   ASP  21           HA       ASP  21  -4.848   5.021   3.195
   62   1HB   ASP  21          2HB       ASP  21  -7.873   5.273   3.118
   63   2HB   ASP  21          1HB       ASP  21  -6.912   4.162   2.142
   64    H    LYS  22           H        LYS  22  -6.756   7.950   3.160
   65    HA   LYS  22           HA       LYS  22  -6.319   8.324   0.256
   66   1HB   LYS  22          2HB       LYS  22  -8.478   8.958   1.532
   67   2HB   LYS  22          1HB       LYS  22  -7.555  10.329   2.148
   68   1HG   LYS  22          2HG       LYS  22  -7.039  11.001  -0.190
   69   2HG   LYS  22          1HG       LYS  22  -8.039   9.670  -0.773
   70   1HD   LYS  22          2HD       LYS  22  -9.547  11.459  -0.809
   71   2HD   LYS  22          1HD       LYS  22  -9.879  10.731   0.764
   72   1HE   LYS  22          2HE       LYS  22  -7.997  12.382   1.591
   73   2HE   LYS  22          1HE       LYS  22  -8.409  13.268   0.123
   74   1HZ   LYS  22          1HZ       LYS  22 -10.628  12.358   1.776
   75   2HZ   LYS  22          3HZ       LYS  22  -9.684  13.618   2.406
   76   3HZ   LYS  22          2HZ       LYS  22 -10.444  13.802   0.899
   77    H    TYR  23           H        TYR  23  -4.149   8.364   2.424
   78    HA   TYR  23           HA       TYR  23  -2.758  10.721   1.359
   79   1HB   TYR  23          2HB       TYR  23  -3.608  10.491   4.246
   80   2HB   TYR  23          1HB       TYR  23  -2.186  11.428   3.784
   81    HD1  TYR  23           HD2      TYR  23  -2.975  12.582   1.207
   82    HD2  TYR  23           HD1      TYR  23  -5.270  12.063   4.801
   83    HE1  TYR  23           HE2      TYR  23  -4.437  14.474   0.547
   84    HE2  TYR  23           HE1      TYR  23  -6.731  13.954   4.142
   85    HH   TYR  23           HH       TYR  23  -6.464  16.045   2.635
   86    H    VAL  24           H        VAL  24  -2.263   7.933   1.111
   87    HA   VAL  24           HA       VAL  24   0.292   7.722   2.653
   88    HB   VAL  24           HB       VAL  24  -1.694   5.531   1.985
   89   1HG1  VAL  24          2HG1      VAL  24   1.174   5.430   2.926
   90   2HG1  VAL  24          1HG1      VAL  24   0.042   4.123   3.277
   91   3HG1  VAL  24          3HG1      VAL  24   0.423   4.536   1.605
   92   1HG2  VAL  24          2HG2      VAL  24  -1.678   7.195   4.125
   93   2HG2  VAL  24          1HG2      VAL  24  -2.214   5.518   4.219
   94   3HG2  VAL  24          3HG2      VAL  24  -0.575   5.948   4.706
   95    H    LYS  25           H        LYS  25   1.493   8.534   0.861
   96    HA   LYS  25           HA       LYS  25   1.193   7.468  -1.810
   97   1HB   LYS  25          2HB       LYS  25   2.195   9.671  -1.449
   98   2HB   LYS  25          1HB       LYS  25   3.502   8.948  -0.510
   99   1HG   LYS  25          2HG       LYS  25   4.603   8.927  -2.504
  100   2HG   LYS  25          1HG       LYS  25   3.643   7.478  -2.806
  101   1HD   LYS  25          2HD       LYS  25   2.234   9.995  -3.403
  102   2HD   LYS  25          1HD       LYS  25   3.646   9.701  -4.418
  103   1HE   LYS  25          2HE       LYS  25   2.292   7.224  -4.200
  104   2HE   LYS  25          1HE       LYS  25   1.057   8.440  -4.529
  105   1HZ   LYS  25          2HZ       LYS  25   3.065   9.151  -6.190
  106   2HZ   LYS  25          1HZ       LYS  25   3.158   7.454  -6.227
  107   3HZ   LYS  25          3HZ       LYS  25   1.708   8.233  -6.637
  108    H    GLU  26           H        GLU  26   1.587   5.325  -2.166
  109    HA   GLU  26           HA       GLU  26   3.892   4.068  -0.748
  110   1HB   GLU  26          2HB       GLU  26   2.836   1.913  -1.486
  111   2HB   GLU  26          1HB       GLU  26   1.785   2.879  -0.450
  112   1HG   GLU  26          2HG       GLU  26   0.227   2.977  -2.067
  113   2HG   GLU  26          1HG       GLU  26   1.398   3.686  -3.180
  114    H    MET  27           H        MET  27   5.730   4.081  -1.948
  115    HA   MET  27           HA       MET  27   5.500   4.068  -4.907
  116   1HB   MET  27          2HB       MET  27   7.958   4.489  -3.190
  117   2HB   MET  27          1HB       MET  27   7.814   4.804  -4.919
  118   1HG   MET  27          2HG       MET  27   5.686   6.177  -3.591
  119   2HG   MET  27          1HG       MET  27   7.192   6.564  -2.756
  120   1HE   MET  27          1HE       MET  27   4.870   7.136  -5.441
  121   2HE   MET  27          3HE       MET  27   5.728   7.792  -6.842
  122   3HE   MET  27          2HE       MET  27   5.795   6.066  -6.491
  123    HA   PRO  28           HA       PRO  28   6.614  -0.226  -4.857
  124   1HB   PRO  28          2HB       PRO  28   6.959  -0.469  -7.578
  125   2HB   PRO  28          1HB       PRO  28   5.374  -0.462  -6.784
  126   1HG   PRO  28          2HG       PRO  28   6.708   1.716  -8.339
  127   2HG   PRO  28          1HG       PRO  28   4.980   1.377  -8.139
  128   1HD   PRO  28          2HD       PRO  28   6.394   3.384  -6.778
  129   2HD   PRO  28          1HD       PRO  28   4.820   2.723  -6.282
  130    H    ASP  29           H        ASP  29   8.559   2.412  -5.748
  131    HA   ASP  29           HA       ASP  29  10.916   0.779  -6.416
  132   1HB   ASP  29          2HB       ASP  29  12.039   3.102  -6.398
  133   2HB   ASP  29          1HB       ASP  29  10.835   2.806  -7.653
  134    H    LYS  30           H        LYS  30   9.386   1.042  -3.697
  135    HA   LYS  30           HA       LYS  30  10.068   0.596  -1.509
  136   1HB   LYS  30          2HB       LYS  30  12.853   1.310  -2.416
  137   2HB   LYS  30          1HB       LYS  30  12.409   0.438  -0.956
  138   1HG   LYS  30          2HG       LYS  30  11.209  -1.143  -2.769
  139   2HG   LYS  30          1HG       LYS  30  12.512  -0.512  -3.777
  140   1HD   LYS  30          2HD       LYS  30  13.168  -1.496  -1.022
  141   2HD   LYS  30          1HD       LYS  30  12.895  -2.676  -2.304
  142   1HE   LYS  30          2HE       LYS  30  14.610  -1.608  -3.690
  143   2HE   LYS  30          1HE       LYS  30  14.858  -0.370  -2.460
  144   1HZ   LYS  30          1HZ       LYS  30  15.092  -2.748  -1.124
  145   2HZ   LYS  30          3HZ       LYS  30  15.898  -3.020  -2.590
  146   3HZ   LYS  30          2HZ       LYS  30  16.365  -1.726  -1.593
  147    H    THR  31           H        THR  31   8.806   2.842  -1.833
  148    HA   THR  31           HA       THR  31  10.271   4.741  -0.125
  149    HB   THR  31           HB       THR  31   8.926   5.912  -2.510
  150    HG1  THR  31           HG1      THR  31  11.193   5.825  -3.391
  151   1HG2  THR  31          2HG2      THR  31  10.980   6.663  -0.487
  152   2HG2  THR  31          1HG2      THR  31  11.112   7.387  -2.090
  153   3HG2  THR  31          3HG2      THR  31   9.645   7.614  -1.137
  154    H    PHE  32           H        PHE  32   8.678   6.688   0.314
  155    HA   PHE  32           HA       PHE  32   5.837   6.061   0.154
  156   1HB   PHE  32          2HB       PHE  32   7.411   5.257   2.501
  157   2HB   PHE  32          1HB       PHE  32   6.039   6.288   2.905
  158    HD1  PHE  32           HD2      PHE  32   3.740   5.594   2.399
  159    HD2  PHE  32           HD1      PHE  32   7.088   3.057   1.508
  160    HE1  PHE  32           HE2      PHE  32   2.203   3.676   2.082
  161    HE2  PHE  32           HE1      PHE  32   5.552   1.138   1.189
  162    HZ   PHE  32           HZ       PHE  32   3.107   1.447   1.478
  163    H    GLU  33           H        GLU  33   4.565   7.895   0.833
  164    HA   GLU  33           HA       GLU  33   5.996  10.216   1.955
  165   1HB   GLU  33          2HB       GLU  33   5.571   9.914  -0.860
  166   2HB   GLU  33          1HB       GLU  33   4.537  11.220  -0.278
  167   1HG   GLU  33          2HG       GLU  33   6.313  12.546   0.319
  168   2HG   GLU  33          1HG       GLU  33   7.329  11.169   0.753
  169    H    CYS  34           H        CYS  34   4.544  10.243   3.693
  170    HA   CYS  34           HA       CYS  34   1.762   9.852   3.644
  171   1HB   CYS  34          2HB       CYS  34   3.252  10.253   5.672
  172   2HB   CYS  34          1HB       CYS  34   3.169  11.970   5.295
  173    H    LEU  35           H        LEU  35   0.506  10.797   2.065
  174    HA   LEU  35           HA       LEU  35   1.091  13.449   1.025
  175   1HB   LEU  35          2HB       LEU  35  -1.360  11.712   0.626
  176   2HB   LEU  35          1HB       LEU  35  -0.918  13.120  -0.341
  177    HG   LEU  35           HG       LEU  35   1.303  11.263  -0.155
  178   1HD1  LEU  35           HD1      LEU  35  -1.377  10.223  -1.089
  179   2HD1  LEU  35           HD1      LEU  35   0.141   9.553  -1.685
  180   3HD1  LEU  35           HD1      LEU  35  -0.247   9.467   0.034
  181   1HD2  LEU  35           HD2      LEU  35  -0.387  12.429  -2.384
  182   2HD2  LEU  35           HD2      LEU  35   1.212  12.959  -1.859
  183   3HD2  LEU  35           HD2      LEU  35   1.021  11.410  -2.679
  184    H    PHE  36           H        PHE  36  -0.042  12.776   3.974
  185    HA   PHE  36           HA       PHE  36  -2.490  14.266   4.133
  186   1HB   PHE  36          2HB       PHE  36  -1.686  12.745   5.918
  187   2HB   PHE  36          1HB       PHE  36  -0.363  13.861   6.255
  188    HD1  PHE  36           HD2      PHE  36  -0.896  16.211   7.036
  189    HD2  PHE  36           HD1      PHE  36  -3.865  13.125   6.769
  190    HE1  PHE  36           HE2      PHE  36  -2.369  17.498   8.554
  191    HE2  PHE  36           HE1      PHE  36  -5.339  14.407   8.290
  192    HZ   PHE  36           HZ       PHE  36  -4.597  16.602   9.179
  193    HA   PRO  37           HA       PRO  37  -0.856  18.335   3.653
  194   1HB   PRO  37          2HB       PRO  37  -3.038  19.702   4.631
  195   2HB   PRO  37          1HB       PRO  37  -2.968  18.993   3.008
  196   1HG   PRO  37          2HG       PRO  37  -4.421  18.012   5.427
  197   2HG   PRO  37          1HG       PRO  37  -4.812  17.786   3.714
  198   1HD   PRO  37          2HD       PRO  37  -3.615  15.856   5.375
  199   2HD   PRO  37          1HD       PRO  37  -3.633  15.816   3.599
  200    H    GLY  38           H        GLY  38   0.686  19.068   5.028
  201   1HA   GLY  38          2HA       GLY  38   1.159  20.434   7.040
  202   2HA   GLY  38          1HA       GLY  38  -0.058  19.478   7.894
  203    H    CYS  39           H        CYS  39   0.984  17.032   6.397
  204    HA   CYS  39           HA       CYS  39   2.762  16.091   8.446
  205   1HB   CYS  39          2HB       CYS  39   1.299  14.676   6.917
  206   2HB   CYS  39          1HB       CYS  39   2.504  14.945   5.658
  207    H    THR  40           H        THR  40   5.040  15.324   7.986
  208    HA   THR  40           HA       THR  40   6.459  16.668   5.795
  209    HB   THR  40           HB       THR  40   7.860  17.345   8.224
  210    HG1  THR  40           HG1      THR  40   6.359  18.283   9.352
  211   1HG2  THR  40          2HG2      THR  40   6.635  18.854   5.913
  212   2HG2  THR  40          1HG2      THR  40   7.499  19.672   7.214
  213   3HG2  THR  40          3HG2      THR  40   8.338  18.498   6.201
  214    H    LYS  41           H        LYS  41   6.048  13.912   6.619
  215    HA   LYS  41           HA       LYS  41   8.909  13.178   7.031
  216   1HB   LYS  41          2HB       LYS  41   6.869  12.821   8.957
  217   2HB   LYS  41          1HB       LYS  41   7.180  11.226   8.269
  218   1HG   LYS  41          2HG       LYS  41   9.330  11.147   9.067
  219   2HG   LYS  41          1HG       LYS  41   9.566  12.888   8.901
  220   1HD   LYS  41          2HD       LYS  41   7.744  11.669  10.989
  221   2HD   LYS  41          1HD       LYS  41   9.442  12.039  11.295
  222   1HE   LYS  41          2HE       LYS  41   8.023  14.267  10.039
  223   2HE   LYS  41          1HE       LYS  41   7.323  13.810  11.592
  224   1HZ   LYS  41          3HZ       LYS  41  10.237  14.012  11.382
  225   2HZ   LYS  41          2HZ       LYS  41   9.338  15.451  11.447
  226   3HZ   LYS  41          1HZ       LYS  41   9.226  14.319  12.708
  227    H    THR  42           H        THR  42   9.562  11.408   5.818
  228    HA   THR  42           HA       THR  42   7.451  10.045   4.194
  229    HB   THR  42           HB       THR  42   8.764  10.184   2.258
  230    HG1  THR  42           HG1      THR  42  10.810   9.853   2.452
  231   1HG2  THR  42          3HG2      THR  42   8.322  12.552   3.754
  232   2HG2  THR  42          2HG2      THR  42   9.906  12.714   2.994
  233   3HG2  THR  42          1HG2      THR  42   8.481  12.396   2.005
  234    H    PHE  43           H        PHE  43   8.157   7.838   3.451
  235    HA   PHE  43           HA       PHE  43  10.332   6.660   5.101
  236   1HB   PHE  43          2HB       PHE  43   7.784   5.116   4.947
  237   2HB   PHE  43          1HB       PHE  43   9.004   5.142   6.219
  238    HD1  PHE  43           HD1      PHE  43   6.377   7.278   4.620
  239    HD2  PHE  43           HD2      PHE  43   8.665   6.426   8.153
  240    HE1  PHE  43           HE1      PHE  43   5.018   8.916   5.894
  241    HE2  PHE  43           HE2      PHE  43   7.306   8.063   9.429
  242    HZ   PHE  43           HZ       PHE  43   5.483   9.308   8.298
  243    H    LYS  44           H        LYS  44   9.583   3.954   4.417
  244    HA   LYS  44           HA       LYS  44   9.711   3.964   1.446
  245   1HB   LYS  44          2HB       LYS  44  11.582   2.357   1.496
  246   2HB   LYS  44          1HB       LYS  44  12.040   3.874   2.272
  247   1HG   LYS  44          2HG       LYS  44  11.587   2.907   4.482
  248   2HG   LYS  44          1HG       LYS  44  11.067   1.399   3.730
  249   1HD   LYS  44          2HD       LYS  44  13.258   0.921   2.929
  250   2HD   LYS  44          1HD       LYS  44  13.817   2.562   3.257
  251   1HE   LYS  44          2HE       LYS  44  13.594   2.196   5.662
  252   2HE   LYS  44          1HE       LYS  44  12.925   0.590   5.380
  253   1HZ   LYS  44          1HZ       LYS  44  15.549   1.298   4.257
  254   2HZ   LYS  44          3HZ       LYS  44  15.429   0.856   5.890
  255   3HZ   LYS  44          2HZ       LYS  44  14.937  -0.230   4.679
  256    H    ARG  45           H        ARG  45  10.025   1.263   1.023
  257    HA   ARG  45           HA       ARG  45   7.502   0.158   1.239
  258   1HB   ARG  45          2HB       ARG  45   9.639  -0.796   0.111
  259   2HB   ARG  45          1HB       ARG  45   9.927  -1.583   1.663
  260   1HG   ARG  45          2HG       ARG  45   8.229  -3.068   1.367
  261   2HG   ARG  45          1HG       ARG  45   7.168  -1.855   0.651
  262   1HD   ARG  45          2HD       ARG  45   8.337  -2.025  -1.480
  263   2HD   ARG  45          1HD       ARG  45   9.510  -3.140  -0.781
  264    HE   ARG  45           HE       ARG  45   6.861  -3.844  -1.714
  265   1HH1  ARG  45           HH1      ARG  45   5.869  -5.183   0.234
  266   2HH1  ARG  45           HH1      ARG  45   6.884  -6.520   0.660
  267   1HH2  ARG  45           HH2      ARG  45   9.663  -5.282  -1.004
  268   2HH2  ARG  45           HH2      ARG  45   9.033  -6.576  -0.040
  269    H    ARG  46           H        ARG  46   6.435   0.488   3.208
  270    HA   ARG  46           HA       ARG  46   7.004  -1.416   5.319
  271   1HB   ARG  46          2HB       ARG  46   8.464   0.939   5.486
  272   2HB   ARG  46          1HB       ARG  46   7.081   1.246   6.535
  273   1HG   ARG  46          2HG       ARG  46   8.285   0.112   8.094
  274   2HG   ARG  46          1HG       ARG  46   7.731  -1.325   7.232
  275   1HD   ARG  46          2HD       ARG  46   9.924  -0.443   5.747
  276   2HD   ARG  46          1HD       ARG  46  10.418  -0.214   7.424
  277    HE   ARG  46           HE       ARG  46  10.418  -2.703   6.184
  278   1HH1  ARG  46           HH2      ARG  46  10.116  -1.371   9.222
  279   2HH1  ARG  46           HH2      ARG  46   9.400  -2.760   9.967
  280   1HH2  ARG  46           HH1      ARG  46   8.930  -4.452   6.976
  281   2HH2  ARG  46           HH1      ARG  46   8.729  -4.505   8.696
  282    H    TYR  47           H        TYR  47   5.361  -1.258   7.055
  283    HA   TYR  47           HA       TYR  47   2.935   0.239   6.159
  284   1HB   TYR  47          2HB       TYR  47   2.168  -1.882   7.888
  285   2HB   TYR  47          1HB       TYR  47   1.826  -1.731   6.166
  286    HD1  TYR  47           HD1      TYR  47   4.451  -2.859   8.576
  287    HD2  TYR  47           HD2      TYR  47   2.807  -3.193   4.626
  288    HE1  TYR  47           HE1      TYR  47   5.972  -4.767   8.103
  289    HE2  TYR  47           HE2      TYR  47   4.325  -5.102   4.148
  290    HH   TYR  47           HH       TYR  47   6.493  -5.970   4.974
  291    H    ASN  48           H        ASN  48   5.124   1.022   8.021
  292    HA   ASN  48           HA       ASN  48   3.598   1.056  10.561
  293   1HB   ASN  48          2HB       ASN  48   6.525   1.606   9.991
  294   2HB   ASN  48          1HB       ASN  48   5.777   1.786  11.579
  295   1HD2  ASN  48           HD2      ASN  48   6.683  -1.928  10.186
  296   2HD2  ASN  48           HD2      ASN  48   6.942  -0.551   9.227
  297    H    ILE  49           H        ILE  49   4.632   2.940   7.916
  298    HA   ILE  49           HA       ILE  49   4.518   5.515   9.269
  299    HB   ILE  49           HB       ILE  49   5.533   6.231   7.388
  300   1HG1  ILE  49          2HG1      ILE  49   3.150   6.696   6.627
  301   2HG1  ILE  49          1HG1      ILE  49   4.347   6.545   5.341
  302   1HG2  ILE  49          3HG2      ILE  49   6.316   3.905   7.153
  303   2HG2  ILE  49          2HG2      ILE  49   4.898   3.532   6.170
  304   3HG2  ILE  49          1HG2      ILE  49   6.102   4.678   5.583
  305   1HD1  ILE  49           HD1      ILE  49   3.284   3.945   5.972
  306   2HD1  ILE  49           HD1      ILE  49   1.958   5.061   5.646
  307   3HD1  ILE  49           HD1      ILE  49   3.224   4.820   4.442
  308    H    ARG  50           H        ARG  50   2.286   3.448   7.499
  309    HA   ARG  50           HA       ARG  50   0.158   5.287   7.131
  310   1HB   ARG  50          2HB       ARG  50  -0.035   2.342   7.860
  311   2HB   ARG  50          1HB       ARG  50  -1.323   3.312   7.144
  312   1HG   ARG  50          2HG       ARG  50  -0.341   3.333   5.066
  313   2HG   ARG  50          1HG       ARG  50   1.295   3.304   5.725
  314   1HD   ARG  50          2HD       ARG  50   1.080   1.157   4.803
  315   2HD   ARG  50          1HD       ARG  50   0.681   0.888   6.499
  316    HE   ARG  50           HE       ARG  50  -1.654   1.492   4.854
  317   1HH1  ARG  50           HH2      ARG  50   0.421  -0.994   4.359
  318   2HH1  ARG  50           HH2      ARG  50  -0.633  -2.264   4.882
  319   1HH2  ARG  50           HH1      ARG  50  -2.988  -0.110   6.240
  320   2HH2  ARG  50           HH1      ARG  50  -2.566  -1.765   5.946
  321    H    SER  51           H        SER  51   0.962   3.229   9.930
  322    HA   SER  51           HA       SER  51  -1.208   4.121  11.573
  323   1HB   SER  51          2HB       SER  51   0.396   2.129  11.966
  324   2HB   SER  51          1HB       SER  51   1.507   3.322  12.633
  325    HG   SER  51           HG       SER  51   0.121   3.723  14.251
  326    H    HIS  52           H        HIS  52   2.113   5.285  11.110
  327    HA   HIS  52           HA       HIS  52   2.254   7.257  13.081
  328   1HB   HIS  52          2HB       HIS  52   4.211   7.513  11.940
  329   2HB   HIS  52          1HB       HIS  52   3.533   6.757  10.504
  330    HD1  HIS  52           HD1      HIS  52   4.927   9.871  11.546
  331    HD2  HIS  52           HD2      HIS  52   1.724   8.829   9.106
  332    HE1  HIS  52           HE1      HIS  52   4.344  11.937  10.202
  333    H    ILE  53           H        ILE  53   0.510   7.321  10.015
  334    HA   ILE  53           HA       ILE  53  -0.372  10.062  10.240
  335    HB   ILE  53           HB       ILE  53  -1.924   7.839   8.876
  336   1HG1  ILE  53          2HG1      ILE  53   0.506   9.299   7.792
  337   2HG1  ILE  53          1HG1      ILE  53   0.439   7.585   8.203
  338   1HG2  ILE  53          1HG2      ILE  53  -2.920  10.077   8.944
  339   2HG2  ILE  53          3HG2      ILE  53  -1.465  10.758   8.221
  340   3HG2  ILE  53          2HG2      ILE  53  -2.472   9.642   7.296
  341   1HD1  ILE  53           HD1      ILE  53  -1.526   8.772   6.255
  342   2HD1  ILE  53           HD1      ILE  53   0.076   8.266   5.721
  343   3HD1  ILE  53           HD1      ILE  53  -1.028   7.089   6.433
  344    H    GLN  54           H        GLN  54  -1.962   6.954  10.918
  345    HA   GLN  54           HA       GLN  54  -4.380   7.736  11.965
  346   1HB   GLN  54          2HB       GLN  54  -2.606   5.749  13.381
  347   2HB   GLN  54          1HB       GLN  54  -4.363   5.790  13.391
  348   1HG   GLN  54          2HG       GLN  54  -2.678   5.323  10.911
  349   2HG   GLN  54          1HG       GLN  54  -3.432   4.047  11.860
  350   1HE2  GLN  54          2HE2      GLN  54  -5.726   5.057   9.049
  351   2HE2  GLN  54          1HE2      GLN  54  -4.108   4.552   9.097
  352    H    THR  55           H        THR  55  -1.219   8.151  13.460
  353    HA   THR  55           HA       THR  55  -2.361   9.025  15.986
  354    HB   THR  55           HB       THR  55   0.310  10.045  15.509
  355    HG1  THR  55           HG1      THR  55  -0.113   7.277  15.065
  356   1HG2  THR  55          1HG2      THR  55  -0.755   9.479  17.704
  357   2HG2  THR  55          3HG2      THR  55  -0.664   7.775  17.262
  358   3HG2  THR  55          2HG2      THR  55   0.815   8.710  17.471
  359    H    HIS  56           H        HIS  56  -0.820  10.722  13.246
  360    HA   HIS  56           HA       HIS  56  -1.862  13.222  14.383
  361   1HB   HIS  56          2HB       HIS  56  -0.254  14.326  13.217
  362   2HB   HIS  56          1HB       HIS  56   0.526  12.774  13.376
  363    HD1  HIS  56           HD1      HIS  56  -1.382  14.846  10.818
  364    HD2  HIS  56           HD2      HIS  56   1.205  11.602  10.994
  365    HE1  HIS  56           HE1      HIS  56  -0.431  14.538   8.481
  366    H    LEU  57           H        LEU  57  -3.487  11.058  13.094
  367    HA   LEU  57           HA       LEU  57  -5.048  12.892  11.371
  368   1HB   LEU  57          2HB       LEU  57  -3.812  10.360  10.531
  369   2HB   LEU  57          1HB       LEU  57  -5.531  10.475  10.167
  370    HG   LEU  57           HG       LEU  57  -4.956  12.852   9.288
  371   1HD1  LEU  57           HD1      LEU  57  -2.322  11.716   9.923
  372   2HD1  LEU  57           HD1      LEU  57  -2.437  12.351   8.281
  373   3HD1  LEU  57           HD1      LEU  57  -2.787  13.396   9.657
  374   1HD2  LEU  57           HD2      LEU  57  -4.914  10.232   8.103
  375   2HD2  LEU  57           HD2      LEU  57  -5.408  11.757   7.370
  376   3HD2  LEU  57           HD2      LEU  57  -3.722  11.246   7.289
  377    H    GLU  58           H        GLU  58  -4.929  10.625  13.928
  378    HA   GLU  58           HA       GLU  58  -7.577   9.519  13.703
  379   1HB   GLU  58          2HB       GLU  58  -6.008   8.451  15.184
  380   2HB   GLU  58          1HB       GLU  58  -5.743   9.950  16.075
  381   1HG   GLU  58          2HG       GLU  58  -8.101   9.928  16.811
  382   2HG   GLU  58          1HG       GLU  58  -8.358   8.420  15.933
  383    H    ASP  59           H        ASP  59  -6.412  12.013  16.000
  384    HA   ASP  59           HA       ASP  59  -9.144  13.226  15.839
  385   1HB   ASP  59          2HB       ASP  59  -7.873  12.239  18.080
  386   2HB   ASP  59          1HB       ASP  59  -7.488  13.959  18.156
  387    H    ARG  60           H        ARG  60  -6.786  13.784  14.117
  388    HA   ARG  60           HA       ARG  60  -6.089  16.546  14.986
  389   1HB   ARG  60          2HB       ARG  60  -4.648  14.463  13.665
  390   2HB   ARG  60          1HB       ARG  60  -4.797  15.814  12.540
  391   1HG   ARG  60          2HG       ARG  60  -4.176  17.187  14.773
  392   2HG   ARG  60          1HG       ARG  60  -3.364  15.665  15.144
  393   1HD   ARG  60          2HD       ARG  60  -1.844  15.901  13.440
  394   2HD   ARG  60          1HD       ARG  60  -2.992  16.735  12.392
  395    HE   ARG  60           HE       ARG  60  -1.531  18.045  14.648
  396   1HH1  ARG  60           HH2      ARG  60  -4.184  19.051  13.254
  397   2HH1  ARG  60           HH2      ARG  60  -3.514  20.298  12.255
  398   1HH2  ARG  60           HH1      ARG  60  -0.239  19.236  12.673
  399   2HH2  ARG  60           HH1      ARG  60  -1.280  20.403  11.927
   
  No H/Q in entry =         399
  Start of MODEL   25
    1   1H    THR  14          1H        THR  14 -16.993   5.030   6.645
    2   2H    THR  14          3H        THR  14 -17.713   3.551   6.233
    3   3H    THR  14          2H        THR  14 -18.210   4.373   7.633
    4    HA   THR  14           HA       THR  14 -16.846   2.850   8.592
    5    HB   THR  14           HB       THR  14 -16.106   1.544   6.811
    6    HG1  THR  14           HG1      THR  14 -13.743   1.872   6.753
    7   1HG2  THR  14          1HG2      THR  14 -15.371   4.187   5.606
    8   2HG2  THR  14          3HG2      THR  14 -14.573   2.729   5.017
    9   3HG2  THR  14          2HG2      THR  14 -16.327   2.874   4.920
   10    H    LEU  15           H        LEU  15 -15.981   3.946  10.284
   11    HA   LEU  15           HA       LEU  15 -14.601   6.455   9.986
   12   1HB   LEU  15          2HB       LEU  15 -15.748   5.033  12.099
   13   2HB   LEU  15          1HB       LEU  15 -14.029   5.096  12.489
   14    HG   LEU  15           HG       LEU  15 -14.955   7.647  11.457
   15   1HD1  LEU  15           HD1      LEU  15 -16.749   6.245  13.248
   16   2HD1  LEU  15           HD1      LEU  15 -16.104   7.689  14.028
   17   3HD1  LEU  15           HD1      LEU  15 -16.951   7.824  12.487
   18   1HD2  LEU  15           HD2      LEU  15 -13.248   6.517  13.520
   19   2HD2  LEU  15           HD2      LEU  15 -13.157   8.098  12.744
   20   3HD2  LEU  15           HD2      LEU  15 -14.194   7.865  14.151
   21    HA   PRO  16           HA       PRO  16 -10.679   3.931  10.859
   22   1HB   PRO  16          2HB       PRO  16 -10.919   1.204  10.965
   23   2HB   PRO  16          1HB       PRO  16 -11.100   2.259  12.376
   24   1HG   PRO  16          2HG       PRO  16 -13.198   0.812  10.834
   25   2HG   PRO  16          1HG       PRO  16 -13.211   1.340  12.526
   26   1HD   PRO  16          2HD       PRO  16 -14.511   2.629  10.364
   27   2HD   PRO  16          1HD       PRO  16 -14.266   3.297  11.993
   28    H    ARG  17           H        ARG  17  -9.328   3.692   9.098
   29    HA   ARG  17           HA       ARG  17  -8.555   2.974   6.991
   30   1HB   ARG  17          2HB       ARG  17 -10.367   0.924   7.797
   31   2HB   ARG  17          1HB       ARG  17 -10.704   1.297   6.106
   32   1HG   ARG  17          2HG       ARG  17  -8.918  -0.462   6.458
   33   2HG   ARG  17          1HG       ARG  17  -8.407   0.918   5.486
   34   1HD   ARG  17          2HD       ARG  17  -7.976   1.426   8.311
   35   2HD   ARG  17          1HD       ARG  17  -7.156  -0.050   7.804
   36    HE   ARG  17           HE       ARG  17  -6.778   2.452   6.227
   37   1HH1  ARG  17           HH2      ARG  17  -5.577   0.448   8.709
   38   2HH1  ARG  17           HH2      ARG  17  -3.931   0.514   8.174
   39   1HH2  ARG  17           HH1      ARG  17  -4.662   2.297   5.290
   40   2HH2  ARG  17           HH1      ARG  17  -3.413   1.561   6.238
   41    H    GLY  18           H        GLY  18 -10.105   5.326   7.303
   42   1HA   GLY  18          2HA       GLY  18 -11.303   5.479   4.588
   43   2HA   GLY  18          1HA       GLY  18 -12.271   6.028   5.957
   44    H    SER  19           H        SER  19  -8.778   6.414   5.369
   45    HA   SER  19           HA       SER  19  -8.826   9.108   4.502
   46   1HB   SER  19          2HB       SER  19  -9.800   9.852   6.517
   47   2HB   SER  19          1HB       SER  19  -8.874   8.714   7.491
   48    HG   SER  19           HG       SER  19  -8.157  10.988   7.468
   49    H    ILE  20           H        ILE  20  -7.198   6.573   6.302
   50    HA   ILE  20           HA       ILE  20  -4.564   7.721   6.225
   51    HB   ILE  20           HB       ILE  20  -5.005   4.753   6.114
   52   1HG1  ILE  20          2HG1      ILE  20  -6.754   5.360   7.620
   53   2HG1  ILE  20          1HG1      ILE  20  -5.389   4.929   8.647
   54   1HG2  ILE  20          1HG2      ILE  20  -2.911   6.590   6.842
   55   2HG2  ILE  20          3HG2      ILE  20  -3.345   5.612   8.245
   56   3HG2  ILE  20          2HG2      ILE  20  -2.847   4.830   6.745
   57   1HD1  ILE  20           HD1      ILE  20  -4.787   7.449   8.552
   58   2HD1  ILE  20           HD1      ILE  20  -6.440   7.675   7.985
   59   3HD1  ILE  20           HD1      ILE  20  -6.144   6.963   9.568
   60    H    ASP  21           H        ASP  21  -6.264   5.458   4.078
   61    HA   ASP  21           HA       ASP  21  -4.050   5.261   2.213
   62   1HB   ASP  21          2HB       ASP  21  -6.945   4.454   2.186
   63   2HB   ASP  21          1HB       ASP  21  -6.025   4.436   0.681
   64    H    LYS  22           H        LYS  22  -6.442   7.625   2.836
   65    HA   LYS  22           HA       LYS  22  -6.400   8.728   0.101
   66   1HB   LYS  22          2HB       LYS  22  -8.427   8.767   1.680
   67   2HB   LYS  22          1HB       LYS  22  -7.575  10.038   2.558
   68   1HG   LYS  22          2HG       LYS  22  -7.311  11.096   0.153
   69   2HG   LYS  22          1HG       LYS  22  -8.710  10.088  -0.216
   70   1HD   LYS  22          2HD       LYS  22  -9.759  12.026   0.522
   71   2HD   LYS  22          1HD       LYS  22  -9.651  11.116   2.029
   72   1HE   LYS  22          2HE       LYS  22  -7.259  12.724   1.417
   73   2HE   LYS  22          1HE       LYS  22  -8.719  13.674   1.695
   74   1HZ   LYS  22          1HZ       LYS  22  -8.914  11.930   3.672
   75   2HZ   LYS  22          3HZ       LYS  22  -7.225  11.979   3.529
   76   3HZ   LYS  22          2HZ       LYS  22  -8.093  13.409   3.830
   77    H    TYR  23           H        TYR  23  -4.158   8.677   2.425
   78    HA   TYR  23           HA       TYR  23  -3.008  11.246   1.541
   79   1HB   TYR  23          2HB       TYR  23  -4.034  10.724   4.278
   80   2HB   TYR  23          1HB       TYR  23  -2.444  11.481   4.179
   81    HD1  TYR  23           HD2      TYR  23  -2.566  13.141   1.821
   82    HD2  TYR  23           HD1      TYR  23  -5.609  12.395   4.757
   83    HE1  TYR  23           HE2      TYR  23  -3.628  15.310   1.266
   84    HE2  TYR  23           HE1      TYR  23  -6.672  14.567   4.206
   85    HH   TYR  23           HH       TYR  23  -5.517  16.547   1.516
   86    H    VAL  24           H        VAL  24  -2.536   8.186   1.560
   87    HA   VAL  24           HA       VAL  24   0.237   8.285   2.679
   88    HB   VAL  24           HB       VAL  24  -1.349   6.584   3.675
   89   1HG1  VAL  24          3HG1      VAL  24  -2.416   6.179   1.355
   90   2HG1  VAL  24          2HG1      VAL  24  -1.033   5.128   1.050
   91   3HG1  VAL  24          1HG1      VAL  24  -2.137   4.769   2.378
   92   1HG2  VAL  24          2HG2      VAL  24   1.226   6.377   3.449
   93   2HG2  VAL  24          1HG2      VAL  24   0.316   4.906   3.797
   94   3HG2  VAL  24          3HG2      VAL  24   0.881   5.226   2.158
   95    H    LYS  25           H        LYS  25   1.662   8.633   1.036
   96    HA   LYS  25           HA       LYS  25   0.984   7.747  -1.698
   97   1HB   LYS  25          2HB       LYS  25   1.982   9.990  -1.329
   98   2HB   LYS  25          1HB       LYS  25   3.426   9.224  -0.669
   99   1HG   LYS  25          2HG       LYS  25   4.095   9.468  -2.869
  100   2HG   LYS  25          1HG       LYS  25   3.329   7.882  -2.970
  101   1HD   LYS  25          2HD       LYS  25   1.350   9.973  -3.272
  102   2HD   LYS  25          1HD       LYS  25   2.650  10.183  -4.445
  103   1HE   LYS  25          2HE       LYS  25   2.398   7.841  -5.161
  104   2HE   LYS  25          1HE       LYS  25   1.112   7.611  -3.977
  105   1HZ   LYS  25          1HZ       LYS  25   1.009   9.671  -6.106
  106   2HZ   LYS  25          3HZ       LYS  25   0.357   8.116  -6.290
  107   3HZ   LYS  25          2HZ       LYS  25  -0.257   9.158  -5.095
  108    H    GLU  26           H        GLU  26   1.231   5.500  -1.712
  109    HA   GLU  26           HA       GLU  26   3.748   4.338  -0.668
  110   1HB   GLU  26          2HB       GLU  26   2.702   2.184  -1.090
  111   2HB   GLU  26          1HB       GLU  26   1.535   3.219  -0.265
  112   1HG   GLU  26          2HG       GLU  26   1.047   3.835  -2.891
  113   2HG   GLU  26          1HG       GLU  26   1.468   2.125  -3.002
  114    H    MET  27           H        MET  27   5.468   4.079  -2.008
  115    HA   MET  27           HA       MET  27   4.987   4.243  -4.940
  116   1HB   MET  27          2HB       MET  27   6.775   5.608  -3.436
  117   2HB   MET  27          1HB       MET  27   7.760   4.215  -3.882
  118   1HG   MET  27          2HG       MET  27   7.510   4.640  -6.202
  119   2HG   MET  27          1HG       MET  27   6.158   5.742  -5.935
  120   1HE   MET  27          3HE       MET  27   6.258   8.018  -5.922
  121   2HE   MET  27          2HE       MET  27   6.585   7.955  -4.192
  122   3HE   MET  27          1HE       MET  27   7.507   9.052  -5.217
  123    HA   PRO  28           HA       PRO  28   5.779  -0.077  -5.273
  124   1HB   PRO  28          2HB       PRO  28   6.275  -0.125  -7.983
  125   2HB   PRO  28          1HB       PRO  28   4.652  -0.024  -7.278
  126   1HG   PRO  28          2HG       PRO  28   6.287   2.131  -8.553
  127   2HG   PRO  28          1HG       PRO  28   4.526   1.953  -8.480
  128   1HD   PRO  28          2HD       PRO  28   6.030   3.685  -6.868
  129   2HD   PRO  28          1HD       PRO  28   4.378   3.138  -6.513
  130    H    ASP  29           H        ASP  29   8.060   2.384  -5.812
  131    HA   ASP  29           HA       ASP  29  10.255   0.518  -6.448
  132   1HB   ASP  29          2HB       ASP  29  11.626   2.454  -6.729
  133   2HB   ASP  29          1HB       ASP  29  10.064   2.884  -7.426
  134    H    LYS  30           H        LYS  30   8.600   0.755  -3.834
  135    HA   LYS  30           HA       LYS  30   9.071   0.211  -1.616
  136   1HB   LYS  30          2HB       LYS  30  11.975   0.546  -2.373
  137   2HB   LYS  30          1HB       LYS  30  11.350  -0.267  -0.944
  138   1HG   LYS  30          2HG       LYS  30  10.059  -1.448  -3.170
  139   2HG   LYS  30          1HG       LYS  30  11.771  -1.341  -3.584
  140   1HD   LYS  30          2HD       LYS  30  11.908  -2.181  -0.983
  141   2HD   LYS  30          1HD       LYS  30  10.433  -2.984  -1.527
  142   1HE   LYS  30          2HE       LYS  30  11.942  -4.558  -2.250
  143   2HE   LYS  30          1HE       LYS  30  11.998  -3.495  -3.656
  144   1HZ   LYS  30          2HZ       LYS  30  13.789  -3.085  -1.343
  145   2HZ   LYS  30          1HZ       LYS  30  14.195  -4.161  -2.593
  146   3HZ   LYS  30          3HZ       LYS  30  13.963  -2.516  -2.934
  147    H    THR  31           H        THR  31   8.212   2.672  -2.093
  148    HA   THR  31           HA       THR  31   9.903   4.348  -0.317
  149    HB   THR  31           HB       THR  31   8.437   5.625  -2.579
  150    HG1  THR  31           HG1      THR  31  10.930   4.300  -2.690
  151   1HG2  THR  31          3HG2      THR  31  10.659   6.259  -0.701
  152   2HG2  THR  31          2HG2      THR  31  10.725   6.981  -2.308
  153   3HG2  THR  31          1HG2      THR  31   9.337   7.283  -1.263
  154    H    PHE  32           H        PHE  32   8.463   6.437   0.227
  155    HA   PHE  32           HA       PHE  32   5.591   5.948   0.334
  156   1HB   PHE  32          2HB       PHE  32   7.336   5.153   2.573
  157   2HB   PHE  32          1HB       PHE  32   6.003   6.209   3.042
  158    HD1  PHE  32           HD2      PHE  32   3.658   5.596   1.981
  159    HD2  PHE  32           HD1      PHE  32   6.942   2.859   2.391
  160    HE1  PHE  32           HE2      PHE  32   2.086   3.686   1.817
  161    HE2  PHE  32           HE1      PHE  32   5.370   0.948   2.228
  162    HZ   PHE  32           HZ       PHE  32   2.941   1.361   1.940
  163    H    GLU  33           H        GLU  33   4.471   7.863   1.031
  164    HA   GLU  33           HA       GLU  33   6.046  10.114   2.064
  165   1HB   GLU  33          2HB       GLU  33   5.823   9.799  -0.718
  166   2HB   GLU  33          1HB       GLU  33   4.650  11.049  -0.298
  167   1HG   GLU  33          2HG       GLU  33   6.260  12.523   0.394
  168   2HG   GLU  33          1HG       GLU  33   7.306  11.247   1.020
  169    H    CYS  34           H        CYS  34   4.556  10.203   3.773
  170    HA   CYS  34           HA       CYS  34   1.731  10.107   3.590
  171   1HB   CYS  34          2HB       CYS  34   3.122  10.113   5.703
  172   2HB   CYS  34          1HB       CYS  34   3.360  11.842   5.474
  173    H    LEU  35           H        LEU  35   0.801  11.323   1.930
  174    HA   LEU  35           HA       LEU  35   1.721  14.023   1.343
  175   1HB   LEU  35          2HB       LEU  35  -0.299  14.029  -0.200
  176   2HB   LEU  35          1HB       LEU  35   0.893  12.768  -0.511
  177    HG   LEU  35           HG       LEU  35  -1.157  11.979   1.438
  178   1HD1  LEU  35           HD1      LEU  35  -1.935  12.550  -1.441
  179   2HD1  LEU  35           HD1      LEU  35  -2.932  11.691  -0.268
  180   3HD1  LEU  35           HD1      LEU  35  -2.552  13.395  -0.022
  181   1HD2  LEU  35           HD2      LEU  35   0.634  10.599   0.155
  182   2HD2  LEU  35           HD2      LEU  35  -0.985   9.916   0.298
  183   3HD2  LEU  35           HD2      LEU  35  -0.484  10.690  -1.206
  184    H    PHE  36           H        PHE  36   0.161  13.087   3.995
  185    HA   PHE  36           HA       PHE  36  -2.227  14.611   4.127
  186   1HB   PHE  36          2HB       PHE  36  -1.580  13.079   5.914
  187   2HB   PHE  36          1HB       PHE  36  -0.156  14.055   6.272
  188    HD1  PHE  36           HD2      PHE  36  -0.466  16.436   7.086
  189    HD2  PHE  36           HD1      PHE  36  -3.700  13.625   6.822
  190    HE1  PHE  36           HE2      PHE  36  -1.800  17.825   8.644
  191    HE2  PHE  36           HE1      PHE  36  -5.035  15.014   8.379
  192    HZ   PHE  36           HZ       PHE  36  -4.088  17.119   9.290
  193    HA   PRO  37           HA       PRO  37  -0.635  18.710   3.845
  194   1HB   PRO  37          2HB       PRO  37  -2.851  20.032   4.809
  195   2HB   PRO  37          1HB       PRO  37  -2.743  19.362   3.172
  196   1HG   PRO  37          2HG       PRO  37  -4.235  18.314   5.537
  197   2HG   PRO  37          1HG       PRO  37  -4.584  18.115   3.812
  198   1HD   PRO  37          2HD       PRO  37  -3.394  16.174   5.473
  199   2HD   PRO  37          1HD       PRO  37  -3.394  16.155   3.698
  200    H    GLY  38           H        GLY  38   0.972  19.002   5.334
  201   1HA   GLY  38          2HA       GLY  38   1.375  20.493   7.351
  202   2HA   GLY  38          1HA       GLY  38   0.159  19.503   8.168
  203    H    CYS  39           H        CYS  39   1.280  17.165   6.505
  204    HA   CYS  39           HA       CYS  39   3.049  16.142   8.554
  205   1HB   CYS  39          2HB       CYS  39   1.522  14.819   6.953
  206   2HB   CYS  39          1HB       CYS  39   2.797  15.037   5.754
  207    H    THR  40           H        THR  40   5.296  15.283   7.935
  208    HA   THR  40           HA       THR  40   6.694  16.682   5.785
  209    HB   THR  40           HB       THR  40   8.027  17.263   8.336
  210    HG1  THR  40           HG1      THR  40   5.813  18.871   7.759
  211   1HG2  THR  40          1HG2      THR  40   8.659  18.131   6.073
  212   2HG2  THR  40          3HG2      THR  40   7.152  19.045   6.049
  213   3HG2  THR  40          2HG2      THR  40   8.384  19.407   7.258
  214    H    LYS  41           H        LYS  41   6.224  13.905   6.796
  215    HA   LYS  41           HA       LYS  41   9.102  13.125   6.982
  216   1HB   LYS  41          2HB       LYS  41   7.477  12.993   9.156
  217   2HB   LYS  41          1HB       LYS  41   7.171  11.412   8.439
  218   1HG   LYS  41          2HG       LYS  41   9.067  10.755   9.487
  219   2HG   LYS  41          1HG       LYS  41   9.917  11.648   8.225
  220   1HD   LYS  41          2HD       LYS  41  10.777  12.482  10.290
  221   2HD   LYS  41          1HD       LYS  41   9.658  13.714   9.708
  222   1HE   LYS  41          2HE       LYS  41   8.146  13.324  11.381
  223   2HE   LYS  41          1HE       LYS  41   8.475  11.591  11.413
  224   1HZ   LYS  41          2HZ       LYS  41  10.596  12.078  12.507
  225   2HZ   LYS  41          1HZ       LYS  41  10.201  13.730  12.537
  226   3HZ   LYS  41          3HZ       LYS  41   9.271  12.622  13.422
  227    H    THR  42           H        THR  42   9.636  11.352   5.724
  228    HA   THR  42           HA       THR  42   7.377   9.976   4.319
  229    HB   THR  42           HB       THR  42   8.531  10.033   2.299
  230    HG1  THR  42           HG1      THR  42  10.660   9.925   2.163
  231   1HG2  THR  42          2HG2      THR  42   7.973  12.356   3.215
  232   2HG2  THR  42          1HG2      THR  42   9.693  12.507   3.577
  233   3HG2  THR  42          3HG2      THR  42   9.158  12.290   1.911
  234    H    PHE  43           H        PHE  43   8.196   7.768   3.410
  235    HA   PHE  43           HA       PHE  43  10.269   6.547   5.144
  236   1HB   PHE  43          2HB       PHE  43   7.631   5.142   4.856
  237   2HB   PHE  43          1HB       PHE  43   8.864   4.945   6.104
  238    HD1  PHE  43           HD1      PHE  43   6.410   7.421   4.744
  239    HD2  PHE  43           HD2      PHE  43   8.704   6.127   8.137
  240    HE1  PHE  43           HE1      PHE  43   5.250   9.092   6.164
  241    HE2  PHE  43           HE2      PHE  43   7.545   7.798   9.558
  242    HZ   PHE  43           HZ       PHE  43   5.818   9.281   8.571
  243    H    LYS  44           H        LYS  44  10.104   3.950   4.427
  244    HA   LYS  44           HA       LYS  44   9.859   3.867   1.464
  245   1HB   LYS  44          2HB       LYS  44  12.342   3.582   3.076
  246   2HB   LYS  44          1HB       LYS  44  12.124   2.430   1.758
  247   1HG   LYS  44          2HG       LYS  44  12.771   4.008   0.294
  248   2HG   LYS  44          1HG       LYS  44  11.384   4.992   0.764
  249   1HD   LYS  44          2HD       LYS  44  12.899   6.483   1.539
  250   2HD   LYS  44          1HD       LYS  44  13.146   5.354   2.872
  251   1HE   LYS  44          2HE       LYS  44  14.631   4.957   0.289
  252   2HE   LYS  44          1HE       LYS  44  15.214   6.136   1.464
  253   1HZ   LYS  44          2HZ       LYS  44  15.055   4.301   3.146
  254   2HZ   LYS  44          1HZ       LYS  44  14.822   3.226   1.851
  255   3HZ   LYS  44          3HZ       LYS  44  16.266   4.107   1.970
  256    H    ARG  45           H        ARG  45   8.596   2.142   1.007
  257    HA   ARG  45           HA       ARG  45   7.382   0.146   1.424
  258   1HB   ARG  45          2HB       ARG  45   8.876  -1.802   1.349
  259   2HB   ARG  45          1HB       ARG  45   9.427  -0.563   0.220
  260   1HG   ARG  45          2HG       ARG  45  11.220   0.076   1.601
  261   2HG   ARG  45          1HG       ARG  45  10.497  -0.653   3.034
  262   1HD   ARG  45          2HD       ARG  45  10.799  -2.724   1.113
  263   2HD   ARG  45          1HD       ARG  45  12.322  -1.837   1.164
  264    HE   ARG  45           HE       ARG  45  11.754  -2.186   3.826
  265   1HH1  ARG  45           HH2      ARG  45  10.190  -4.576   2.553
  266   2HH1  ARG  45           HH2      ARG  45  11.342  -5.845   2.803
  267   1HH2  ARG  45           HH1      ARG  45  13.959  -3.687   3.525
  268   2HH2  ARG  45           HH1      ARG  45  13.476  -5.341   3.356
  269    H    ARG  46           H        ARG  46   7.202   1.555   3.757
  270    HA   ARG  46           HA       ARG  46   7.779  -0.523   5.833
  271   1HB   ARG  46          2HB       ARG  46   8.511   2.262   5.750
  272   2HB   ARG  46          1HB       ARG  46   7.413   1.983   7.102
  273   1HG   ARG  46          2HG       ARG  46   9.063  -0.203   7.275
  274   2HG   ARG  46          1HG       ARG  46  10.178   1.040   6.704
  275   1HD   ARG  46          2HD       ARG  46   8.996   2.498   8.574
  276   2HD   ARG  46          1HD       ARG  46   8.623   0.917   9.262
  277    HE   ARG  46           HE       ARG  46  11.044   0.493   9.415
  278   1HH1  ARG  46           HH2      ARG  46  10.513   3.381   7.725
  279   2HH1  ARG  46           HH2      ARG  46  11.794   4.257   8.495
  280   1HH2  ARG  46           HH1      ARG  46  12.505   1.738  10.770
  281   2HH2  ARG  46           HH1      ARG  46  12.922   3.326  10.219
  282    H    TYR  47           H        TYR  47   6.126  -0.845   7.412
  283    HA   TYR  47           HA       TYR  47   3.460   0.226   6.600
  284   1HB   TYR  47          2HB       TYR  47   3.137  -1.932   8.414
  285   2HB   TYR  47          1HB       TYR  47   2.754  -1.919   6.695
  286    HD1  TYR  47           HD2      TYR  47   4.404  -2.700   5.036
  287    HD2  TYR  47           HD1      TYR  47   5.150  -2.947   9.255
  288    HE1  TYR  47           HE2      TYR  47   6.261  -4.296   4.609
  289    HE2  TYR  47           HE1      TYR  47   7.009  -4.542   8.834
  290    HH   TYR  47           HH       TYR  47   8.470  -4.943   5.968
  291    H    ASN  48           H        ASN  48   5.628   1.279   8.511
  292    HA   ASN  48           HA       ASN  48   4.018   1.258  10.998
  293   1HB   ASN  48          2HB       ASN  48   6.910   1.605  10.389
  294   2HB   ASN  48          1HB       ASN  48   6.268   2.573  11.718
  295   1HD2  ASN  48           HD2      ASN  48   6.782  -1.419  12.208
  296   2HD2  ASN  48           HD2      ASN  48   7.190  -0.648  10.753
  297    H    ILE  49           H        ILE  49   4.896   3.114   8.302
  298    HA   ILE  49           HA       ILE  49   4.527   5.729   9.511
  299    HB   ILE  49           HB       ILE  49   5.520   6.397   7.607
  300   1HG1  ILE  49          2HG1      ILE  49   3.093   6.684   6.860
  301   2HG1  ILE  49          1HG1      ILE  49   4.303   6.609   5.581
  302   1HG2  ILE  49          2HG2      ILE  49   5.036   3.610   6.530
  303   2HG2  ILE  49          1HG2      ILE  49   6.119   4.805   5.824
  304   3HG2  ILE  49          3HG2      ILE  49   6.461   4.147   7.422
  305   1HD1  ILE  49           HD1      ILE  49   3.414   3.946   6.249
  306   2HD1  ILE  49           HD1      ILE  49   2.027   4.968   5.871
  307   3HD1  ILE  49           HD1      ILE  49   3.331   4.785   4.698
  308    H    ARG  50           H        ARG  50   2.507   3.400   7.796
  309    HA   ARG  50           HA       ARG  50   0.225   5.031   7.375
  310   1HB   ARG  50          2HB       ARG  50  -1.076   2.913   7.472
  311   2HB   ARG  50          1HB       ARG  50   0.377   2.741   6.484
  312   1HG   ARG  50          2HG       ARG  50   1.561   1.691   8.347
  313   2HG   ARG  50          1HG       ARG  50   0.168   1.936   9.401
  314   1HD   ARG  50          2HD       ARG  50   0.251  -0.379   8.506
  315   2HD   ARG  50          1HD       ARG  50  -1.197   0.479   7.980
  316    HE   ARG  50           HE       ARG  50   0.885   0.818   6.032
  317   1HH1  ARG  50           HH2      ARG  50  -0.986  -1.694   7.453
  318   2HH1  ARG  50           HH2      ARG  50  -1.255  -2.525   5.958
  319   1HH2  ARG  50           HH1      ARG  50   0.398  -0.161   4.036
  320   2HH2  ARG  50           HH1      ARG  50  -0.471  -1.658   4.025
  321    H    SER  51           H        SER  51   1.318   3.249  10.240
  322    HA   SER  51           HA       SER  51  -0.987   3.936  11.851
  323   1HB   SER  51          2HB       SER  51   0.822   2.085  12.246
  324   2HB   SER  51          1HB       SER  51   1.751   3.386  12.987
  325    HG   SER  51           HG       SER  51  -0.947   2.879  13.668
  326    H    HIS  52           H        HIS  52   2.137   5.404  11.168
  327    HA   HIS  52           HA       HIS  52   2.155   7.391  13.187
  328   1HB   HIS  52          2HB       HIS  52   4.148   7.668  12.116
  329   2HB   HIS  52          1HB       HIS  52   3.545   6.873  10.667
  330    HD1  HIS  52           HD1      HIS  52   4.789  10.045  11.737
  331    HD2  HIS  52           HD2      HIS  52   1.744   8.864   9.156
  332    HE1  HIS  52           HE1      HIS  52   4.202  12.076  10.340
  333    H    ILE  53           H        ILE  53   0.579   7.346  10.017
  334    HA   ILE  53           HA       ILE  53  -0.412  10.040  10.155
  335    HB   ILE  53           HB       ILE  53  -1.630   7.629   8.749
  336   1HG1  ILE  53          2HG1      ILE  53   0.438   9.660   7.859
  337   2HG1  ILE  53          1HG1      ILE  53   0.643   7.912   7.985
  338   1HG2  ILE  53          2HG2      ILE  53  -2.004  10.614   8.444
  339   2HG2  ILE  53          1HG2      ILE  53  -2.515   9.452   7.220
  340   3HG2  ILE  53          3HG2      ILE  53  -3.231   9.407   8.830
  341   1HD1  ILE  53           HD1      ILE  53  -1.421   7.883   6.321
  342   2HD1  ILE  53           HD1      ILE  53  -0.843   9.503   5.930
  343   3HD1  ILE  53           HD1      ILE  53   0.220   8.113   5.715
  344    H    GLN  54           H        GLN  54  -2.170   6.976  10.622
  345    HA   GLN  54           HA       GLN  54  -4.555   7.834  11.644
  346   1HB   GLN  54          2HB       GLN  54  -2.946   5.446  11.950
  347   2HB   GLN  54          1HB       GLN  54  -3.798   5.805  13.451
  348   1HG   GLN  54          2HG       GLN  54  -5.773   5.187  12.565
  349   2HG   GLN  54          1HG       GLN  54  -5.526   6.218  11.156
  350   1HE2  GLN  54          2HE2      GLN  54  -3.534   3.403   9.616
  351   2HE2  GLN  54          1HE2      GLN  54  -3.118   4.958  10.156
  352    H    THR  55           H        THR  55  -1.433   8.074  13.251
  353    HA   THR  55           HA       THR  55  -2.670   8.832  15.788
  354    HB   THR  55           HB       THR  55   0.044   9.758  15.588
  355    HG1  THR  55           HG1      THR  55   0.975   7.724  15.057
  356   1HG2  THR  55          2HG2      THR  55  -1.572   8.496  17.412
  357   2HG2  THR  55          1HG2      THR  55  -0.471   7.199  16.947
  358   3HG2  THR  55          3HG2      THR  55   0.169   8.709  17.594
  359    H    HIS  56           H        HIS  56  -0.931  10.561  13.203
  360    HA   HIS  56           HA       HIS  56  -1.913  13.077  14.369
  361   1HB   HIS  56          2HB       HIS  56  -0.123  14.090  13.437
  362   2HB   HIS  56          1HB       HIS  56   0.518  12.466  13.420
  363    HD1  HIS  56           HD1      HIS  56  -1.179  14.959  11.092
  364    HD2  HIS  56           HD2      HIS  56   1.183  11.546  10.932
  365    HE1  HIS  56           HE1      HIS  56  -0.234  14.834   8.736
  366    H    LEU  57           H        LEU  57  -3.532  11.027  12.939
  367    HA   LEU  57           HA       LEU  57  -4.836  12.909  11.055
  368   1HB   LEU  57          2HB       LEU  57  -3.703  10.303  10.401
  369   2HB   LEU  57          1HB       LEU  57  -5.422  10.386  10.026
  370    HG   LEU  57           HG       LEU  57  -4.044  11.159   8.122
  371   1HD1  LEU  57           HD1      LEU  57  -6.324  12.149   8.702
  372   2HD1  LEU  57           HD1      LEU  57  -5.453  13.513   9.404
  373   3HD1  LEU  57           HD1      LEU  57  -5.293  13.154   7.684
  374   1HD2  LEU  57           HD2      LEU  57  -2.398  12.199  10.032
  375   2HD2  LEU  57           HD2      LEU  57  -2.375  12.706   8.343
  376   3HD2  LEU  57           HD2      LEU  57  -3.272  13.647   9.534
  377    H    GLU  58           H        GLU  58  -5.062  10.526  13.582
  378    HA   GLU  58           HA       GLU  58  -7.724   9.658  13.357
  379   1HB   GLU  58          2HB       GLU  58  -7.688   9.554  15.872
  380   2HB   GLU  58          1HB       GLU  58  -6.289   8.798  15.109
  381   1HG   GLU  58          2HG       GLU  58  -4.846  10.515  15.736
  382   2HG   GLU  58          1HG       GLU  58  -6.149  11.698  15.868
  383    H    ASP  59           H        ASP  59  -6.535  12.848  13.955
  384    HA   ASP  59           HA       ASP  59  -9.146  14.015  13.720
  385   1HB   ASP  59          2HB       ASP  59  -8.500  13.095  16.326
  386   2HB   ASP  59          1HB       ASP  59  -8.371  14.854  16.362
  387    H    ARG  60           H        ARG  60  -5.826  14.357  14.902
  388    HA   ARG  60           HA       ARG  60  -5.874  17.249  14.245
  389   1HB   ARG  60          2HB       ARG  60  -4.374  15.569  16.058
  390   2HB   ARG  60          1HB       ARG  60  -3.271  16.469  15.015
  391   1HG   ARG  60          2HG       ARG  60  -5.313  18.282  15.759
  392   2HG   ARG  60          1HG       ARG  60  -4.842  17.434  17.233
  393   1HD   ARG  60          2HD       ARG  60  -2.400  17.880  16.404
  394   2HD   ARG  60          1HD       ARG  60  -3.153  19.126  15.408
  395    HE   ARG  60           HE       ARG  60  -4.181  19.775  17.806
  396   1HH1  ARG  60           HH2      ARG  60  -1.906  17.985  18.904
  397   2HH1  ARG  60           HH2      ARG  60  -0.725  19.190  19.294
  398   1HH2  ARG  60           HH1      ARG  60  -2.272  21.683  17.446
  399   2HH2  ARG  60           HH1      ARG  60  -0.932  21.283  18.467
   
  No H/Q in entry =         399
  Start of MODEL   26
    1   1H    THR  14          1H        THR  14 -19.113   2.510   1.043
    2   2H    THR  14          3H        THR  14 -20.046   3.797   0.452
    3   3H    THR  14          2H        THR  14 -18.631   3.328  -0.366
    4    HA   THR  14           HA       THR  14 -18.053   5.265   0.806
    5    HB   THR  14           HB       THR  14 -18.720   4.282   3.493
    6    HG1  THR  14           HG1      THR  14 -20.879   5.170   1.935
    7   1HG2  THR  14          2HG2      THR  14 -18.599   6.769   1.939
    8   2HG2  THR  14          1HG2      THR  14 -19.945   6.717   3.076
    9   3HG2  THR  14          3HG2      THR  14 -18.294   6.499   3.655
   10    H    LEU  15           H        LEU  15 -16.331   5.380   2.706
   11    HA   LEU  15           HA       LEU  15 -15.047   2.921   3.495
   12   1HB   LEU  15          2HB       LEU  15 -14.527   3.037   1.005
   13   2HB   LEU  15          1HB       LEU  15 -13.584   4.486   1.357
   14    HG   LEU  15           HG       LEU  15 -12.266   3.151   3.024
   15   1HD1  LEU  15           HD1      LEU  15 -14.315   1.198   2.316
   16   2HD1  LEU  15           HD1      LEU  15 -12.688   0.541   2.141
   17   3HD1  LEU  15           HD1      LEU  15 -13.207   1.209   3.688
   18   1HD2  LEU  15           HD2      LEU  15 -12.105   3.177   0.212
   19   2HD2  LEU  15           HD2      LEU  15 -10.805   2.799   1.342
   20   3HD2  LEU  15           HD2      LEU  15 -11.804   1.504   0.682
   21    HA   PRO  16           HA       PRO  16 -13.846   6.832   5.668
   22   1HB   PRO  16          2HB       PRO  16 -14.934   6.122   8.092
   23   2HB   PRO  16          1HB       PRO  16 -15.825   7.004   6.840
   24   1HG   PRO  16          2HG       PRO  16 -16.063   4.144   7.651
   25   2HG   PRO  16          1HG       PRO  16 -17.273   5.206   6.912
   26   1HD   PRO  16          2HD       PRO  16 -15.760   3.226   5.567
   27   2HD   PRO  16          1HD       PRO  16 -16.724   4.506   4.800
   28    H    ARG  17           H        ARG  17 -11.665   6.552   6.069
   29    HA   ARG  17           HA       ARG  17 -10.898   4.471   8.050
   30   1HB   ARG  17          2HB       ARG  17 -10.133   4.603   5.270
   31   2HB   ARG  17          1HB       ARG  17  -8.710   4.799   6.294
   32   1HG   ARG  17          2HG       ARG  17 -10.752   2.589   6.654
   33   2HG   ARG  17          1HG       ARG  17  -9.250   2.399   5.748
   34   1HD   ARG  17          2HD       ARG  17  -8.287   1.848   7.716
   35   2HD   ARG  17          1HD       ARG  17  -8.426   3.553   8.141
   36    HE   ARG  17           HE       ARG  17 -10.859   2.672   8.904
   37   1HH1  ARG  17           HH1      ARG  17 -10.342  -0.116   9.101
   38   2HH1  ARG  17           HH1      ARG  17  -9.570  -0.324  10.637
   39   1HH2  ARG  17           HH2      ARG  17  -8.728   3.023  10.967
   40   2HH2  ARG  17           HH2      ARG  17  -8.655   1.451  11.693
   41    H    GLY  18           H        GLY  18 -11.361   7.358   8.315
   42   1HA   GLY  18          2HA       GLY  18 -10.342   9.083   9.550
   43   2HA   GLY  18          1HA       GLY  18  -8.947   8.026   9.769
   44    H    SER  19           H        SER  19  -9.577   8.102   6.515
   45    HA   SER  19           HA       SER  19  -8.771   9.409   4.716
   46   1HB   SER  19          2HB       SER  19  -7.347  11.326   6.501
   47   2HB   SER  19          1HB       SER  19  -8.249  11.630   5.019
   48    HG   SER  19           HG       SER  19  -9.561  12.362   6.587
   49    H    ILE  20           H        ILE  20  -7.328   7.463   6.680
   50    HA   ILE  20           HA       ILE  20  -4.526   8.037   6.515
   51    HB   ILE  20           HB       ILE  20  -6.142   5.520   6.935
   52   1HG1  ILE  20          2HG1      ILE  20  -5.621   5.766   9.180
   53   2HG1  ILE  20          1HG1      ILE  20  -4.114   6.617   8.852
   54   1HG2  ILE  20          3HG2      ILE  20  -3.162   5.839   6.623
   55   2HG2  ILE  20          2HG2      ILE  20  -3.854   4.527   7.578
   56   3HG2  ILE  20          1HG2      ILE  20  -4.227   4.659   5.859
   57   1HD1  ILE  20           HD1      ILE  20  -5.461   8.593   8.113
   58   2HD1  ILE  20           HD1      ILE  20  -6.920   7.732   8.598
   59   3HD1  ILE  20           HD1      ILE  20  -5.715   8.177   9.806
   60    H    ASP  21           H        ASP  21  -6.499   5.718   4.654
   61    HA   ASP  21           HA       ASP  21  -4.430   5.277   2.684
   62   1HB   ASP  21          2HB       ASP  21  -7.210   4.408   3.140
   63   2HB   ASP  21          1HB       ASP  21  -6.769   4.542   1.437
   64    H    LYS  22           H        LYS  22  -6.590   7.839   3.218
   65    HA   LYS  22           HA       LYS  22  -6.673   8.621   0.358
   66   1HB   LYS  22          2HB       LYS  22  -8.549   8.883   2.292
   67   2HB   LYS  22          1HB       LYS  22  -7.737  10.441   2.452
   68   1HG   LYS  22          2HG       LYS  22  -8.038   9.946  -0.330
   69   2HG   LYS  22          1HG       LYS  22  -9.593   9.598   0.429
   70   1HD   LYS  22          2HD       LYS  22  -8.209  12.051   1.367
   71   2HD   LYS  22          1HD       LYS  22  -8.831  12.096  -0.283
   72   1HE   LYS  22          2HE       LYS  22 -10.723  10.908   1.612
   73   2HE   LYS  22          1HE       LYS  22 -10.319  12.579   2.003
   74   1HZ   LYS  22          2HZ       LYS  22 -10.805  13.155  -0.326
   75   2HZ   LYS  22          1HZ       LYS  22 -11.320  11.559  -0.599
   76   3HZ   LYS  22          3HZ       LYS  22 -12.161  12.545   0.495
   77    H    TYR  23           H        TYR  23  -4.354   8.736   2.563
   78    HA   TYR  23           HA       TYR  23  -3.197  11.195   1.431
   79   1HB   TYR  23          2HB       TYR  23  -4.105  10.940   4.266
   80   2HB   TYR  23          1HB       TYR  23  -2.573  11.763   3.968
   81    HD1  TYR  23           HD2      TYR  23  -2.791  13.295   1.646
   82    HD2  TYR  23           HD1      TYR  23  -5.903  12.400   4.467
   83    HE1  TYR  23           HE2      TYR  23  -4.018  15.330   0.938
   84    HE2  TYR  23           HE1      TYR  23  -7.131  14.435   3.758
   85    HH   TYR  23           HH       TYR  23  -6.172  16.834   2.558
   86    H    VAL  24           H        VAL  24  -2.528   8.415   1.202
   87    HA   VAL  24           HA       VAL  24   0.150   8.459   2.517
   88    HB   VAL  24           HB       VAL  24  -1.591   6.834   3.525
   89   1HG1  VAL  24          1HG1      VAL  24  -2.013   6.134   0.927
   90   2HG1  VAL  24          3HG1      VAL  24  -0.858   4.894   1.415
   91   3HG1  VAL  24          2HG1      VAL  24  -2.374   5.082   2.296
   92   1HG2  VAL  24          1HG2      VAL  24   0.861   6.710   3.912
   93   2HG2  VAL  24          3HG2      VAL  24   0.131   5.106   3.838
   94   3HG2  VAL  24          2HG2      VAL  24   1.027   5.731   2.454
   95    H    LYS  25           H        LYS  25   1.846   7.851   1.166
   96    HA   LYS  25           HA       LYS  25   1.075   7.146  -1.638
   97   1HB   LYS  25          2HB       LYS  25   2.385   9.379  -0.930
   98   2HB   LYS  25          1HB       LYS  25   3.765   8.286  -1.041
   99   1HG   LYS  25          2HG       LYS  25   3.425   9.319  -3.213
  100   2HG   LYS  25          1HG       LYS  25   2.977   7.617  -3.326
  101   1HD   LYS  25          2HD       LYS  25   0.628   8.153  -3.157
  102   2HD   LYS  25          1HD       LYS  25   0.990   9.841  -2.800
  103   1HE   LYS  25          2HE       LYS  25   1.790   8.468  -5.379
  104   2HE   LYS  25          1HE       LYS  25   0.315   9.417  -5.194
  105   1HZ   LYS  25          3HZ       LYS  25   2.277  11.011  -4.170
  106   2HZ   LYS  25          2HZ       LYS  25   3.013  10.299  -5.526
  107   3HZ   LYS  25          1HZ       LYS  25   1.563  11.167  -5.700
  108    H    GLU  26           H        GLU  26   1.890   5.255  -2.449
  109    HA   GLU  26           HA       GLU  26   4.058   3.910  -0.885
  110   1HB   GLU  26          2HB       GLU  26   1.847   2.441  -2.333
  111   2HB   GLU  26          1HB       GLU  26   2.973   1.804  -1.133
  112   1HG   GLU  26          2HG       GLU  26   1.921   3.598   0.448
  113   2HG   GLU  26          1HG       GLU  26   0.598   3.607  -0.720
  114    H    MET  27           H        MET  27   5.760   4.357  -2.287
  115    HA   MET  27           HA       MET  27   5.405   4.019  -5.183
  116   1HB   MET  27          2HB       MET  27   7.955   4.537  -3.628
  117   2HB   MET  27          1HB       MET  27   7.706   4.773  -5.358
  118   1HG   MET  27          2HG       MET  27   5.910   6.184  -3.410
  119   2HG   MET  27          1HG       MET  27   7.520   6.830  -3.724
  120   1HE   MET  27          1HE       MET  27   4.152   6.485  -4.396
  121   2HE   MET  27          3HE       MET  27   3.771   7.321  -5.908
  122   3HE   MET  27          2HE       MET  27   4.161   5.602  -5.920
  123    HA   PRO  28           HA       PRO  28   6.587  -0.227  -5.132
  124   1HB   PRO  28          2HB       PRO  28   7.120  -0.460  -7.825
  125   2HB   PRO  28          1HB       PRO  28   5.485  -0.451  -7.140
  126   1HG   PRO  28          2HG       PRO  28   6.926   1.722  -8.599
  127   2HG   PRO  28          1HG       PRO  28   5.186   1.397  -8.499
  128   1HD   PRO  28          2HD       PRO  28   6.545   3.385  -7.049
  129   2HD   PRO  28          1HD       PRO  28   4.931   2.753  -6.659
  130    H    ASP  29           H        ASP  29   8.628   2.385  -5.919
  131    HA   ASP  29           HA       ASP  29  11.003   0.722  -6.412
  132   1HB   ASP  29          2HB       ASP  29  12.179   2.783  -6.731
  133   2HB   ASP  29          1HB       ASP  29  10.598   3.011  -7.480
  134    H    LYS  30           H        LYS  30   9.266   1.064  -3.787
  135    HA   LYS  30           HA       LYS  30   9.787   0.558  -1.564
  136   1HB   LYS  30          2HB       LYS  30  12.643   1.247  -2.229
  137   2HB   LYS  30          1HB       LYS  30  12.066   0.320  -0.851
  138   1HG   LYS  30          2HG       LYS  30  11.118  -1.343  -2.540
  139   2HG   LYS  30          1HG       LYS  30  12.060  -0.492  -3.765
  140   1HD   LYS  30          2HD       LYS  30  13.571  -2.137  -3.127
  141   2HD   LYS  30          1HD       LYS  30  14.032  -0.831  -2.037
  142   1HE   LYS  30          2HE       LYS  30  13.826  -2.622  -0.555
  143   2HE   LYS  30          1HE       LYS  30  12.224  -1.892  -0.453
  144   1HZ   LYS  30          2HZ       LYS  30  11.896  -3.539  -2.517
  145   2HZ   LYS  30          1HZ       LYS  30  13.038  -4.419  -1.619
  146   3HZ   LYS  30          3HZ       LYS  30  11.563  -3.975  -0.909
  147    H    THR  31           H        THR  31   8.564   2.788  -1.884
  148    HA   THR  31           HA       THR  31  10.040   4.725  -0.207
  149    HB   THR  31           HB       THR  31   8.539   5.888  -2.482
  150    HG1  THR  31           HG1      THR  31  11.086   4.673  -2.709
  151   1HG2  THR  31          2HG2      THR  31  11.049   6.523  -0.929
  152   2HG2  THR  31          1HG2      THR  31  10.579   7.425  -2.369
  153   3HG2  THR  31          3HG2      THR  31   9.530   7.421  -0.951
  154    H    PHE  32           H        PHE  32   8.437   6.613   0.336
  155    HA   PHE  32           HA       PHE  32   5.599   5.901   0.297
  156   1HB   PHE  32          2HB       PHE  32   7.317   5.333   2.634
  157   2HB   PHE  32          1HB       PHE  32   5.853   6.243   3.006
  158    HD1  PHE  32           HD1      PHE  32   7.190   3.077   1.661
  159    HD2  PHE  32           HD2      PHE  32   3.645   5.281   2.676
  160    HE1  PHE  32           HE1      PHE  32   5.844   1.002   1.469
  161    HE2  PHE  32           HE2      PHE  32   2.300   3.205   2.486
  162    HZ   PHE  32           HZ       PHE  32   3.400   1.066   1.883
  163    H    GLU  33           H        GLU  33   4.319   7.749   0.751
  164    HA   GLU  33           HA       GLU  33   5.710  10.166   1.755
  165   1HB   GLU  33          2HB       GLU  33   5.562   9.783  -0.940
  166   2HB   GLU  33          1HB       GLU  33   4.053  10.647  -0.646
  167   1HG   GLU  33          2HG       GLU  33   5.958  11.995   0.906
  168   2HG   GLU  33          1HG       GLU  33   6.775  11.661  -0.621
  169    H    CYS  34           H        CYS  34   4.371  10.513   3.488
  170    HA   CYS  34           HA       CYS  34   1.541  10.002   3.508
  171   1HB   CYS  34          2HB       CYS  34   3.072  10.253   5.523
  172   2HB   CYS  34          1HB       CYS  34   3.051  11.989   5.229
  173    H    LEU  35           H        LEU  35   0.283  11.057   2.011
  174    HA   LEU  35           HA       LEU  35   0.908  13.714   1.038
  175   1HB   LEU  35          2HB       LEU  35  -1.556  11.980   0.727
  176   2HB   LEU  35          1HB       LEU  35  -1.311  13.511  -0.113
  177    HG   LEU  35           HG       LEU  35   1.063  12.075  -0.527
  178   1HD1  LEU  35           HD1      LEU  35  -0.827  10.201   0.192
  179   2HD1  LEU  35           HD1      LEU  35  -0.976  10.226  -1.565
  180   3HD1  LEU  35           HD1      LEU  35   0.582   9.875  -0.817
  181   1HD2  LEU  35           HD2      LEU  35  -0.303  13.613  -2.053
  182   2HD2  LEU  35           HD2      LEU  35   0.427  12.208  -2.830
  183   3HD2  LEU  35           HD2      LEU  35  -1.290  12.200  -2.428
  184    H    PHE  36           H        PHE  36  -0.174  12.950   4.026
  185    HA   PHE  36           HA       PHE  36  -2.508  14.550   4.367
  186   1HB   PHE  36          2HB       PHE  36  -1.625  12.989   6.089
  187   2HB   PHE  36          1HB       PHE  36  -0.270  14.083   6.358
  188    HD1  PHE  36           HD2      PHE  36  -0.715  16.431   7.180
  189    HD2  PHE  36           HD1      PHE  36  -3.760  13.415   7.038
  190    HE1  PHE  36           HE2      PHE  36  -2.096  17.753   8.758
  191    HE2  PHE  36           HE1      PHE  36  -5.143  14.728   8.616
  192    HZ   PHE  36           HZ       PHE  36  -4.316  16.904   9.474
  193    HA   PRO  37           HA       PRO  37  -0.779  18.567   3.812
  194   1HB   PRO  37          2HB       PRO  37  -2.868  19.995   4.905
  195   2HB   PRO  37          1HB       PRO  37  -2.904  19.292   3.278
  196   1HG   PRO  37          2HG       PRO  37  -4.259  18.345   5.765
  197   2HG   PRO  37          1HG       PRO  37  -4.743  18.135   4.074
  198   1HD   PRO  37          2HD       PRO  37  -3.516  16.168   5.673
  199   2HD   PRO  37          1HD       PRO  37  -3.633  16.130   3.901
  200    H    GLY  38           H        GLY  38   0.871  19.181   5.114
  201   1HA   GLY  38          2HA       GLY  38   1.502  20.532   7.096
  202   2HA   GLY  38          1HA       GLY  38   0.285  19.633   8.010
  203    H    CYS  39           H        CYS  39   1.126  17.137   6.477
  204    HA   CYS  39           HA       CYS  39   2.940  16.095   8.433
  205   1HB   CYS  39          2HB       CYS  39   1.360  14.791   6.904
  206   2HB   CYS  39          1HB       CYS  39   2.568  15.002   5.638
  207    H    THR  40           H        THR  40   5.150  15.214   7.883
  208    HA   THR  40           HA       THR  40   6.596  16.464   5.674
  209    HB   THR  40           HB       THR  40   7.737  17.157   8.343
  210    HG1  THR  40           HG1      THR  40   6.461  19.053   8.357
  211   1HG2  THR  40          1HG2      THR  40   8.802  17.590   6.066
  212   2HG2  THR  40          3HG2      THR  40   7.526  18.780   5.801
  213   3HG2  THR  40          2HG2      THR  40   8.668  18.991   7.129
  214    H    LYS  41           H        LYS  41   6.077  13.763   6.697
  215    HA   LYS  41           HA       LYS  41   8.919  12.934   7.082
  216   1HB   LYS  41          2HB       LYS  41   6.888  12.741   9.041
  217   2HB   LYS  41          1HB       LYS  41   7.128  11.108   8.418
  218   1HG   LYS  41          2HG       LYS  41   9.716  12.118   8.663
  219   2HG   LYS  41          1HG       LYS  41   8.885  12.717  10.100
  220   1HD   LYS  41          2HD       LYS  41   9.018   9.831   9.176
  221   2HD   LYS  41          1HD       LYS  41   9.838  10.520  10.579
  222   1HE   LYS  41          2HE       LYS  41   7.298  11.273  11.125
  223   2HE   LYS  41          1HE       LYS  41   6.980   9.789  10.226
  224   1HZ   LYS  41          2HZ       LYS  41   8.925   8.946  11.789
  225   2HZ   LYS  41          1HZ       LYS  41   8.297  10.159  12.800
  226   3HZ   LYS  41          3HZ       LYS  41   7.294   8.900  12.265
  227    H    THR  42           H        THR  42   9.411  11.717   5.331
  228    HA   THR  42           HA       THR  42   7.256  10.035   4.119
  229    HB   THR  42           HB       THR  42   8.256  10.321   2.054
  230    HG1  THR  42           HG1      THR  42  10.641  11.109   2.225
  231   1HG2  THR  42          3HG2      THR  42   7.662  12.559   2.978
  232   2HG2  THR  42          2HG2      THR  42   9.324  12.735   3.541
  233   3HG2  THR  42          1HG2      THR  42   8.984  12.635   1.813
  234    H    PHE  43           H        PHE  43   7.864   7.830   3.488
  235    HA   PHE  43           HA       PHE  43  10.281   6.808   4.919
  236   1HB   PHE  43          2HB       PHE  43   7.779   5.160   4.826
  237   2HB   PHE  43          1HB       PHE  43   9.090   5.132   6.005
  238    HD1  PHE  43           HD1      PHE  43   6.338   7.327   4.724
  239    HD2  PHE  43           HD2      PHE  43   8.875   6.297   8.034
  240    HE1  PHE  43           HE1      PHE  43   5.067   8.880   6.181
  241    HE2  PHE  43           HE2      PHE  43   7.605   7.851   9.491
  242    HZ   PHE  43           HZ       PHE  43   5.700   9.142   8.565
  243    H    LYS  44           H        LYS  44   9.823   4.089   4.220
  244    HA   LYS  44           HA       LYS  44   9.397   3.871   1.348
  245   1HB   LYS  44          2HB       LYS  44  11.851   3.015   1.063
  246   2HB   LYS  44          1HB       LYS  44  11.552   4.752   1.033
  247   1HG   LYS  44          2HG       LYS  44  12.033   4.788   3.514
  248   2HG   LYS  44          1HG       LYS  44  12.553   3.109   3.372
  249   1HD   LYS  44          2HD       LYS  44  14.151   3.889   1.546
  250   2HD   LYS  44          1HD       LYS  44  13.767   5.539   2.040
  251   1HE   LYS  44          2HE       LYS  44  14.503   5.022   4.341
  252   2HE   LYS  44          1HE       LYS  44  14.900   3.377   3.842
  253   1HZ   LYS  44          1HZ       LYS  44  16.057   5.718   2.465
  254   2HZ   LYS  44          3HZ       LYS  44  16.764   5.094   3.875
  255   3HZ   LYS  44          2HZ       LYS  44  16.622   4.117   2.493
  256    H    ARG  45           H        ARG  45   8.640   1.823   1.053
  257    HA   ARG  45           HA       ARG  45   8.044  -0.384   1.638
  258   1HB   ARG  45          2HB       ARG  45  10.353  -0.620   0.675
  259   2HB   ARG  45          1HB       ARG  45  10.996  -0.520   2.315
  260   1HG   ARG  45          2HG       ARG  45  10.704  -2.751   2.455
  261   2HG   ARG  45          1HG       ARG  45   8.968  -2.436   2.485
  262   1HD   ARG  45          2HD       ARG  45  10.512  -2.643  -0.105
  263   2HD   ARG  45          1HD       ARG  45   9.800  -4.055   0.676
  264    HE   ARG  45           HE       ARG  45   7.830  -1.976   0.415
  265   1HH1  ARG  45           HH2      ARG  45   9.668  -2.776  -2.146
  266   2HH1  ARG  45           HH2      ARG  45   8.466  -3.661  -3.023
  267   1HH2  ARG  45           HH1      ARG  45   6.242  -3.790  -0.365
  268   2HH2  ARG  45           HH1      ARG  45   6.524  -4.234  -2.014
  269    H    ARG  46           H        ARG  46   6.788   0.280   3.529
  270    HA   ARG  46           HA       ARG  46   7.592  -1.046   5.940
  271   1HB   ARG  46          2HB       ARG  46   8.613   1.605   5.626
  272   2HB   ARG  46          1HB       ARG  46   7.377   1.645   6.884
  273   1HG   ARG  46          2HG       ARG  46   8.827   0.707   8.323
  274   2HG   ARG  46          1HG       ARG  46   8.918  -0.716   7.284
  275   1HD   ARG  46          2HD       ARG  46  10.487   1.105   5.929
  276   2HD   ARG  46          1HD       ARG  46  10.840   1.481   7.616
  277    HE   ARG  46           HE       ARG  46  11.124  -1.279   6.491
  278   1HH1  ARG  46           HH2      ARG  46  11.283  -0.290   9.492
  279   2HH1  ARG  46           HH2      ARG  46  12.996  -0.384   9.721
  280   1HH2  ARG  46           HH1      ARG  46  13.698  -0.692   6.339
  281   2HH2  ARG  46           HH1      ARG  46  14.364  -0.612   7.936
  282    H    TYR  47           H        TYR  47   5.764  -1.406   7.166
  283    HA   TYR  47           HA       TYR  47   3.291   0.017   6.306
  284   1HB   TYR  47          2HB       TYR  47   2.648  -2.114   8.069
  285   2HB   TYR  47          1HB       TYR  47   2.355  -2.040   6.333
  286    HD1  TYR  47           HD2      TYR  47   4.436  -2.575   4.814
  287    HD2  TYR  47           HD1      TYR  47   4.054  -3.759   8.921
  288    HE1  TYR  47           HE2      TYR  47   6.127  -4.357   4.453
  289    HE2  TYR  47           HE1      TYR  47   5.742  -5.544   8.565
  290    HH   TYR  47           HH       TYR  47   7.054  -6.565   7.098
  291    H    ASN  48           H        ASN  48   5.422   0.895   8.296
  292    HA   ASN  48           HA       ASN  48   3.782   0.908  10.757
  293   1HB   ASN  48          2HB       ASN  48   6.676   1.622  10.224
  294   2HB   ASN  48          1HB       ASN  48   5.885   1.936  11.768
  295   1HD2  ASN  48           HD2      ASN  48   7.494  -1.580  11.481
  296   2HD2  ASN  48           HD2      ASN  48   8.065  -0.102  10.874
  297    H    ILE  49           H        ILE  49   4.869   2.879   8.148
  298    HA   ILE  49           HA       ILE  49   4.420   5.431   9.444
  299    HB   ILE  49           HB       ILE  49   5.322   6.288   7.568
  300   1HG1  ILE  49          2HG1      ILE  49   3.028   6.360   6.589
  301   2HG1  ILE  49          1HG1      ILE  49   4.285   6.146   5.374
  302   1HG2  ILE  49          2HG2      ILE  49   6.495   4.091   7.574
  303   2HG2  ILE  49          1HG2      ILE  49   5.294   3.484   6.435
  304   3HG2  ILE  49          3HG2      ILE  49   6.365   4.803   5.967
  305   1HD1  ILE  49           HD1      ILE  49   3.526   3.558   6.281
  306   2HD1  ILE  49           HD1      ILE  49   2.047   4.452   5.927
  307   3HD1  ILE  49           HD1      ILE  49   3.282   4.263   4.683
  308    H    ARG  50           H        ARG  50   2.416   3.073   7.835
  309    HA   ARG  50           HA       ARG  50   0.150   4.679   7.240
  310   1HB   ARG  50          2HB       ARG  50   0.748   1.869   7.434
  311   2HB   ARG  50          1HB       ARG  50  -0.780   2.190   8.257
  312   1HG   ARG  50          2HG       ARG  50  -1.484   3.512   6.210
  313   2HG   ARG  50          1HG       ARG  50  -0.051   2.876   5.401
  314   1HD   ARG  50          2HD       ARG  50  -0.824   0.592   5.722
  315   2HD   ARG  50          1HD       ARG  50  -2.199   1.155   6.673
  316    HE   ARG  50           HE       ARG  50  -2.033   2.219   3.929
  317   1HH1  ARG  50           HH2      ARG  50  -4.489   1.885   5.759
  318   2HH1  ARG  50           HH2      ARG  50  -5.319   0.601   4.945
  319   1HH2  ARG  50           HH1      ARG  50  -2.578  -0.308   3.023
  320   2HH2  ARG  50           HH1      ARG  50  -4.238  -0.640   3.395
  321    H    SER  51           H        SER  51   1.003   2.915  10.226
  322    HA   SER  51           HA       SER  51  -1.238   3.839  11.749
  323   1HB   SER  51          2HB       SER  51   0.575   1.997  12.286
  324   2HB   SER  51          1HB       SER  51   1.439   3.344  13.022
  325    HG   SER  51           HG       SER  51  -0.790   3.727  14.013
  326    H    HIS  52           H        HIS  52   1.951   5.178  11.061
  327    HA   HIS  52           HA       HIS  52   2.008   7.297  12.920
  328   1HB   HIS  52          2HB       HIS  52   3.989   7.393  11.771
  329   2HB   HIS  52          1HB       HIS  52   3.278   6.682  10.328
  330    HD1  HIS  52           HD1      HIS  52   4.786   9.724  11.399
  331    HD2  HIS  52           HD2      HIS  52   1.510   8.846   8.982
  332    HE1  HIS  52           HE1      HIS  52   4.280  11.826  10.077
  333    H    ILE  53           H        ILE  53   0.351   7.066   9.809
  334    HA   ILE  53           HA       ILE  53  -0.621   9.784   9.859
  335    HB   ILE  53           HB       ILE  53  -1.965   7.435   8.486
  336   1HG1  ILE  53          2HG1      ILE  53   0.410   9.051   7.501
  337   2HG1  ILE  53          1HG1      ILE  53   0.457   7.355   7.982
  338   1HG2  ILE  53          1HG2      ILE  53  -3.025   9.731   8.519
  339   2HG2  ILE  53          3HG2      ILE  53  -1.635  10.308   7.602
  340   3HG2  ILE  53          2HG2      ILE  53  -2.703   9.087   6.910
  341   1HD1  ILE  53           HD1      ILE  53  -1.654   7.491   6.156
  342   2HD1  ILE  53           HD1      ILE  53  -0.411   8.533   5.463
  343   3HD1  ILE  53           HD1      ILE  53  -0.041   6.850   5.840
  344    H    GLN  54           H        GLN  54  -2.223   6.670  10.487
  345    HA   GLN  54           HA       GLN  54  -4.688   7.530  11.380
  346   1HB   GLN  54          2HB       GLN  54  -3.182   5.145  11.572
  347   2HB   GLN  54          1HB       GLN  54  -3.736   5.509  13.206
  348   1HG   GLN  54          2HG       GLN  54  -5.811   4.830  12.676
  349   2HG   GLN  54          1HG       GLN  54  -5.886   6.027  11.382
  350   1HE2  GLN  54          2HE2      GLN  54  -4.245   3.460   9.138
  351   2HE2  GLN  54          1HE2      GLN  54  -3.699   4.928   9.787
  352    H    THR  55           H        THR  55  -1.629   7.791  13.154
  353    HA   THR  55           HA       THR  55  -3.100   8.603  15.559
  354    HB   THR  55           HB       THR  55  -0.926   7.386  15.731
  355    HG1  THR  55           HG1      THR  55  -1.638   8.760  17.411
  356   1HG2  THR  55          1HG2      THR  55   0.041   9.884  14.358
  357   2HG2  THR  55          3HG2      THR  55   1.119   8.949  15.392
  358   3HG2  THR  55          2HG2      THR  55   0.396   8.201  13.969
  359    H    HIS  56           H        HIS  56  -1.364  10.191  12.935
  360    HA   HIS  56           HA       HIS  56  -2.065  12.764  14.200
  361   1HB   HIS  56          2HB       HIS  56  -0.147  13.601  13.401
  362   2HB   HIS  56          1HB       HIS  56   0.319  11.929  13.215
  363    HD1  HIS  56           HD1      HIS  56  -1.221  14.743  11.130
  364    HD2  HIS  56           HD2      HIS  56   1.012  11.265  10.677
  365    HE1  HIS  56           HE1      HIS  56  -0.290  14.780   8.767
  366    H    LEU  57           H        LEU  57  -3.737  10.806  12.586
  367    HA   LEU  57           HA       LEU  57  -4.912  12.878  10.817
  368   1HB   LEU  57          2HB       LEU  57  -3.988  10.184  10.045
  369   2HB   LEU  57          1HB       LEU  57  -5.623  10.572   9.526
  370    HG   LEU  57           HG       LEU  57  -4.588  12.833   8.753
  371   1HD1  LEU  57           HD1      LEU  57  -2.216  11.168   9.431
  372   2HD1  LEU  57           HD1      LEU  57  -2.135  12.084   7.926
  373   3HD1  LEU  57           HD1      LEU  57  -2.405  12.921   9.454
  374   1HD2  LEU  57           HD2      LEU  57  -4.729  10.187   7.517
  375   2HD2  LEU  57           HD2      LEU  57  -5.181  11.756   6.853
  376   3HD2  LEU  57           HD2      LEU  57  -3.507  11.210   6.763
  377    H    GLU  58           H        GLU  58  -5.299  10.447  13.245
  378    HA   GLU  58           HA       GLU  58  -7.947   9.604  12.927
  379   1HB   GLU  58          2HB       GLU  58  -6.185   9.188  14.852
  380   2HB   GLU  58          1HB       GLU  58  -7.033  10.522  15.634
  381   1HG   GLU  58          2HG       GLU  58  -8.995   9.327  15.861
  382   2HG   GLU  58          1HG       GLU  58  -8.682   8.339  14.434
  383    H    ASP  59           H        ASP  59  -6.989  12.451  14.893
  384    HA   ASP  59           HA       ASP  59  -8.768  14.305  13.747
  385   1HB   ASP  59          2HB       ASP  59 -10.620  14.247  15.474
  386   2HB   ASP  59          1HB       ASP  59 -10.619  12.881  14.357
  387    H    ARG  60           H        ARG  60  -6.250  14.519  14.838
  388    HA   ARG  60           HA       ARG  60  -6.490  16.734  16.603
  389   1HB   ARG  60          2HB       ARG  60  -5.367  15.476  18.613
  390   2HB   ARG  60          1HB       ARG  60  -7.119  15.395  18.417
  391   1HG   ARG  60          2HG       ARG  60  -6.948  13.236  17.314
  392   2HG   ARG  60          1HG       ARG  60  -5.187  13.326  17.332
  393   1HD   ARG  60          2HD       ARG  60  -6.873  13.385  19.847
  394   2HD   ARG  60          1HD       ARG  60  -6.196  11.903  19.172
  395    HE   ARG  60           HE       ARG  60  -4.543  14.186  20.169
  396   1HH1  ARG  60           HH1      ARG  60  -2.672  12.827  18.675
  397   2HH1  ARG  60           HH1      ARG  60  -2.199  11.440  19.596
  398   1HH2  ARG  60           HH2      ARG  60  -4.971  11.549  21.678
  399   2HH2  ARG  60           HH2      ARG  60  -3.500  10.716  21.298
   
  No H/Q in entry =         399
  Start of MODEL   27
    1   1H    THR  14          3H        THR  14 -12.395   0.603  -2.023
    2   2H    THR  14          2H        THR  14 -14.025   0.124  -1.962
    3   3H    THR  14          1H        THR  14 -13.551   1.404  -2.973
    4    HA   THR  14           HA       THR  14 -13.374   2.898  -1.284
    5    HB   THR  14           HB       THR  14 -15.374   0.832  -0.316
    6    HG1  THR  14           HG1      THR  14 -16.029   3.274  -1.486
    7   1HG2  THR  14          3HG2      THR  14 -14.500   2.581   1.385
    8   2HG2  THR  14          2HG2      THR  14 -15.364   3.760   0.397
    9   3HG2  THR  14          1HG2      THR  14 -16.245   2.442   1.170
   10    H    LEU  15           H        LEU  15 -14.158   0.369   1.023
   11    HA   LEU  15           HA       LEU  15 -13.091  -0.106   3.074
   12   1HB   LEU  15          2HB       LEU  15 -11.810  -1.359   1.144
   13   2HB   LEU  15          1HB       LEU  15 -10.524  -0.211   1.517
   14    HG   LEU  15           HG       LEU  15 -10.234  -2.268   2.828
   15   1HD1  LEU  15           HD1      LEU  15  -9.838   0.133   3.767
   16   2HD1  LEU  15           HD1      LEU  15 -11.261  -0.193   4.756
   17   3HD1  LEU  15           HD1      LEU  15  -9.834  -1.222   4.896
   18   1HD2  LEU  15           HD2      LEU  15 -13.012  -2.259   2.917
   19   2HD2  LEU  15           HD2      LEU  15 -11.959  -3.334   3.838
   20   3HD2  LEU  15           HD2      LEU  15 -12.552  -1.842   4.569
   21    HA   PRO  16           HA       PRO  16 -11.416   4.125   3.622
   22   1HB   PRO  16          2HB       PRO  16 -13.016   4.697   5.783
   23   2HB   PRO  16          1HB       PRO  16 -13.502   4.976   4.102
   24   1HG   PRO  16          2HG       PRO  16 -14.384   2.832   5.980
   25   2HG   PRO  16          1HG       PRO  16 -15.241   3.537   4.600
   26   1HD   PRO  16          2HD       PRO  16 -13.906   1.044   4.615
   27   2HD   PRO  16          1HD       PRO  16 -14.464   1.918   3.173
   28    H    ARG  17           H        ARG  17  -9.823   4.691   5.146
   29    HA   ARG  17           HA       ARG  17  -9.530   2.935   7.527
   30   1HB   ARG  17          2HB       ARG  17  -7.658   3.299   5.265
   31   2HB   ARG  17          1HB       ARG  17  -6.928   3.410   6.867
   32   1HG   ARG  17          2HG       ARG  17  -8.833   1.168   6.288
   33   2HG   ARG  17          1HG       ARG  17  -7.176   1.060   5.694
   34   1HD   ARG  17          2HD       ARG  17  -6.633   0.290   7.747
   35   2HD   ARG  17          1HD       ARG  17  -6.870   1.944   8.313
   36    HE   ARG  17           HE       ARG  17  -9.100   1.318   9.058
   37   1HH1  ARG  17           HH2      ARG  17  -9.769  -0.802   7.094
   38   2HH1  ARG  17           HH2      ARG  17  -9.606  -2.250   8.028
   39   1HH2  ARG  17           HH1      ARG  17  -7.774  -0.734  10.551
   40   2HH2  ARG  17           HH1      ARG  17  -8.476  -2.213   9.986
   41    H    GLY  18           H        GLY  18 -10.666   5.428   7.707
   42   1HA   GLY  18          2HA       GLY  18 -10.434   7.323   9.092
   43   2HA   GLY  18          1HA       GLY  18  -8.788   6.802   9.455
   44    H    SER  19           H        SER  19  -9.361   6.877   6.123
   45    HA   SER  19           HA       SER  19  -8.895   8.483   4.448
   46   1HB   SER  19          2HB       SER  19  -8.157  10.487   6.572
   47   2HB   SER  19          1HB       SER  19  -8.788  10.777   4.954
   48    HG   SER  19           HG       SER  19 -10.708   9.580   5.792
   49    H    ILE  20           H        ILE  20  -6.993   6.862   6.350
   50    HA   ILE  20           HA       ILE  20  -4.451   8.247   6.103
   51    HB   ILE  20           HB       ILE  20  -5.369   5.531   6.995
   52   1HG1  ILE  20          2HG1      ILE  20  -4.131   6.202   9.020
   53   2HG1  ILE  20          1HG1      ILE  20  -3.589   7.666   8.207
   54   1HG2  ILE  20          3HG2      ILE  20  -2.613   6.258   6.046
   55   2HG2  ILE  20          2HG2      ILE  20  -2.799   5.158   7.413
   56   3HG2  ILE  20          1HG2      ILE  20  -3.498   4.745   5.847
   57   1HD1  ILE  20           HD1      ILE  20  -6.475   6.923   8.751
   58   2HD1  ILE  20           HD1      ILE  20  -5.539   8.122   9.644
   59   3HD1  ILE  20           HD1      ILE  20  -5.927   8.392   7.944
   60    H    ASP  21           H        ASP  21  -6.371   6.181   4.083
   61    HA   ASP  21           HA       ASP  21  -4.117   5.467   2.339
   62   1HB   ASP  21          2HB       ASP  21  -6.935   4.681   2.634
   63   2HB   ASP  21          1HB       ASP  21  -6.411   4.818   0.955
   64    H    LYS  22           H        LYS  22  -6.296   8.068   2.698
   65    HA   LYS  22           HA       LYS  22  -6.347   8.828  -0.128
   66   1HB   LYS  22          2HB       LYS  22  -8.102   9.400   1.704
   67   2HB   LYS  22          1HB       LYS  22  -6.976  10.676   2.171
   68   1HG   LYS  22          2HG       LYS  22  -6.978  11.297  -0.354
   69   2HG   LYS  22          1HG       LYS  22  -8.453  10.333  -0.433
   70   1HD   LYS  22          2HD       LYS  22  -8.009  12.631   1.495
   71   2HD   LYS  22          1HD       LYS  22  -8.902  12.757  -0.021
   72   1HE   LYS  22          2HE       LYS  22  -9.659  10.620   1.945
   73   2HE   LYS  22          1HE       LYS  22 -10.195  12.276   2.225
   74   1HZ   LYS  22          1HZ       LYS  22 -10.811  12.045  -0.324
   75   2HZ   LYS  22          3HZ       LYS  22 -10.944  10.411   0.112
   76   3HZ   LYS  22          2HZ       LYS  22 -11.880  11.581   0.912
   77    H    TYR  23           H        TYR  23  -3.932   8.850   2.130
   78    HA   TYR  23           HA       TYR  23  -2.574  11.090   0.722
   79   1HB   TYR  23          2HB       TYR  23  -2.624  10.665   3.722
   80   2HB   TYR  23          1HB       TYR  23  -1.603  11.837   2.888
   81    HD1  TYR  23           HD2      TYR  23  -3.114  13.180   0.969
   82    HD2  TYR  23           HD1      TYR  23  -4.492  11.617   4.726
   83    HE1  TYR  23           HE2      TYR  23  -4.988  14.805   0.960
   84    HE2  TYR  23           HE1      TYR  23  -6.365  13.241   4.714
   85    HH   TYR  23           HH       TYR  23  -6.466  15.915   2.778
   86    H    VAL  24           H        VAL  24  -2.254   8.248   2.822
   87    HA   VAL  24           HA       VAL  24   0.517   7.916   2.812
   88    HB   VAL  24           HB       VAL  24  -1.146   6.420   3.965
   89   1HG1  VAL  24          2HG1      VAL  24  -2.407   6.173   1.652
   90   2HG1  VAL  24          1HG1      VAL  24  -1.301   4.815   1.440
   91   3HG1  VAL  24          3HG1      VAL  24  -2.406   4.846   2.814
   92   1HG2  VAL  24          3HG2      VAL  24   1.363   5.773   2.772
   93   2HG2  VAL  24          2HG2      VAL  24   0.639   5.070   4.219
   94   3HG2  VAL  24          1HG2      VAL  24   0.331   4.350   2.638
   95    H    LYS  25           H        LYS  25   1.669   8.379   0.955
   96    HA   LYS  25           HA       LYS  25   0.768   7.224  -1.619
   97   1HB   LYS  25          2HB       LYS  25   1.556   9.564  -1.583
   98   2HB   LYS  25          1HB       LYS  25   3.125   9.025  -0.981
   99   1HG   LYS  25          2HG       LYS  25   3.735   8.863  -3.154
  100   2HG   LYS  25          1HG       LYS  25   2.722   7.419  -3.205
  101   1HD   LYS  25          2HD       LYS  25   1.281   8.434  -4.602
  102   2HD   LYS  25          1HD       LYS  25   1.056   9.753  -3.452
  103   1HE   LYS  25          2HE       LYS  25   2.531  11.119  -4.533
  104   2HE   LYS  25          1HE       LYS  25   3.619   9.791  -4.935
  105   1HZ   LYS  25          3HZ       LYS  25   1.207   9.420  -6.311
  106   2HZ   LYS  25          2HZ       LYS  25   1.717  11.019  -6.570
  107   3HZ   LYS  25          1HZ       LYS  25   2.748   9.725  -6.952
  108    H    GLU  26           H        GLU  26   1.198   4.986  -1.187
  109    HA   GLU  26           HA       GLU  26   3.867   4.124  -0.379
  110   1HB   GLU  26          2HB       GLU  26   2.934   1.835  -1.025
  111   2HB   GLU  26          1HB       GLU  26   2.056   2.688   0.245
  112   1HG   GLU  26          2HG       GLU  26   1.091   3.416  -2.407
  113   2HG   GLU  26          1HG       GLU  26   0.959   1.680  -2.114
  114    H    MET  27           H        MET  27   5.577   3.889  -1.746
  115    HA   MET  27           HA       MET  27   5.005   3.897  -4.671
  116   1HB   MET  27          2HB       MET  27   6.824   5.371  -3.105
  117   2HB   MET  27          1HB       MET  27   7.803   4.217  -4.011
  118   1HG   MET  27          2HG       MET  27   7.522   6.248  -5.337
  119   2HG   MET  27          1HG       MET  27   6.638   4.926  -6.100
  120   1HE   MET  27          2HE       MET  27   6.978   8.002  -4.623
  121   2HE   MET  27          1HE       MET  27   5.690   8.837  -5.487
  122   3HE   MET  27          3HE       MET  27   5.514   8.474  -3.765
  123    HA   PRO  28           HA       PRO  28   6.290  -0.329  -4.728
  124   1HB   PRO  28          2HB       PRO  28   6.526  -0.550  -7.464
  125   2HB   PRO  28          1HB       PRO  28   4.978  -0.599  -6.600
  126   1HG   PRO  28          2HG       PRO  28   6.172   1.628  -8.198
  127   2HG   PRO  28          1HG       PRO  28   4.466   1.232  -7.923
  128   1HD   PRO  28          2HD       PRO  28   5.870   3.278  -6.615
  129   2HD   PRO  28          1HD       PRO  28   4.347   2.560  -6.047
  130    H    ASP  29           H        ASP  29   8.136   2.359  -5.643
  131    HA   ASP  29           HA       ASP  29  10.506   0.766  -6.387
  132   1HB   ASP  29          2HB       ASP  29  11.589   3.062  -6.545
  133   2HB   ASP  29          1HB       ASP  29  10.252   2.791  -7.661
  134    H    LYS  30           H        LYS  30   9.086   0.937  -3.658
  135    HA   LYS  30           HA       LYS  30   9.815   0.624  -1.468
  136   1HB   LYS  30          2HB       LYS  30  12.561   1.290  -2.540
  137   2HB   LYS  30          1HB       LYS  30  12.201   0.550  -0.985
  138   1HG   LYS  30          2HG       LYS  30  11.583  -1.482  -1.947
  139   2HG   LYS  30          1HG       LYS  30  11.196  -0.742  -3.500
  140   1HD   LYS  30          2HD       LYS  30  13.480  -0.515  -4.090
  141   2HD   LYS  30          1HD       LYS  30  14.019  -0.782  -2.433
  142   1HE   LYS  30          2HE       LYS  30  12.416  -2.976  -3.608
  143   2HE   LYS  30          1HE       LYS  30  14.002  -2.727  -4.336
  144   1HZ   LYS  30          1HZ       LYS  30  14.272  -2.528  -1.561
  145   2HZ   LYS  30          3HZ       LYS  30  13.389  -3.939  -1.888
  146   3HZ   LYS  30          2HZ       LYS  30  14.916  -3.711  -2.598
  147    H    THR  31           H        THR  31   8.523   2.842  -1.770
  148    HA   THR  31           HA       THR  31  10.063   4.807  -0.200
  149    HB   THR  31           HB       THR  31   8.554   5.823  -2.571
  150    HG1  THR  31           HG1      THR  31  10.149   4.273  -3.254
  151   1HG2  THR  31          1HG2      THR  31  10.444   6.833  -0.540
  152   2HG2  THR  31          3HG2      THR  31  10.726   7.417  -2.180
  153   3HG2  THR  31          2HG2      THR  31   9.163   7.681  -1.406
  154    H    PHE  32           H        PHE  32   8.437   6.769   0.221
  155    HA   PHE  32           HA       PHE  32   5.616   6.110   0.281
  156   1HB   PHE  32          2HB       PHE  32   7.334   5.342   2.534
  157   2HB   PHE  32          1HB       PHE  32   5.971   6.356   3.010
  158    HD1  PHE  32           HD2      PHE  32   3.631   5.677   2.375
  159    HD2  PHE  32           HD1      PHE  32   7.010   3.082   1.838
  160    HE1  PHE  32           HE2      PHE  32   2.106   3.734   2.153
  161    HE2  PHE  32           HE1      PHE  32   5.486   1.139   1.618
  162    HZ   PHE  32           HZ       PHE  32   3.032   1.466   1.775
  163    H    GLU  33           H        GLU  33   4.407   7.981   0.785
  164    HA   GLU  33           HA       GLU  33   5.866  10.300   1.910
  165   1HB   GLU  33          2HB       GLU  33   5.375   9.969  -0.882
  166   2HB   GLU  33          1HB       GLU  33   4.330  11.265  -0.298
  167   1HG   GLU  33          2HG       GLU  33   6.393  12.214   0.874
  168   2HG   GLU  33          1HG       GLU  33   7.340  11.067  -0.075
  169    H    CYS  34           H        CYS  34   4.494  10.405   3.686
  170    HA   CYS  34           HA       CYS  34   1.668  10.056   3.661
  171   1HB   CYS  34          2HB       CYS  34   3.142  10.164   5.704
  172   2HB   CYS  34          1HB       CYS  34   3.276  11.902   5.456
  173    H    LEU  35           H        LEU  35   0.571  11.182   2.055
  174    HA   LEU  35           HA       LEU  35   1.251  13.903   1.332
  175   1HB   LEU  35          2HB       LEU  35  -1.333  12.467   0.702
  176   2HB   LEU  35          1HB       LEU  35  -0.581  13.779  -0.202
  177    HG   LEU  35           HG       LEU  35   0.923  11.211   0.225
  178   1HD1  LEU  35           HD1      LEU  35  -1.572  11.165  -0.911
  179   2HD1  LEU  35           HD1      LEU  35  -0.554  11.477  -2.317
  180   3HD1  LEU  35           HD1      LEU  35  -0.272  10.047  -1.324
  181   1HD2  LEU  35           HD2      LEU  35   1.188  13.680  -1.299
  182   2HD2  LEU  35           HD2      LEU  35   2.398  12.441  -0.964
  183   3HD2  LEU  35           HD2      LEU  35   1.308  12.261  -2.339
  184    H    PHE  36           H        PHE  36  -0.109  12.907   4.143
  185    HA   PHE  36           HA       PHE  36  -2.476  14.428   4.433
  186   1HB   PHE  36          2HB       PHE  36  -1.689  12.906   6.186
  187   2HB   PHE  36          1HB       PHE  36  -0.281  13.931   6.469
  188    HD1  PHE  36           HD2      PHE  36  -0.630  16.306   7.281
  189    HD2  PHE  36           HD1      PHE  36  -3.791  13.404   7.178
  190    HE1  PHE  36           HE2      PHE  36  -1.945  17.681   8.868
  191    HE2  PHE  36           HE1      PHE  36  -5.108  14.781   8.762
  192    HZ   PHE  36           HZ       PHE  36  -4.187  16.922   9.607
  193    HA   PRO  37           HA       PRO  37  -0.934  18.531   4.005
  194   1HB   PRO  37          2HB       PRO  37  -3.109  19.846   5.066
  195   2HB   PRO  37          1HB       PRO  37  -3.078  19.157   3.434
  196   1HG   PRO  37          2HG       PRO  37  -4.438  18.124   5.884
  197   2HG   PRO  37          1HG       PRO  37  -4.874  17.903   4.182
  198   1HD   PRO  37          2HD       PRO  37  -3.585  15.989   5.798
  199   2HD   PRO  37          1HD       PRO  37  -3.672  15.953   4.024
  200    H    GLY  38           H        GLY  38   0.734  18.926   5.392
  201   1HA   GLY  38          2HA       GLY  38   1.213  20.437   7.367
  202   2HA   GLY  38          1HA       GLY  38   0.069  19.430   8.263
  203    H    CYS  39           H        CYS  39   1.189  17.108   6.550
  204    HA   CYS  39           HA       CYS  39   3.081  16.164   8.530
  205   1HB   CYS  39          2HB       CYS  39   1.507  14.794   6.984
  206   2HB   CYS  39          1HB       CYS  39   2.769  14.993   5.769
  207    H    THR  40           H        THR  40   5.303  15.341   7.798
  208    HA   THR  40           HA       THR  40   6.567  16.739   5.569
  209    HB   THR  40           HB       THR  40   6.559  18.545   7.234
  210    HG1  THR  40           HG1      THR  40   8.688  18.960   7.083
  211   1HG2  THR  40          1HG2      THR  40   6.416  16.914   9.192
  212   2HG2  THR  40          3HG2      THR  40   8.160  16.714   9.028
  213   3HG2  THR  40          2HG2      THR  40   7.488  18.296   9.419
  214    H    LYS  41           H        LYS  41   6.183  13.988   6.719
  215    HA   LYS  41           HA       LYS  41   9.081  13.255   6.835
  216   1HB   LYS  41          2HB       LYS  41   7.022  11.603   8.260
  217   2HB   LYS  41          1HB       LYS  41   8.742  11.784   8.605
  218   1HG   LYS  41          2HG       LYS  41   8.404  14.009   9.484
  219   2HG   LYS  41          1HG       LYS  41   6.720  14.012   8.960
  220   1HD   LYS  41          2HD       LYS  41   7.053  13.515  11.419
  221   2HD   LYS  41          1HD       LYS  41   6.144  12.287  10.538
  222   1HE   LYS  41          2HE       LYS  41   7.914  10.767  10.559
  223   2HE   LYS  41          1HE       LYS  41   9.127  12.031  10.767
  224   1HZ   LYS  41          3HZ       LYS  41   7.236  11.938  12.916
  225   2HZ   LYS  41          2HZ       LYS  41   8.089  10.479  12.743
  226   3HZ   LYS  41          1HZ       LYS  41   8.931  11.938  12.967
  227    H    THR  42           H        THR  42   9.627  11.299   5.772
  228    HA   THR  42           HA       THR  42   7.436   9.961   4.248
  229    HB   THR  42           HB       THR  42   8.493  10.206   2.201
  230    HG1  THR  42           HG1      THR  42  10.463   9.327   2.795
  231   1HG2  THR  42          3HG2      THR  42   7.926  12.463   3.228
  232   2HG2  THR  42          2HG2      THR  42   9.641  12.623   3.608
  233   3HG2  THR  42          1HG2      THR  42   9.118  12.500   1.929
  234    H    PHE  43           H        PHE  43   8.131   7.763   3.471
  235    HA   PHE  43           HA       PHE  43  10.493   6.657   4.888
  236   1HB   PHE  43          2HB       PHE  43   7.973   5.075   5.113
  237   2HB   PHE  43          1HB       PHE  43   9.339   5.174   6.224
  238    HD1  PHE  43           HD1      PHE  43   6.549   7.270   4.846
  239    HD2  PHE  43           HD2      PHE  43   9.151   6.466   8.168
  240    HE1  PHE  43           HE1      PHE  43   5.325   8.943   6.208
  241    HE2  PHE  43           HE2      PHE  43   7.926   8.139   9.531
  242    HZ   PHE  43           HZ       PHE  43   6.014   9.376   8.550
  243    H    LYS  44           H        LYS  44  10.088   3.974   4.361
  244    HA   LYS  44           HA       LYS  44   9.786   3.925   1.387
  245   1HB   LYS  44          2HB       LYS  44  11.519   2.086   1.442
  246   2HB   LYS  44          1HB       LYS  44  12.130   3.677   1.899
  247   1HG   LYS  44          2HG       LYS  44  12.371   3.101   4.121
  248   2HG   LYS  44          1HG       LYS  44  11.056   1.926   4.068
  249   1HD   LYS  44          2HD       LYS  44  12.672   0.348   3.958
  250   2HD   LYS  44          1HD       LYS  44  12.903   0.876   2.290
  251   1HE   LYS  44          2HE       LYS  44  14.252   2.567   4.292
  252   2HE   LYS  44          1HE       LYS  44  14.862   0.914   4.209
  253   1HZ   LYS  44          1HZ       LYS  44  14.409   2.451   1.737
  254   2HZ   LYS  44          3HZ       LYS  44  15.828   2.692   2.635
  255   3HZ   LYS  44          2HZ       LYS  44  15.469   1.152   2.014
  256    H    ARG  45           H        ARG  45   9.796   1.300   0.846
  257    HA   ARG  45           HA       ARG  45   7.259   0.337   1.312
  258   1HB   ARG  45          2HB       ARG  45   9.726  -0.773   0.381
  259   2HB   ARG  45          1HB       ARG  45   8.976  -1.937   1.474
  260   1HG   ARG  45          2HG       ARG  45   6.903  -0.851  -0.142
  261   2HG   ARG  45          1HG       ARG  45   8.229  -1.289  -1.219
  262   1HD   ARG  45          2HD       ARG  45   7.424  -3.213   0.934
  263   2HD   ARG  45          1HD       ARG  45   6.432  -3.098  -0.519
  264    HE   ARG  45           HE       ARG  45   9.075  -3.339  -1.427
  265   1HH1  ARG  45           HH2      ARG  45   7.121  -5.061   0.820
  266   2HH1  ARG  45           HH2      ARG  45   7.644  -6.624   0.288
  267   1HH2  ARG  45           HH1      ARG  45   9.647  -5.381  -2.256
  268   2HH2  ARG  45           HH1      ARG  45   9.075  -6.804  -1.452
  269    H    ARG  46           H        ARG  46   6.326   0.436   3.329
  270    HA   ARG  46           HA       ARG  46   7.241  -1.473   5.342
  271   1HB   ARG  46          2HB       ARG  46   8.366   1.044   5.506
  272   2HB   ARG  46          1HB       ARG  46   6.978   1.176   6.586
  273   1HG   ARG  46          2HG       ARG  46   8.234   0.132   8.142
  274   2HG   ARG  46          1HG       ARG  46   8.055  -1.330   7.172
  275   1HD   ARG  46          2HD       ARG  46  10.060  -0.484   5.811
  276   2HD   ARG  46          1HD       ARG  46  10.316   0.673   7.119
  277    HE   ARG  46           HE       ARG  46  10.417  -1.422   8.626
  278   1HH1  ARG  46           HH2      ARG  46  12.251  -0.769   5.930
  279   2HH1  ARG  46           HH2      ARG  46  12.878  -2.371   5.732
  280   1HH2  ARG  46           HH1      ARG  46  10.771  -3.775   8.101
  281   2HH2  ARG  46           HH1      ARG  46  12.043  -4.073   6.963
  282    H    TYR  47           H        TYR  47   5.799  -0.538   7.520
  283    HA   TYR  47           HA       TYR  47   3.083   0.141   6.573
  284   1HB   TYR  47          2HB       TYR  47   2.727  -1.978   8.433
  285   2HB   TYR  47          1HB       TYR  47   2.274  -1.962   6.731
  286    HD1  TYR  47           HD2      TYR  47   3.780  -2.874   5.019
  287    HD2  TYR  47           HD1      TYR  47   4.755  -3.052   9.196
  288    HE1  TYR  47           HE2      TYR  47   5.533  -4.563   4.532
  289    HE2  TYR  47           HE1      TYR  47   6.511  -4.741   8.714
  290    HH   TYR  47           HH       TYR  47   7.334  -5.639   5.392
  291    H    ASN  48           H        ASN  48   5.354   1.130   8.386
  292    HA   ASN  48           HA       ASN  48   3.846   1.194  10.935
  293   1HB   ASN  48          2HB       ASN  48   6.723   1.493  10.196
  294   2HB   ASN  48          1HB       ASN  48   6.148   2.403  11.593
  295   1HD2  ASN  48           HD2      ASN  48   6.902  -1.488  12.047
  296   2HD2  ASN  48           HD2      ASN  48   7.455  -0.562  10.735
  297    H    ILE  49           H        ILE  49   4.769   3.074   8.219
  298    HA   ILE  49           HA       ILE  49   4.420   5.655   9.532
  299    HB   ILE  49           HB       ILE  49   5.387   6.477   7.673
  300   1HG1  ILE  49          2HG1      ILE  49   3.086   6.617   6.687
  301   2HG1  ILE  49          1HG1      ILE  49   4.358   6.415   5.482
  302   1HG2  ILE  49          1HG2      ILE  49   6.476   4.235   7.671
  303   2HG2  ILE  49          3HG2      ILE  49   5.260   3.684   6.519
  304   3HG2  ILE  49          2HG2      ILE  49   6.386   4.963   6.069
  305   1HD1  ILE  49           HD1      ILE  49   3.557   3.816   6.312
  306   2HD1  ILE  49           HD1      ILE  49   2.091   4.737   5.972
  307   3HD1  ILE  49           HD1      ILE  49   3.332   4.567   4.732
  308    H    ARG  50           H        ARG  50   2.411   3.336   7.859
  309    HA   ARG  50           HA       ARG  50   0.169   4.993   7.282
  310   1HB   ARG  50          2HB       ARG  50   0.743   2.208   7.262
  311   2HB   ARG  50          1HB       ARG  50  -0.705   2.420   8.246
  312   1HG   ARG  50          2HG       ARG  50  -1.966   2.953   6.449
  313   2HG   ARG  50          1HG       ARG  50  -0.751   4.078   5.839
  314   1HD   ARG  50          2HD       ARG  50  -0.705   2.462   4.171
  315   2HD   ARG  50          1HD       ARG  50   0.552   1.852   5.248
  316    HE   ARG  50           HE       ARG  50  -1.995   0.569   4.719
  317   1HH1  ARG  50           HH2      ARG  50   0.983   0.222   6.159
  318   2HH1  ARG  50           HH2      ARG  50   0.458  -0.822   7.436
  319   1HH2  ARG  50           HH1      ARG  50  -2.916  -0.388   6.762
  320   2HH2  ARG  50           HH1      ARG  50  -1.750  -1.166   7.779
  321    H    SER  51           H        SER  51   0.954   3.081  10.201
  322    HA   SER  51           HA       SER  51  -1.288   3.971  11.738
  323   1HB   SER  51          2HB       SER  51   0.408   2.074  12.262
  324   2HB   SER  51          1HB       SER  51   1.418   3.354  12.931
  325    HG   SER  51           HG       SER  51  -1.013   2.317  13.817
  326    H    HIS  52           H        HIS  52   1.961   5.275  11.224
  327    HA   HIS  52           HA       HIS  52   1.962   7.342  13.130
  328   1HB   HIS  52          2HB       HIS  52   3.983   7.490  12.075
  329   2HB   HIS  52          1HB       HIS  52   3.350   6.762  10.605
  330    HD1  HIS  52           HD1      HIS  52   4.794   9.814  11.705
  331    HD2  HIS  52           HD2      HIS  52   1.616   8.907   9.177
  332    HE1  HIS  52           HE1      HIS  52   4.324  11.908  10.358
  333    H    ILE  53           H        ILE  53   0.420   7.228   9.953
  334    HA   ILE  53           HA       ILE  53  -0.520   9.953  10.029
  335    HB   ILE  53           HB       ILE  53  -1.764   7.579   8.588
  336   1HG1  ILE  53          2HG1      ILE  53   0.503   9.418   7.775
  337   2HG1  ILE  53          1HG1      ILE  53   0.560   7.663   7.942
  338   1HG2  ILE  53          2HG2      ILE  53  -3.006   9.814   8.778
  339   2HG2  ILE  53          1HG2      ILE  53  -1.735  10.477   7.752
  340   3HG2  ILE  53          3HG2      ILE  53  -2.764   9.177   7.152
  341   1HD1  ILE  53           HD1      ILE  53  -1.155   7.488   6.120
  342   2HD1  ILE  53           HD1      ILE  53  -1.043   9.233   5.900
  343   3HD1  ILE  53           HD1      ILE  53   0.360   8.212   5.579
  344    H    GLN  54           H        GLN  54  -2.327   6.905  10.401
  345    HA   GLN  54           HA       GLN  54  -4.728   7.850  11.356
  346   1HB   GLN  54          2HB       GLN  54  -3.226   5.365  11.654
  347   2HB   GLN  54          1HB       GLN  54  -4.243   5.694  13.055
  348   1HG   GLN  54          2HG       GLN  54  -6.123   5.225  11.906
  349   2HG   GLN  54          1HG       GLN  54  -5.647   6.283  10.578
  350   1HE2  GLN  54          2HE2      GLN  54  -3.618   3.391   9.218
  351   2HE2  GLN  54          1HE2      GLN  54  -3.174   4.885   9.885
  352    H    THR  55           H        THR  55  -1.656   7.965  13.051
  353    HA   THR  55           HA       THR  55  -3.025   8.597  15.572
  354    HB   THR  55           HB       THR  55  -0.629   9.088  16.342
  355    HG1  THR  55           HG1      THR  55   0.926   8.137  14.855
  356   1HG2  THR  55          1HG2      THR  55  -1.978   6.813  16.356
  357   2HG2  THR  55          3HG2      THR  55  -0.758   6.333  15.176
  358   3HG2  THR  55          2HG2      THR  55  -0.269   6.842  16.792
  359    H    HIS  56           H        HIS  56  -1.101  10.319  13.132
  360    HA   HIS  56           HA       HIS  56  -1.858  12.834  14.455
  361   1HB   HIS  56          2HB       HIS  56   0.018  13.734  13.593
  362   2HB   HIS  56          1HB       HIS  56   0.505  12.065  13.426
  363    HD1  HIS  56           HD1      HIS  56  -1.067  14.845  11.326
  364    HD2  HIS  56           HD2      HIS  56   1.164  11.363  10.882
  365    HE1  HIS  56           HE1      HIS  56  -0.154  14.864   8.959
  366    H    LEU  57           H        LEU  57  -3.599  10.964  12.840
  367    HA   LEU  57           HA       LEU  57  -4.754  13.084  11.106
  368   1HB   LEU  57          2HB       LEU  57  -4.011  10.327  10.377
  369   2HB   LEU  57          1HB       LEU  57  -5.667  10.755   9.955
  370    HG   LEU  57           HG       LEU  57  -4.658  12.926   8.999
  371   1HD1  LEU  57           HD1      LEU  57  -2.236  11.289   9.619
  372   2HD1  LEU  57           HD1      LEU  57  -2.234  12.234   8.129
  373   3HD1  LEU  57           HD1      LEU  57  -2.455  13.037   9.683
  374   1HD2  LEU  57           HD2      LEU  57  -4.670  10.181   7.897
  375   2HD2  LEU  57           HD2      LEU  57  -5.403  11.652   7.259
  376   3HD2  LEU  57           HD2      LEU  57  -3.687  11.339   7.001
  377    H    GLU  58           H        GLU  58  -5.228  10.226  13.135
  378    HA   GLU  58           HA       GLU  58  -7.282   9.324  13.978
  379   1HB   GLU  58          2HB       GLU  58  -6.418  10.578  15.800
  380   2HB   GLU  58          1HB       GLU  58  -6.876  12.113  15.061
  381   1HG   GLU  58          2HG       GLU  58  -9.081  11.916  15.684
  382   2HG   GLU  58          1HG       GLU  58  -9.065  10.156  15.567
  383    H    ASP  59           H        ASP  59  -8.324   9.447  11.710
  384    HA   ASP  59           HA       ASP  59 -10.390  11.580  11.553
  385   1HB   ASP  59          2HB       ASP  59  -8.805  10.493   9.607
  386   2HB   ASP  59          1HB       ASP  59 -10.277   9.538   9.423
  387    H    ARG  60           H        ARG  60 -10.419   9.205  13.442
  388    HA   ARG  60           HA       ARG  60 -12.093   7.808  14.316
  389   1HB   ARG  60          2HB       ARG  60 -13.460   9.866  12.975
  390   2HB   ARG  60          1HB       ARG  60 -14.205   8.371  12.407
  391   1HG   ARG  60          2HG       ARG  60 -15.429   8.653  14.336
  392   2HG   ARG  60          1HG       ARG  60 -14.059   7.775  15.018
  393   1HD   ARG  60          2HD       ARG  60 -13.023  10.199  15.239
  394   2HD   ARG  60          1HD       ARG  60 -14.714  10.695  15.189
  395    HE   ARG  60           HE       ARG  60 -15.014   9.042  17.143
  396   1HH1  ARG  60           HH2      ARG  60 -11.767   9.396  16.399
  397   2HH1  ARG  60           HH2      ARG  60 -11.268   9.859  17.993
  398   1HH2  ARG  60           HH1      ARG  60 -14.503  10.166  19.204
  399   2HH2  ARG  60           HH1      ARG  60 -12.817  10.295  19.580
   
  No H/Q in entry =         399
  Start of MODEL   28
    1   1H    THR  14          3H        THR  14  -9.813   1.276  15.417
    2   2H    THR  14          2H        THR  14  -8.748   1.883  14.240
    3   3H    THR  14          1H        THR  14  -8.671   2.457  15.838
    4    HA   THR  14           HA       THR  14 -10.723   3.580  15.656
    5    HB   THR  14           HB       THR  14  -8.682   4.599  14.538
    6    HG1  THR  14           HG1      THR  14  -9.998   6.191  14.293
    7   1HG2  THR  14          1HG2      THR  14 -10.044   3.395  12.118
    8   2HG2  THR  14          3HG2      THR  14  -8.834   4.674  12.015
    9   3HG2  THR  14          2HG2      THR  14  -8.398   3.099  12.679
   10    H    LEU  15           H        LEU  15 -12.745   3.869  14.579
   11    HA   LEU  15           HA       LEU  15 -13.701   1.528  13.170
   12   1HB   LEU  15          2HB       LEU  15 -14.851   3.942  14.341
   13   2HB   LEU  15          1HB       LEU  15 -15.630   3.492  12.823
   14    HG   LEU  15           HG       LEU  15 -15.080   1.263  14.703
   15   1HD1  LEU  15           HD1      LEU  15 -16.485   3.660  15.546
   16   2HD1  LEU  15           HD1      LEU  15 -17.569   2.269  15.531
   17   3HD1  LEU  15           HD1      LEU  15 -16.085   2.219  16.480
   18   1HD2  LEU  15           HD2      LEU  15 -17.130   2.108  12.694
   19   2HD2  LEU  15           HD2      LEU  15 -16.306   0.559  12.869
   20   3HD2  LEU  15           HD2      LEU  15 -17.628   0.984  13.957
   21    HA   PRO  16           HA       PRO  16 -13.831   4.447   9.432
   22   1HB   PRO  16          2HB       PRO  16 -12.748   6.946   9.731
   23   2HB   PRO  16          1HB       PRO  16 -14.446   6.567  10.068
   24   1HG   PRO  16          2HG       PRO  16 -12.226   7.096  11.983
   25   2HG   PRO  16          1HG       PRO  16 -13.971   7.314  12.198
   26   1HD   PRO  16          2HD       PRO  16 -12.420   5.157  13.189
   27   2HD   PRO  16          1HD       PRO  16 -14.194   5.247  13.150
   28    H    ARG  17           H        ARG  17 -12.234   4.613   7.758
   29    HA   ARG  17           HA       ARG  17  -9.404   4.865   8.486
   30   1HB   ARG  17          2HB       ARG  17  -8.998   2.623   7.170
   31   2HB   ARG  17          1HB       ARG  17  -9.414   2.565   8.881
   32   1HG   ARG  17          2HG       ARG  17 -10.888   0.998   7.944
   33   2HG   ARG  17          1HG       ARG  17 -11.883   2.451   8.031
   34   1HD   ARG  17          2HD       ARG  17 -10.464   2.558   5.569
   35   2HD   ARG  17          1HD       ARG  17 -11.138   0.936   5.711
   36    HE   ARG  17           HE       ARG  17 -12.752   3.448   5.792
   37   1HH1  ARG  17           HH1      ARG  17 -14.659   1.965   6.928
   38   2HH1  ARG  17           HH1      ARG  17 -15.286   0.864   5.747
   39   1HH2  ARG  17           HH2      ARG  17 -12.577   1.196   3.608
   40   2HH2  ARG  17           HH2      ARG  17 -14.109   0.428   3.868
   41    H    GLY  18           H        GLY  18 -11.270   6.331   6.800
   42   1HA   GLY  18          2HA       GLY  18 -10.263   5.703   4.067
   43   2HA   GLY  18          1HA       GLY  18 -11.648   6.735   4.425
   44    H    SER  19           H        SER  19  -9.196   7.429   6.598
   45    HA   SER  19           HA       SER  19  -8.365   9.763   4.947
   46   1HB   SER  19          2HB       SER  19  -9.420   9.650   7.534
   47   2HB   SER  19          1HB       SER  19  -7.699   9.944   7.771
   48    HG   SER  19           HG       SER  19  -8.080  11.569   5.982
   49    H    ILE  20           H        ILE  20  -7.192   6.931   5.161
   50    HA   ILE  20           HA       ILE  20  -4.431   7.767   5.915
   51    HB   ILE  20           HB       ILE  20  -5.259   4.886   5.790
   52   1HG1  ILE  20          2HG1      ILE  20  -6.995   5.830   7.171
   53   2HG1  ILE  20          1HG1      ILE  20  -5.813   5.102   8.258
   54   1HG2  ILE  20          2HG2      ILE  20  -3.314   6.469   7.499
   55   2HG2  ILE  20          1HG2      ILE  20  -3.538   4.722   7.567
   56   3HG2  ILE  20          3HG2      ILE  20  -2.890   5.471   6.108
   57   1HD1  ILE  20           HD1      ILE  20  -4.977   7.778   7.719
   58   2HD1  ILE  20           HD1      ILE  20  -6.681   7.821   8.171
   59   3HD1  ILE  20           HD1      ILE  20  -5.498   7.091   9.257
   60    H    ASP  21           H        ASP  21  -6.379   5.827   3.689
   61    HA   ASP  21           HA       ASP  21  -4.143   5.260   1.919
   62   1HB   ASP  21          2HB       ASP  21  -7.137   5.083   1.461
   63   2HB   ASP  21          1HB       ASP  21  -5.910   4.458   0.359
   64    H    LYS  22           H        LYS  22  -6.639   7.732   2.128
   65    HA   LYS  22           HA       LYS  22  -5.983   8.886  -0.476
   66   1HB   LYS  22          2HB       LYS  22  -7.496  10.721   0.246
   67   2HB   LYS  22          1HB       LYS  22  -8.247   9.136   0.444
   68   1HG   LYS  22          2HG       LYS  22  -7.819   9.133   2.806
   69   2HG   LYS  22          1HG       LYS  22  -6.777  10.551   2.681
   70   1HD   LYS  22          2HD       LYS  22  -9.685  10.629   1.865
   71   2HD   LYS  22          1HD       LYS  22  -9.169  10.962   3.518
   72   1HE   LYS  22          2HE       LYS  22  -8.000  12.895   2.905
   73   2HE   LYS  22          1HE       LYS  22  -7.850  12.387   1.222
   74   1HZ   LYS  22          2HZ       LYS  22 -10.569  12.541   1.864
   75   2HZ   LYS  22          1HZ       LYS  22  -9.833  13.985   2.374
   76   3HZ   LYS  22          3HZ       LYS  22  -9.693  13.488   0.757
   77    H    TYR  23           H        TYR  23  -4.253   8.742   2.296
   78    HA   TYR  23           HA       TYR  23  -2.887  11.313   1.674
   79   1HB   TYR  23          2HB       TYR  23  -3.997  10.414   4.311
   80   2HB   TYR  23          1HB       TYR  23  -2.511  11.365   4.291
   81    HD1  TYR  23           HD2      TYR  23  -2.911  13.155   2.006
   82    HD2  TYR  23           HD1      TYR  23  -5.699  11.880   5.014
   83    HE1  TYR  23           HE2      TYR  23  -4.234  15.222   1.653
   84    HE2  TYR  23           HE1      TYR  23  -7.023  13.947   4.663
   85    HH   TYR  23           HH       TYR  23  -6.989  16.013   3.720
   86    H    VAL  24           H        VAL  24  -2.407   8.339   1.234
   87    HA   VAL  24           HA       VAL  24   0.325   8.300   2.429
   88    HB   VAL  24           HB       VAL  24  -1.419   6.747   3.537
   89   1HG1  VAL  24          3HG1      VAL  24  -2.278   6.033   1.215
   90   2HG1  VAL  24          2HG1      VAL  24  -0.843   5.012   1.137
   91   3HG1  VAL  24          1HG1      VAL  24  -2.036   4.759   2.411
   92   1HG2  VAL  24          1HG2      VAL  24   1.182   5.705   2.376
   93   2HG2  VAL  24          3HG2      VAL  24   0.954   6.478   3.946
   94   3HG2  VAL  24          2HG2      VAL  24   0.273   4.879   3.642
   95    H    LYS  25           H        LYS  25   1.787   8.264   0.788
   96    HA   LYS  25           HA       LYS  25   0.913   7.194  -1.851
   97   1HB   LYS  25          2HB       LYS  25   2.222   9.540  -1.192
   98   2HB   LYS  25          1HB       LYS  25   3.540   8.497  -1.728
   99   1HG   LYS  25          2HG       LYS  25   2.880   8.631  -3.881
  100   2HG   LYS  25          1HG       LYS  25   1.211   8.247  -3.457
  101   1HD   LYS  25          2HD       LYS  25   0.764  10.393  -4.036
  102   2HD   LYS  25          1HD       LYS  25   1.483  10.808  -2.479
  103   1HE   LYS  25          2HE       LYS  25   3.308  11.722  -3.452
  104   2HE   LYS  25          1HE       LYS  25   3.492  10.363  -4.560
  105   1HZ   LYS  25          1HZ       LYS  25   1.473  12.512  -4.886
  106   2HZ   LYS  25          3HZ       LYS  25   2.979  12.501  -5.665
  107   3HZ   LYS  25          2HZ       LYS  25   1.844  11.280  -5.994
  108    H    GLU  26           H        GLU  26   1.246   4.960  -1.477
  109    HA   GLU  26           HA       GLU  26   3.859   4.029  -0.495
  110   1HB   GLU  26          2HB       GLU  26   2.877   1.761  -0.880
  111   2HB   GLU  26          1HB       GLU  26   1.866   2.774   0.153
  112   1HG   GLU  26          2HG       GLU  26   0.156   2.518  -1.283
  113   2HG   GLU  26          1HG       GLU  26   1.114   3.292  -2.545
  114    H    MET  27           H        MET  27   5.507   4.254  -1.970
  115    HA   MET  27           HA       MET  27   4.948   3.844  -4.838
  116   1HB   MET  27          2HB       MET  27   7.582   4.495  -3.486
  117   2HB   MET  27          1HB       MET  27   7.217   4.631  -5.206
  118   1HG   MET  27          2HG       MET  27   5.255   6.074  -3.641
  119   2HG   MET  27          1HG       MET  27   6.883   6.627  -3.251
  120   1HE   MET  27          2HE       MET  27   4.033   7.212  -4.917
  121   2HE   MET  27          1HE       MET  27   4.325   7.919  -6.505
  122   3HE   MET  27          3HE       MET  27   4.246   6.162  -6.315
  123    HA   PRO  28           HA       PRO  28   6.236  -0.368  -4.684
  124   1HB   PRO  28          2HB       PRO  28   6.598  -0.705  -7.396
  125   2HB   PRO  28          1HB       PRO  28   5.012  -0.702  -6.606
  126   1HG   PRO  28          2HG       PRO  28   6.303   1.444  -8.239
  127   2HG   PRO  28          1HG       PRO  28   4.582   1.077  -8.024
  128   1HD   PRO  28          2HD       PRO  28   5.954   3.161  -6.739
  129   2HD   PRO  28          1HD       PRO  28   4.395   2.488  -6.216
  130    H    ASP  29           H        ASP  29   8.159   2.261  -5.615
  131    HA   ASP  29           HA       ASP  29  10.540   0.655  -6.255
  132   1HB   ASP  29          2HB       ASP  29  11.648   2.769  -6.617
  133   2HB   ASP  29          1HB       ASP  29  10.048   2.890  -7.349
  134    H    LYS  30           H        LYS  30   8.977   0.954  -3.531
  135    HA   LYS  30           HA       LYS  30   9.652   0.530  -1.332
  136   1HB   LYS  30          2HB       LYS  30  12.446   1.223  -2.227
  137   2HB   LYS  30          1HB       LYS  30  11.984   0.340  -0.778
  138   1HG   LYS  30          2HG       LYS  30  10.791  -1.198  -2.659
  139   2HG   LYS  30          1HG       LYS  30  12.161  -0.594  -3.591
  140   1HD   LYS  30          2HD       LYS  30  13.665  -1.300  -1.695
  141   2HD   LYS  30          1HD       LYS  30  12.265  -2.067  -0.945
  142   1HE   LYS  30          2HE       LYS  30  12.547  -3.881  -2.243
  143   2HE   LYS  30          1HE       LYS  30  12.374  -2.884  -3.688
  144   1HZ   LYS  30          1HZ       LYS  30  14.822  -2.243  -3.100
  145   2HZ   LYS  30          3HZ       LYS  30  14.809  -3.735  -2.295
  146   3HZ   LYS  30          2HZ       LYS  30  14.483  -3.668  -3.960
  147    H    THR  31           H        THR  31   8.461   2.849  -1.882
  148    HA   THR  31           HA       THR  31   9.974   4.780  -0.216
  149    HB   THR  31           HB       THR  31   8.421   5.848  -2.518
  150    HG1  THR  31           HG1      THR  31  11.128   5.180  -2.819
  151   1HG2  THR  31          3HG2      THR  31  10.656   6.678  -0.728
  152   2HG2  THR  31          2HG2      THR  31  10.608   7.358  -2.354
  153   3HG2  THR  31          1HG2      THR  31   9.245   7.594  -1.260
  154    H    PHE  32           H        PHE  32   8.367   6.715   0.268
  155    HA   PHE  32           HA       PHE  32   5.540   6.027   0.332
  156   1HB   PHE  32          2HB       PHE  32   7.287   5.349   2.599
  157   2HB   PHE  32          1HB       PHE  32   5.907   6.350   3.051
  158    HD1  PHE  32           HD2      PHE  32   3.585   5.589   2.561
  159    HD2  PHE  32           HD1      PHE  32   6.998   3.078   1.852
  160    HE1  PHE  32           HE2      PHE  32   2.098   3.611   2.407
  161    HE2  PHE  32           HE1      PHE  32   5.511   1.100   1.698
  162    HZ   PHE  32           HZ       PHE  32   3.061   1.367   1.975
  163    H    GLU  33           H        GLU  33   4.311   7.890   0.759
  164    HA   GLU  33           HA       GLU  33   5.729  10.270   1.814
  165   1HB   GLU  33          2HB       GLU  33   5.591   9.937  -0.884
  166   2HB   GLU  33          1HB       GLU  33   4.081  10.798  -0.587
  167   1HG   GLU  33          2HG       GLU  33   5.147  12.728  -0.025
  168   2HG   GLU  33          1HG       GLU  33   6.414  11.880   0.863
  169    H    CYS  34           H        CYS  34   4.391  10.564   3.559
  170    HA   CYS  34           HA       CYS  34   1.562  10.087   3.578
  171   1HB   CYS  34          2HB       CYS  34   3.081  10.282   5.593
  172   2HB   CYS  34          1HB       CYS  34   3.116  12.021   5.321
  173    H    LEU  35           H        LEU  35   0.376  11.158   2.014
  174    HA   LEU  35           HA       LEU  35   0.979  13.856   1.163
  175   1HB   LEU  35          2HB       LEU  35  -1.520  12.193   0.741
  176   2HB   LEU  35          1HB       LEU  35  -1.109  13.671  -0.130
  177    HG   LEU  35           HG       LEU  35   1.136  11.888  -0.235
  178   1HD1  LEU  35           HD1      LEU  35  -1.563  10.677  -0.711
  179   2HD1  LEU  35           HD1      LEU  35  -0.231  10.218  -1.772
  180   3HD1  LEU  35           HD1      LEU  35  -0.112   9.940  -0.035
  181   1HD2  LEU  35           HD2      LEU  35  -0.507  13.556  -1.943
  182   2HD2  LEU  35           HD2      LEU  35   1.171  13.059  -2.161
  183   3HD2  LEU  35           HD2      LEU  35  -0.136  12.030  -2.747
  184    H    PHE  36           H        PHE  36  -0.244  12.916   4.073
  185    HA   PHE  36           HA       PHE  36  -2.585  14.458   4.440
  186   1HB   PHE  36          2HB       PHE  36  -1.682  12.933   6.163
  187   2HB   PHE  36          1HB       PHE  36  -0.320  14.025   6.412
  188    HD1  PHE  36           HD2      PHE  36  -0.791  16.414   7.181
  189    HD2  PHE  36           HD1      PHE  36  -3.759  13.312   7.235
  190    HE1  PHE  36           HE2      PHE  36  -2.136  17.727   8.798
  191    HE2  PHE  36           HE1      PHE  36  -5.105  14.629   8.845
  192    HZ   PHE  36           HZ       PHE  36  -4.297  16.838   9.625
  193    HA   PRO  37           HA       PRO  37  -1.013  18.544   3.923
  194   1HB   PRO  37          2HB       PRO  37  -3.168  19.880   4.999
  195   2HB   PRO  37          1HB       PRO  37  -3.167  19.172   3.374
  196   1HG   PRO  37          2HG       PRO  37  -4.498  18.179   5.854
  197   2HG   PRO  37          1HG       PRO  37  -4.956  17.935   4.160
  198   1HD   PRO  37          2HD       PRO  37  -3.647  16.043   5.793
  199   2HD   PRO  37          1HD       PRO  37  -3.771  15.973   4.023
  200    H    GLY  38           H        GLY  38   0.662  18.985   5.290
  201   1HA   GLY  38          2HA       GLY  38   1.184  20.462   7.263
  202   2HA   GLY  38          1HA       GLY  38   0.009  19.494   8.164
  203    H    CYS  39           H        CYS  39   1.035  17.103   6.520
  204    HA   CYS  39           HA       CYS  39   2.891  16.123   8.499
  205   1HB   CYS  39          2HB       CYS  39   1.342  14.758   6.973
  206   2HB   CYS  39          1HB       CYS  39   2.551  15.002   5.713
  207    H    THR  40           H        THR  40   5.131  15.326   7.877
  208    HA   THR  40           HA       THR  40   6.466  16.680   5.658
  209    HB   THR  40           HB       THR  40   6.317  18.454   7.442
  210    HG1  THR  40           HG1      THR  40   8.158  19.086   6.692
  211   1HG2  THR  40          2HG2      THR  40   7.261  16.229   9.038
  212   2HG2  THR  40          1HG2      THR  40   8.353  17.607   9.179
  213   3HG2  THR  40          3HG2      THR  40   6.642  17.794   9.566
  214    H    LYS  41           H        LYS  41   6.067  13.941   6.674
  215    HA   LYS  41           HA       LYS  41   8.947  13.200   6.896
  216   1HB   LYS  41          2HB       LYS  41   7.622  13.142   9.134
  217   2HB   LYS  41          1HB       LYS  41   6.839  11.714   8.456
  218   1HG   LYS  41          2HG       LYS  41   8.608  10.540   9.229
  219   2HG   LYS  41          1HG       LYS  41   9.538  11.291   7.932
  220   1HD   LYS  41          2HD       LYS  41  10.646  11.631  10.107
  221   2HD   LYS  41          1HD       LYS  41  10.109  13.170   9.432
  222   1HE   LYS  41          2HE       LYS  41   8.325  13.358  10.943
  223   2HE   LYS  41          1HE       LYS  41   8.316  11.630  11.294
  224   1HZ   LYS  41          2HZ       LYS  41  10.501  11.916  12.358
  225   2HZ   LYS  41          1HZ       LYS  41  10.387  13.593  12.113
  226   3HZ   LYS  41          3HZ       LYS  41   9.277  12.808  13.128
  227    H    THR  42           H        THR  42   9.478  11.637   5.446
  228    HA   THR  42           HA       THR  42   7.242  10.080   4.200
  229    HB   THR  42           HB       THR  42   8.267  10.250   2.130
  230    HG1  THR  42           HG1      THR  42  10.287   9.763   2.020
  231   1HG2  THR  42          2HG2      THR  42   7.713  12.536   2.982
  232   2HG2  THR  42          1HG2      THR  42   9.385  12.699   3.520
  233   3HG2  THR  42          3HG2      THR  42   9.024  12.538   1.802
  234    H    PHE  43           H        PHE  43   7.860   7.843   3.541
  235    HA   PHE  43           HA       PHE  43  10.203   6.782   5.057
  236   1HB   PHE  43          2HB       PHE  43   7.668   5.193   5.004
  237   2HB   PHE  43          1HB       PHE  43   8.963   5.192   6.201
  238    HD1  PHE  43           HD1      PHE  43   6.291   7.415   4.787
  239    HD2  PHE  43           HD2      PHE  43   8.704   6.394   8.193
  240    HE1  PHE  43           HE1      PHE  43   5.023   9.035   6.171
  241    HE2  PHE  43           HE2      PHE  43   7.435   8.014   9.577
  242    HZ   PHE  43           HZ       PHE  43   5.596   9.336   8.566
  243    H    LYS  44           H        LYS  44   9.767   4.076   4.450
  244    HA   LYS  44           HA       LYS  44   9.714   4.030   1.466
  245   1HB   LYS  44          2HB       LYS  44  11.675   2.578   1.447
  246   2HB   LYS  44          1HB       LYS  44  12.070   4.067   2.308
  247   1HG   LYS  44          2HG       LYS  44  11.690   2.959   4.459
  248   2HG   LYS  44          1HG       LYS  44  11.213   1.477   3.632
  249   1HD   LYS  44          2HD       LYS  44  13.365   0.843   3.519
  250   2HD   LYS  44          1HD       LYS  44  13.742   2.290   2.583
  251   1HE   LYS  44          2HE       LYS  44  14.887   3.110   4.336
  252   2HE   LYS  44          1HE       LYS  44  13.406   3.096   5.294
  253   1HZ   LYS  44          3HZ       LYS  44  14.171   0.487   5.229
  254   2HZ   LYS  44          2HZ       LYS  44  15.646   1.317   5.376
  255   3HZ   LYS  44          1HZ       LYS  44  14.415   1.558   6.520
  256    H    ARG  45           H        ARG  45  10.247   1.293   1.180
  257    HA   ARG  45           HA       ARG  45   7.771   0.065   1.423
  258   1HB   ARG  45          2HB       ARG  45  10.308  -0.753   0.645
  259   2HB   ARG  45          1HB       ARG  45   9.941  -1.815   2.004
  260   1HG   ARG  45          2HG       ARG  45   7.803  -2.437   0.960
  261   2HG   ARG  45          1HG       ARG  45   8.137  -1.354  -0.392
  262   1HD   ARG  45          2HD       ARG  45   8.945  -3.307  -1.307
  263   2HD   ARG  45          1HD       ARG  45  10.403  -2.786  -0.463
  264    HE   ARG  45           HE       ARG  45   8.940  -4.316   1.387
  265   1HH1  ARG  45           HH2      ARG  45  11.678  -4.710  -0.214
  266   2HH1  ARG  45           HH2      ARG  45  11.473  -6.370  -0.667
  267   1HH2  ARG  45           HH1      ARG  45   8.108  -6.457   0.161
  268   2HH2  ARG  45           HH1      ARG  45   9.453  -7.360  -0.453
  269    H    ARG  46           H        ARG  46   6.683   0.402   3.378
  270    HA   ARG  46           HA       ARG  46   7.321  -1.384   5.553
  271   1HB   ARG  46          2HB       ARG  46   8.888   0.790   5.694
  272   2HB   ARG  46          1HB       ARG  46   7.453   1.445   6.483
  273   1HG   ARG  46          2HG       ARG  46   8.235   0.453   8.363
  274   2HG   ARG  46          1HG       ARG  46   7.691  -1.059   7.635
  275   1HD   ARG  46          2HD       ARG  46  10.118  -1.031   8.409
  276   2HD   ARG  46          1HD       ARG  46   9.863  -1.509   6.730
  277    HE   ARG  46           HE       ARG  46  10.929   0.495   6.040
  278   1HH1  ARG  46           HH2      ARG  46   9.515   2.530   7.577
  279   2HH1  ARG  46           HH2      ARG  46  10.695   3.072   8.721
  280   1HH2  ARG  46           HH1      ARG  46  12.751   0.310   8.307
  281   2HH2  ARG  46           HH1      ARG  46  12.528   1.814   9.136
  282    H    TYR  47           H        TYR  47   5.626  -1.388   7.153
  283    HA   TYR  47           HA       TYR  47   3.198   0.132   6.307
  284   1HB   TYR  47          2HB       TYR  47   2.476  -1.974   8.072
  285   2HB   TYR  47          1HB       TYR  47   2.124  -1.859   6.348
  286    HD1  TYR  47           HD2      TYR  47   4.287  -2.367   4.814
  287    HD2  TYR  47           HD1      TYR  47   3.620  -3.858   8.784
  288    HE1  TYR  47           HE2      TYR  47   5.846  -4.249   4.365
  289    HE2  TYR  47           HE1      TYR  47   5.177  -5.743   8.339
  290    HH   TYR  47           HH       TYR  47   7.068  -5.898   5.365
  291    H    ASN  48           H        ASN  48   5.338   1.056   8.119
  292    HA   ASN  48           HA       ASN  48   3.868   1.020  10.692
  293   1HB   ASN  48          2HB       ASN  48   6.747   1.644  10.002
  294   2HB   ASN  48          1HB       ASN  48   6.054   2.022  11.580
  295   1HD2  ASN  48           HD2      ASN  48   6.631  -1.913  10.547
  296   2HD2  ASN  48           HD2      ASN  48   6.590  -0.730   9.331
  297    H    ILE  49           H        ILE  49   4.781   2.959   8.023
  298    HA   ILE  49           HA       ILE  49   4.495   5.532   9.332
  299    HB   ILE  49           HB       ILE  49   5.344   6.302   7.393
  300   1HG1  ILE  49          2HG1      ILE  49   2.910   6.549   6.722
  301   2HG1  ILE  49          1HG1      ILE  49   4.052   6.442   5.382
  302   1HG2  ILE  49          2HG2      ILE  49   6.327   4.055   7.167
  303   2HG2  ILE  49          1HG2      ILE  49   4.909   3.529   6.261
  304   3HG2  ILE  49          3HG2      ILE  49   5.973   4.766   5.593
  305   1HD1  ILE  49           HD1      ILE  49   3.252   3.792   6.136
  306   2HD1  ILE  49           HD1      ILE  49   1.810   4.777   5.890
  307   3HD1  ILE  49           HD1      ILE  49   3.001   4.620   4.598
  308    H    ARG  50           H        ARG  50   2.344   3.256   7.749
  309    HA   ARG  50           HA       ARG  50   0.067   4.898   7.399
  310   1HB   ARG  50          2HB       ARG  50   0.373   2.424   6.752
  311   2HB   ARG  50          1HB       ARG  50  -0.069   2.053   8.419
  312   1HG   ARG  50          2HG       ARG  50  -2.185   3.320   8.121
  313   2HG   ARG  50          1HG       ARG  50  -1.751   3.614   6.436
  314   1HD   ARG  50          2HD       ARG  50  -3.282   1.676   6.655
  315   2HD   ARG  50          1HD       ARG  50  -1.715   1.196   6.003
  316    HE   ARG  50           HE       ARG  50  -1.760   0.940   8.880
  317   1HH1  ARG  50           HH2      ARG  50  -1.553  -0.692   5.966
  318   2HH1  ARG  50           HH2      ARG  50  -2.158  -2.202   6.560
  319   1HH2  ARG  50           HH1      ARG  50  -3.085  -0.920   9.645
  320   2HH2  ARG  50           HH1      ARG  50  -3.024  -2.331   8.643
  321    H    SER  51           H        SER  51   1.092   3.025  10.262
  322    HA   SER  51           HA       SER  51  -1.044   3.908  11.952
  323   1HB   SER  51          2HB       SER  51   0.424   1.990  12.519
  324   2HB   SER  51          1HB       SER  51   1.782   3.096  12.712
  325    HG   SER  51           HG       SER  51   0.721   4.052  14.426
  326    H    HIS  52           H        HIS  52   2.128   5.243  11.160
  327    HA   HIS  52           HA       HIS  52   2.280   7.292  13.088
  328   1HB   HIS  52          2HB       HIS  52   4.209   7.478  11.876
  329   2HB   HIS  52          1HB       HIS  52   3.472   6.738  10.460
  330    HD1  HIS  52           HD1      HIS  52   4.835   9.876  11.565
  331    HD2  HIS  52           HD2      HIS  52   1.696   8.791   9.054
  332    HE1  HIS  52           HE1      HIS  52   4.225  11.947  10.237
  333    H    ILE  53           H        ILE  53   0.606   7.274   9.963
  334    HA   ILE  53           HA       ILE  53  -0.380   9.952  10.139
  335    HB   ILE  53           HB       ILE  53  -1.579   7.508   8.779
  336   1HG1  ILE  53          2HG1      ILE  53   0.323   9.680   7.882
  337   2HG1  ILE  53          1HG1      ILE  53   0.568   7.936   7.828
  338   1HG2  ILE  53          3HG2      ILE  53  -3.103   9.512   9.264
  339   2HG2  ILE  53          2HG2      ILE  53  -2.099  10.404   8.121
  340   3HG2  ILE  53          1HG2      ILE  53  -2.995   8.984   7.585
  341   1HD1  ILE  53           HD1      ILE  53  -1.531   7.929   6.277
  342   2HD1  ILE  53           HD1      ILE  53  -1.184   9.646   6.076
  343   3HD1  ILE  53           HD1      ILE  53   0.015   8.443   5.603
  344    H    GLN  54           H        GLN  54  -2.167   6.922  10.666
  345    HA   GLN  54           HA       GLN  54  -4.495   7.811  11.780
  346   1HB   GLN  54          2HB       GLN  54  -3.102   5.381  11.781
  347   2HB   GLN  54          1HB       GLN  54  -3.418   5.716  13.483
  348   1HG   GLN  54          2HG       GLN  54  -5.408   4.683  12.937
  349   2HG   GLN  54          1HG       GLN  54  -5.831   6.345  12.529
  350   1HE2  GLN  54          2HE2      GLN  54  -4.690   4.064   9.302
  351   2HE2  GLN  54          1HE2      GLN  54  -3.753   4.028  10.713
  352    H    THR  55           H        THR  55  -1.322   7.909  13.321
  353    HA   THR  55           HA       THR  55  -2.463   8.683  15.891
  354    HB   THR  55           HB       THR  55   0.237   9.556  15.727
  355    HG1  THR  55           HG1      THR  55   1.212   8.093  14.566
  356   1HG2  THR  55          1HG2      THR  55  -1.395   8.000  17.361
  357   2HG2  THR  55          3HG2      THR  55  -0.146   6.879  16.818
  358   3HG2  THR  55          2HG2      THR  55   0.306   8.369  17.644
  359    H    HIS  56           H        HIS  56  -0.767  10.414  13.281
  360    HA   HIS  56           HA       HIS  56  -1.616  12.930  14.538
  361   1HB   HIS  56          2HB       HIS  56   0.129  13.913  13.499
  362   2HB   HIS  56          1HB       HIS  56   0.721  12.272  13.403
  363    HD1  HIS  56           HD1      HIS  56  -1.126  14.825  11.243
  364    HD2  HIS  56           HD2      HIS  56   1.246  11.434  10.864
  365    HE1  HIS  56           HE1      HIS  56  -0.340  14.753   8.828
  366    H    LEU  57           H        LEU  57  -3.359  10.914  13.145
  367    HA   LEU  57           HA       LEU  57  -4.661  12.828  11.273
  368   1HB   LEU  57          2HB       LEU  57  -3.974  10.021  10.888
  369   2HB   LEU  57          1HB       LEU  57  -5.703  10.297  10.698
  370    HG   LEU  57           HG       LEU  57  -4.464  10.591   8.564
  371   1HD1  LEU  57           HD1      LEU  57  -5.683  13.101   9.751
  372   2HD1  LEU  57           HD1      LEU  57  -5.397  12.841   8.030
  373   3HD1  LEU  57           HD1      LEU  57  -6.545  11.821   8.897
  374   1HD2  LEU  57           HD2      LEU  57  -2.451  11.586   9.955
  375   2HD2  LEU  57           HD2      LEU  57  -2.750  12.150   8.311
  376   3HD2  LEU  57           HD2      LEU  57  -3.288  13.116   9.686
  377    H    GLU  58           H        GLU  58  -4.959  10.569  13.953
  378    HA   GLU  58           HA       GLU  58  -7.879  10.818  14.056
  379   1HB   GLU  58          2HB       GLU  58  -6.160   8.926  14.982
  380   2HB   GLU  58          1HB       GLU  58  -6.410   9.872  16.450
  381   1HG   GLU  58          2HG       GLU  58  -8.614   9.281  16.618
  382   2HG   GLU  58          1HG       GLU  58  -8.847   9.256  14.870
  383    H    ASP  59           H        ASP  59  -5.154  11.903  16.110
  384    HA   ASP  59           HA       ASP  59  -4.980  13.804  17.481
  385   1HB   ASP  59          2HB       ASP  59  -6.352  14.700  15.323
  386   2HB   ASP  59          1HB       ASP  59  -7.569  14.942  16.577
  387    H    ARG  60           H        ARG  60  -6.545  11.361  18.204
  388    HA   ARG  60           HA       ARG  60  -7.674  12.373  20.678
  389   1HB   ARG  60          2HB       ARG  60  -9.985  11.391  20.187
  390   2HB   ARG  60          1HB       ARG  60  -9.605  12.912  19.378
  391   1HG   ARG  60          2HG       ARG  60  -8.748  11.421  17.436
  392   2HG   ARG  60          1HG       ARG  60  -9.664  10.132  18.217
  393   1HD   ARG  60          2HD       ARG  60 -10.921  11.439  16.427
  394   2HD   ARG  60          1HD       ARG  60 -11.723  11.331  17.993
  395    HE   ARG  60           HE       ARG  60 -10.050  13.718  17.648
  396   1HH1  ARG  60           HH2      ARG  60 -12.768  12.762  16.016
  397   2HH1  ARG  60           HH2      ARG  60 -13.808  14.011  16.615
  398   1HH2  ARG  60           HH1      ARG  60 -11.549  15.115  19.002
  399   2HH2  ARG  60           HH1      ARG  60 -13.118  15.342  18.306
   
  No H/Q in entry =         399
  Start of MODEL   29
    1   1H    THR  14          1H        THR  14 -13.104  -1.047   7.905
    2   2H    THR  14          3H        THR  14 -12.945  -2.668   7.434
    3   3H    THR  14          2H        THR  14 -14.062  -2.242   8.641
    4    HA   THR  14           HA       THR  14 -12.222  -3.191   9.752
    5    HB   THR  14           HB       THR  14 -10.270  -1.201   8.754
    6    HG1  THR  14           HG1      THR  14 -10.250  -1.863   6.759
    7   1HG2  THR  14          2HG2      THR  14 -10.345  -3.783  10.014
    8   2HG2  THR  14          1HG2      THR  14  -9.392  -3.888   8.532
    9   3HG2  THR  14          3HG2      THR  14  -8.963  -2.714   9.776
   10    H    LEU  15           H        LEU  15 -10.952  -2.069  11.562
   11    HA   LEU  15           HA       LEU  15 -12.589   0.016  12.695
   12   1HB   LEU  15          2HB       LEU  15 -10.535  -1.742  13.600
   13   2HB   LEU  15          1HB       LEU  15 -10.057  -0.094  14.011
   14    HG   LEU  15           HG       LEU  15 -12.422   0.220  14.924
   15   1HD1  LEU  15           HD1      LEU  15 -12.381  -2.805  14.684
   16   2HD1  LEU  15           HD1      LEU  15 -13.605  -1.867  15.540
   17   3HD1  LEU  15           HD1      LEU  15 -13.440  -1.713  13.791
   18   1HD2  LEU  15           HD2      LEU  15 -10.170  -1.305  16.045
   19   2HD2  LEU  15           HD2      LEU  15 -11.087   0.025  16.752
   20   3HD2  LEU  15           HD2      LEU  15 -11.705  -1.624  16.852
   21    HA   PRO  16           HA       PRO  16  -8.912   2.843  11.692
   22   1HB   PRO  16          2HB       PRO  16  -6.850   1.778  10.235
   23   2HB   PRO  16          1HB       PRO  16  -6.922   1.734  12.004
   24   1HG   PRO  16          2HG       PRO  16  -7.358  -0.475  10.054
   25   2HG   PRO  16          1HG       PRO  16  -6.824  -0.556  11.741
   26   1HD   PRO  16          2HD       PRO  16  -9.437  -1.096  10.783
   27   2HD   PRO  16          1HD       PRO  16  -8.959  -0.898  12.483
   28    H    ARG  17           H        ARG  17 -10.300   3.899  10.213
   29    HA   ARG  17           HA       ARG  17  -9.585   3.727   7.401
   30   1HB   ARG  17          2HB       ARG  17 -11.095   1.800   7.507
   31   2HB   ARG  17          1HB       ARG  17 -12.338   2.793   8.269
   32   1HG   ARG  17          2HG       ARG  17 -13.061   3.023   6.108
   33   2HG   ARG  17          1HG       ARG  17 -11.843   4.298   6.080
   34   1HD   ARG  17          2HD       ARG  17 -10.292   2.144   5.511
   35   2HD   ARG  17          1HD       ARG  17 -11.816   1.631   4.787
   36    HE   ARG  17           HE       ARG  17 -11.289   4.321   3.991
   37   1HH1  ARG  17           HH2      ARG  17 -10.899   1.032   3.216
   38   2HH1  ARG  17           HH2      ARG  17  -9.941   1.318   1.803
   39   1HH2  ARG  17           HH1      ARG  17  -9.719   4.740   2.323
   40   2HH2  ARG  17           HH1      ARG  17  -9.272   3.418   1.296
   41    H    GLY  18           H        GLY  18  -9.189   5.987   8.206
   42   1HA   GLY  18          2HA       GLY  18 -11.717   7.586   8.096
   43   2HA   GLY  18          1HA       GLY  18 -10.363   8.037   9.134
   44    H    SER  19           H        SER  19  -8.190   7.717   7.505
   45    HA   SER  19           HA       SER  19  -8.556   8.808   4.857
   46   1HB   SER  19          2HB       SER  19  -8.267  10.670   7.126
   47   2HB   SER  19          1HB       SER  19  -7.129  10.948   5.810
   48    HG   SER  19           HG       SER  19  -9.172  12.035   5.564
   49    H    ILE  20           H        ILE  20  -7.057   6.695   6.228
   50    HA   ILE  20           HA       ILE  20  -4.261   7.518   6.289
   51    HB   ILE  20           HB       ILE  20  -5.129   4.657   6.016
   52   1HG1  ILE  20          2HG1      ILE  20  -6.739   5.477   7.600
   53   2HG1  ILE  20          1HG1      ILE  20  -5.466   4.699   8.539
   54   1HG2  ILE  20          1HG2      ILE  20  -3.017   6.122   7.625
   55   2HG2  ILE  20          3HG2      ILE  20  -3.287   4.381   7.686
   56   3HG2  ILE  20          2HG2      ILE  20  -2.745   5.137   6.188
   57   1HD1  ILE  20           HD1      ILE  20  -5.514   7.669   7.955
   58   2HD1  ILE  20           HD1      ILE  20  -6.192   6.958   9.419
   59   3HD1  ILE  20           HD1      ILE  20  -4.466   6.816   9.088
   60    H    ASP  21           H        ASP  21  -6.221   5.477   4.134
   61    HA   ASP  21           HA       ASP  21  -4.103   5.276   2.152
   62   1HB   ASP  21          2HB       ASP  21  -7.057   4.606   2.079
   63   2HB   ASP  21          1HB       ASP  21  -5.970   4.326   0.718
   64    H    LYS  22           H        LYS  22  -6.362   7.682   2.969
   65    HA   LYS  22           HA       LYS  22  -6.571   8.786   0.247
   66   1HB   LYS  22          2HB       LYS  22  -8.286   8.912   2.294
   67   2HB   LYS  22          1HB       LYS  22  -7.357  10.367   2.656
   68   1HG   LYS  22          2HG       LYS  22  -7.879  10.315  -0.158
   69   2HG   LYS  22          1HG       LYS  22  -9.399  10.037   0.694
   70   1HD   LYS  22          2HD       LYS  22  -7.678  12.159   1.835
   71   2HD   LYS  22          1HD       LYS  22  -8.359  12.512   0.246
   72   1HE   LYS  22          2HE       LYS  22 -10.054  11.464   2.520
   73   2HE   LYS  22          1HE       LYS  22  -9.784  13.189   2.270
   74   1HZ   LYS  22          2HZ       LYS  22 -10.606  11.607  -0.042
   75   2HZ   LYS  22          1HZ       LYS  22 -11.782  11.912   1.147
   76   3HZ   LYS  22          3HZ       LYS  22 -11.001  13.205   0.377
   77    H    TYR  23           H        TYR  23  -4.096   8.660   2.353
   78    HA   TYR  23           HA       TYR  23  -2.892  11.108   1.250
   79   1HB   TYR  23          2HB       TYR  23  -3.635  10.783   4.134
   80   2HB   TYR  23          1HB       TYR  23  -2.139  11.630   3.736
   81    HD1  TYR  23           HD2      TYR  23  -2.498  13.249   1.533
   82    HD2  TYR  23           HD1      TYR  23  -5.476  12.169   4.432
   83    HE1  TYR  23           HE2      TYR  23  -3.798  15.276   0.949
   84    HE2  TYR  23           HE1      TYR  23  -6.777  14.198   3.850
   85    HH   TYR  23           HH       TYR  23  -7.010  15.849   2.293
   86    H    VAL  24           H        VAL  24  -2.372   8.256   1.000
   87    HA   VAL  24           HA       VAL  24   0.389   8.215   2.146
   88    HB   VAL  24           HB       VAL  24  -1.564   5.907   1.914
   89   1HG1  VAL  24          2HG1      VAL  24   0.870   5.415   1.286
   90   2HG1  VAL  24          1HG1      VAL  24   1.273   5.807   2.957
   91   3HG1  VAL  24          3HG1      VAL  24   0.199   4.454   2.604
   92   1HG2  VAL  24          2HG2      VAL  24  -1.439   7.695   3.906
   93   2HG2  VAL  24          1HG2      VAL  24  -1.729   5.983   4.217
   94   3HG2  VAL  24          3HG2      VAL  24  -0.110   6.654   4.413
   95    H    LYS  25           H        LYS  25   1.746   8.405   0.424
   96    HA   LYS  25           HA       LYS  25   0.896   7.227  -2.178
   97   1HB   LYS  25          2HB       LYS  25   1.891   9.702  -1.657
   98   2HB   LYS  25          1HB       LYS  25   3.380   8.836  -2.036
   99   1HG   LYS  25          2HG       LYS  25   2.532   8.155  -4.182
  100   2HG   LYS  25          1HG       LYS  25   0.914   8.740  -3.790
  101   1HD   LYS  25          2HD       LYS  25   1.478  10.721  -4.694
  102   2HD   LYS  25          1HD       LYS  25   2.634  10.934  -3.379
  103   1HE   LYS  25          2HE       LYS  25   3.476   9.179  -5.632
  104   2HE   LYS  25          1HE       LYS  25   3.390  10.909  -5.961
  105   1HZ   LYS  25          1HZ       LYS  25   4.791   9.794  -3.603
  106   2HZ   LYS  25          3HZ       LYS  25   5.570  10.066  -5.084
  107   3HZ   LYS  25          2HZ       LYS  25   4.894  11.370  -4.230
  108    H    GLU  26           H        GLU  26   1.480   5.046  -1.914
  109    HA   GLU  26           HA       GLU  26   4.158   4.351  -0.924
  110   1HB   GLU  26          2HB       GLU  26   3.464   2.046  -1.251
  111   2HB   GLU  26          1HB       GLU  26   2.135   2.921  -0.491
  112   1HG   GLU  26          2HG       GLU  26   1.187   3.298  -2.812
  113   2HG   GLU  26          1HG       GLU  26   2.409   2.176  -3.412
  114    H    MET  27           H        MET  27   5.927   4.142  -2.224
  115    HA   MET  27           HA       MET  27   5.483   4.238  -5.167
  116   1HB   MET  27          2HB       MET  27   8.081   4.636  -3.667
  117   2HB   MET  27          1HB       MET  27   7.743   5.053  -5.346
  118   1HG   MET  27          2HG       MET  27   5.744   6.354  -3.875
  119   2HG   MET  27          1HG       MET  27   7.219   6.590  -2.936
  120   1HE   MET  27          2HE       MET  27   9.438   6.565  -4.458
  121   2HE   MET  27          1HE       MET  27   9.717   7.970  -5.483
  122   3HE   MET  27          3HE       MET  27   9.294   8.184  -3.778
  123    HA   PRO  28           HA       PRO  28   6.691   0.021  -5.482
  124   1HB   PRO  28          2HB       PRO  28   7.346   0.037  -8.158
  125   2HB   PRO  28          1HB       PRO  28   5.682  -0.011  -7.550
  126   1HG   PRO  28          2HG       PRO  28   7.194   2.290  -8.718
  127   2HG   PRO  28          1HG       PRO  28   5.453   1.955  -8.753
  128   1HD   PRO  28          2HD       PRO  28   6.691   3.803  -7.049
  129   2HD   PRO  28          1HD       PRO  28   5.080   3.101  -6.792
  130    H    ASP  29           H        ASP  29   8.759   2.671  -5.794
  131    HA   ASP  29           HA       ASP  29  11.158   1.049  -6.356
  132   1HB   ASP  29          2HB       ASP  29  12.361   3.151  -6.366
  133   2HB   ASP  29          1HB       ASP  29  10.878   3.381  -7.295
  134    H    LYS  30           H        LYS  30   9.326   0.975  -3.873
  135    HA   LYS  30           HA       LYS  30   9.663   0.420  -1.638
  136   1HB   LYS  30          2HB       LYS  30  12.583   0.873  -2.294
  137   2HB   LYS  30          1HB       LYS  30  11.976   0.173  -0.799
  138   1HG   LYS  30          2HG       LYS  30  11.010  -1.699  -2.013
  139   2HG   LYS  30          1HG       LYS  30  11.456  -0.971  -3.557
  140   1HD   LYS  30          2HD       LYS  30  13.419  -2.067  -3.422
  141   2HD   LYS  30          1HD       LYS  30  13.832  -1.032  -2.054
  142   1HE   LYS  30          2HE       LYS  30  13.782  -2.839  -0.716
  143   2HE   LYS  30          1HE       LYS  30  12.062  -3.013  -1.064
  144   1HZ   LYS  30          3HZ       LYS  30  12.900  -4.122  -3.216
  145   2HZ   LYS  30          2HZ       LYS  30  14.359  -4.316  -2.367
  146   3HZ   LYS  30          1HZ       LYS  30  12.928  -5.012  -1.772
  147    H    THR  31           H        THR  31   8.677   2.827  -2.043
  148    HA   THR  31           HA       THR  31  10.135   4.506  -0.081
  149    HB   THR  31           HB       THR  31   8.847   5.797  -2.448
  150    HG1  THR  31           HG1      THR  31  11.573   5.089  -2.370
  151   1HG2  THR  31          3HG2      THR  31  10.365   6.598  -0.145
  152   2HG2  THR  31          2HG2      THR  31  11.245   7.043  -1.607
  153   3HG2  THR  31          1HG2      THR  31   9.595   7.615  -1.363
  154    H    PHE  32           H        PHE  32   8.566   6.519   0.372
  155    HA   PHE  32           HA       PHE  32   5.717   5.879   0.233
  156   1HB   PHE  32          2HB       PHE  32   7.322   5.188   2.598
  157   2HB   PHE  32          1HB       PHE  32   5.937   6.215   2.969
  158    HD1  PHE  32           HD2      PHE  32   3.644   5.468   2.494
  159    HD2  PHE  32           HD1      PHE  32   7.029   2.943   1.708
  160    HE1  PHE  32           HE2      PHE  32   2.133   3.515   2.266
  161    HE2  PHE  32           HE1      PHE  32   5.518   0.988   1.480
  162    HZ   PHE  32           HZ       PHE  32   3.070   1.276   1.757
  163    H    GLU  33           H        GLU  33   4.464   7.760   0.698
  164    HA   GLU  33           HA       GLU  33   5.918  10.123   1.734
  165   1HB   GLU  33          2HB       GLU  33   5.361   9.669  -1.054
  166   2HB   GLU  33          1HB       GLU  33   4.439  11.062  -0.488
  167   1HG   GLU  33          2HG       GLU  33   7.221  10.963   0.488
  168   2HG   GLU  33          1HG       GLU  33   7.064  11.166  -1.257
  169    H    CYS  34           H        CYS  34   4.468  10.046   3.525
  170    HA   CYS  34           HA       CYS  34   1.623   9.902   3.351
  171   1HB   CYS  34          2HB       CYS  34   2.946   9.710   5.465
  172   2HB   CYS  34          1HB       CYS  34   3.320  11.427   5.358
  173    H    LEU  35           H        LEU  35   0.763  11.236   1.728
  174    HA   LEU  35           HA       LEU  35   1.660  13.986   1.412
  175   1HB   LEU  35          2HB       LEU  35  -0.269  14.090  -0.231
  176   2HB   LEU  35          1HB       LEU  35   0.947  12.860  -0.569
  177    HG   LEU  35           HG       LEU  35  -1.211  11.934   1.202
  178   1HD1  LEU  35           HD1      LEU  35  -1.982  13.540  -0.972
  179   2HD1  LEU  35           HD1      LEU  35  -2.194  11.881  -1.529
  180   3HD1  LEU  35           HD1      LEU  35  -3.010  12.431  -0.066
  181   1HD2  LEU  35           HD2      LEU  35   0.699  10.684  -0.118
  182   2HD2  LEU  35           HD2      LEU  35  -0.893   9.940   0.024
  183   3HD2  LEU  35           HD2      LEU  35  -0.440  10.774  -1.462
  184    H    PHE  36           H        PHE  36   0.053  12.897   3.946
  185    HA   PHE  36           HA       PHE  36  -2.403  14.297   4.080
  186   1HB   PHE  36          2HB       PHE  36  -1.697  12.781   5.859
  187   2HB   PHE  36          1HB       PHE  36  -0.336  13.830   6.250
  188    HD1  PHE  36           HD2      PHE  36  -0.837  16.227   7.027
  189    HD2  PHE  36           HD1      PHE  36  -3.821  13.147   6.811
  190    HE1  PHE  36           HE2      PHE  36  -2.273  17.509   8.588
  191    HE2  PHE  36           HE1      PHE  36  -5.258  14.429   8.367
  192    HZ   PHE  36           HZ       PHE  36  -4.488  16.614   9.255
  193    HA   PRO  37           HA       PRO  37  -1.035  18.478   3.879
  194   1HB   PRO  37          2HB       PRO  37  -3.330  19.664   4.841
  195   2HB   PRO  37          1HB       PRO  37  -3.170  19.030   3.194
  196   1HG   PRO  37          2HG       PRO  37  -4.626  17.861   5.524
  197   2HG   PRO  37          1HG       PRO  37  -4.948  17.676   3.791
  198   1HD   PRO  37          2HD       PRO  37  -3.673  15.768   5.426
  199   2HD   PRO  37          1HD       PRO  37  -3.650  15.787   3.652
  200    H    GLY  38           H        GLY  38   0.562  18.640   5.429
  201   1HA   GLY  38          2HA       GLY  38   0.894  20.149   7.473
  202   2HA   GLY  38          1HA       GLY  38  -0.298  19.101   8.252
  203    H    CYS  39           H        CYS  39   1.038  16.927   6.404
  204    HA   CYS  39           HA       CYS  39   2.786  15.884   8.492
  205   1HB   CYS  39          2HB       CYS  39   1.306  14.525   6.891
  206   2HB   CYS  39          1HB       CYS  39   2.540  14.832   5.669
  207    H    THR  40           H        THR  40   5.062  15.144   7.889
  208    HA   THR  40           HA       THR  40   6.404  16.599   5.740
  209    HB   THR  40           HB       THR  40   7.720  17.240   8.280
  210    HG1  THR  40           HG1      THR  40   5.344  18.636   7.701
  211   1HG2  THR  40          3HG2      THR  40   6.859  18.710   5.787
  212   2HG2  THR  40          2HG2      THR  40   7.601  19.544   7.152
  213   3HG2  THR  40          1HG2      THR  40   8.494  18.288   6.295
  214    H    LYS  41           H        LYS  41   6.059  13.807   6.682
  215    HA   LYS  41           HA       LYS  41   8.957  13.143   6.855
  216   1HB   LYS  41          2HB       LYS  41   8.245  12.937   9.137
  217   2HB   LYS  41          1HB       LYS  41   6.769  12.094   8.664
  218   1HG   LYS  41          2HG       LYS  41   7.947  10.134   8.049
  219   2HG   LYS  41          1HG       LYS  41   9.495  10.979   8.004
  220   1HD   LYS  41          2HD       LYS  41   9.216   9.553  10.043
  221   2HD   LYS  41          1HD       LYS  41   9.469  11.258  10.420
  222   1HE   LYS  41          2HE       LYS  41   6.882  11.428  10.419
  223   2HE   LYS  41          1HE       LYS  41   6.910   9.669  10.542
  224   1HZ   LYS  41          3HZ       LYS  41   8.730  10.473  12.391
  225   2HZ   LYS  41          2HZ       LYS  41   7.511  11.648  12.526
  226   3HZ   LYS  41          1HZ       LYS  41   7.133  10.004  12.718
  227    H    THR  42           H        THR  42   9.501  11.538   5.455
  228    HA   THR  42           HA       THR  42   7.273   9.978   4.206
  229    HB   THR  42           HB       THR  42   8.370  10.069   2.163
  230    HG1  THR  42           HG1      THR  42  10.811  10.821   3.337
  231   1HG2  THR  42          1HG2      THR  42   7.818  12.388   3.016
  232   2HG2  THR  42          3HG2      THR  42   9.515  12.547   3.469
  233   3HG2  THR  42          2HG2      THR  42   9.069  12.336   1.775
  234    H    PHE  43           H        PHE  43   7.996   7.728   3.487
  235    HA   PHE  43           HA       PHE  43  10.232   6.659   5.133
  236   1HB   PHE  43          2HB       PHE  43   7.681   5.102   5.098
  237   2HB   PHE  43          1HB       PHE  43   8.946   5.150   6.324
  238    HD1  PHE  43           HD1      PHE  43   6.323   7.319   4.747
  239    HD2  PHE  43           HD2      PHE  43   8.645   6.444   8.254
  240    HE1  PHE  43           HE1      PHE  43   5.032   9.009   6.024
  241    HE2  PHE  43           HE2      PHE  43   7.353   8.132   9.531
  242    HZ   PHE  43           HZ       PHE  43   5.547   9.415   8.415
  243    H    LYS  44           H        LYS  44   9.690   3.931   4.595
  244    HA   LYS  44           HA       LYS  44   9.761   3.838   1.610
  245   1HB   LYS  44          2HB       LYS  44  11.675   2.610   3.597
  246   2HB   LYS  44          1HB       LYS  44  11.503   1.969   1.962
  247   1HG   LYS  44          2HG       LYS  44  12.707   3.661   1.083
  248   2HG   LYS  44          1HG       LYS  44  11.759   4.869   1.950
  249   1HD   LYS  44          2HD       LYS  44  13.264   3.653   3.952
  250   2HD   LYS  44          1HD       LYS  44  14.385   3.769   2.595
  251   1HE   LYS  44          2HE       LYS  44  13.392   6.217   2.403
  252   2HE   LYS  44          1HE       LYS  44  13.005   5.957   4.104
  253   1HZ   LYS  44          3HZ       LYS  44  15.622   5.061   3.590
  254   2HZ   LYS  44          2HZ       LYS  44  15.461   6.646   3.002
  255   3HZ   LYS  44          1HZ       LYS  44  15.112   6.301   4.629
  256    H    ARG  45           H        ARG  45   9.835   1.234   1.094
  257    HA   ARG  45           HA       ARG  45   7.293   0.214   1.471
  258   1HB   ARG  45          2HB       ARG  45   9.528  -0.731   0.261
  259   2HB   ARG  45          1HB       ARG  45   9.454  -1.814   1.652
  260   1HG   ARG  45          2HG       ARG  45   7.299  -2.609   1.063
  261   2HG   ARG  45          1HG       ARG  45   7.028  -1.277  -0.062
  262   1HD   ARG  45          2HD       ARG  45   7.959  -2.446  -1.743
  263   2HD   ARG  45          1HD       ARG  45   9.430  -2.690  -0.801
  264    HE   ARG  45           HE       ARG  45   7.051  -4.490  -0.563
  265   1HH1  ARG  45           HH1      ARG  45   8.306  -5.767   1.301
  266   2HH1  ARG  45           HH1      ARG  45   9.701  -6.570   0.663
  267   1HH2  ARG  45           HH2      ARG  45   9.773  -4.696  -2.254
  268   2HH2  ARG  45           HH2      ARG  45  10.532  -5.964  -1.350
  269    H    ARG  46           H        ARG  46   6.331   0.293   3.481
  270    HA   ARG  46           HA       ARG  46   7.161  -1.659   5.465
  271   1HB   ARG  46          2HB       ARG  46   8.271   0.959   5.663
  272   2HB   ARG  46          1HB       ARG  46   7.077   0.791   6.951
  273   1HG   ARG  46          2HG       ARG  46   8.192  -1.012   7.933
  274   2HG   ARG  46          1HG       ARG  46   9.027  -1.436   6.438
  275   1HD   ARG  46          2HD       ARG  46  10.338   0.685   6.620
  276   2HD   ARG  46          1HD       ARG  46   9.571   0.985   8.180
  277    HE   ARG  46           HE       ARG  46  10.987  -0.650   9.128
  278   1HH1  ARG  46           HH1      ARG  46  10.545  -3.066   7.733
  279   2HH1  ARG  46           HH1      ARG  46  11.947  -3.289   6.740
  280   1HH2  ARG  46           HH2      ARG  46  12.959   0.020   6.964
  281   2HH2  ARG  46           HH2      ARG  46  13.313  -1.543   6.305
  282    H    TYR  47           H        TYR  47   5.782  -0.839   7.656
  283    HA   TYR  47           HA       TYR  47   3.100   0.037   6.722
  284   1HB   TYR  47          2HB       TYR  47   2.678  -1.974   8.684
  285   2HB   TYR  47          1HB       TYR  47   2.209  -2.023   6.987
  286    HD1  TYR  47           HD2      TYR  47   4.221  -2.546   5.320
  287    HD2  TYR  47           HD1      TYR  47   4.107  -3.618   9.474
  288    HE1  TYR  47           HE2      TYR  47   5.902  -4.327   4.900
  289    HE2  TYR  47           HE1      TYR  47   5.788  -5.402   9.060
  290    HH   TYR  47           HH       TYR  47   7.748  -5.630   6.978
  291    H    ASN  48           H        ASN  48   5.319   1.200   8.355
  292    HA   ASN  48           HA       ASN  48   3.937   1.335  10.975
  293   1HB   ASN  48          2HB       ASN  48   6.666   2.494  10.482
  294   2HB   ASN  48          1HB       ASN  48   5.988   1.853  11.978
  295   1HD2  ASN  48           HD2      ASN  48   7.157  -1.413  11.377
  296   2HD2  ASN  48           HD2      ASN  48   6.436  -0.322  12.461
  297    H    ILE  49           H        ILE  49   4.572   3.034   8.105
  298    HA   ILE  49           HA       ILE  49   4.299   5.698   9.285
  299    HB   ILE  49           HB       ILE  49   5.261   6.360   7.366
  300   1HG1  ILE  49          2HG1      ILE  49   2.851   6.554   6.565
  301   2HG1  ILE  49          1HG1      ILE  49   4.073   6.431   5.299
  302   1HG2  ILE  49          1HG2      ILE  49   6.254   4.108   7.297
  303   2HG2  ILE  49          3HG2      ILE  49   4.881   3.533   6.350
  304   3HG2  ILE  49          2HG2      ILE  49   5.974   4.737   5.674
  305   1HD1  ILE  49           HD1      ILE  49   3.216   3.797   6.124
  306   2HD1  ILE  49           HD1      ILE  49   1.826   4.773   5.649
  307   3HD1  ILE  49           HD1      ILE  49   3.160   4.531   4.521
  308    H    ARG  50           H        ARG  50   2.275   3.317   7.673
  309    HA   ARG  50           HA       ARG  50  -0.008   4.970   7.225
  310   1HB   ARG  50          2HB       ARG  50  -0.068   2.047   8.032
  311   2HB   ARG  50          1HB       ARG  50  -1.271   2.919   7.081
  312   1HG   ARG  50          2HG       ARG  50   0.590   3.357   5.384
  313   2HG   ARG  50          1HG       ARG  50   1.543   2.165   6.269
  314   1HD   ARG  50          2HD       ARG  50   0.099   0.407   5.715
  315   2HD   ARG  50          1HD       ARG  50  -1.250   1.492   5.379
  316    HE   ARG  50           HE       ARG  50   0.364   2.234   3.394
  317   1HH1  ARG  50           HH2      ARG  50   1.204  -0.721   4.668
  318   2HH1  ARG  50           HH2      ARG  50   0.934  -1.637   3.223
  319   1HH2  ARG  50           HH1      ARG  50  -0.586   0.981   1.531
  320   2HH2  ARG  50           HH1      ARG  50  -0.081  -0.673   1.447
  321    H    SER  51           H        SER  51   1.094   3.137  10.053
  322    HA   SER  51           HA       SER  51  -1.208   3.815  11.680
  323   1HB   SER  51          2HB       SER  51   1.051   2.147  11.938
  324   2HB   SER  51          1HB       SER  51   1.202   3.343  13.223
  325    HG   SER  51           HG       SER  51  -0.194   1.286  13.445
  326    H    HIS  52           H        HIS  52   1.966   5.222  11.068
  327    HA   HIS  52           HA       HIS  52   1.991   7.165  13.137
  328   1HB   HIS  52          2HB       HIS  52   4.004   7.483  12.121
  329   2HB   HIS  52          1HB       HIS  52   3.455   6.645  10.675
  330    HD1  HIS  52           HD1      HIS  52   4.658   9.847  11.681
  331    HD2  HIS  52           HD2      HIS  52   1.673   8.590   9.067
  332    HE1  HIS  52           HE1      HIS  52   4.082  11.846  10.234
  333    H    ILE  53           H        ILE  53   0.460   7.182   9.953
  334    HA   ILE  53           HA       ILE  53  -0.454   9.901  10.062
  335    HB   ILE  53           HB       ILE  53  -1.668   7.489   8.656
  336   1HG1  ILE  53          2HG1      ILE  53   0.395   9.546   7.845
  337   2HG1  ILE  53          1HG1      ILE  53   0.546   7.789   7.821
  338   1HG2  ILE  53          3HG2      ILE  53  -3.121   9.564   9.021
  339   2HG2  ILE  53          2HG2      ILE  53  -2.004  10.401   7.944
  340   3HG2  ILE  53          1HG2      ILE  53  -2.930   9.020   7.355
  341   1HD1  ILE  53           HD1      ILE  53  -1.198   7.673   6.064
  342   2HD1  ILE  53           HD1      ILE  53  -1.303   9.434   6.066
  343   3HD1  ILE  53           HD1      ILE  53   0.183   8.640   5.544
  344    H    GLN  54           H        GLN  54  -2.259   6.876  10.605
  345    HA   GLN  54           HA       GLN  54  -4.653   7.813  11.548
  346   1HB   GLN  54          2HB       GLN  54  -3.062   5.417  12.002
  347   2HB   GLN  54          1HB       GLN  54  -4.030   5.830  13.418
  348   1HG   GLN  54          2HG       GLN  54  -5.911   5.137  12.400
  349   2HG   GLN  54          1HG       GLN  54  -5.595   6.187  11.017
  350   1HE2  GLN  54          2HE2      GLN  54  -3.576   3.510   9.418
  351   2HE2  GLN  54          1HE2      GLN  54  -3.322   5.124   9.876
  352    H    THR  55           H        THR  55  -1.559   7.984  13.230
  353    HA   THR  55           HA       THR  55  -2.794   8.847  15.722
  354    HB   THR  55           HB       THR  55   0.062   9.440  14.975
  355    HG1  THR  55           HG1      THR  55   0.547   7.307  15.593
  356   1HG2  THR  55          2HG2      THR  55  -1.326   8.584  17.529
  357   2HG2  THR  55          1HG2      THR  55   0.399   8.916  17.373
  358   3HG2  THR  55          3HG2      THR  55  -0.772  10.214  17.144
  359    H    HIS  56           H        HIS  56  -1.006  10.516  13.124
  360    HA   HIS  56           HA       HIS  56  -1.928  13.056  14.269
  361   1HB   HIS  56          2HB       HIS  56  -0.210  14.058  13.179
  362   2HB   HIS  56          1HB       HIS  56   0.447  12.443  13.271
  363    HD1  HIS  56           HD1      HIS  56  -1.372  14.703  10.788
  364    HD2  HIS  56           HD2      HIS  56   1.141  11.395  10.853
  365    HE1  HIS  56           HE1      HIS  56  -0.448  14.439   8.439
  366    H    LEU  57           H        LEU  57  -3.602  10.966  12.865
  367    HA   LEU  57           HA       LEU  57  -4.868  12.807  10.897
  368   1HB   LEU  57          2HB       LEU  57  -4.224   9.974  10.702
  369   2HB   LEU  57          1HB       LEU  57  -5.950  10.253  10.491
  370    HG   LEU  57           HG       LEU  57  -4.687  10.396   8.345
  371   1HD1  LEU  57           HD1      LEU  57  -5.975  12.932   9.396
  372   2HD1  LEU  57           HD1      LEU  57  -5.593  12.661   7.696
  373   3HD1  LEU  57           HD1      LEU  57  -6.764  11.625   8.512
  374   1HD2  LEU  57           HD2      LEU  57  -2.684  11.478   9.666
  375   2HD2  LEU  57           HD2      LEU  57  -2.990  11.965   8.000
  376   3HD2  LEU  57           HD2      LEU  57  -3.529  12.989   9.330
  377    H    GLU  58           H        GLU  58  -5.216  10.750  13.719
  378    HA   GLU  58           HA       GLU  58  -8.136  11.125  13.804
  379   1HB   GLU  58          2HB       GLU  58  -7.149   9.007  14.602
  380   2HB   GLU  58          1HB       GLU  58  -6.233   9.893  15.821
  381   1HG   GLU  58          2HG       GLU  58  -8.933  10.723  16.075
  382   2HG   GLU  58          1HG       GLU  58  -8.953   8.964  15.950
  383    H    ASP  59           H        ASP  59  -5.761  11.628  16.413
  384    HA   ASP  59           HA       ASP  59  -6.242  14.467  16.619
  385   1HB   ASP  59          2HB       ASP  59  -8.139  12.691  17.899
  386   2HB   ASP  59          1HB       ASP  59  -7.283  13.652  19.106
  387    H    ARG  60           H        ARG  60  -5.657  11.677  18.798
  388    HA   ARG  60           HA       ARG  60  -3.377  13.163  19.979
  389   1HB   ARG  60          2HB       ARG  60  -5.118  11.909  21.380
  390   2HB   ARG  60          1HB       ARG  60  -4.380  10.424  20.779
  391   1HG   ARG  60          2HG       ARG  60  -2.153  11.321  21.605
  392   2HG   ARG  60          1HG       ARG  60  -3.058  12.603  22.411
  393   1HD   ARG  60          2HD       ARG  60  -4.468  10.522  23.318
  394   2HD   ARG  60          1HD       ARG  60  -2.942   9.685  23.033
  395    HE   ARG  60           HE       ARG  60  -3.436  11.387  25.241
  396   1HH1  ARG  60           HH2      ARG  60  -1.043  10.288  23.068
  397   2HH1  ARG  60           HH2      ARG  60   0.248  11.174  23.810
  398   1HH2  ARG  60           HH1      ARG  60  -1.815  12.817  26.060
  399   2HH2  ARG  60           HH1      ARG  60  -0.189  12.605  25.503
   
  No H/Q in entry =         399
  Start of MODEL   30
    1   1H    THR  14          2H        THR  14 -12.049  -1.412   3.085
    2   2H    THR  14          1H        THR  14 -10.940  -0.126   3.077
    3   3H    THR  14          3H        THR  14 -10.475  -1.647   2.488
    4    HA   THR  14           HA       THR  14 -10.637  -2.613   4.667
    5    HB   THR  14           HB       THR  14  -9.106  -0.391   5.607
    6    HG1  THR  14           HG1      THR  14  -8.294  -1.060   3.021
    7   1HG2  THR  14          1HG2      THR  14  -8.864  -3.137   5.271
    8   2HG2  THR  14          3HG2      THR  14  -7.637  -2.480   4.187
    9   3HG2  THR  14          2HG2      THR  14  -7.616  -2.061   5.901
   10    H    LEU  15           H        LEU  15 -11.442  -2.494   6.773
   11    HA   LEU  15           HA       LEU  15 -13.686  -0.996   7.380
   12   1HB   LEU  15          2HB       LEU  15 -12.054  -2.762   8.786
   13   2HB   LEU  15          1HB       LEU  15 -12.017  -1.284   9.749
   14    HG   LEU  15           HG       LEU  15 -13.900  -2.620  10.491
   15   1HD1  LEU  15           HD1      LEU  15 -14.066  -0.005   9.745
   16   2HD1  LEU  15           HD1      LEU  15 -15.385  -0.694   8.799
   17   3HD1  LEU  15           HD1      LEU  15 -15.369  -0.874  10.553
   18   1HD2  LEU  15           HD2      LEU  15 -14.471  -2.755   7.531
   19   2HD2  LEU  15           HD2      LEU  15 -14.359  -4.078   8.692
   20   3HD2  LEU  15           HD2      LEU  15 -15.758  -3.005   8.709
   21    HA   PRO  16           HA       PRO  16 -11.054   2.480   9.248
   22   1HB   PRO  16          2HB       PRO  16  -8.334   2.308   8.973
   23   2HB   PRO  16          1HB       PRO  16  -9.225   1.619  10.340
   24   1HG   PRO  16          2HG       PRO  16  -7.966   0.224   8.030
   25   2HG   PRO  16          1HG       PRO  16  -8.311  -0.385   9.656
   26   1HD   PRO  16          2HD       PRO  16  -9.833  -0.894   7.317
   27   2HD   PRO  16          1HD       PRO  16 -10.311  -1.264   8.987
   28    H    ARG  17           H        ARG  17 -11.259   4.251   7.922
   29    HA   ARG  17           HA       ARG  17  -9.473   4.686   5.673
   30   1HB   ARG  17          2HB       ARG  17 -11.163   4.673   3.904
   31   2HB   ARG  17          1HB       ARG  17 -11.104   3.086   4.673
   32   1HG   ARG  17          2HG       ARG  17 -12.993   5.084   5.827
   33   2HG   ARG  17          1HG       ARG  17 -13.420   4.379   4.266
   34   1HD   ARG  17          2HD       ARG  17 -13.745   2.292   5.145
   35   2HD   ARG  17          1HD       ARG  17 -12.452   2.477   6.329
   36    HE   ARG  17           HE       ARG  17 -14.060   3.265   7.862
   37   1HH1  ARG  17           HH1      ARG  17 -15.162   5.604   6.673
   38   2HH1  ARG  17           HH1      ARG  17 -16.771   5.160   6.212
   39   1HH2  ARG  17           HH2      ARG  17 -16.161   1.750   6.382
   40   2HH2  ARG  17           HH2      ARG  17 -17.337   2.977   6.047
   41    H    GLY  18           H        GLY  18 -10.036   6.179   7.980
   42   1HA   GLY  18          2HA       GLY  18 -12.031   8.199   7.606
   43   2HA   GLY  18          1HA       GLY  18 -10.616   8.353   8.649
   44    H    SER  19           H        SER  19  -8.482   8.421   7.115
   45    HA   SER  19           HA       SER  19  -8.766   9.820   4.608
   46   1HB   SER  19          2HB       SER  19  -8.618  11.400   7.114
   47   2HB   SER  19          1HB       SER  19  -7.536  11.911   5.823
   48    HG   SER  19           HG       SER  19  -9.503  12.931   5.544
   49    H    ILE  20           H        ILE  20  -7.203   7.662   5.982
   50    HA   ILE  20           HA       ILE  20  -4.453   8.749   5.826
   51    HB   ILE  20           HB       ILE  20  -5.548   6.087   6.763
   52   1HG1  ILE  20          2HG1      ILE  20  -3.873   7.616   8.585
   53   2HG1  ILE  20          1HG1      ILE  20  -5.246   8.575   8.031
   54   1HG2  ILE  20          2HG2      ILE  20  -2.964   6.691   5.714
   55   2HG2  ILE  20          1HG2      ILE  20  -2.799   6.492   7.458
   56   3HG2  ILE  20          3HG2      ILE  20  -3.500   5.199   6.485
   57   1HD1  ILE  20           HD1      ILE  20  -6.757   6.677   8.629
   58   2HD1  ILE  20           HD1      ILE  20  -5.365   5.821   9.291
   59   3HD1  ILE  20           HD1      ILE  20  -5.900   7.334  10.023
   60    H    ASP  21           H        ASP  21  -6.529   6.288   4.344
   61    HA   ASP  21           HA       ASP  21  -4.535   5.299   2.521
   62   1HB   ASP  21          2HB       ASP  21  -7.499   5.100   2.783
   63   2HB   ASP  21          1HB       ASP  21  -6.803   4.735   1.203
   64    H    LYS  22           H        LYS  22  -6.490   8.151   2.567
   65    HA   LYS  22           HA       LYS  22  -6.034   8.636  -0.325
   66   1HB   LYS  22          2HB       LYS  22  -7.538  10.522  -0.067
   67   2HB   LYS  22          1HB       LYS  22  -8.272   9.121   0.714
   68   1HG   LYS  22          2HG       LYS  22  -7.438   9.896   2.902
   69   2HG   LYS  22          1HG       LYS  22  -6.696  11.295   2.125
   70   1HD   LYS  22          2HD       LYS  22  -9.620  10.773   1.697
   71   2HD   LYS  22          1HD       LYS  22  -9.091  11.511   3.210
   72   1HE   LYS  22          2HE       LYS  22  -8.634  13.487   2.208
   73   2HE   LYS  22          1HE       LYS  22  -7.816  12.703   0.856
   74   1HZ   LYS  22          2HZ       LYS  22 -10.042  12.119  -0.017
   75   2HZ   LYS  22          1HZ       LYS  22 -10.740  13.063   1.212
   76   3HZ   LYS  22          3HZ       LYS  22  -9.756  13.793   0.039
   77    H    TYR  23           H        TYR  23  -3.977   8.731   1.995
   78    HA   TYR  23           HA       TYR  23  -2.659  11.180   1.024
   79   1HB   TYR  23          2HB       TYR  23  -3.715  10.839   3.807
   80   2HB   TYR  23          1HB       TYR  23  -2.180  11.681   3.586
   81    HD1  TYR  23           HD2      TYR  23  -2.214  13.413   1.516
   82    HD2  TYR  23           HD1      TYR  23  -5.644  12.141   3.764
   83    HE1  TYR  23           HE2      TYR  23  -3.432  15.454   0.809
   84    HE2  TYR  23           HE1      TYR  23  -6.863  14.182   3.059
   85    HH   TYR  23           HH       TYR  23  -6.075  16.018   0.553
   86    H    VAL  24           H        VAL  24  -2.257   8.194   1.044
   87    HA   VAL  24           HA       VAL  24   0.433   8.195   2.360
   88    HB   VAL  24           HB       VAL  24  -1.478   5.869   1.974
   89   1HG1  VAL  24          3HG1      VAL  24   0.993   5.358   1.713
   90   2HG1  VAL  24          2HG1      VAL  24   1.208   5.907   3.375
   91   3HG1  VAL  24          1HG1      VAL  24   0.197   4.503   3.034
   92   1HG2  VAL  24          3HG2      VAL  24  -1.510   7.796   3.933
   93   2HG2  VAL  24          2HG2      VAL  24  -2.098   6.148   4.147
   94   3HG2  VAL  24          1HG2      VAL  24  -0.464   6.574   4.654
   95    H    LYS  25           H        LYS  25   1.660   8.712   0.540
   96    HA   LYS  25           HA       LYS  25   1.144   7.408  -2.033
   97   1HB   LYS  25          2HB       LYS  25   2.937   9.532  -1.002
   98   2HB   LYS  25          1HB       LYS  25   3.578   8.579  -2.341
   99   1HG   LYS  25          2HG       LYS  25   0.800   9.258  -2.813
  100   2HG   LYS  25          1HG       LYS  25   1.755  10.712  -2.518
  101   1HD   LYS  25          2HD       LYS  25   3.430   9.298  -4.157
  102   2HD   LYS  25          1HD       LYS  25   1.851   8.831  -4.789
  103   1HE   LYS  25          2HE       LYS  25   1.239  11.266  -4.885
  104   2HE   LYS  25          1HE       LYS  25   2.900  11.651  -4.432
  105   1HZ   LYS  25          1HZ       LYS  25   3.622  10.342  -6.393
  106   2HZ   LYS  25          3HZ       LYS  25   1.998  10.204  -6.859
  107   3HZ   LYS  25          2HZ       LYS  25   2.732  11.734  -6.791
  108    H    GLU  26           H        GLU  26   1.489   5.177  -1.676
  109    HA   GLU  26           HA       GLU  26   4.140   4.351  -0.619
  110   1HB   GLU  26          2HB       GLU  26   3.201   2.121  -0.490
  111   2HB   GLU  26          1HB       GLU  26   2.020   3.243   0.187
  112   1HG   GLU  26          2HG       GLU  26   1.203   3.309  -2.364
  113   2HG   GLU  26          1HG       GLU  26   1.923   1.700  -2.363
  114    H    MET  27           H        MET  27   5.724   4.245  -2.146
  115    HA   MET  27           HA       MET  27   5.007   3.701  -4.956
  116   1HB   MET  27          2HB       MET  27   7.748   4.207  -3.766
  117   2HB   MET  27          1HB       MET  27   7.296   4.301  -5.469
  118   1HG   MET  27          2HG       MET  27   5.736   5.980  -3.566
  119   2HG   MET  27          1HG       MET  27   7.394   6.480  -3.900
  120   1HE   MET  27          1HE       MET  27   4.018   5.787  -4.834
  121   2HE   MET  27          3HE       MET  27   3.679   6.613  -6.362
  122   3HE   MET  27          2HE       MET  27   4.335   4.977  -6.367
  123    HA   PRO  28           HA       PRO  28   5.981  -0.580  -4.606
  124   1HB   PRO  28          2HB       PRO  28   6.270  -1.092  -7.297
  125   2HB   PRO  28          1HB       PRO  28   4.701  -0.911  -6.492
  126   1HG   PRO  28          2HG       PRO  28   6.142   1.021  -8.259
  127   2HG   PRO  28          1HG       PRO  28   4.400   0.819  -7.999
  128   1HD   PRO  28          2HD       PRO  28   5.979   2.842  -6.853
  129   2HD   PRO  28          1HD       PRO  28   4.371   2.348  -6.282
  130    H    ASP  29           H        ASP  29   8.093   1.815  -5.790
  131    HA   ASP  29           HA       ASP  29  10.313  -0.041  -6.309
  132   1HB   ASP  29          2HB       ASP  29  11.597   2.208  -6.489
  133   2HB   ASP  29          1HB       ASP  29  10.400   1.843  -7.731
  134    H    LYS  30           H        LYS  30   8.852   0.651  -3.601
  135    HA   LYS  30           HA       LYS  30   9.571   0.289  -1.397
  136   1HB   LYS  30          2HB       LYS  30  12.362   0.880  -2.360
  137   2HB   LYS  30          1HB       LYS  30  11.901   0.085  -0.861
  138   1HG   LYS  30          2HG       LYS  30  11.489  -1.918  -1.894
  139   2HG   LYS  30          1HG       LYS  30  10.892  -1.153  -3.366
  140   1HD   LYS  30          2HD       LYS  30  13.636  -0.462  -3.143
  141   2HD   LYS  30          1HD       LYS  30  13.517  -2.195  -2.832
  142   1HE   LYS  30          2HE       LYS  30  11.879  -2.088  -4.934
  143   2HE   LYS  30          1HE       LYS  30  12.849  -0.663  -5.308
  144   1HZ   LYS  30          3HZ       LYS  30  14.662  -2.565  -4.546
  145   2HZ   LYS  30          2HZ       LYS  30  13.541  -3.422  -5.493
  146   3HZ   LYS  30          1HZ       LYS  30  14.338  -2.065  -6.134
  147    H    THR  31           H        THR  31   8.335   2.489  -1.722
  148    HA   THR  31           HA       THR  31   9.961   4.519  -0.334
  149    HB   THR  31           HB       THR  31   8.342   5.566  -2.581
  150    HG1  THR  31           HG1      THR  31  10.542   5.204  -3.732
  151   1HG2  THR  31          1HG2      THR  31  11.003   6.212  -1.300
  152   2HG2  THR  31          3HG2      THR  31  10.386   7.062  -2.716
  153   3HG2  THR  31          2HG2      THR  31   9.506   7.139  -1.191
  154    H    PHE  32           H        PHE  32   8.437   6.474   0.191
  155    HA   PHE  32           HA       PHE  32   5.587   5.894   0.347
  156   1HB   PHE  32          2HB       PHE  32   7.382   5.191   2.574
  157   2HB   PHE  32          1HB       PHE  32   6.034   6.227   3.045
  158    HD1  PHE  32           HD2      PHE  32   3.681   5.522   2.543
  159    HD2  PHE  32           HD1      PHE  32   7.036   2.906   1.943
  160    HE1  PHE  32           HE2      PHE  32   2.147   3.576   2.449
  161    HE2  PHE  32           HE1      PHE  32   5.502   0.960   1.849
  162    HZ   PHE  32           HZ       PHE  32   3.057   1.295   2.102
  163    H    GLU  33           H        GLU  33   4.416   7.787   1.122
  164    HA   GLU  33           HA       GLU  33   5.946  10.100   2.054
  165   1HB   GLU  33          2HB       GLU  33   5.706   9.719  -0.723
  166   2HB   GLU  33          1HB       GLU  33   4.531  10.971  -0.315
  167   1HG   GLU  33          2HG       GLU  33   6.162  12.416   0.528
  168   2HG   GLU  33          1HG       GLU  33   7.305  11.108   0.835
  169    H    CYS  34           H        CYS  34   4.391   9.976   3.775
  170    HA   CYS  34           HA       CYS  34   1.565   9.987   3.465
  171   1HB   CYS  34          2HB       CYS  34   2.704   9.657   5.635
  172   2HB   CYS  34          1HB       CYS  34   3.275  11.322   5.592
  173    H    LEU  35           H        LEU  35   0.953  11.383   1.765
  174    HA   LEU  35           HA       LEU  35   1.906  14.122   1.622
  175   1HB   LEU  35          2HB       LEU  35   0.070  14.301  -0.144
  176   2HB   LEU  35          1HB       LEU  35   1.325  13.099  -0.446
  177    HG   LEU  35           HG       LEU  35  -0.903  12.054   1.149
  178   1HD1  LEU  35           HD1      LEU  35  -2.108  13.682  -0.327
  179   2HD1  LEU  35           HD1      LEU  35  -1.426  12.857  -1.729
  180   3HD1  LEU  35           HD1      LEU  35  -2.535  12.003  -0.657
  181   1HD2  LEU  35           HD2      LEU  35   1.054  10.880  -0.122
  182   2HD2  LEU  35           HD2      LEU  35  -0.550  10.149  -0.187
  183   3HD2  LEU  35           HD2      LEU  35   0.042  11.098  -1.550
  184    H    PHE  36           H        PHE  36   0.008  12.951   3.952
  185    HA   PHE  36           HA       PHE  36  -2.406  14.367   3.973
  186   1HB   PHE  36          2HB       PHE  36  -1.868  12.911   5.810
  187   2HB   PHE  36          1HB       PHE  36  -0.434  13.852   6.212
  188    HD1  PHE  36           HD2      PHE  36  -0.754  16.286   6.967
  189    HD2  PHE  36           HD1      PHE  36  -3.966  13.446   6.737
  190    HE1  PHE  36           HE2      PHE  36  -2.096  17.680   8.512
  191    HE2  PHE  36           HE1      PHE  36  -5.310  14.842   8.279
  192    HZ   PHE  36           HZ       PHE  36  -4.379  16.962   9.167
  193    HA   PRO  37           HA       PRO  37  -1.122  18.568   3.791
  194   1HB   PRO  37          2HB       PRO  37  -3.465  19.719   4.679
  195   2HB   PRO  37          1HB       PRO  37  -3.243  19.075   3.042
  196   1HG   PRO  37          2HG       PRO  37  -4.747  17.896   5.337
  197   2HG   PRO  37          1HG       PRO  37  -5.013  17.690   3.598
  198   1HD   PRO  37          2HD       PRO  37  -3.750  15.821   5.287
  199   2HD   PRO  37          1HD       PRO  37  -3.674  15.825   3.512
  200    H    GLY  38           H        GLY  38   0.437  18.694   5.392
  201   1HA   GLY  38          2HA       GLY  38   0.687  20.287   7.408
  202   2HA   GLY  38          1HA       GLY  38  -0.484  19.211   8.182
  203    H    CYS  39           H        CYS  39   0.896  17.039   6.405
  204    HA   CYS  39           HA       CYS  39   2.675  16.079   8.507
  205   1HB   CYS  39          2HB       CYS  39   1.205  14.675   6.923
  206   2HB   CYS  39          1HB       CYS  39   2.458  14.953   5.713
  207    H    THR  40           H        THR  40   4.958  15.334   7.880
  208    HA   THR  40           HA       THR  40   6.264  16.794   5.708
  209    HB   THR  40           HB       THR  40   6.046  18.454   7.636
  210    HG1  THR  40           HG1      THR  40   8.391  17.633   6.378
  211   1HG2  THR  40          1HG2      THR  40   6.943  16.262   9.114
  212   2HG2  THR  40          3HG2      THR  40   8.341  17.334   9.034
  213   3HG2  THR  40          2HG2      THR  40   6.814  17.925   9.688
  214    H    LYS  41           H        LYS  41   5.931  13.992   6.688
  215    HA   LYS  41           HA       LYS  41   8.841  13.340   6.860
  216   1HB   LYS  41          2HB       LYS  41   6.964  12.959   8.929
  217   2HB   LYS  41          1HB       LYS  41   7.235  11.362   8.229
  218   1HG   LYS  41          2HG       LYS  41   9.759  12.003   8.337
  219   2HG   LYS  41          1HG       LYS  41   9.232  13.230   9.490
  220   1HD   LYS  41          2HD       LYS  41   8.397  10.346   9.787
  221   2HD   LYS  41          1HD       LYS  41   9.930  10.926  10.439
  222   1HE   LYS  41          2HE       LYS  41   7.487  12.528  11.043
  223   2HE   LYS  41          1HE       LYS  41   7.679  10.991  11.884
  224   1HZ   LYS  41          1HZ       LYS  41  10.035  12.687  11.756
  225   2HZ   LYS  41          3HZ       LYS  41   8.766  13.260  12.724
  226   3HZ   LYS  41          2HZ       LYS  41   9.448  11.734  13.034
  227    H    THR  42           H        THR  42   9.440  11.414   5.777
  228    HA   THR  42           HA       THR  42   7.267  10.061   4.231
  229    HB   THR  42           HB       THR  42   8.571  10.065   2.253
  230    HG1  THR  42           HG1      THR  42  10.645   9.971   2.412
  231   1HG2  THR  42          2HG2      THR  42   8.671  12.699   3.711
  232   2HG2  THR  42          1HG2      THR  42   9.258  12.547   2.055
  233   3HG2  THR  42          3HG2      THR  42   7.570  12.194   2.429
  234    H    PHE  43           H        PHE  43   8.169   7.895   3.311
  235    HA   PHE  43           HA       PHE  43  10.288   6.718   5.009
  236   1HB   PHE  43          2HB       PHE  43   7.674   5.250   4.825
  237   2HB   PHE  43          1HB       PHE  43   8.954   5.097   6.030
  238    HD1  PHE  43           HD1      PHE  43   6.409   7.511   4.727
  239    HD2  PHE  43           HD2      PHE  43   8.814   6.270   8.063
  240    HE1  PHE  43           HE1      PHE  43   5.243   9.151   6.176
  241    HE2  PHE  43           HE2      PHE  43   7.646   7.909   9.513
  242    HZ   PHE  43           HZ       PHE  43   5.862   9.350   8.570
  243    H    LYS  44           H        LYS  44  10.178   4.126   4.318
  244    HA   LYS  44           HA       LYS  44   9.699   3.915   1.408
  245   1HB   LYS  44          2HB       LYS  44  12.100   2.906   1.248
  246   2HB   LYS  44          1HB       LYS  44  11.922   4.661   1.245
  247   1HG   LYS  44          2HG       LYS  44  12.574   4.846   3.515
  248   2HG   LYS  44          1HG       LYS  44  12.322   3.126   3.813
  249   1HD   LYS  44          2HD       LYS  44  14.313   3.904   1.723
  250   2HD   LYS  44          1HD       LYS  44  14.766   4.112   3.416
  251   1HE   LYS  44          2HE       LYS  44  13.569   1.594   3.343
  252   2HE   LYS  44          1HE       LYS  44  14.521   1.659   1.860
  253   1HZ   LYS  44          1HZ       LYS  44  16.405   2.455   3.257
  254   2HZ   LYS  44          3HZ       LYS  44  15.473   2.112   4.631
  255   3HZ   LYS  44          2HZ       LYS  44  15.921   0.858   3.577
  256    H    ARG  45           H        ARG  45   8.777   1.959   1.062
  257    HA   ARG  45           HA       ARG  45   7.975  -0.199   1.585
  258   1HB   ARG  45          2HB       ARG  45  10.668  -0.241   0.962
  259   2HB   ARG  45          1HB       ARG  45  10.609  -1.140   2.477
  260   1HG   ARG  45          2HG       ARG  45   8.392  -2.003   0.931
  261   2HG   ARG  45          1HG       ARG  45   9.789  -1.994  -0.145
  262   1HD   ARG  45          2HD       ARG  45  10.812  -3.065   2.199
  263   2HD   ARG  45          1HD       ARG  45   9.194  -3.761   2.113
  264    HE   ARG  45           HE       ARG  45  10.069  -4.203  -0.413
  265   1HH1  ARG  45           HH2      ARG  45  12.540  -3.851   1.748
  266   2HH1  ARG  45           HH2      ARG  45  13.125  -5.479   1.654
  267   1HH2  ARG  45           HH1      ARG  45  10.401  -6.634  -0.155
  268   2HH2  ARG  45           HH1      ARG  45  11.915  -7.054   0.574
  269    H    ARG  46           H        ARG  46   7.287   1.299   3.685
  270    HA   ARG  46           HA       ARG  46   7.977  -0.434   6.012
  271   1HB   ARG  46          2HB       ARG  46   8.650   2.349   5.687
  272   2HB   ARG  46          1HB       ARG  46   7.497   2.174   7.010
  273   1HG   ARG  46          2HG       ARG  46   9.228   1.527   8.301
  274   2HG   ARG  46          1HG       ARG  46   9.279   0.043   7.349
  275   1HD   ARG  46          2HD       ARG  46  10.845   1.058   5.777
  276   2HD   ARG  46          1HD       ARG  46  10.736   2.600   6.624
  277    HE   ARG  46           HE       ARG  46  12.026   1.655   8.433
  278   1HH1  ARG  46           HH2      ARG  46  10.881  -1.161   8.149
  279   2HH1  ARG  46           HH2      ARG  46  12.277  -2.035   7.616
  280   1HH2  ARG  46           HH1      ARG  46  14.055   0.812   6.746
  281   2HH2  ARG  46           HH1      ARG  46  14.075  -0.918   6.821
  282    H    TYR  47           H        TYR  47   6.183  -1.039   7.164
  283    HA   TYR  47           HA       TYR  47   3.581   0.149   6.336
  284   1HB   TYR  47          2HB       TYR  47   3.161  -2.043   8.096
  285   2HB   TYR  47          1HB       TYR  47   2.851  -1.992   6.361
  286    HD1  TYR  47           HD2      TYR  47   4.956  -2.308   4.827
  287    HD2  TYR  47           HD1      TYR  47   4.733  -3.540   8.932
  288    HE1  TYR  47           HE2      TYR  47   6.813  -3.912   4.441
  289    HE2  TYR  47           HE1      TYR  47   6.593  -5.144   8.552
  290    HH   TYR  47           HH       TYR  47   7.485  -6.406   6.231
  291    H    ASN  48           H        ASN  48   5.590   1.268   8.289
  292    HA   ASN  48           HA       ASN  48   3.948   1.137  10.749
  293   1HB   ASN  48          2HB       ASN  48   6.766   2.130  10.229
  294   2HB   ASN  48          1HB       ASN  48   5.933   2.374  11.765
  295   1HD2  ASN  48           HD2      ASN  48   6.846  -1.503  10.700
  296   2HD2  ASN  48           HD2      ASN  48   6.493  -0.378   9.479
  297    H    ILE  49           H        ILE  49   5.522   3.353   8.516
  298    HA   ILE  49           HA       ILE  49   4.657   5.822   9.435
  299    HB   ILE  49           HB       ILE  49   5.754   6.342   7.523
  300   1HG1  ILE  49          2HG1      ILE  49   3.324   6.897   6.938
  301   2HG1  ILE  49          1HG1      ILE  49   4.448   6.761   5.586
  302   1HG2  ILE  49          2HG2      ILE  49   5.005   3.556   6.650
  303   2HG2  ILE  49          1HG2      ILE  49   5.809   4.674   5.548
  304   3HG2  ILE  49          3HG2      ILE  49   6.599   4.195   7.050
  305   1HD1  ILE  49           HD1      ILE  49   3.359   4.166   6.182
  306   2HD1  ILE  49           HD1      ILE  49   2.040   5.318   5.980
  307   3HD1  ILE  49           HD1      ILE  49   3.224   5.099   4.692
  308    H    ARG  50           H        ARG  50   2.770   3.327   7.789
  309    HA   ARG  50           HA       ARG  50   0.411   4.822   7.286
  310   1HB   ARG  50          2HB       ARG  50   1.170   2.095   7.219
  311   2HB   ARG  50          1HB       ARG  50  -0.253   2.182   8.258
  312   1HG   ARG  50          2HG       ARG  50  -1.387   2.113   6.280
  313   2HG   ARG  50          1HG       ARG  50  -1.015   3.838   6.237
  314   1HD   ARG  50          2HD       ARG  50   0.752   3.557   4.731
  315   2HD   ARG  50          1HD       ARG  50   0.969   1.858   5.152
  316    HE   ARG  50           HE       ARG  50  -0.635   2.752   3.016
  317   1HH1  ARG  50           HH1      ARG  50  -3.083   2.351   4.287
  318   2HH1  ARG  50           HH1      ARG  50  -3.342   0.639   4.311
  319   1HH2  ARG  50           HH2      ARG  50  -0.017  -0.141   3.709
  320   2HH2  ARG  50           HH2      ARG  50  -1.607  -0.772   3.985
  321    H    SER  51           H        SER  51   1.267   2.901  10.177
  322    HA   SER  51           HA       SER  51  -1.007   3.711  11.718
  323   1HB   SER  51          2HB       SER  51   0.818   1.841  12.134
  324   2HB   SER  51          1HB       SER  51   1.640   3.129  13.010
  325    HG   SER  51           HG       SER  51  -0.691   3.371  13.903
  326    H    HIS  52           H        HIS  52   1.927   5.314  10.838
  327    HA   HIS  52           HA       HIS  52   2.041   7.181  13.023
  328   1HB   HIS  52          2HB       HIS  52   4.025   7.503  11.959
  329   2HB   HIS  52          1HB       HIS  52   3.424   6.751  10.487
  330    HD1  HIS  52           HD1      HIS  52   4.619   9.910  11.675
  331    HD2  HIS  52           HD2      HIS  52   1.630   8.755   9.024
  332    HE1  HIS  52           HE1      HIS  52   4.011  11.973  10.337
  333    H    ILE  53           H        ILE  53   0.458   7.266   9.843
  334    HA   ILE  53           HA       ILE  53  -0.540   9.951  10.122
  335    HB   ILE  53           HB       ILE  53  -1.883   7.669   8.624
  336   1HG1  ILE  53          2HG1      ILE  53   0.414   9.467   7.804
  337   2HG1  ILE  53          1HG1      ILE  53   0.407   7.703   7.871
  338   1HG2  ILE  53          3HG2      ILE  53  -2.514  10.393   9.003
  339   2HG2  ILE  53          2HG2      ILE  53  -1.914  10.253   7.352
  340   3HG2  ILE  53          1HG2      ILE  53  -3.277   9.266   7.883
  341   1HD1  ILE  53           HD1      ILE  53  -1.487   7.787   6.153
  342   2HD1  ILE  53           HD1      ILE  53  -1.091   9.493   5.948
  343   3HD1  ILE  53           HD1      ILE  53   0.108   8.258   5.568
  344    H    GLN  54           H        GLN  54  -2.167   6.813  10.577
  345    HA   GLN  54           HA       GLN  54  -4.605   7.562  11.578
  346   1HB   GLN  54          2HB       GLN  54  -2.895   5.261  11.872
  347   2HB   GLN  54          1HB       GLN  54  -3.694   5.597  13.409
  348   1HG   GLN  54          2HG       GLN  54  -5.638   4.796  12.614
  349   2HG   GLN  54          1HG       GLN  54  -5.582   5.926  11.261
  350   1HE2  GLN  54          2HE2      GLN  54  -3.593   3.444   9.304
  351   2HE2  GLN  54          1HE2      GLN  54  -3.337   5.032   9.844
  352    H    THR  55           H        THR  55  -1.503   7.979  13.179
  353    HA   THR  55           HA       THR  55  -2.756   8.701  15.712
  354    HB   THR  55           HB       THR  55   0.065   8.979  14.654
  355    HG1  THR  55           HG1      THR  55  -0.075   6.978  15.310
  356   1HG2  THR  55          1HG2      THR  55  -1.159   9.916  17.248
  357   2HG2  THR  55          3HG2      THR  55   0.560   9.543  17.116
  358   3HG2  THR  55          2HG2      THR  55  -0.143  10.823  16.127
  359    H    HIS  56           H        HIS  56  -1.098  10.516  13.128
  360    HA   HIS  56           HA       HIS  56  -2.237  12.972  14.272
  361   1HB   HIS  56          2HB       HIS  56  -0.547  14.106  13.272
  362   2HB   HIS  56          1HB       HIS  56   0.218  12.540  13.365
  363    HD1  HIS  56           HD1      HIS  56  -1.569  14.782  10.865
  364    HD2  HIS  56           HD2      HIS  56   0.976  11.501  10.945
  365    HE1  HIS  56           HE1      HIS  56  -0.551  14.588   8.546
  366    H    LEU  57           H        LEU  57  -3.743  10.823  12.841
  367    HA   LEU  57           HA       LEU  57  -5.189  12.650  11.013
  368   1HB   LEU  57          2HB       LEU  57  -3.884  10.138  10.265
  369   2HB   LEU  57          1HB       LEU  57  -5.596  10.170   9.853
  370    HG   LEU  57           HG       LEU  57  -4.199  11.098   8.028
  371   1HD1  LEU  57           HD1      LEU  57  -6.546  11.942   8.605
  372   2HD1  LEU  57           HD1      LEU  57  -5.752  13.323   9.362
  373   3HD1  LEU  57           HD1      LEU  57  -5.548  13.026   7.636
  374   1HD2  LEU  57           HD2      LEU  57  -2.694  12.147  10.069
  375   2HD2  LEU  57           HD2      LEU  57  -2.592  12.674   8.391
  376   3HD2  LEU  57           HD2      LEU  57  -3.596  13.565   9.537
  377    H    GLU  58           H        GLU  58  -5.228  10.285  13.526
  378    HA   GLU  58           HA       GLU  58  -8.193  10.107  13.274
  379   1HB   GLU  58          2HB       GLU  58  -6.914   7.932  13.134
  380   2HB   GLU  58          1HB       GLU  58  -6.382   8.215  14.791
  381   1HG   GLU  58          2HG       GLU  58  -8.540   7.982  15.667
  382   2HG   GLU  58          1HG       GLU  58  -9.310   8.333  14.119
  383    H    ASP  59           H        ASP  59  -7.941  12.334  14.379
  384    HA   ASP  59           HA       ASP  59  -7.888  11.887  17.334
  385   1HB   ASP  59          2HB       ASP  59  -5.848  13.131  16.370
  386   2HB   ASP  59          1HB       ASP  59  -6.965  14.455  16.038
  387    H    ARG  60           H        ARG  60 -10.246  11.744  15.888
  388    HA   ARG  60           HA       ARG  60 -12.424  12.624  15.968
  389   1HB   ARG  60          2HB       ARG  60 -11.075  13.746  18.206
  390   2HB   ARG  60          1HB       ARG  60 -11.987  15.050  17.445
  391   1HG   ARG  60          2HG       ARG  60 -13.822  13.046  17.343
  392   2HG   ARG  60          1HG       ARG  60 -12.965  12.619  18.824
  393   1HD   ARG  60          2HD       ARG  60 -14.140  14.207  19.901
  394   2HD   ARG  60          1HD       ARG  60 -13.321  15.419  18.915
  395    HE   ARG  60           HE       ARG  60 -15.921  14.150  18.147
  396   1HH1  ARG  60           HH1      ARG  60 -15.182  15.345  15.780
  397   2HH1  ARG  60           HH1      ARG  60 -15.508  17.038  15.945
  398   1HH2  ARG  60           HH2      ARG  60 -15.680  16.939  19.407
  399   2HH2  ARG  60           HH2      ARG  60 -15.788  17.941  17.997
   
  No H/Q in entry =         399
  Start of MODEL   31
    1   1H    THR  14          1H        THR  14 -15.117   4.562  14.823
    2   2H    THR  14          3H        THR  14 -16.081   3.584  15.819
    3   3H    THR  14          2H        THR  14 -16.360   5.259  15.747
    4    HA   THR  14           HA       THR  14 -14.724   5.753  17.177
    5    HB   THR  14           HB       THR  14 -14.569   4.146  18.917
    6    HG1  THR  14           HG1      THR  14 -14.205   2.124  18.505
    7   1HG2  THR  14          1HG2      THR  14 -16.948   4.816  17.997
    8   2HG2  THR  14          3HG2      THR  14 -17.033   3.109  17.561
    9   3HG2  THR  14          2HG2      THR  14 -16.799   3.578  19.245
   10    H    LEU  15           H        LEU  15 -13.858   2.756  15.447
   11    HA   LEU  15           HA       LEU  15 -10.990   3.327  15.879
   12   1HB   LEU  15          2HB       LEU  15 -12.388   1.054  14.435
   13   2HB   LEU  15          1HB       LEU  15 -10.646   1.166  14.694
   14    HG   LEU  15           HG       LEU  15 -12.793   0.968  16.824
   15   1HD1  LEU  15           HD1      LEU  15 -12.093  -1.137  15.651
   16   2HD1  LEU  15           HD1      LEU  15 -10.439  -0.833  16.180
   17   3HD1  LEU  15           HD1      LEU  15 -11.705  -1.136  17.371
   18   1HD2  LEU  15           HD2      LEU  15  -9.925   1.807  16.913
   19   2HD2  LEU  15           HD2      LEU  15 -11.279   2.343  17.907
   20   3HD2  LEU  15           HD2      LEU  15 -10.519   0.782  18.219
   21    HA   PRO  16           HA       PRO  16 -10.587   5.301  11.956
   22   1HB   PRO  16          2HB       PRO  16  -7.852   5.129  11.761
   23   2HB   PRO  16          1HB       PRO  16  -8.685   6.282  12.818
   24   1HG   PRO  16          2HG       PRO  16  -7.234   3.780  13.545
   25   2HG   PRO  16          1HG       PRO  16  -7.527   5.231  14.518
   26   1HD   PRO  16          2HD       PRO  16  -8.940   2.782  14.713
   27   2HD   PRO  16          1HD       PRO  16  -9.417   4.328  15.448
   28    H    ARG  17           H        ARG  17 -10.264   4.711   9.755
   29    HA   ARG  17           HA       ARG  17  -8.751   2.591   8.736
   30   1HB   ARG  17          2HB       ARG  17 -10.937   1.615  10.278
   31   2HB   ARG  17          1HB       ARG  17 -11.306   1.292   8.583
   32   1HG   ARG  17          2HG       ARG  17  -8.652   0.616   9.878
   33   2HG   ARG  17          1HG       ARG  17  -9.979  -0.534   9.710
   34   1HD   ARG  17          2HD       ARG  17  -8.562   0.905   7.449
   35   2HD   ARG  17          1HD       ARG  17  -8.422  -0.808   7.844
   36    HE   ARG  17           HE       ARG  17 -10.978   0.438   6.911
   37   1HH1  ARG  17           HH2      ARG  17 -10.448  -2.433   8.151
   38   2HH1  ARG  17           HH2      ARG  17 -10.578  -3.378   6.706
   39   1HH2  ARG  17           HH1      ARG  17 -10.392  -0.643   4.583
   40   2HH2  ARG  17           HH1      ARG  17 -10.546  -2.364   4.685
   41    H    GLY  18           H        GLY  18  -8.873   4.559   7.300
   42   1HA   GLY  18          2HA       GLY  18 -10.116   4.110   4.877
   43   2HA   GLY  18          1HA       GLY  18 -11.327   5.009   5.791
   44    H    SER  19           H        SER  19  -9.274   6.535   7.280
   45    HA   SER  19           HA       SER  19  -8.683   8.500   5.143
   46   1HB   SER  19          2HB       SER  19  -9.820   8.924   7.532
   47   2HB   SER  19          1HB       SER  19  -8.134   9.088   8.016
   48    HG   SER  19           HG       SER  19  -9.709  10.703   6.427
   49    H    ILE  20           H        ILE  20  -7.142   6.095   6.975
   50    HA   ILE  20           HA       ILE  20  -4.552   7.210   7.375
   51    HB   ILE  20           HB       ILE  20  -4.996   4.325   6.621
   52   1HG1  ILE  20          2HG1      ILE  20  -6.799   4.713   8.138
   53   2HG1  ILE  20          1HG1      ILE  20  -5.504   4.026   9.118
   54   1HG2  ILE  20          3HG2      ILE  20  -2.699   5.205   7.107
   55   2HG2  ILE  20          2HG2      ILE  20  -3.253   5.641   8.725
   56   3HG2  ILE  20          1HG2      ILE  20  -3.215   3.948   8.231
   57   1HD1  ILE  20           HD1      ILE  20  -6.029   6.996   8.811
   58   2HD1  ILE  20           HD1      ILE  20  -6.563   6.023  10.182
   59   3HD1  ILE  20           HD1      ILE  20  -4.840   6.244   9.876
   60    H    ASP  21           H        ASP  21  -5.654   5.074   4.750
   61    HA   ASP  21           HA       ASP  21  -3.309   5.546   3.132
   62   1HB   ASP  21          2HB       ASP  21  -5.891   4.124   2.839
   63   2HB   ASP  21          1HB       ASP  21  -5.173   4.698   1.334
   64    H    LYS  22           H        LYS  22  -5.886   7.548   3.886
   65    HA   LYS  22           HA       LYS  22  -6.392   8.798   1.350
   66   1HB   LYS  22          2HB       LYS  22  -7.843   9.060   3.372
   67   2HB   LYS  22          1HB       LYS  22  -6.576  10.040   4.111
   68   1HG   LYS  22          2HG       LYS  22  -6.698  11.533   2.053
   69   2HG   LYS  22          1HG       LYS  22  -8.159  10.654   1.607
   70   1HD   LYS  22          2HD       LYS  22  -9.059  11.219   3.922
   71   2HD   LYS  22          1HD       LYS  22  -7.693  12.323   4.086
   72   1HE   LYS  22          2HE       LYS  22 -10.012  12.464   2.173
   73   2HE   LYS  22          1HE       LYS  22  -9.373  13.720   3.233
   74   1HZ   LYS  22          3HZ       LYS  22  -7.283  13.549   1.830
   75   2HZ   LYS  22          2HZ       LYS  22  -8.229  12.690   0.709
   76   3HZ   LYS  22          1HZ       LYS  22  -8.630  14.291   1.114
   77    H    TYR  23           H        TYR  23  -3.728   8.989   3.568
   78    HA   TYR  23           HA       TYR  23  -2.556  11.108   1.837
   79   1HB   TYR  23          2HB       TYR  23  -2.681  11.090   4.856
   80   2HB   TYR  23          1HB       TYR  23  -1.516  12.068   3.963
   81    HD1  TYR  23           HD2      TYR  23  -2.630  13.393   1.885
   82    HD2  TYR  23           HD1      TYR  23  -4.681  12.125   5.440
   83    HE1  TYR  23           HE2      TYR  23  -4.367  15.118   1.497
   84    HE2  TYR  23           HE1      TYR  23  -6.419  13.849   5.052
   85    HH   TYR  23           HH       TYR  23  -6.097  16.235   2.470
   86    H    VAL  24           H        VAL  24  -2.001   8.386   1.572
   87    HA   VAL  24           HA       VAL  24   0.770   8.253   2.692
   88    HB   VAL  24           HB       VAL  24  -1.094   5.916   2.180
   89   1HG1  VAL  24          1HG1      VAL  24   1.756   6.136   2.513
   90   2HG1  VAL  24          3HG1      VAL  24   1.074   5.279   3.895
   91   3HG1  VAL  24          2HG1      VAL  24   0.787   4.685   2.261
   92   1HG2  VAL  24          1HG2      VAL  24  -1.488   7.581   4.188
   93   2HG2  VAL  24          3HG2      VAL  24  -1.535   5.841   4.473
   94   3HG2  VAL  24          2HG2      VAL  24  -0.088   6.763   4.881
   95    H    LYS  25           H        LYS  25   2.014   8.756   0.932
   96    HA   LYS  25           HA       LYS  25   1.242   7.841  -1.757
   97   1HB   LYS  25          2HB       LYS  25   2.667  10.017  -0.807
   98   2HB   LYS  25          1HB       LYS  25   3.935   8.968  -1.445
   99   1HG   LYS  25          2HG       LYS  25   2.457   8.731  -3.535
  100   2HG   LYS  25          1HG       LYS  25   1.544  10.101  -2.903
  101   1HD   LYS  25          2HD       LYS  25   3.401  11.558  -3.050
  102   2HD   LYS  25          1HD       LYS  25   4.545  10.222  -3.188
  103   1HE   LYS  25          2HE       LYS  25   4.213  10.003  -5.427
  104   2HE   LYS  25          1HE       LYS  25   2.476  10.279  -5.291
  105   1HZ   LYS  25          1HZ       LYS  25   4.281  12.530  -4.794
  106   2HZ   LYS  25          3HZ       LYS  25   4.051  12.036  -6.400
  107   3HZ   LYS  25          2HZ       LYS  25   2.719  12.520  -5.463
  108    H    GLU  26           H        GLU  26   1.436   5.547  -1.559
  109    HA   GLU  26           HA       GLU  26   4.044   4.432  -0.737
  110   1HB   GLU  26          2HB       GLU  26   2.053   3.251   0.009
  111   2HB   GLU  26          1HB       GLU  26   1.466   3.122  -1.650
  112   1HG   GLU  26          2HG       GLU  26   3.699   1.900  -2.131
  113   2HG   GLU  26          1HG       GLU  26   3.820   1.728  -0.379
  114    H    MET  27           H        MET  27   5.640   4.275  -2.228
  115    HA   MET  27           HA       MET  27   4.907   4.166  -5.105
  116   1HB   MET  27          2HB       MET  27   7.625   4.531  -3.804
  117   2HB   MET  27          1HB       MET  27   7.263   4.699  -5.522
  118   1HG   MET  27          2HG       MET  27   5.743   6.333  -3.508
  119   2HG   MET  27          1HG       MET  27   7.349   6.847  -4.026
  120   1HE   MET  27          3HE       MET  27   3.949   6.277  -4.415
  121   2HE   MET  27          2HE       MET  27   3.445   7.490  -5.589
  122   3HE   MET  27          1HE       MET  27   3.672   5.819  -6.101
  123    HA   PRO  28           HA       PRO  28   5.789  -0.127  -5.289
  124   1HB   PRO  28          2HB       PRO  28   6.316  -0.295  -7.988
  125   2HB   PRO  28          1HB       PRO  28   4.686  -0.165  -7.305
  126   1HG   PRO  28          2HG       PRO  28   6.330   1.933  -8.659
  127   2HG   PRO  28          1HG       PRO  28   4.568   1.756  -8.593
  128   1HD   PRO  28          2HD       PRO  28   6.060   3.560  -7.047
  129   2HD   PRO  28          1HD       PRO  28   4.403   3.032  -6.685
  130    H    ASP  29           H        ASP  29   8.081   2.307  -5.928
  131    HA   ASP  29           HA       ASP  29  10.284   0.435  -6.487
  132   1HB   ASP  29          2HB       ASP  29  11.662   2.381  -6.727
  133   2HB   ASP  29          1HB       ASP  29  10.120   2.784  -7.483
  134    H    LYS  30           H        LYS  30   8.578   0.819  -3.867
  135    HA   LYS  30           HA       LYS  30   9.035   0.224  -1.651
  136   1HB   LYS  30          2HB       LYS  30  11.950   0.621  -2.298
  137   2HB   LYS  30          1HB       LYS  30  11.269  -0.299  -0.962
  138   1HG   LYS  30          2HG       LYS  30  10.730  -2.096  -2.297
  139   2HG   LYS  30          1HG       LYS  30  10.449  -1.090  -3.718
  140   1HD   LYS  30          2HD       LYS  30  12.652  -1.129  -4.352
  141   2HD   LYS  30          1HD       LYS  30  13.237  -1.172  -2.688
  142   1HE   LYS  30          2HE       LYS  30  13.712  -3.314  -3.755
  143   2HE   LYS  30          1HE       LYS  30  12.473  -3.542  -2.521
  144   1HZ   LYS  30          3HZ       LYS  30  11.812  -3.043  -5.363
  145   2HZ   LYS  30          2HZ       LYS  30  12.044  -4.609  -4.745
  146   3HZ   LYS  30          1HZ       LYS  30  10.794  -3.630  -4.140
  147    H    THR  31           H        THR  31   8.106   2.632  -2.016
  148    HA   THR  31           HA       THR  31   9.820   4.346  -0.306
  149    HB   THR  31           HB       THR  31   8.328   5.676  -2.499
  150    HG1  THR  31           HG1      THR  31   9.454   3.914  -3.478
  151   1HG2  THR  31          2HG2      THR  31  10.578   6.185  -0.674
  152   2HG2  THR  31          1HG2      THR  31  10.848   6.749  -2.322
  153   3HG2  THR  31          3HG2      THR  31   9.450   7.322  -1.411
  154    H    PHE  32           H        PHE  32   8.443   6.380   0.336
  155    HA   PHE  32           HA       PHE  32   5.553   5.968   0.437
  156   1HB   PHE  32          2HB       PHE  32   7.316   5.194   2.695
  157   2HB   PHE  32          1HB       PHE  32   5.916   6.176   3.124
  158    HD1  PHE  32           HD2      PHE  32   3.614   5.401   2.552
  159    HD2  PHE  32           HD1      PHE  32   7.069   2.923   1.942
  160    HE1  PHE  32           HE2      PHE  32   2.150   3.410   2.345
  161    HE2  PHE  32           HE1      PHE  32   5.605   0.933   1.735
  162    HZ   PHE  32           HZ       PHE  32   3.145   1.176   1.936
  163    H    GLU  33           H        GLU  33   4.503   7.929   1.055
  164    HA   GLU  33           HA       GLU  33   6.132  10.122   2.142
  165   1HB   GLU  33          2HB       GLU  33   6.474  10.011  -0.417
  166   2HB   GLU  33          1HB       GLU  33   4.806  10.575  -0.528
  167   1HG   GLU  33          2HG       GLU  33   5.332  12.670   0.191
  168   2HG   GLU  33          1HG       GLU  33   6.495  12.075   1.377
  169    H    CYS  34           H        CYS  34   4.600  10.272   3.818
  170    HA   CYS  34           HA       CYS  34   1.791  10.246   3.588
  171   1HB   CYS  34          2HB       CYS  34   3.169  10.343   5.721
  172   2HB   CYS  34          1HB       CYS  34   3.373  12.067   5.426
  173    H    LEU  35           H        LEU  35   0.790  11.425   1.971
  174    HA   LEU  35           HA       LEU  35   1.782  14.086   1.243
  175   1HB   LEU  35          2HB       LEU  35  -0.311  14.024  -0.264
  176   2HB   LEU  35          1HB       LEU  35   0.956  12.843  -0.594
  177    HG   LEU  35           HG       LEU  35  -0.952  11.897   1.403
  178   1HD1  LEU  35           HD1      LEU  35  -2.169  13.428  -0.505
  179   2HD1  LEU  35           HD1      LEU  35  -2.161  11.852  -1.296
  180   3HD1  LEU  35           HD1      LEU  35  -2.933  12.044   0.277
  181   1HD2  LEU  35           HD2      LEU  35   0.234  10.934  -1.201
  182   2HD2  LEU  35           HD2      LEU  35   0.519  10.318   0.427
  183   3HD2  LEU  35           HD2      LEU  35  -1.022  10.012  -0.375
  184    H    PHE  36           H        PHE  36   0.266  13.251   3.915
  185    HA   PHE  36           HA       PHE  36  -2.135  14.768   4.033
  186   1HB   PHE  36          2HB       PHE  36  -1.424  13.218   5.818
  187   2HB   PHE  36          1HB       PHE  36  -0.078  14.287   6.213
  188    HD1  PHE  36           HD2      PHE  36  -0.547  16.616   7.059
  189    HD2  PHE  36           HD1      PHE  36  -3.628  13.662   6.595
  190    HE1  PHE  36           HE2      PHE  36  -2.037  17.937   8.537
  191    HE2  PHE  36           HE1      PHE  36  -5.116  14.982   8.074
  192    HZ   PHE  36           HZ       PHE  36  -4.322  17.120   9.046
  193    HA   PRO  37           HA       PRO  37  -0.511  18.860   3.767
  194   1HB   PRO  37          2HB       PRO  37  -2.736  20.188   4.703
  195   2HB   PRO  37          1HB       PRO  37  -2.604  19.531   3.063
  196   1HG   PRO  37          2HG       PRO  37  -4.147  18.475   5.390
  197   2HG   PRO  37          1HG       PRO  37  -4.464  18.289   3.657
  198   1HD   PRO  37          2HD       PRO  37  -3.315  16.331   5.327
  199   2HD   PRO  37          1HD       PRO  37  -3.282  16.322   3.552
  200    H    GLY  38           H        GLY  38   1.062  19.196   5.278
  201   1HA   GLY  38          2HA       GLY  38   1.452  20.616   7.331
  202   2HA   GLY  38          1HA       GLY  38   0.202  19.638   8.108
  203    H    CYS  39           H        CYS  39   1.351  17.311   6.423
  204    HA   CYS  39           HA       CYS  39   3.138  16.324   8.514
  205   1HB   CYS  39          2HB       CYS  39   1.455  14.958   7.112
  206   2HB   CYS  39          1HB       CYS  39   2.666  15.024   5.832
  207    H    THR  40           H        THR  40   5.302  15.322   7.814
  208    HA   THR  40           HA       THR  40   6.602  16.472   5.469
  209    HB   THR  40           HB       THR  40   7.924  17.230   8.046
  210    HG1  THR  40           HG1      THR  40   6.654  19.324   7.466
  211   1HG2  THR  40          3HG2      THR  40   8.128  17.801   5.198
  212   2HG2  THR  40          2HG2      THR  40   8.057  19.280   6.156
  213   3HG2  THR  40          1HG2      THR  40   9.306  18.078   6.481
  214    H    LYS  41           H        LYS  41   6.094  13.825   6.758
  215    HA   LYS  41           HA       LYS  41   8.951  12.980   7.073
  216   1HB   LYS  41          2HB       LYS  41   7.099  12.793   9.030
  217   2HB   LYS  41          1HB       LYS  41   6.802  11.265   8.200
  218   1HG   LYS  41          2HG       LYS  41   8.497  10.554   9.575
  219   2HG   LYS  41          1HG       LYS  41   9.494  11.197   8.269
  220   1HD   LYS  41          2HD       LYS  41  10.354  12.122  10.312
  221   2HD   LYS  41          1HD       LYS  41   9.481  13.418   9.497
  222   1HE   LYS  41          2HE       LYS  41   8.308  13.675  11.408
  223   2HE   LYS  41          1HE       LYS  41   7.525  12.141  11.023
  224   1HZ   LYS  41          1HZ       LYS  41   9.637  11.146  12.104
  225   2HZ   LYS  41          3HZ       LYS  41   9.782  12.670  12.833
  226   3HZ   LYS  41          2HZ       LYS  41   8.389  11.734  13.095
  227    H    THR  42           H        THR  42   9.621  11.258   5.815
  228    HA   THR  42           HA       THR  42   7.543   9.915   4.130
  229    HB   THR  42           HB       THR  42   8.950  10.011   2.231
  230    HG1  THR  42           HG1      THR  42  10.946   9.596   2.834
  231   1HG2  THR  42          1HG2      THR  42   7.876  12.169   2.777
  232   2HG2  THR  42          3HG2      THR  42   9.305  12.637   3.697
  233   3HG2  THR  42          2HG2      THR  42   9.416  12.403   1.952
  234    H    PHE  43           H        PHE  43   8.045   7.690   3.580
  235    HA   PHE  43           HA       PHE  43  10.295   6.503   5.140
  236   1HB   PHE  43          2HB       PHE  43   7.654   5.081   4.974
  237   2HB   PHE  43          1HB       PHE  43   8.934   4.915   6.177
  238    HD1  PHE  43           HD1      PHE  43   6.483   7.424   4.851
  239    HD2  PHE  43           HD2      PHE  43   8.747   6.035   8.228
  240    HE1  PHE  43           HE1      PHE  43   5.339   9.080   6.297
  241    HE2  PHE  43           HE2      PHE  43   7.600   7.692   9.675
  242    HZ   PHE  43           HZ       PHE  43   5.896   9.215   8.707
  243    H    LYS  44           H        LYS  44  10.195   3.930   4.443
  244    HA   LYS  44           HA       LYS  44   9.828   3.858   1.484
  245   1HB   LYS  44          2HB       LYS  44  12.260   2.781   2.937
  246   2HB   LYS  44          1HB       LYS  44  11.991   2.790   1.194
  247   1HG   LYS  44          2HG       LYS  44  13.225   4.720   1.326
  248   2HG   LYS  44          1HG       LYS  44  11.648   5.417   1.698
  249   1HD   LYS  44          2HD       LYS  44  12.103   5.103   4.121
  250   2HD   LYS  44          1HD       LYS  44  13.705   4.482   3.721
  251   1HE   LYS  44          2HE       LYS  44  13.078   7.059   2.445
  252   2HE   LYS  44          1HE       LYS  44  13.131   7.129   4.207
  253   1HZ   LYS  44          3HZ       LYS  44  15.296   5.860   3.990
  254   2HZ   LYS  44          2HZ       LYS  44  15.256   6.266   2.340
  255   3HZ   LYS  44          1HZ       LYS  44  15.318   7.489   3.518
  256    H    ARG  45           H        ARG  45   8.720   2.080   0.871
  257    HA   ARG  45           HA       ARG  45   7.435   0.117   1.196
  258   1HB   ARG  45          2HB       ARG  45   8.846  -1.840   1.317
  259   2HB   ARG  45          1HB       ARG  45   9.699  -0.619   0.372
  260   1HG   ARG  45          2HG       ARG  45  11.005   0.026   2.349
  261   2HG   ARG  45          1HG       ARG  45  10.133  -1.154   3.326
  262   1HD   ARG  45          2HD       ARG  45  12.236  -1.588   1.253
  263   2HD   ARG  45          1HD       ARG  45  11.974  -2.430   2.780
  264    HE   ARG  45           HE       ARG  45  10.149  -2.876   0.455
  265   1HH1  ARG  45           HH2      ARG  45  12.787  -4.035   2.255
  266   2HH1  ARG  45           HH2      ARG  45  12.215  -5.668   2.337
  267   1HH2  ARG  45           HH1      ARG  45   9.161  -4.953   0.859
  268   2HH2  ARG  45           HH1      ARG  45  10.162  -6.188   1.547
  269    H    ARG  46           H        ARG  46   7.349   1.810   3.522
  270    HA   ARG  46           HA       ARG  46   7.340  -0.245   5.696
  271   1HB   ARG  46          2HB       ARG  46   8.129   2.600   5.620
  272   2HB   ARG  46          1HB       ARG  46   7.129   2.150   7.002
  273   1HG   ARG  46          2HG       ARG  46   8.700   0.643   7.824
  274   2HG   ARG  46          1HG       ARG  46   9.432   0.386   6.240
  275   1HD   ARG  46          2HD       ARG  46  10.312   2.723   6.312
  276   2HD   ARG  46          1HD       ARG  46   9.670   2.881   7.947
  277    HE   ARG  46           HE       ARG  46  11.230   0.638   8.152
  278   1HH1  ARG  46           HH2      ARG  46  11.718   3.859   8.482
  279   2HH1  ARG  46           HH2      ARG  46  13.406   3.864   8.091
  280   1HH2  ARG  46           HH1      ARG  46  13.419   0.595   6.934
  281   2HH2  ARG  46           HH1      ARG  46  14.369   2.017   7.216
  282    H    TYR  47           H        TYR  47   5.341  -0.851   6.352
  283    HA   TYR  47           HA       TYR  47   3.017   0.825   5.565
  284   1HB   TYR  47          2HB       TYR  47   2.144  -1.531   6.898
  285   2HB   TYR  47          1HB       TYR  47   2.016  -1.164   5.179
  286    HD1  TYR  47           HD2      TYR  47   3.864  -1.817   3.630
  287    HD2  TYR  47           HD1      TYR  47   3.761  -3.073   7.733
  288    HE1  TYR  47           HE2      TYR  47   5.529  -3.590   3.124
  289    HE2  TYR  47           HE1      TYR  47   5.425  -4.848   7.232
  290    HH   TYR  47           HH       TYR  47   6.222  -5.783   4.078
  291    H    ASN  48           H        ASN  48   5.021   1.070   7.940
  292    HA   ASN  48           HA       ASN  48   3.091   0.920  10.163
  293   1HB   ASN  48          2HB       ASN  48   6.049   1.602  10.107
  294   2HB   ASN  48          1HB       ASN  48   5.067   1.535  11.572
  295   1HD2  ASN  48           HD2      ASN  48   6.055  -1.968   9.668
  296   2HD2  ASN  48           HD2      ASN  48   6.166  -0.500   8.823
  297    H    ILE  49           H        ILE  49   4.462   3.105   7.929
  298    HA   ILE  49           HA       ILE  49   4.213   5.529   9.456
  299    HB   ILE  49           HB       ILE  49   5.062   6.527   7.613
  300   1HG1  ILE  49          2HG1      ILE  49   2.719   6.686   6.709
  301   2HG1  ILE  49          1HG1      ILE  49   3.966   6.608   5.466
  302   1HG2  ILE  49          3HG2      ILE  49   6.163   4.297   7.438
  303   2HG2  ILE  49          2HG2      ILE  49   4.913   3.807   6.294
  304   3HG2  ILE  49          1HG2      ILE  49   6.014   5.118   5.885
  305   1HD1  ILE  49           HD1      ILE  49   3.219   3.939   6.141
  306   2HD1  ILE  49           HD1      ILE  49   1.747   4.861   5.838
  307   3HD1  ILE  49           HD1      ILE  49   3.005   4.777   4.605
  308    H    ARG  50           H        ARG  50   1.986   3.558   7.591
  309    HA   ARG  50           HA       ARG  50  -0.171   5.368   7.316
  310   1HB   ARG  50          2HB       ARG  50  -0.302   2.407   7.987
  311   2HB   ARG  50          1HB       ARG  50  -1.624   3.371   7.328
  312   1HG   ARG  50          2HG       ARG  50   0.090   3.954   5.436
  313   2HG   ARG  50          1HG       ARG  50   0.927   2.505   5.994
  314   1HD   ARG  50          2HD       ARG  50  -1.892   2.717   4.919
  315   2HD   ARG  50          1HD       ARG  50  -0.553   1.772   4.268
  316    HE   ARG  50           HE       ARG  50  -2.047   1.108   6.763
  317   1HH1  ARG  50           HH2      ARG  50  -1.019   0.012   3.781
  318   2HH1  ARG  50           HH2      ARG  50  -0.415  -1.511   4.341
  319   1HH2  ARG  50           HH1      ARG  50  -0.763  -0.714   7.698
  320   2HH2  ARG  50           HH1      ARG  50  -0.272  -1.923   6.559
  321    H    SER  51           H        SER  51   0.832   3.370  10.075
  322    HA   SER  51           HA       SER  51  -1.348   4.138  11.792
  323   1HB   SER  51          2HB       SER  51   0.074   2.178  12.281
  324   2HB   SER  51          1HB       SER  51   1.466   3.235  12.493
  325    HG   SER  51           HG       SER  51  -0.003   4.312  14.108
  326    H    HIS  52           H        HIS  52   1.893   5.424  11.185
  327    HA   HIS  52           HA       HIS  52   2.023   7.400  13.180
  328   1HB   HIS  52          2HB       HIS  52   3.978   7.649  12.034
  329   2HB   HIS  52          1HB       HIS  52   3.299   6.886  10.600
  330    HD1  HIS  52           HD1      HIS  52   4.542  10.066  11.773
  331    HD2  HIS  52           HD2      HIS  52   1.598   8.884   9.070
  332    HE1  HIS  52           HE1      HIS  52   3.964  12.116  10.401
  333    H    ILE  53           H        ILE  53   0.451   7.539  10.007
  334    HA   ILE  53           HA       ILE  53  -0.548  10.214  10.311
  335    HB   ILE  53           HB       ILE  53  -1.168   7.865   8.536
  336   1HG1  ILE  53          2HG1      ILE  53  -0.910  10.500   7.343
  337   2HG1  ILE  53          1HG1      ILE  53   0.457  10.135   8.389
  338   1HG2  ILE  53          2HG2      ILE  53  -3.364   8.978   9.225
  339   2HG2  ILE  53          1HG2      ILE  53  -2.759  10.427   8.422
  340   3HG2  ILE  53          3HG2      ILE  53  -3.017   8.950   7.499
  341   1HD1  ILE  53           HD1      ILE  53   0.100   7.751   7.057
  342   2HD1  ILE  53           HD1      ILE  53  -0.310   8.935   5.815
  343   3HD1  ILE  53           HD1      ILE  53   1.268   8.991   6.601
  344    H    GLN  54           H        GLN  54  -1.898   7.010  11.025
  345    HA   GLN  54           HA       GLN  54  -4.485   7.749  11.783
  346   1HB   GLN  54          2HB       GLN  54  -2.843   5.468  12.110
  347   2HB   GLN  54          1HB       GLN  54  -3.426   5.884  13.721
  348   1HG   GLN  54          2HG       GLN  54  -5.515   5.196  13.232
  349   2HG   GLN  54          1HG       GLN  54  -5.537   6.130  11.737
  350   1HE2  GLN  54          2HE2      GLN  54  -3.763   3.249  10.067
  351   2HE2  GLN  54          1HE2      GLN  54  -3.308   4.844  10.421
  352    H    THR  55           H        THR  55  -1.458   8.340  13.467
  353    HA   THR  55           HA       THR  55  -2.859   9.157  15.900
  354    HB   THR  55           HB       THR  55  -0.051  10.026  15.381
  355    HG1  THR  55           HG1      THR  55   0.183   8.030  14.594
  356   1HG2  THR  55          2HG2      THR  55  -1.818   9.501  17.612
  357   2HG2  THR  55          1HG2      THR  55  -0.325   8.577  17.775
  358   3HG2  THR  55          3HG2      THR  55  -0.262  10.331  17.598
  359    H    HIS  56           H        HIS  56  -1.095  10.832  13.292
  360    HA   HIS  56           HA       HIS  56  -2.250  13.352  14.274
  361   1HB   HIS  56          2HB       HIS  56  -0.501  14.411  13.318
  362   2HB   HIS  56          1HB       HIS  56   0.232  12.830  13.432
  363    HD1  HIS  56           HD1      HIS  56  -1.251  15.242  10.944
  364    HD2  HIS  56           HD2      HIS  56   0.776  11.609  10.955
  365    HE1  HIS  56           HE1      HIS  56  -0.173  15.009   8.655
  366    H    LEU  57           H        LEU  57  -3.740  11.152  12.931
  367    HA   LEU  57           HA       LEU  57  -5.083  12.871  10.924
  368   1HB   LEU  57          2HB       LEU  57  -3.548  10.955   9.974
  369   2HB   LEU  57          1HB       LEU  57  -4.904   9.922  10.428
  370    HG   LEU  57           HG       LEU  57  -6.407  11.532   9.164
  371   1HD1  LEU  57           HD1      LEU  57  -3.720  12.506   8.151
  372   2HD1  LEU  57           HD1      LEU  57  -5.291  12.985   7.508
  373   3HD1  LEU  57           HD1      LEU  57  -4.837  13.431   9.153
  374   1HD2  LEU  57           HD2      LEU  57  -5.095   9.329   8.305
  375   2HD2  LEU  57           HD2      LEU  57  -6.177  10.258   7.267
  376   3HD2  LEU  57           HD2      LEU  57  -4.435  10.517   7.181
  377    H    GLU  58           H        GLU  58  -5.251  10.474  13.471
  378    HA   GLU  58           HA       GLU  58  -7.819   9.433  13.209
  379   1HB   GLU  58          2HB       GLU  58  -5.954   9.862  15.364
  380   2HB   GLU  58          1HB       GLU  58  -7.589  10.216  15.923
  381   1HG   GLU  58          2HG       GLU  58  -8.317   8.053  15.605
  382   2HG   GLU  58          1HG       GLU  58  -7.206   7.765  14.266
  383    H    ASP  59           H        ASP  59  -7.195  12.323  15.234
  384    HA   ASP  59           HA       ASP  59  -9.975  13.147  15.022
  385   1HB   ASP  59          2HB       ASP  59  -7.607  13.948  16.518
  386   2HB   ASP  59          1HB       ASP  59  -8.508  15.346  15.928
  387    H    ARG  60           H        ARG  60  -6.903  14.246  13.597
  388    HA   ARG  60           HA       ARG  60  -8.526  15.867  11.674
  389   1HB   ARG  60          2HB       ARG  60  -6.837  16.984  13.420
  390   2HB   ARG  60          1HB       ARG  60  -5.659  16.541  12.183
  391   1HG   ARG  60          2HG       ARG  60  -6.854  17.791  10.497
  392   2HG   ARG  60          1HG       ARG  60  -8.201  18.082  11.597
  393   1HD   ARG  60          2HD       ARG  60  -6.640  20.042  11.374
  394   2HD   ARG  60          1HD       ARG  60  -6.814  19.459  13.028
  395    HE   ARG  60           HE       ARG  60  -4.454  18.851  11.294
  396   1HH1  ARG  60           HH1      ARG  60  -3.694  17.090  13.058
  397   2HH1  ARG  60           HH1      ARG  60  -3.266  17.872  14.542
  398   1HH2  ARG  60           HH2      ARG  60  -4.903  20.829  13.761
  399   2HH2  ARG  60           HH2      ARG  60  -3.950  19.991  14.941
   
  No H/Q in entry =         399
  Start of MODEL   32
    1   1H    THR  14          2H        THR  14 -11.271   6.134  12.444
    2   2H    THR  14          1H        THR  14 -12.221   6.184  13.852
    3   3H    THR  14          3H        THR  14 -10.535   6.047  13.974
    4    HA   THR  14           HA       THR  14 -10.591   3.865  12.966
    5    HB   THR  14           HB       THR  14 -12.485   3.046  14.827
    6    HG1  THR  14           HG1      THR  14 -11.699   4.624  16.558
    7   1HG2  THR  14          1HG2      THR  14  -9.999   2.471  14.498
    8   2HG2  THR  14          3HG2      THR  14  -9.667   3.849  15.549
    9   3HG2  THR  14          2HG2      THR  14 -10.604   2.484  16.156
   10    H    LEU  15           H        LEU  15 -13.935   4.985  13.629
   11    HA   LEU  15           HA       LEU  15 -15.230   2.973  12.112
   12   1HB   LEU  15          2HB       LEU  15 -15.969   5.455  13.390
   13   2HB   LEU  15          1HB       LEU  15 -16.775   5.307  11.828
   14    HG   LEU  15           HG       LEU  15 -17.602   3.079  12.441
   15   1HD1  LEU  15           HD1      LEU  15 -16.061   3.616  14.993
   16   2HD1  LEU  15           HD1      LEU  15 -17.278   2.349  14.845
   17   3HD1  LEU  15           HD1      LEU  15 -15.820   2.290  13.856
   18   1HD2  LEU  15           HD2      LEU  15 -18.627   5.403  13.281
   19   2HD2  LEU  15           HD2      LEU  15 -19.334   3.860  13.758
   20   3HD2  LEU  15           HD2      LEU  15 -18.252   4.711  14.860
   21    HA   PRO  16           HA       PRO  16 -15.013   5.879   8.367
   22   1HB   PRO  16          2HB       PRO  16 -13.567   8.190   8.631
   23   2HB   PRO  16          1HB       PRO  16 -15.292   8.066   9.015
   24   1HG   PRO  16          2HG       PRO  16 -12.968   8.259  10.868
   25   2HG   PRO  16          1HG       PRO  16 -14.655   8.732  11.130
   26   1HD   PRO  16          2HD       PRO  16 -13.409   6.367  12.081
   27   2HD   PRO  16          1HD       PRO  16 -15.150   6.720  12.095
   28    H    ARG  17           H        ARG  17 -13.453   5.820   6.653
   29    HA   ARG  17           HA       ARG  17 -10.607   5.514   7.389
   30   1HB   ARG  17          2HB       ARG  17 -12.253   3.281   6.948
   31   2HB   ARG  17          1HB       ARG  17 -11.345   3.487   5.449
   32   1HG   ARG  17          2HG       ARG  17  -9.915   2.152   6.758
   33   2HG   ARG  17          1HG       ARG  17  -9.280   3.780   7.002
   34   1HD   ARG  17          2HD       ARG  17 -11.387   3.270   8.904
   35   2HD   ARG  17          1HD       ARG  17 -10.189   1.978   8.986
   36    HE   ARG  17           HE       ARG  17  -9.648   4.859   9.494
   37   1HH1  ARG  17           HH2      ARG  17  -7.942   2.213   8.406
   38   2HH1  ARG  17           HH2      ARG  17  -6.806   2.171   9.713
   39   1HH2  ARG  17           HH1      ARG  17  -8.493   4.534  11.608
   40   2HH2  ARG  17           HH1      ARG  17  -7.118   3.484  11.526
   41    H    GLY  18           H        GLY  18 -11.420   7.722   6.158
   42   1HA   GLY  18          2HA       GLY  18 -10.667   7.275   3.299
   43   2HA   GLY  18          1HA       GLY  18 -11.945   8.410   3.738
   44    H    SER  19           H        SER  19  -9.311   8.222   5.938
   45    HA   SER  19           HA       SER  19  -8.222  10.757   4.811
   46   1HB   SER  19          2HB       SER  19  -8.079  10.017   7.726
   47   2HB   SER  19          1HB       SER  19  -7.916  11.609   6.990
   48    HG   SER  19           HG       SER  19 -10.224  10.036   7.384
   49    H    ILE  20           H        ILE  20  -7.353   7.991   6.886
   50    HA   ILE  20           HA       ILE  20  -4.530   8.357   6.688
   51    HB   ILE  20           HB       ILE  20  -5.756   5.620   6.903
   52   1HG1  ILE  20          2HG1      ILE  20  -7.218   6.852   8.334
   53   2HG1  ILE  20          1HG1      ILE  20  -5.992   6.168   9.398
   54   1HG2  ILE  20          3HG2      ILE  20  -3.212   6.857   7.393
   55   2HG2  ILE  20          2HG2      ILE  20  -3.845   6.232   8.915
   56   3HG2  ILE  20          1HG2      ILE  20  -3.649   5.154   7.533
   57   1HD1  ILE  20           HD1      ILE  20  -4.994   8.661   8.459
   58   2HD1  ILE  20           HD1      ILE  20  -6.649   8.927   8.997
   59   3HD1  ILE  20           HD1      ILE  20  -5.463   8.234  10.101
   60    H    ASP  21           H        ASP  21  -6.572   5.987   4.976
   61    HA   ASP  21           HA       ASP  21  -4.509   5.294   3.089
   62   1HB   ASP  21          2HB       ASP  21  -7.510   5.001   2.758
   63   2HB   ASP  21          1HB       ASP  21  -6.261   4.101   1.894
   64    H    LYS  22           H        LYS  22  -6.994   7.765   3.180
   65    HA   LYS  22           HA       LYS  22  -6.732   8.474   0.367
   66   1HB   LYS  22          2HB       LYS  22  -8.737   8.927   1.947
   67   2HB   LYS  22          1HB       LYS  22  -7.790  10.300   2.523
   68   1HG   LYS  22          2HG       LYS  22  -7.812  10.150  -0.388
   69   2HG   LYS  22          1HG       LYS  22  -9.443  10.273   0.273
   70   1HD   LYS  22          2HD       LYS  22  -8.812  12.250   1.563
   71   2HD   LYS  22          1HD       LYS  22  -7.142  12.107   1.010
   72   1HE   LYS  22          2HE       LYS  22  -8.879  12.081  -1.277
   73   2HE   LYS  22          1HE       LYS  22  -9.282  13.471  -0.269
   74   1HZ   LYS  22          2HZ       LYS  22  -6.515  12.770  -1.077
   75   2HZ   LYS  22          1HZ       LYS  22  -7.489  13.879  -1.919
   76   3HZ   LYS  22          3HZ       LYS  22  -7.036  14.196  -0.315
   77    H    TYR  23           H        TYR  23  -4.652   8.800   2.940
   78    HA   TYR  23           HA       TYR  23  -3.320  11.116   1.614
   79   1HB   TYR  23          2HB       TYR  23  -4.073  10.793   4.496
   80   2HB   TYR  23          1HB       TYR  23  -2.564  11.623   4.108
   81    HD1  TYR  23           HD2      TYR  23  -3.038  13.123   1.737
   82    HD2  TYR  23           HD1      TYR  23  -5.756  12.336   4.969
   83    HE1  TYR  23           HE2      TYR  23  -4.311  15.173   1.166
   84    HE2  TYR  23           HE1      TYR  23  -7.028  14.386   4.398
   85    HH   TYR  23           HH       TYR  23  -7.354  15.952   2.766
   86    H    VAL  24           H        VAL  24  -2.819   8.271   1.347
   87    HA   VAL  24           HA       VAL  24  -0.107   8.139   2.599
   88    HB   VAL  24           HB       VAL  24  -1.858   6.470   3.446
   89   1HG1  VAL  24          1HG1      VAL  24  -2.730   6.120   1.049
   90   2HG1  VAL  24          3HG1      VAL  24  -1.319   5.089   0.814
   91   3HG1  VAL  24          2HG1      VAL  24  -2.519   4.677   2.039
   92   1HG2  VAL  24          3HG2      VAL  24   0.897   6.177   2.786
   93   2HG2  VAL  24          2HG2      VAL  24  -0.009   5.328   4.038
   94   3HG2  VAL  24          1HG2      VAL  24   0.106   4.645   2.416
   95    H    LYS  25           H        LYS  25   1.525   8.053   1.118
   96    HA   LYS  25           HA       LYS  25   0.782   7.406  -1.702
   97   1HB   LYS  25          2HB       LYS  25   1.974   9.661  -0.817
   98   2HB   LYS  25          1HB       LYS  25   3.405   8.667  -1.092
   99   1HG   LYS  25          2HG       LYS  25   2.244   8.107  -3.377
  100   2HG   LYS  25          1HG       LYS  25   1.335   9.587  -3.067
  101   1HD   LYS  25          2HD       LYS  25   3.421  10.855  -2.849
  102   2HD   LYS  25          1HD       LYS  25   4.360   9.381  -3.084
  103   1HE   LYS  25          2HE       LYS  25   4.357  10.127  -5.261
  104   2HE   LYS  25          1HE       LYS  25   2.833   9.242  -5.288
  105   1HZ   LYS  25          2HZ       LYS  25   2.605  11.938  -4.305
  106   2HZ   LYS  25          1HZ       LYS  25   3.123  11.846  -5.921
  107   3HZ   LYS  25          3HZ       LYS  25   1.663  11.119  -5.457
  108    H    GLU  26           H        GLU  26   0.970   5.082  -1.089
  109    HA   GLU  26           HA       GLU  26   3.503   3.990  -0.227
  110   1HB   GLU  26          2HB       GLU  26   2.533   1.838  -0.710
  111   2HB   GLU  26          1HB       GLU  26   1.247   2.844  -0.045
  112   1HG   GLU  26          2HG       GLU  26   0.795   3.460  -2.553
  113   2HG   GLU  26          1HG       GLU  26   1.683   1.972  -2.887
  114    H    MET  27           H        MET  27   5.224   3.264  -1.469
  115    HA   MET  27           HA       MET  27   4.942   3.561  -4.429
  116   1HB   MET  27          2HB       MET  27   7.119   4.494  -2.576
  117   2HB   MET  27          1HB       MET  27   7.481   4.138  -4.264
  118   1HG   MET  27          2HG       MET  27   5.142   5.895  -3.579
  119   2HG   MET  27          1HG       MET  27   6.771   6.571  -3.605
  120   1HE   MET  27          2HE       MET  27   4.579   7.603  -5.030
  121   2HE   MET  27          1HE       MET  27   5.937   8.272  -5.932
  122   3HE   MET  27          3HE       MET  27   4.599   7.494  -6.789
  123    HA   PRO  28           HA       PRO  28   6.279  -0.676  -4.223
  124   1HB   PRO  28          2HB       PRO  28   6.386  -1.060  -6.948
  125   2HB   PRO  28          1HB       PRO  28   4.886  -1.104  -6.003
  126   1HG   PRO  28          2HG       PRO  28   5.915   1.052  -7.799
  127   2HG   PRO  28          1HG       PRO  28   4.241   0.623  -7.404
  128   1HD   PRO  28          2HD       PRO  28   5.653   2.789  -6.307
  129   2HD   PRO  28          1HD       PRO  28   4.178   2.075  -5.621
  130    H    ASP  29           H        ASP  29   7.970   1.996  -5.530
  131    HA   ASP  29           HA       ASP  29  10.349   0.430  -6.271
  132   1HB   ASP  29          2HB       ASP  29  11.318   2.536  -6.932
  133   2HB   ASP  29          1HB       ASP  29   9.647   2.538  -7.495
  134    H    LYS  30           H        LYS  30   9.061   0.893  -3.437
  135    HA   LYS  30           HA       LYS  30   9.987   0.643  -1.305
  136   1HB   LYS  30          2HB       LYS  30  12.616   1.483  -2.512
  137   2HB   LYS  30          1HB       LYS  30  12.365   0.658  -0.979
  138   1HG   LYS  30          2HG       LYS  30  11.318  -1.240  -2.309
  139   2HG   LYS  30          1HG       LYS  30  11.920  -0.442  -3.763
  140   1HD   LYS  30          2HD       LYS  30  13.732  -1.796  -3.344
  141   2HD   LYS  30          1HD       LYS  30  14.188  -0.428  -2.328
  142   1HE   LYS  30          2HE       LYS  30  12.956  -1.574  -0.425
  143   2HE   LYS  30          1HE       LYS  30  12.838  -2.995  -1.463
  144   1HZ   LYS  30          3HZ       LYS  30  15.313  -2.831  -1.708
  145   2HZ   LYS  30          2HZ       LYS  30  15.296  -1.679  -0.459
  146   3HZ   LYS  30          1HZ       LYS  30  14.767  -3.266  -0.163
  147    H    THR  31           H        THR  31   8.538   2.778  -1.662
  148    HA   THR  31           HA       THR  31  10.007   4.880  -0.221
  149    HB   THR  31           HB       THR  31   8.434   5.805  -2.577
  150    HG1  THR  31           HG1      THR  31  11.170   5.101  -2.688
  151   1HG2  THR  31          2HG2      THR  31  10.606   6.808  -0.785
  152   2HG2  THR  31          1HG2      THR  31  10.488   7.465  -2.418
  153   3HG2  THR  31          3HG2      THR  31   9.125   7.613  -1.307
  154    H    PHE  32           H        PHE  32   8.329   6.765   0.204
  155    HA   PHE  32           HA       PHE  32   5.525   6.006   0.274
  156   1HB   PHE  32          2HB       PHE  32   7.282   5.377   2.552
  157   2HB   PHE  32          1HB       PHE  32   5.854   6.312   2.991
  158    HD1  PHE  32           HD2      PHE  32   3.567   5.467   2.334
  159    HD2  PHE  32           HD1      PHE  32   7.116   3.082   1.928
  160    HE1  PHE  32           HE2      PHE  32   2.173   3.423   2.154
  161    HE2  PHE  32           HE1      PHE  32   5.723   1.038   1.749
  162    HZ   PHE  32           HZ       PHE  32   3.251   1.209   1.862
  163    H    GLU  33           H        GLU  33   4.242   7.836   0.767
  164    HA   GLU  33           HA       GLU  33   5.632  10.244   1.801
  165   1HB   GLU  33          2HB       GLU  33   5.681  10.116  -0.786
  166   2HB   GLU  33          1HB       GLU  33   3.950  10.446  -0.693
  167   1HG   GLU  33          2HG       GLU  33   4.593  12.428   0.826
  168   2HG   GLU  33          1HG       GLU  33   6.236  12.187   0.230
  169    H    CYS  34           H        CYS  34   4.355  10.658   3.547
  170    HA   CYS  34           HA       CYS  34   1.540  10.048   3.688
  171   1HB   CYS  34          2HB       CYS  34   3.107  10.331   5.653
  172   2HB   CYS  34          1HB       CYS  34   3.095  12.064   5.339
  173    H    LEU  35           H        LEU  35   0.229  11.045   2.196
  174    HA   LEU  35           HA       LEU  35   0.727  13.688   1.159
  175   1HB   LEU  35          2HB       LEU  35  -1.745  11.943   1.055
  176   2HB   LEU  35          1HB       LEU  35  -1.535  13.434   0.137
  177    HG   LEU  35           HG       LEU  35   0.802  11.921  -0.314
  178   1HD1  LEU  35           HD1      LEU  35  -1.491  10.226   0.231
  179   2HD1  LEU  35           HD1      LEU  35  -0.942  10.025  -1.432
  180   3HD1  LEU  35           HD1      LEU  35   0.180   9.766  -0.097
  181   1HD2  LEU  35           HD2      LEU  35  -0.488  13.480  -1.845
  182   2HD2  LEU  35           HD2      LEU  35   0.061  11.987  -2.608
  183   3HD2  LEU  35           HD2      LEU  35  -1.624  12.159  -2.116
  184    H    PHE  36           H        PHE  36  -0.291  12.913   4.219
  185    HA   PHE  36           HA       PHE  36  -2.566  14.533   4.655
  186   1HB   PHE  36          2HB       PHE  36  -1.649  13.107   6.420
  187   2HB   PHE  36          1HB       PHE  36  -0.188  14.092   6.484
  188    HD1  PHE  36           HD2      PHE  36  -0.412  16.566   7.096
  189    HD2  PHE  36           HD1      PHE  36  -3.579  13.723   7.640
  190    HE1  PHE  36           HE2      PHE  36  -1.511  18.101   8.700
  191    HE2  PHE  36           HE1      PHE  36  -4.684  15.264   9.241
  192    HZ   PHE  36           HZ       PHE  36  -3.651  17.452   9.769
  193    HA   PRO  37           HA       PRO  37  -0.934  18.536   3.790
  194   1HB   PRO  37          2HB       PRO  37  -3.014  19.990   4.860
  195   2HB   PRO  37          1HB       PRO  37  -3.096  19.173   3.289
  196   1HG   PRO  37          2HG       PRO  37  -4.341  18.384   5.884
  197   2HG   PRO  37          1HG       PRO  37  -4.870  18.027   4.231
  198   1HD   PRO  37          2HD       PRO  37  -3.521  16.236   5.953
  199   2HD   PRO  37          1HD       PRO  37  -3.734  16.032   4.200
  200    H    GLY  38           H        GLY  38   0.829  18.905   5.081
  201   1HA   GLY  38          2HA       GLY  38   1.483  20.555   6.891
  202   2HA   GLY  38          1HA       GLY  38   0.317  19.710   7.916
  203    H    CYS  39           H        CYS  39   1.188  17.167   6.404
  204    HA   CYS  39           HA       CYS  39   3.087  16.258   8.379
  205   1HB   CYS  39          2HB       CYS  39   1.416  14.844   7.061
  206   2HB   CYS  39          1HB       CYS  39   2.536  14.959   5.704
  207    H    THR  40           H        THR  40   5.263  15.332   7.748
  208    HA   THR  40           HA       THR  40   6.547  16.416   5.356
  209    HB   THR  40           HB       THR  40   8.158  17.294   7.588
  210    HG1  THR  40           HG1      THR  40   6.707  18.947   8.262
  211   1HG2  THR  40          2HG2      THR  40   7.638  18.014   4.971
  212   2HG2  THR  40          1HG2      THR  40   6.902  19.327   5.891
  213   3HG2  THR  40          3HG2      THR  40   8.610  18.945   6.110
  214    H    LYS  41           H        LYS  41   6.104  13.791   6.569
  215    HA   LYS  41           HA       LYS  41   8.968  13.003   6.928
  216   1HB   LYS  41          2HB       LYS  41   6.621  12.455   8.646
  217   2HB   LYS  41          1HB       LYS  41   7.633  11.054   8.294
  218   1HG   LYS  41          2HG       LYS  41   9.185  11.774   9.752
  219   2HG   LYS  41          1HG       LYS  41   9.330  13.297   8.873
  220   1HD   LYS  41          2HD       LYS  41   7.065  12.782  10.805
  221   2HD   LYS  41          1HD       LYS  41   8.607  13.456  11.334
  222   1HE   LYS  41          2HE       LYS  41   8.364  15.340   9.817
  223   2HE   LYS  41          1HE       LYS  41   6.901  14.638   9.125
  224   1HZ   LYS  41          2HZ       LYS  41   7.242  15.478  11.954
  225   2HZ   LYS  41          1HZ       LYS  41   6.384  16.336  10.765
  226   3HZ   LYS  41          3HZ       LYS  41   5.830  14.816  11.277
  227    H    THR  42           H        THR  42   9.541  11.721   5.250
  228    HA   THR  42           HA       THR  42   7.426  10.067   3.937
  229    HB   THR  42           HB       THR  42   8.681  10.171   1.943
  230    HG1  THR  42           HG1      THR  42  10.847  11.030   1.998
  231   1HG2  THR  42          1HG2      THR  42   8.731  12.752   3.481
  232   2HG2  THR  42          3HG2      THR  42   9.400  12.681   1.850
  233   3HG2  THR  42          2HG2      THR  42   7.703  12.288   2.126
  234    H    PHE  43           H        PHE  43   7.961   7.837   3.434
  235    HA   PHE  43           HA       PHE  43  10.307   6.783   4.962
  236   1HB   PHE  43          2HB       PHE  43   7.745   5.229   4.753
  237   2HB   PHE  43          1HB       PHE  43   9.025   5.101   5.959
  238    HD1  PHE  43           HD1      PHE  43   6.450   7.501   4.670
  239    HD2  PHE  43           HD2      PHE  43   8.802   6.196   8.019
  240    HE1  PHE  43           HE1      PHE  43   5.231   9.082   6.142
  241    HE2  PHE  43           HE2      PHE  43   7.583   7.777   9.491
  242    HZ   PHE  43           HZ       PHE  43   5.797   9.219   8.553
  243    H    LYS  44           H        LYS  44  10.244   4.171   4.292
  244    HA   LYS  44           HA       LYS  44   9.850   3.947   1.368
  245   1HB   LYS  44          2HB       LYS  44  12.170   3.151   1.025
  246   2HB   LYS  44          1HB       LYS  44  12.142   4.819   1.600
  247   1HG   LYS  44          2HG       LYS  44  12.140   3.165   3.904
  248   2HG   LYS  44          1HG       LYS  44  13.378   2.528   2.822
  249   1HD   LYS  44          2HD       LYS  44  14.573   4.552   2.789
  250   2HD   LYS  44          1HD       LYS  44  13.182   5.488   3.340
  251   1HE   LYS  44          2HE       LYS  44  13.354   4.610   5.559
  252   2HE   LYS  44          1HE       LYS  44  14.506   3.375   5.053
  253   1HZ   LYS  44          2HZ       LYS  44  15.890   5.418   4.311
  254   2HZ   LYS  44          1HZ       LYS  44  14.920   6.262   5.422
  255   3HZ   LYS  44          3HZ       LYS  44  15.877   4.963   5.948
  256    H    ARG  45           H        ARG  45   8.843   2.030   1.072
  257    HA   ARG  45           HA       ARG  45   8.018  -0.119   1.591
  258   1HB   ARG  45          2HB       ARG  45  10.786  -0.167   1.043
  259   2HB   ARG  45          1HB       ARG  45  10.549  -1.246   2.419
  260   1HG   ARG  45          2HG       ARG  45   9.002  -1.349  -0.188
  261   2HG   ARG  45          1HG       ARG  45  10.277  -2.468   0.294
  262   1HD   ARG  45          2HD       ARG  45   8.854  -3.665   1.570
  263   2HD   ARG  45          1HD       ARG  45   8.253  -2.211   2.368
  264    HE   ARG  45           HE       ARG  45   7.021  -2.108  -0.088
  265   1HH1  ARG  45           HH2      ARG  45   7.410  -5.138  -0.013
  266   2HH1  ARG  45           HH2      ARG  45   5.904  -5.648   0.677
  267   1HH2  ARG  45           HH1      ARG  45   5.058  -2.487   1.825
  268   2HH2  ARG  45           HH1      ARG  45   4.573  -4.146   1.718
  269    H    ARG  46           H        ARG  46   6.809   0.237   3.497
  270    HA   ARG  46           HA       ARG  46   7.574  -1.170   5.823
  271   1HB   ARG  46          2HB       ARG  46   8.804   1.408   5.650
  272   2HB   ARG  46          1HB       ARG  46   7.604   1.459   6.942
  273   1HG   ARG  46          2HG       ARG  46   8.849   0.129   8.274
  274   2HG   ARG  46          1HG       ARG  46   9.127  -1.029   6.972
  275   1HD   ARG  46          2HD       ARG  46  11.264  -0.080   7.662
  276   2HD   ARG  46          1HD       ARG  46  10.873   0.496   6.042
  277    HE   ARG  46           HE       ARG  46  10.436   2.680   6.965
  278   1HH1  ARG  46           HH2      ARG  46  10.187   0.544   9.549
  279   2HH1  ARG  46           HH2      ARG  46  11.001   1.558  10.693
  280   1HH2  ARG  46           HH1      ARG  46  11.975   3.897   8.325
  281   2HH2  ARG  46           HH1      ARG  46  12.013   3.457  10.000
  282    H    TYR  47           H        TYR  47   5.766  -1.421   7.112
  283    HA   TYR  47           HA       TYR  47   3.380   0.193   6.358
  284   1HB   TYR  47          2HB       TYR  47   2.644  -1.908   8.120
  285   2HB   TYR  47          1HB       TYR  47   2.298  -1.791   6.397
  286    HD1  TYR  47           HD2      TYR  47   4.427  -2.340   4.853
  287    HD2  TYR  47           HD1      TYR  47   3.810  -3.770   8.852
  288    HE1  TYR  47           HE2      TYR  47   5.969  -4.235   4.407
  289    HE2  TYR  47           HE1      TYR  47   5.353  -5.666   8.413
  290    HH   TYR  47           HH       TYR  47   6.379  -6.848   6.725
  291    H    ASN  48           H        ASN  48   5.521   1.098   8.192
  292    HA   ASN  48           HA       ASN  48   4.041   1.068  10.756
  293   1HB   ASN  48          2HB       ASN  48   6.912   1.683  10.049
  294   2HB   ASN  48          1HB       ASN  48   6.233   2.122  11.617
  295   1HD2  ASN  48           HD2      ASN  48   7.228  -1.733  10.879
  296   2HD2  ASN  48           HD2      ASN  48   7.505  -0.509   9.737
  297    H    ILE  49           H        ILE  49   4.860   3.011   8.069
  298    HA   ILE  49           HA       ILE  49   4.562   5.573   9.421
  299    HB   ILE  49           HB       ILE  49   5.399   6.418   7.509
  300   1HG1  ILE  49          2HG1      ILE  49   3.020   6.539   6.694
  301   2HG1  ILE  49          1HG1      ILE  49   4.217   6.403   5.407
  302   1HG2  ILE  49          1HG2      ILE  49   6.502   4.194   7.398
  303   2HG2  ILE  49          3HG2      ILE  49   5.201   3.632   6.347
  304   3HG2  ILE  49          2HG2      ILE  49   6.271   4.923   5.809
  305   1HD1  ILE  49           HD1      ILE  49   3.475   3.766   6.251
  306   2HD1  ILE  49           HD1      ILE  49   2.009   4.689   5.922
  307   3HD1  ILE  49           HD1      ILE  49   3.241   4.518   4.672
  308    H    ARG  50           H        ARG  50   2.469   3.281   7.796
  309    HA   ARG  50           HA       ARG  50   0.186   4.902   7.385
  310   1HB   ARG  50          2HB       ARG  50   0.730   2.024   7.719
  311   2HB   ARG  50          1HB       ARG  50  -0.882   2.508   8.249
  312   1HG   ARG  50          2HG       ARG  50  -1.279   3.601   6.078
  313   2HG   ARG  50          1HG       ARG  50   0.338   3.138   5.545
  314   1HD   ARG  50          2HD       ARG  50  -1.146   0.856   6.584
  315   2HD   ARG  50          1HD       ARG  50  -1.991   1.627   5.241
  316    HE   ARG  50           HE       ARG  50   0.806   0.578   5.076
  317   1HH1  ARG  50           HH1      ARG  50   1.291   1.522   2.808
  318   2HH1  ARG  50           HH1      ARG  50   0.154   1.003   1.610
  319   1HH2  ARG  50           HH2      ARG  50  -2.185  -0.094   3.923
  320   2HH2  ARG  50           HH2      ARG  50  -1.815   0.088   2.241
  321    H    SER  51           H        SER  51   1.229   3.103  10.282
  322    HA   SER  51           HA       SER  51  -0.945   3.978  11.938
  323   1HB   SER  51          2HB       SER  51   0.657   2.079  12.464
  324   2HB   SER  51          1HB       SER  51   1.868   3.300  12.851
  325    HG   SER  51           HG       SER  51   0.534   4.058  14.478
  326    H    HIS  52           H        HIS  52   2.289   5.274  11.265
  327    HA   HIS  52           HA       HIS  52   2.391   7.381  13.104
  328   1HB   HIS  52          2HB       HIS  52   4.316   7.536  11.876
  329   2HB   HIS  52          1HB       HIS  52   3.565   6.812  10.461
  330    HD1  HIS  52           HD1      HIS  52   5.027   9.897  11.498
  331    HD2  HIS  52           HD2      HIS  52   1.721   8.921   9.171
  332    HE1  HIS  52           HE1      HIS  52   4.426  11.984  10.190
  333    H    ILE  53           H        ILE  53   0.615   7.176  10.055
  334    HA   ILE  53           HA       ILE  53  -0.424   9.877  10.206
  335    HB   ILE  53           HB       ILE  53  -1.528   7.431   8.757
  336   1HG1  ILE  53          2HG1      ILE  53   0.425   9.584   7.912
  337   2HG1  ILE  53          1HG1      ILE  53   0.704   7.845   7.960
  338   1HG2  ILE  53          1HG2      ILE  53  -2.105  10.388   8.571
  339   2HG2  ILE  53          3HG2      ILE  53  -2.504   9.269   7.268
  340   3HG2  ILE  53          2HG2      ILE  53  -3.238   9.069   8.854
  341   1HD1  ILE  53           HD1      ILE  53  -1.208   7.638   6.266
  342   2HD1  ILE  53           HD1      ILE  53  -1.084   9.386   6.069
  343   3HD1  ILE  53           HD1      ILE  53   0.288   8.353   5.666
  344    H    GLN  54           H        GLN  54  -1.542   6.688  11.260
  345    HA   GLN  54           HA       GLN  54  -4.164   7.381  12.016
  346   1HB   GLN  54          2HB       GLN  54  -2.369   5.502  13.543
  347   2HB   GLN  54          1HB       GLN  54  -4.127   5.472  13.493
  348   1HG   GLN  54          2HG       GLN  54  -2.347   5.060  11.074
  349   2HG   GLN  54          1HG       GLN  54  -3.066   3.753  12.010
  350   1HE2  GLN  54          2HE2      GLN  54  -5.422   4.392   9.237
  351   2HE2  GLN  54          1HE2      GLN  54  -3.852   3.771   9.412
  352    H    THR  55           H        THR  55  -1.123   7.934  13.745
  353    HA   THR  55           HA       THR  55  -2.547   8.871  16.112
  354    HB   THR  55           HB       THR  55   0.309   9.601  15.559
  355    HG1  THR  55           HG1      THR  55  -0.766   7.031  15.947
  356   1HG2  THR  55          3HG2      THR  55  -0.947  10.205  17.676
  357   2HG2  THR  55          2HG2      THR  55  -1.026   8.479  18.031
  358   3HG2  THR  55          1HG2      THR  55   0.538   9.286  17.928
  359    H    HIS  56           H        HIS  56  -0.802  10.440  13.442
  360    HA   HIS  56           HA       HIS  56  -1.811  13.021  14.438
  361   1HB   HIS  56          2HB       HIS  56   0.030  13.932  13.547
  362   2HB   HIS  56          1HB       HIS  56   0.616  12.289  13.449
  363    HD1  HIS  56           HD1      HIS  56  -1.039  14.938  11.268
  364    HD2  HIS  56           HD2      HIS  56   1.151  11.424  10.905
  365    HE1  HIS  56           HE1      HIS  56  -0.124  14.893   8.894
  366    H    LEU  57           H        LEU  57  -3.333  10.796  13.024
  367    HA   LEU  57           HA       LEU  57  -4.879  12.621  11.324
  368   1HB   LEU  57          2HB       LEU  57  -3.087  11.324   9.924
  369   2HB   LEU  57          1HB       LEU  57  -4.149   9.941  10.172
  370    HG   LEU  57           HG       LEU  57  -5.959  10.992   9.036
  371   1HD1  LEU  57           HD1      LEU  57  -4.382  13.458   9.605
  372   2HD1  LEU  57           HD1      LEU  57  -5.353  13.442   8.132
  373   3HD1  LEU  57           HD1      LEU  57  -6.124  13.192   9.699
  374   1HD2  LEU  57           HD2      LEU  57  -3.304  11.530   7.682
  375   2HD2  LEU  57           HD2      LEU  57  -4.372  10.146   7.451
  376   3HD2  LEU  57           HD2      LEU  57  -4.849  11.736   6.857
  377    H    GLU  58           H        GLU  58  -4.864  10.486  13.787
  378    HA   GLU  58           HA       GLU  58  -6.762   8.511  13.371
  379   1HB   GLU  58          2HB       GLU  58  -5.689   8.976  15.565
  380   2HB   GLU  58          1HB       GLU  58  -6.705  10.406  15.742
  381   1HG   GLU  58          2HG       GLU  58  -8.721   8.920  15.526
  382   2HG   GLU  58          1HG       GLU  58  -7.637   7.529  15.558
  383    H    ASP  59           H        ASP  59  -7.821  11.614  14.788
  384    HA   ASP  59           HA       ASP  59 -10.527  11.271  13.887
  385   1HB   ASP  59          2HB       ASP  59  -8.947  13.397  15.219
  386   2HB   ASP  59          1HB       ASP  59 -10.355  13.952  14.311
  387    H    ARG  60           H        ARG  60  -8.167  13.766  12.851
  388    HA   ARG  60           HA       ARG  60  -8.511  13.275  10.054
  389   1HB   ARG  60          2HB       ARG  60 -10.806  14.111  10.532
  390   2HB   ARG  60          1HB       ARG  60 -10.111  15.614  11.141
  391   1HG   ARG  60          2HG       ARG  60  -8.881  15.323   8.679
  392   2HG   ARG  60          1HG       ARG  60 -10.517  14.738   8.372
  393   1HD   ARG  60          2HD       ARG  60  -9.621  17.456   9.286
  394   2HD   ARG  60          1HD       ARG  60 -10.762  17.033   8.009
  395    HE   ARG  60           HE       ARG  60 -11.459  17.510  10.745
  396   1HH1  ARG  60           HH1      ARG  60 -12.460  15.152  11.430
  397   2HH1  ARG  60           HH1      ARG  60 -13.873  14.835  10.479
  398   1HH2  ARG  60           HH2      ARG  60 -13.107  17.208   8.069
  399   2HH2  ARG  60           HH2      ARG  60 -14.238  15.998   8.576
   
  No H/Q in entry =         399
  Start of MODEL   33
    1   1H    THR  14          3H        THR  14 -10.632  -4.933  15.985
    2   2H    THR  14          2H        THR  14 -12.046  -4.866  16.924
    3   3H    THR  14          1H        THR  14 -12.137  -5.250  15.271
    4    HA   THR  14           HA       THR  14 -12.552  -3.111  14.901
    5    HB   THR  14           HB       THR  14 -12.168  -1.406  16.720
    6    HG1  THR  14           HG1      THR  14 -10.528  -2.208  17.882
    7   1HG2  THR  14          3HG2      THR  14 -13.705  -3.940  17.314
    8   2HG2  THR  14          2HG2      THR  14 -13.826  -2.494  18.316
    9   3HG2  THR  14          1HG2      THR  14 -14.324  -2.440  16.624
   10    H    LEU  15           H        LEU  15 -11.371  -1.531  13.801
   11    HA   LEU  15           HA       LEU  15  -8.640  -0.857  14.421
   12   1HB   LEU  15          2HB       LEU  15  -7.479  -1.986  12.641
   13   2HB   LEU  15          1HB       LEU  15  -8.396  -3.215  13.515
   14    HG   LEU  15           HG       LEU  15 -10.225  -2.359  11.647
   15   1HD1  LEU  15           HD1      LEU  15  -7.444  -1.999  10.598
   16   2HD1  LEU  15           HD1      LEU  15  -8.667  -2.668   9.516
   17   3HD1  LEU  15           HD1      LEU  15  -8.904  -1.076  10.239
   18   1HD2  LEU  15           HD2      LEU  15  -8.506  -4.673  12.126
   19   2HD2  LEU  15           HD2      LEU  15 -10.192  -4.621  11.610
   20   3HD2  LEU  15           HD2      LEU  15  -8.900  -4.484  10.418
   21    HA   PRO  16           HA       PRO  16  -9.871   2.398  11.730
   22   1HB   PRO  16          2HB       PRO  16  -7.409   3.590  11.447
   23   2HB   PRO  16          1HB       PRO  16  -8.400   3.727  12.909
   24   1HG   PRO  16          2HG       PRO  16  -5.938   2.108  12.456
   25   2HG   PRO  16          1HG       PRO  16  -6.587   2.765  13.967
   26   1HD   PRO  16          2HD       PRO  16  -6.802   0.078  13.094
   27   2HD   PRO  16          1HD       PRO  16  -7.708   0.819  14.431
   28    H    ARG  17           H        ARG  17 -10.045   2.633   9.502
   29    HA   ARG  17           HA       ARG  17  -7.955   2.099   7.627
   30   1HB   ARG  17          2HB       ARG  17  -9.291  -0.233   8.598
   31   2HB   ARG  17          1HB       ARG  17  -9.792   0.020   6.924
   32   1HG   ARG  17          2HG       ARG  17  -6.946   0.507   7.249
   33   2HG   ARG  17          1HG       ARG  17  -7.380  -1.116   7.786
   34   1HD   ARG  17          2HD       ARG  17  -6.817  -0.860   5.300
   35   2HD   ARG  17          1HD       ARG  17  -8.338  -1.670   5.677
   36    HE   ARG  17           HE       ARG  17  -8.592   1.220   5.262
   37   1HH1  ARG  17           HH2      ARG  17 -10.718  -0.861   4.715
   38   2HH1  ARG  17           HH2      ARG  17 -10.733  -0.894   2.983
   39   1HH2  ARG  17           HH1      ARG  17  -7.681   0.721   2.660
   40   2HH2  ARG  17           HH1      ARG  17  -9.013   0.000   1.819
   41    H    GLY  18           H        GLY  18  -9.185   4.234   7.339
   42   1HA   GLY  18          2HA       GLY  18 -10.755   4.121   4.960
   43   2HA   GLY  18          1HA       GLY  18 -11.837   4.347   6.335
   44    H    SER  19           H        SER  19  -8.560   5.622   6.274
   45    HA   SER  19           HA       SER  19  -9.311   8.272   5.377
   46   1HB   SER  19          2HB       SER  19  -8.481   8.786   8.051
   47   2HB   SER  19          1HB       SER  19 -10.032   9.169   7.307
   48    HG   SER  19           HG       SER  19  -9.248   6.914   8.799
   49    H    ILE  20           H        ILE  20  -7.168   6.134   5.168
   50    HA   ILE  20           HA       ILE  20  -4.837   7.843   5.898
   51    HB   ILE  20           HB       ILE  20  -4.545   4.926   5.270
   52   1HG1  ILE  20          2HG1      ILE  20  -6.364   4.879   6.853
   53   2HG1  ILE  20          1HG1      ILE  20  -4.891   4.497   7.746
   54   1HG2  ILE  20          2HG2      ILE  20  -3.060   7.101   6.626
   55   2HG2  ILE  20          1HG2      ILE  20  -2.965   5.524   7.409
   56   3HG2  ILE  20          3HG2      ILE  20  -2.449   5.709   5.733
   57   1HD1  ILE  20           HD1      ILE  20  -5.205   7.342   7.698
   58   2HD1  ILE  20           HD1      ILE  20  -6.725   6.622   8.228
   59   3HD1  ILE  20           HD1      ILE  20  -5.231   6.263   9.093
   60    H    ASP  21           H        ASP  21  -6.408   5.959   3.395
   61    HA   ASP  21           HA       ASP  21  -4.284   6.211   1.444
   62   1HB   ASP  21          2HB       ASP  21  -7.256   5.731   1.051
   63   2HB   ASP  21          1HB       ASP  21  -6.014   5.513  -0.183
   64    H    LYS  22           H        LYS  22  -6.378   8.479   2.787
   65    HA   LYS  22           HA       LYS  22  -6.729  10.107   0.371
   66   1HB   LYS  22          2HB       LYS  22  -8.460  10.216   2.068
   67   2HB   LYS  22          1HB       LYS  22  -7.279  10.657   3.302
   68   1HG   LYS  22          2HG       LYS  22  -7.289  12.832   2.682
   69   2HG   LYS  22          1HG       LYS  22  -7.191  12.424   0.968
   70   1HD   LYS  22          2HD       LYS  22  -9.350  13.047   0.792
   71   2HD   LYS  22          1HD       LYS  22  -9.760  11.620   1.744
   72   1HE   LYS  22          2HE       LYS  22  -9.698  12.855   3.793
   73   2HE   LYS  22          1HE       LYS  22  -8.952  14.247   3.009
   74   1HZ   LYS  22          1HZ       LYS  22 -11.269  13.726   1.604
   75   2HZ   LYS  22          3HZ       LYS  22 -11.698  13.590   3.240
   76   3HZ   LYS  22          2HZ       LYS  22 -10.983  15.021   2.667
   77    H    TYR  23           H        TYR  23  -4.190   9.539   2.505
   78    HA   TYR  23           HA       TYR  23  -2.718  11.849   1.439
   79   1HB   TYR  23          2HB       TYR  23  -3.381  11.548   4.373
   80   2HB   TYR  23          1HB       TYR  23  -2.002  12.494   3.815
   81    HD1  TYR  23           HD2      TYR  23  -2.793  13.921   1.521
   82    HD2  TYR  23           HD1      TYR  23  -5.192  12.897   4.933
   83    HE1  TYR  23           HE2      TYR  23  -4.297  15.832   1.036
   84    HE2  TYR  23           HE1      TYR  23  -6.696  14.808   4.450
   85    HH   TYR  23           HH       TYR  23  -7.284  16.156   2.185
   86    H    VAL  24           H        VAL  24  -2.486   8.949   1.231
   87    HA   VAL  24           HA       VAL  24   0.205   8.642   2.486
   88    HB   VAL  24           HB       VAL  24  -1.689   7.270   3.541
   89   1HG1  VAL  24          1HG1      VAL  24  -2.450   6.710   1.045
   90   2HG1  VAL  24          3HG1      VAL  24  -1.334   5.362   1.271
   91   3HG1  VAL  24          2HG1      VAL  24  -2.705   5.565   2.363
   92   1HG2  VAL  24          2HG2      VAL  24   0.717   5.861   2.340
   93   2HG2  VAL  24          1HG2      VAL  24   0.687   6.736   3.870
   94   3HG2  VAL  24          3HG2      VAL  24  -0.243   5.248   3.686
   95    H    LYS  25           H        LYS  25   1.692   8.547   0.882
   96    HA   LYS  25           HA       LYS  25   0.855   7.481  -1.772
   97   1HB   LYS  25          2HB       LYS  25   2.092   9.787  -1.344
   98   2HB   LYS  25          1HB       LYS  25   3.524   8.758  -1.286
   99   1HG   LYS  25          2HG       LYS  25   2.854   7.782  -3.491
  100   2HG   LYS  25          1HG       LYS  25   1.528   8.944  -3.560
  101   1HD   LYS  25          2HD       LYS  25   4.049  10.253  -2.934
  102   2HD   LYS  25          1HD       LYS  25   4.146   9.363  -4.454
  103   1HE   LYS  25          2HE       LYS  25   1.641  10.871  -4.111
  104   2HE   LYS  25          1HE       LYS  25   3.083  11.883  -4.192
  105   1HZ   LYS  25          2HZ       LYS  25   2.374   9.765  -6.149
  106   2HZ   LYS  25          1HZ       LYS  25   2.137  11.430  -6.387
  107   3HZ   LYS  25          3HZ       LYS  25   3.709  10.812  -6.240
  108    H    GLU  26           H        GLU  26   1.025   5.241  -1.340
  109    HA   GLU  26           HA       GLU  26   3.381   4.124  -0.062
  110   1HB   GLU  26          2HB       GLU  26   1.545   2.502  -1.797
  111   2HB   GLU  26          1HB       GLU  26   2.328   2.054  -0.282
  112   1HG   GLU  26          2HG       GLU  26   0.860   3.892   0.793
  113   2HG   GLU  26          1HG       GLU  26  -0.086   3.816  -0.694
  114    H    MET  27           H        MET  27   5.143   3.142  -1.018
  115    HA   MET  27           HA       MET  27   5.278   3.215  -3.998
  116   1HB   MET  27          2HB       MET  27   6.805   4.777  -2.150
  117   2HB   MET  27          1HB       MET  27   7.887   3.607  -2.906
  118   1HG   MET  27          2HG       MET  27   7.971   5.256  -4.513
  119   2HG   MET  27          1HG       MET  27   6.560   4.376  -5.099
  120   1HE   MET  27          1HE       MET  27   5.038   5.499  -6.063
  121   2HE   MET  27          3HE       MET  27   4.335   7.084  -5.710
  122   3HE   MET  27          2HE       MET  27   5.956   6.967  -6.388
  123    HA   PRO  28           HA       PRO  28   6.376  -1.005  -2.981
  124   1HB   PRO  28          2HB       PRO  28   6.432  -1.872  -5.595
  125   2HB   PRO  28          1HB       PRO  28   4.946  -1.707  -4.643
  126   1HG   PRO  28          2HG       PRO  28   6.001   0.067  -6.805
  127   2HG   PRO  28          1HG       PRO  28   4.323  -0.241  -6.324
  128   1HD   PRO  28          2HD       PRO  28   5.801   2.049  -5.643
  129   2HD   PRO  28          1HD       PRO  28   4.320   1.505  -4.826
  130    H    ASP  29           H        ASP  29   8.159   1.416  -4.427
  131    HA   ASP  29           HA       ASP  29  10.477  -0.305  -5.064
  132   1HB   ASP  29          2HB       ASP  29  11.492   2.036  -5.614
  133   2HB   ASP  29          1HB       ASP  29  10.273   1.372  -6.702
  134    H    LYS  30           H        LYS  30   9.221   0.579  -2.316
  135    HA   LYS  30           HA       LYS  30  10.182   0.580  -0.177
  136   1HB   LYS  30          2HB       LYS  30  12.778   1.361  -1.486
  137   2HB   LYS  30          1HB       LYS  30  12.556   0.700   0.129
  138   1HG   LYS  30          2HG       LYS  30  11.384  -1.250  -1.346
  139   2HG   LYS  30          1HG       LYS  30  12.598  -0.685  -2.495
  140   1HD   LYS  30          2HD       LYS  30  13.969  -0.796  -0.067
  141   2HD   LYS  30          1HD       LYS  30  12.955  -2.240  -0.054
  142   1HE   LYS  30          2HE       LYS  30  14.975  -2.888  -1.149
  143   2HE   LYS  30          1HE       LYS  30  13.787  -2.671  -2.435
  144   1HZ   LYS  30          3HZ       LYS  30  14.652  -0.363  -2.670
  145   2HZ   LYS  30          2HZ       LYS  30  15.903  -0.769  -1.596
  146   3HZ   LYS  30          1HZ       LYS  30  15.767  -1.570  -3.089
  147    H    THR  31           H        THR  31   8.659   2.589  -0.780
  148    HA   THR  31           HA       THR  31   9.985   4.898   0.418
  149    HB   THR  31           HB       THR  31   8.679   5.607  -2.134
  150    HG1  THR  31           HG1      THR  31  11.058   5.207  -2.903
  151   1HG2  THR  31          1HG2      THR  31  11.041   6.505  -0.496
  152   2HG2  THR  31          3HG2      THR  31  10.790   7.099  -2.138
  153   3HG2  THR  31          2HG2      THR  31   9.576   7.404  -0.895
  154    H    PHE  32           H        PHE  32   8.366   6.764   0.565
  155    HA   PHE  32           HA       PHE  32   5.530   6.105   0.339
  156   1HB   PHE  32          2HB       PHE  32   6.983   5.936   2.957
  157   2HB   PHE  32          1HB       PHE  32   5.349   6.602   2.945
  158    HD1  PHE  32           HD2      PHE  32   3.453   5.245   2.042
  159    HD2  PHE  32           HD1      PHE  32   7.380   3.600   2.602
  160    HE1  PHE  32           HE2      PHE  32   2.518   2.956   1.872
  161    HE2  PHE  32           HE1      PHE  32   6.444   1.310   2.433
  162    HZ   PHE  32           HZ       PHE  32   4.013   0.989   2.064
  163    H    GLU  33           H        GLU  33   4.218   8.019   0.788
  164    HA   GLU  33           HA       GLU  33   5.705  10.489   1.472
  165   1HB   GLU  33          2HB       GLU  33   5.185   9.783  -1.197
  166   2HB   GLU  33          1HB       GLU  33   3.966  10.991  -0.794
  167   1HG   GLU  33          2HG       GLU  33   5.525  12.595  -1.017
  168   2HG   GLU  33          1HG       GLU  33   6.405  11.890   0.340
  169    H    CYS  34           H        CYS  34   4.439  10.829   3.300
  170    HA   CYS  34           HA       CYS  34   1.580  10.501   3.386
  171   1HB   CYS  34          2HB       CYS  34   3.181  10.635   5.367
  172   2HB   CYS  34          1HB       CYS  34   3.239  12.373   5.094
  173    H    LEU  35           H        LEU  35   0.409  11.651   1.865
  174    HA   LEU  35           HA       LEU  35   1.171  14.356   1.080
  175   1HB   LEU  35          2HB       LEU  35  -1.465  13.007   0.487
  176   2HB   LEU  35          1HB       LEU  35  -0.631  14.237  -0.463
  177    HG   LEU  35           HG       LEU  35   1.137  12.009  -0.114
  178   1HD1  LEU  35           HD1      LEU  35  -1.694  11.357  -0.932
  179   2HD1  LEU  35           HD1      LEU  35  -0.331  10.406  -1.521
  180   3HD1  LEU  35           HD1      LEU  35  -0.657  10.502   0.210
  181   1HD2  LEU  35           HD2      LEU  35   0.087  13.756  -2.170
  182   2HD2  LEU  35           HD2      LEU  35   1.615  12.876  -2.141
  183   3HD2  LEU  35           HD2      LEU  35   0.159  12.096  -2.761
  184    H    PHE  36           H        PHE  36  -0.031  13.407   3.914
  185    HA   PHE  36           HA       PHE  36  -2.425  14.887   4.301
  186   1HB   PHE  36          2HB       PHE  36  -1.593  13.294   5.958
  187   2HB   PHE  36          1HB       PHE  36  -0.174  14.298   6.242
  188    HD1  PHE  36           HD2      PHE  36  -0.405  16.530   7.317
  189    HD2  PHE  36           HD1      PHE  36  -3.727  13.850   6.895
  190    HE1  PHE  36           HE2      PHE  36  -1.656  17.816   9.025
  191    HE2  PHE  36           HE1      PHE  36  -4.982  15.131   8.606
  192    HZ   PHE  36           HZ       PHE  36  -3.949  17.120   9.669
  193    HA   PRO  37           HA       PRO  37  -0.883  19.009   4.037
  194   1HB   PRO  37          2HB       PRO  37  -3.053  20.266   5.178
  195   2HB   PRO  37          1HB       PRO  37  -3.034  19.657   3.513
  196   1HG   PRO  37          2HG       PRO  37  -4.384  18.511   5.916
  197   2HG   PRO  37          1HG       PRO  37  -4.816  18.356   4.205
  198   1HD   PRO  37          2HD       PRO  37  -3.502  16.393   5.753
  199   2HD   PRO  37          1HD       PRO  37  -3.620  16.411   3.982
  200    H    GLY  38           H        GLY  38   0.767  19.442   5.411
  201   1HA   GLY  38          2HA       GLY  38   1.262  20.797   7.477
  202   2HA   GLY  38          1HA       GLY  38   0.138  19.724   8.322
  203    H    CYS  39           H        CYS  39   1.141  17.455   6.583
  204    HA   CYS  39           HA       CYS  39   3.149  16.464   8.409
  205   1HB   CYS  39          2HB       CYS  39   1.489  15.129   6.934
  206   2HB   CYS  39          1HB       CYS  39   2.659  15.373   5.638
  207    H    THR  40           H        THR  40   5.330  15.660   7.531
  208    HA   THR  40           HA       THR  40   6.469  17.050   5.250
  209    HB   THR  40           HB       THR  40   8.048  17.863   7.555
  210    HG1  THR  40           HG1      THR  40   6.227  18.145   8.692
  211   1HG2  THR  40          3HG2      THR  40   6.670  19.299   5.273
  212   2HG2  THR  40          2HG2      THR  40   7.745  20.093   6.424
  213   3HG2  THR  40          1HG2      THR  40   8.366  18.828   5.364
  214    H    LYS  41           H        LYS  41   6.239  14.314   6.476
  215    HA   LYS  41           HA       LYS  41   9.154  13.700   6.366
  216   1HB   LYS  41          2HB       LYS  41   8.674  11.934   8.179
  217   2HB   LYS  41          1HB       LYS  41   8.789  13.615   8.700
  218   1HG   LYS  41          2HG       LYS  41   6.178  13.593   8.219
  219   2HG   LYS  41          1HG       LYS  41   6.374  11.860   8.480
  220   1HD   LYS  41          2HD       LYS  41   7.406  13.956  10.407
  221   2HD   LYS  41          1HD       LYS  41   5.830  13.180  10.572
  222   1HE   LYS  41          2HE       LYS  41   7.353  10.982  10.260
  223   2HE   LYS  41          1HE       LYS  41   8.552  12.051  10.989
  224   1HZ   LYS  41          2HZ       LYS  41   5.861  11.863  12.160
  225   2HZ   LYS  41          1HZ       LYS  41   7.006  10.652  12.493
  226   3HZ   LYS  41          3HZ       LYS  41   7.334  12.264  12.907
  227    H    THR  42           H        THR  42   9.524  12.179   4.861
  228    HA   THR  42           HA       THR  42   7.257  10.478   3.937
  229    HB   THR  42           HB       THR  42   8.363  10.293   1.894
  230    HG1  THR  42           HG1      THR  42  10.438   9.981   1.786
  231   1HG2  THR  42          3HG2      THR  42   7.805  12.676   2.403
  232   2HG2  THR  42          2HG2      THR  42   9.460  12.903   2.970
  233   3HG2  THR  42          1HG2      THR  42   9.153  12.508   1.279
  234    H    PHE  43           H        PHE  43   8.180   8.163   3.196
  235    HA   PHE  43           HA       PHE  43  10.269   7.184   5.040
  236   1HB   PHE  43          2HB       PHE  43   7.760   5.597   5.144
  237   2HB   PHE  43          1HB       PHE  43   8.957   5.891   6.402
  238    HD1  PHE  43           HD1      PHE  43   6.371   7.724   4.389
  239    HD2  PHE  43           HD2      PHE  43   8.433   7.358   8.140
  240    HE1  PHE  43           HE1      PHE  43   4.922   9.488   5.357
  241    HE2  PHE  43           HE2      PHE  43   6.983   9.121   9.108
  242    HZ   PHE  43           HZ       PHE  43   5.226  10.184   7.717
  243    H    LYS  44           H        LYS  44   9.979   4.503   4.771
  244    HA   LYS  44           HA       LYS  44   9.374   3.719   2.028
  245   1HB   LYS  44          2HB       LYS  44  11.787   2.980   1.612
  246   2HB   LYS  44          1HB       LYS  44  11.489   4.715   1.504
  247   1HG   LYS  44          2HG       LYS  44  12.113   3.867   4.231
  248   2HG   LYS  44          1HG       LYS  44  13.412   3.491   3.099
  249   1HD   LYS  44          2HD       LYS  44  13.064   5.921   2.238
  250   2HD   LYS  44          1HD       LYS  44  12.218   6.174   3.765
  251   1HE   LYS  44          2HE       LYS  44  14.149   6.212   4.938
  252   2HE   LYS  44          1HE       LYS  44  14.747   4.762   4.132
  253   1HZ   LYS  44          1HZ       LYS  44  14.672   7.296   2.651
  254   2HZ   LYS  44          3HZ       LYS  44  15.919   7.038   3.771
  255   3HZ   LYS  44          2HZ       LYS  44  15.717   5.969   2.466
  256    H    ARG  45           H        ARG  45   8.409   1.782   2.516
  257    HA   ARG  45           HA       ARG  45   9.850  -0.445   3.490
  258   1HB   ARG  45          2HB       ARG  45   9.956   0.719   5.633
  259   2HB   ARG  45          1HB       ARG  45   8.208   0.951   5.624
  260   1HG   ARG  45          2HG       ARG  45   8.387  -0.951   6.950
  261   2HG   ARG  45          1HG       ARG  45   8.177  -1.679   5.358
  262   1HD   ARG  45          2HD       ARG  45  10.124  -2.762   5.695
  263   2HD   ARG  45          1HD       ARG  45  10.932  -1.199   5.566
  264    HE   ARG  45           HE       ARG  45  11.288  -1.281   7.891
  265   1HH1  ARG  45           HH2      ARG  45   9.912  -4.169   7.029
  266   2HH1  ARG  45           HH2      ARG  45   9.162  -4.494   8.555
  267   1HH2  ARG  45           HH1      ARG  45   9.803  -1.339   9.840
  268   2HH2  ARG  45           HH1      ARG  45   9.099  -2.891  10.146
  269    H    ARG  46           H        ARG  46   6.738  -0.032   5.013
  270    HA   ARG  46           HA       ARG  46   5.266  -1.096   2.702
  271   1HB   ARG  46          2HB       ARG  46   6.014  -2.762   5.088
  272   2HB   ARG  46          1HB       ARG  46   4.490  -3.062   4.255
  273   1HG   ARG  46          2HG       ARG  46   6.134  -2.912   2.119
  274   2HG   ARG  46          1HG       ARG  46   7.276  -3.512   3.323
  275   1HD   ARG  46          2HD       ARG  46   5.033  -5.054   3.801
  276   2HD   ARG  46          1HD       ARG  46   5.021  -4.887   2.045
  277    HE   ARG  46           HE       ARG  46   7.629  -5.553   2.536
  278   1HH1  ARG  46           HH2      ARG  46   5.610  -6.669   4.864
  279   2HH1  ARG  46           HH2      ARG  46   5.733  -8.351   4.469
  280   1HH2  ARG  46           HH1      ARG  46   7.363  -7.795   1.459
  281   2HH2  ARG  46           HH1      ARG  46   6.727  -8.988   2.541
  282    H    TYR  47           H        TYR  47   4.179  -1.935   5.897
  283    HA   TYR  47           HA       TYR  47   2.138   0.227   5.694
  284   1HB   TYR  47          2HB       TYR  47   1.430  -1.633   7.723
  285   2HB   TYR  47          1HB       TYR  47   0.650  -1.407   6.160
  286    HD1  TYR  47           HD1      TYR  47   3.255  -3.293   7.996
  287    HD2  TYR  47           HD2      TYR  47   1.044  -2.903   4.338
  288    HE1  TYR  47           HE1      TYR  47   4.089  -5.515   7.255
  289    HE2  TYR  47           HE2      TYR  47   1.873  -5.124   3.592
  290    HH   TYR  47           HH       TYR  47   3.169  -7.356   5.580
  291    H    ASN  48           H        ASN  48   4.551   1.093   6.674
  292    HA   ASN  48           HA       ASN  48   4.206   0.963   9.612
  293   1HB   ASN  48          2HB       ASN  48   6.557   1.460   7.822
  294   2HB   ASN  48          1HB       ASN  48   6.565   2.167   9.439
  295   1HD2  ASN  48           HD2      ASN  48   5.980  -1.860   9.682
  296   2HD2  ASN  48           HD2      ASN  48   4.880  -0.878   8.842
  297    H    ILE  49           H        ILE  49   5.029   3.307   7.069
  298    HA   ILE  49           HA       ILE  49   4.577   5.608   8.697
  299    HB   ILE  49           HB       ILE  49   5.281   6.722   6.876
  300   1HG1  ILE  49          2HG1      ILE  49   2.813   6.887   6.290
  301   2HG1  ILE  49          1HG1      ILE  49   3.926   7.064   4.935
  302   1HG2  ILE  49          1HG2      ILE  49   5.008   4.098   5.393
  303   2HG2  ILE  49          3HG2      ILE  49   5.932   5.494   4.844
  304   3HG2  ILE  49          2HG2      ILE  49   6.423   4.631   6.302
  305   1HD1  ILE  49           HD1      ILE  49   3.392   4.287   5.239
  306   2HD1  ILE  49           HD1      ILE  49   1.844   5.133   5.276
  307   3HD1  ILE  49           HD1      ILE  49   2.930   5.342   3.903
  308    H    ARG  50           H        ARG  50   2.413   3.515   6.897
  309    HA   ARG  50           HA       ARG  50   0.080   5.080   6.823
  310   1HB   ARG  50          2HB       ARG  50   0.490   2.598   6.074
  311   2HB   ARG  50          1HB       ARG  50  -0.045   2.202   7.708
  312   1HG   ARG  50          2HG       ARG  50  -1.885   4.108   6.782
  313   2HG   ARG  50          1HG       ARG  50  -1.626   3.023   5.416
  314   1HD   ARG  50          2HD       ARG  50  -2.072   1.894   8.168
  315   2HD   ARG  50          1HD       ARG  50  -3.448   2.408   7.190
  316    HE   ARG  50           HE       ARG  50  -1.737   0.721   5.624
  317   1HH1  ARG  50           HH2      ARG  50  -2.457  -0.254   8.622
  318   2HH1  ARG  50           HH2      ARG  50  -3.630  -1.459   8.204
  319   1HH2  ARG  50           HH1      ARG  50  -3.906  -0.423   4.905
  320   2HH2  ARG  50           HH1      ARG  50  -4.450  -1.555   6.098
  321    H    SER  51           H        SER  51   1.432   3.173   9.510
  322    HA   SER  51           HA       SER  51  -0.673   3.848  11.369
  323   1HB   SER  51          2HB       SER  51   0.886   1.938  11.720
  324   2HB   SER  51          1HB       SER  51   2.214   3.078  11.921
  325    HG   SER  51           HG       SER  51   0.519   2.219  13.747
  326    H    HIS  52           H        HIS  52   2.369   5.320  10.395
  327    HA   HIS  52           HA       HIS  52   2.631   7.256  12.440
  328   1HB   HIS  52          2HB       HIS  52   4.483   7.464  11.117
  329   2HB   HIS  52          1HB       HIS  52   3.634   6.871   9.696
  330    HD1  HIS  52           HD1      HIS  52   5.258   9.810  10.850
  331    HD2  HIS  52           HD2      HIS  52   1.739   9.134   8.731
  332    HE1  HIS  52           HE1      HIS  52   4.650  12.006   9.744
  333    H    ILE  53           H        ILE  53   0.667   7.309   9.490
  334    HA   ILE  53           HA       ILE  53  -0.301  10.001   9.929
  335    HB   ILE  53           HB       ILE  53  -1.634   7.728   8.407
  336   1HG1  ILE  53          2HG1      ILE  53   0.323   9.844   7.459
  337   2HG1  ILE  53          1HG1      ILE  53   0.647   8.113   7.577
  338   1HG2  ILE  53          3HG2      ILE  53  -1.975  10.729   8.439
  339   2HG2  ILE  53          2HG2      ILE  53  -2.548   9.731   7.101
  340   3HG2  ILE  53          1HG2      ILE  53  -3.197   9.489   8.723
  341   1HD1  ILE  53           HD1      ILE  53  -1.208   7.692   5.965
  342   2HD1  ILE  53           HD1      ILE  53  -1.422   9.435   5.794
  343   3HD1  ILE  53           HD1      ILE  53   0.080   8.674   5.268
  344    H    GLN  54           H        GLN  54  -1.890   6.832  10.326
  345    HA   GLN  54           HA       GLN  54  -4.211   7.606  11.598
  346   1HB   GLN  54          2HB       GLN  54  -2.569   5.200  11.576
  347   2HB   GLN  54          1HB       GLN  54  -3.393   5.410  13.121
  348   1HG   GLN  54          2HG       GLN  54  -5.329   4.743  12.194
  349   2HG   GLN  54          1HG       GLN  54  -5.232   6.059  11.024
  350   1HE2  GLN  54          2HE2      GLN  54  -3.262   3.818   8.756
  351   2HE2  GLN  54          1HE2      GLN  54  -2.947   5.289   9.543
  352    H    THR  55           H        THR  55  -0.957   7.811  12.897
  353    HA   THR  55           HA       THR  55  -1.968   8.280  15.607
  354    HB   THR  55           HB       THR  55   0.348   8.667  16.213
  355    HG1  THR  55           HG1      THR  55   1.073   9.927  14.576
  356   1HG2  THR  55          2HG2      THR  55  -0.399   6.385  14.504
  357   2HG2  THR  55          1HG2      THR  55   1.338   6.639  14.666
  358   3HG2  THR  55          3HG2      THR  55   0.344   6.399  16.103
  359    H    HIS  56           H        HIS  56  -0.437  10.245  13.065
  360    HA   HIS  56           HA       HIS  56  -1.357  12.653  14.492
  361   1HB   HIS  56          2HB       HIS  56   0.383  13.729  13.551
  362   2HB   HIS  56          1HB       HIS  56   1.000  12.115  13.284
  363    HD1  HIS  56           HD1      HIS  56  -0.801  14.910  11.432
  364    HD2  HIS  56           HD2      HIS  56   1.358  11.454  10.634
  365    HE1  HIS  56           HE1      HIS  56  -0.025  15.081   9.017
  366    H    LEU  57           H        LEU  57  -3.076  10.717  13.107
  367    HA   LEU  57           HA       LEU  57  -4.495  12.647  11.359
  368   1HB   LEU  57          2HB       LEU  57  -3.195  10.628  10.209
  369   2HB   LEU  57          1HB       LEU  57  -4.634   9.733  10.705
  370    HG   LEU  57           HG       LEU  57  -5.916  11.774   9.666
  371   1HD1  LEU  57           HD1      LEU  57  -3.381  12.696   9.294
  372   2HD1  LEU  57           HD1      LEU  57  -3.668  11.907   7.743
  373   3HD1  LEU  57           HD1      LEU  57  -4.755  13.179   8.299
  374   1HD2  LEU  57           HD2      LEU  57  -5.228   9.236   8.782
  375   2HD2  LEU  57           HD2      LEU  57  -6.401  10.304   8.010
  376   3HD2  LEU  57           HD2      LEU  57  -4.731  10.271   7.443
  377    H    GLU  58           H        GLU  58  -4.574   9.993  13.679
  378    HA   GLU  58           HA       GLU  58  -7.419   9.563  13.625
  379   1HB   GLU  58          2HB       GLU  58  -5.873   7.953  14.657
  380   2HB   GLU  58          1HB       GLU  58  -5.417   9.152  15.868
  381   1HG   GLU  58          2HG       GLU  58  -7.454   9.016  16.973
  382   2HG   GLU  58          1HG       GLU  58  -8.318   8.484  15.530
  383    H    ASP  59           H        ASP  59  -5.714  10.935  16.436
  384    HA   ASP  59           HA       ASP  59  -7.879  12.997  16.579
  385   1HB   ASP  59          2HB       ASP  59  -6.756  11.165  18.589
  386   2HB   ASP  59          1HB       ASP  59  -6.845  12.842  19.128
  387    H    ARG  60           H        ARG  60  -5.514  13.431  15.079
  388    HA   ARG  60           HA       ARG  60  -4.337  15.652  16.666
  389   1HB   ARG  60          2HB       ARG  60  -2.955  13.282  16.265
  390   2HB   ARG  60          1HB       ARG  60  -2.369  14.311  14.958
  391   1HG   ARG  60          2HG       ARG  60  -2.584  15.497  17.696
  392   2HG   ARG  60          1HG       ARG  60  -1.246  14.396  17.366
  393   1HD   ARG  60          2HD       ARG  60  -0.156  16.072  16.339
  394   2HD   ARG  60          1HD       ARG  60  -1.439  16.134  15.132
  395    HE   ARG  60           HE       ARG  60  -2.041  18.177  16.116
  396   1HH1  ARG  60           HH2      ARG  60   0.141  16.689  18.206
  397   2HH1  ARG  60           HH2      ARG  60  -0.428  17.480  19.639
  398   1HH2  ARG  60           HH1      ARG  60  -3.167  18.922  18.077
  399   2HH2  ARG  60           HH1      ARG  60  -2.300  18.743  19.565
   
  No H/Q in entry =         399
  Start of MODEL   34
    1   1H    THR  14          1H        THR  14 -19.475   1.117  12.212
    2   2H    THR  14          3H        THR  14 -20.185   2.422  13.030
    3   3H    THR  14          2H        THR  14 -21.073   1.572  11.857
    4    HA   THR  14           HA       THR  14 -19.775   2.402  10.095
    5    HB   THR  14           HB       THR  14 -19.719   4.984  11.298
    6    HG1  THR  14           HG1      THR  14 -21.906   3.359  12.085
    7   1HG2  THR  14          3HG2      THR  14 -20.472   4.417   9.012
    8   2HG2  THR  14          2HG2      THR  14 -21.871   3.583   9.687
    9   3HG2  THR  14          1HG2      THR  14 -21.704   5.327   9.885
   10    H    LEU  15           H        LEU  15 -17.684   1.198  11.112
   11    HA   LEU  15           HA       LEU  15 -15.715   2.802  12.423
   12   1HB   LEU  15          2HB       LEU  15 -14.102   1.091  11.603
   13   2HB   LEU  15          1HB       LEU  15 -15.530   0.362  12.337
   14    HG   LEU  15           HG       LEU  15 -16.106   0.795   9.577
   15   1HD1  LEU  15           HD1      LEU  15 -13.329   0.383  10.001
   16   2HD1  LEU  15           HD1      LEU  15 -13.983  -1.137   9.389
   17   3HD1  LEU  15           HD1      LEU  15 -14.200   0.352   8.467
   18   1HD2  LEU  15           HD2      LEU  15 -16.781  -1.014  11.380
   19   2HD2  LEU  15           HD2      LEU  15 -16.731  -1.450   9.673
   20   3HD2  LEU  15           HD2      LEU  15 -15.391  -1.884  10.733
   21    HA   PRO  16           HA       PRO  16 -14.596   5.348   8.964
   22   1HB   PRO  16          2HB       PRO  16 -12.479   6.595  10.196
   23   2HB   PRO  16          1HB       PRO  16 -14.174   7.010  10.507
   24   1HG   PRO  16          2HG       PRO  16 -12.269   5.493  12.227
   25   2HG   PRO  16          1HG       PRO  16 -13.688   6.445  12.693
   26   1HD   PRO  16          2HD       PRO  16 -13.564   3.619  12.514
   27   2HD   PRO  16          1HD       PRO  16 -15.040   4.596  12.672
   28    H    ARG  17           H        ARG  17 -12.949   5.353   7.350
   29    HA   ARG  17           HA       ARG  17 -10.347   4.187   7.720
   30   1HB   ARG  17          2HB       ARG  17 -10.868   2.207   6.114
   31   2HB   ARG  17          1HB       ARG  17 -11.312   2.038   7.813
   32   1HG   ARG  17          2HG       ARG  17 -13.521   1.969   7.335
   33   2HG   ARG  17          1HG       ARG  17 -13.401   3.338   6.228
   34   1HD   ARG  17          2HD       ARG  17 -12.503   0.531   5.528
   35   2HD   ARG  17          1HD       ARG  17 -14.089   1.183   5.117
   36    HE   ARG  17           HE       ARG  17 -12.299   3.054   4.109
   37   1HH1  ARG  17           HH2      ARG  17 -11.543  -0.201   4.084
   38   2HH1  ARG  17           HH2      ARG  17 -11.492  -0.364   2.360
   39   1HH2  ARG  17           HH1      ARG  17 -12.783   2.797   1.757
   40   2HH2  ARG  17           HH1      ARG  17 -12.194   1.334   1.043
   41    H    GLY  18           H        GLY  18 -11.612   6.505   6.482
   42   1HA   GLY  18          2HA       GLY  18 -10.672   6.084   3.673
   43   2HA   GLY  18          1HA       GLY  18 -12.070   7.095   4.043
   44    H    SER  19           H        SER  19  -9.441   7.171   6.281
   45    HA   SER  19           HA       SER  19  -8.669   9.845   5.214
   46   1HB   SER  19          2HB       SER  19  -8.586   8.849   8.075
   47   2HB   SER  19          1HB       SER  19  -8.116  10.457   7.534
   48    HG   SER  19           HG       SER  19 -10.683   9.265   7.259
   49    H    ILE  20           H        ILE  20  -7.549   6.746   6.393
   50    HA   ILE  20           HA       ILE  20  -4.758   7.473   6.601
   51    HB   ILE  20           HB       ILE  20  -5.691   4.683   5.983
   52   1HG1  ILE  20          2HG1      ILE  20  -7.315   5.352   7.605
   53   2HG1  ILE  20          1HG1      ILE  20  -6.068   4.493   8.510
   54   1HG2  ILE  20          1HG2      ILE  20  -3.260   5.306   6.311
   55   2HG2  ILE  20          3HG2      ILE  20  -3.665   5.737   7.972
   56   3HG2  ILE  20          2HG2      ILE  20  -3.857   4.073   7.421
   57   1HD1  ILE  20           HD1      ILE  20  -5.045   6.983   8.624
   58   2HD1  ILE  20           HD1      ILE  20  -6.757   7.386   8.517
   59   3HD1  ILE  20           HD1      ILE  20  -6.172   6.365   9.831
   60    H    ASP  21           H        ASP  21  -6.402   5.403   4.206
   61    HA   ASP  21           HA       ASP  21  -4.227   5.517   2.333
   62   1HB   ASP  21          2HB       ASP  21  -7.060   4.581   2.275
   63   2HB   ASP  21          1HB       ASP  21  -6.277   4.886   0.725
   64    H    LYS  22           H        LYS  22  -6.623   7.792   3.182
   65    HA   LYS  22           HA       LYS  22  -6.831   9.117   0.603
   66   1HB   LYS  22          2HB       LYS  22  -8.321   9.248   2.847
   67   2HB   LYS  22          1HB       LYS  22  -7.293  10.658   3.108
   68   1HG   LYS  22          2HG       LYS  22  -7.891  11.477   0.831
   69   2HG   LYS  22          1HG       LYS  22  -8.992  10.109   0.657
   70   1HD   LYS  22          2HD       LYS  22 -10.591  11.226   1.773
   71   2HD   LYS  22          1HD       LYS  22  -9.522  11.394   3.166
   72   1HE   LYS  22          2HE       LYS  22  -8.548  13.227   1.273
   73   2HE   LYS  22          1HE       LYS  22 -10.304  13.391   1.213
   74   1HZ   LYS  22          1HZ       LYS  22 -10.269  13.552   3.669
   75   2HZ   LYS  22          3HZ       LYS  22  -8.573  13.583   3.616
   76   3HZ   LYS  22          2HZ       LYS  22  -9.467  14.835   2.894
   77    H    TYR  23           H        TYR  23  -4.277   8.799   2.696
   78    HA   TYR  23           HA       TYR  23  -2.907  11.098   1.476
   79   1HB   TYR  23          2HB       TYR  23  -3.457  10.869   4.435
   80   2HB   TYR  23          1HB       TYR  23  -2.077  11.782   3.823
   81    HD1  TYR  23           HD2      TYR  23  -3.041  13.031   1.401
   82    HD2  TYR  23           HD1      TYR  23  -5.094  12.394   5.119
   83    HE1  TYR  23           HE2      TYR  23  -4.530  14.950   0.906
   84    HE2  TYR  23           HE1      TYR  23  -6.583  14.313   4.626
   85    HH   TYR  23           HH       TYR  23  -6.058  16.367   1.791
   86    H    VAL  24           H        VAL  24  -2.491   8.345   1.100
   87    HA   VAL  24           HA       VAL  24   0.126   7.966   2.503
   88    HB   VAL  24           HB       VAL  24  -1.924   5.888   1.686
   89   1HG1  VAL  24          1HG1      VAL  24   0.940   5.697   1.866
   90   2HG1  VAL  24          3HG1      VAL  24   0.216   4.757   3.171
   91   3HG1  VAL  24          2HG1      VAL  24  -0.225   4.426   1.495
   92   1HG2  VAL  24          1HG2      VAL  24  -1.632   7.372   4.028
   93   2HG2  VAL  24          3HG2      VAL  24  -2.514   5.852   3.872
   94   3HG2  VAL  24          2HG2      VAL  24  -0.830   5.845   4.398
   95    H    LYS  25           H        LYS  25   1.690   8.349   1.004
   96    HA   LYS  25           HA       LYS  25   1.172   7.642  -1.836
   97   1HB   LYS  25          2HB       LYS  25   2.212   9.894  -0.956
   98   2HB   LYS  25          1HB       LYS  25   3.696   8.948  -0.855
   99   1HG   LYS  25          2HG       LYS  25   3.535   8.363  -3.217
  100   2HG   LYS  25          1HG       LYS  25   1.980   9.186  -3.343
  101   1HD   LYS  25          2HD       LYS  25   2.995  11.332  -2.916
  102   2HD   LYS  25          1HD       LYS  25   4.539  10.578  -2.517
  103   1HE   LYS  25          2HE       LYS  25   5.047  10.120  -4.725
  104   2HE   LYS  25          1HE       LYS  25   3.353  10.001  -5.198
  105   1HZ   LYS  25          1HZ       LYS  25   3.220  12.452  -4.775
  106   2HZ   LYS  25          3HZ       LYS  25   4.912  12.460  -4.647
  107   3HZ   LYS  25          2HZ       LYS  25   4.173  12.000  -6.106
  108    H    GLU  26           H        GLU  26   1.303   5.295  -1.118
  109    HA   GLU  26           HA       GLU  26   3.826   4.220  -0.214
  110   1HB   GLU  26          2HB       GLU  26   2.850   2.039  -0.719
  111   2HB   GLU  26          1HB       GLU  26   1.639   3.051   0.071
  112   1HG   GLU  26          2HG       GLU  26   0.320   2.462  -1.686
  113   2HG   GLU  26          1HG       GLU  26   1.236   3.691  -2.560
  114    H    MET  27           H        MET  27   5.629   4.316  -1.452
  115    HA   MET  27           HA       MET  27   5.374   4.236  -4.401
  116   1HB   MET  27          2HB       MET  27   7.807   4.686  -2.645
  117   2HB   MET  27          1HB       MET  27   7.756   4.860  -4.401
  118   1HG   MET  27          2HG       MET  27   6.232   6.503  -2.361
  119   2HG   MET  27          1HG       MET  27   7.515   7.064  -3.433
  120   1HE   MET  27          3HE       MET  27   7.535   7.435  -5.584
  121   2HE   MET  27          2HE       MET  27   6.185   7.711  -6.683
  122   3HE   MET  27          1HE       MET  27   6.444   8.802  -5.323
  123    HA   PRO  28           HA       PRO  28   6.269  -0.133  -3.985
  124   1HB   PRO  28          2HB       PRO  28   5.942  -0.690  -6.664
  125   2HB   PRO  28          1HB       PRO  28   4.602  -0.557  -5.512
  126   1HG   PRO  28          2HG       PRO  28   5.504   1.402  -7.583
  127   2HG   PRO  28          1HG       PRO  28   3.879   1.127  -6.928
  128   1HD   PRO  28          2HD       PRO  28   5.570   3.241  -6.193
  129   2HD   PRO  28          1HD       PRO  28   4.177   2.671  -5.248
  130    H    ASP  29           H        ASP  29   8.047   2.323  -5.400
  131    HA   ASP  29           HA       ASP  29  10.077   0.613  -6.652
  132   1HB   ASP  29          2HB       ASP  29  11.212   2.654  -7.201
  133   2HB   ASP  29          1HB       ASP  29   9.493   2.975  -7.432
  134    H    LYS  30           H        LYS  30   9.480   2.260  -3.628
  135    HA   LYS  30           HA       LYS  30  10.610   0.988  -1.720
  136   1HB   LYS  30          2HB       LYS  30  12.911   1.753  -3.475
  137   2HB   LYS  30          1HB       LYS  30  13.144   1.830  -1.734
  138   1HG   LYS  30          2HG       LYS  30  11.921  -0.584  -1.927
  139   2HG   LYS  30          1HG       LYS  30  12.775  -0.546  -3.469
  140   1HD   LYS  30          2HD       LYS  30  14.617   0.436  -1.592
  141   2HD   LYS  30          1HD       LYS  30  13.845  -0.942  -0.806
  142   1HE   LYS  30          2HE       LYS  30  15.105  -0.959  -3.565
  143   2HE   LYS  30          1HE       LYS  30  15.800  -1.676  -2.112
  144   1HZ   LYS  30          2HZ       LYS  30  13.365  -2.773  -2.131
  145   2HZ   LYS  30          1HZ       LYS  30  13.652  -2.630  -3.799
  146   3HZ   LYS  30          3HZ       LYS  30  14.735  -3.498  -2.825
  147    H    THR  31           H        THR  31   9.011   3.051  -1.622
  148    HA   THR  31           HA       THR  31  10.365   4.930   0.130
  149    HB   THR  31           HB       THR  31  10.905   6.530  -1.351
  150    HG1  THR  31           HG1      THR  31   9.225   7.759  -1.369
  151   1HG2  THR  31          2HG2      THR  31   9.557   4.676  -3.306
  152   2HG2  THR  31          1HG2      THR  31  10.233   6.223  -3.819
  153   3HG2  THR  31          3HG2      THR  31  11.280   4.997  -3.106
  154    H    PHE  32           H        PHE  32   8.680   6.876   0.508
  155    HA   PHE  32           HA       PHE  32   5.873   6.142   0.213
  156   1HB   PHE  32          2HB       PHE  32   7.366   5.386   2.630
  157   2HB   PHE  32          1HB       PHE  32   5.939   6.365   2.972
  158    HD1  PHE  32           HD1      PHE  32   7.165   3.199   1.539
  159    HD2  PHE  32           HD2      PHE  32   3.695   5.560   2.448
  160    HE1  PHE  32           HE1      PHE  32   5.722   1.221   1.158
  161    HE2  PHE  32           HE2      PHE  32   2.250   3.581   2.068
  162    HZ   PHE  32           HZ       PHE  32   3.263   1.411   1.423
  163    H    GLU  33           H        GLU  33   4.539   7.961   0.684
  164    HA   GLU  33           HA       GLU  33   5.867  10.319   1.900
  165   1HB   GLU  33          2HB       GLU  33   5.984  10.172  -0.751
  166   2HB   GLU  33          1HB       GLU  33   4.333  10.777  -0.624
  167   1HG   GLU  33          2HG       GLU  33   5.472  12.464   1.100
  168   2HG   GLU  33          1HG       GLU  33   6.900  12.104   0.130
  169    H    CYS  34           H        CYS  34   4.443  10.427   3.616
  170    HA   CYS  34           HA       CYS  34   1.642   9.945   3.542
  171   1HB   CYS  34          2HB       CYS  34   3.092  10.225   5.599
  172   2HB   CYS  34          1HB       CYS  34   3.089  11.958   5.293
  173    H    LEU  35           H        LEU  35   0.386  10.972   2.005
  174    HA   LEU  35           HA       LEU  35   0.997  13.635   1.041
  175   1HB   LEU  35          2HB       LEU  35  -1.575  12.085   0.675
  176   2HB   LEU  35          1HB       LEU  35  -0.974  13.400  -0.330
  177    HG   LEU  35           HG       LEU  35   1.100  11.472  -0.195
  178   1HD1  LEU  35           HD1      LEU  35  -1.648  10.301  -0.697
  179   2HD1  LEU  35           HD1      LEU  35  -0.156   9.530  -1.237
  180   3HD1  LEU  35           HD1      LEU  35  -0.453   9.766   0.485
  181   1HD2  LEU  35           HD2      LEU  35  -0.893  12.137  -2.388
  182   2HD2  LEU  35           HD2      LEU  35   0.620  12.988  -2.077
  183   3HD2  LEU  35           HD2      LEU  35   0.648  11.314  -2.629
  184    H    PHE  36           H        PHE  36  -0.145  12.872   3.997
  185    HA   PHE  36           HA       PHE  36  -2.507  14.430   4.301
  186   1HB   PHE  36          2HB       PHE  36  -1.597  12.916   6.051
  187   2HB   PHE  36          1HB       PHE  36  -0.259  14.037   6.299
  188    HD1  PHE  36           HD2      PHE  36  -0.793  16.437   7.020
  189    HD2  PHE  36           HD1      PHE  36  -3.682  13.265   7.079
  190    HE1  PHE  36           HE2      PHE  36  -2.201  17.750   8.584
  191    HE2  PHE  36           HE1      PHE  36  -5.092  14.579   8.644
  192    HZ   PHE  36           HZ       PHE  36  -4.352  16.820   9.395
  193    HA   PRO  37           HA       PRO  37  -0.868  18.474   3.675
  194   1HB   PRO  37          2HB       PRO  37  -2.966  19.881   4.774
  195   2HB   PRO  37          1HB       PRO  37  -3.012  19.150   3.161
  196   1HG   PRO  37          2HG       PRO  37  -4.310  18.218   5.685
  197   2HG   PRO  37          1HG       PRO  37  -4.819  17.975   4.005
  198   1HD   PRO  37          2HD       PRO  37  -3.536  16.051   5.606
  199   2HD   PRO  37          1HD       PRO  37  -3.672  15.991   3.837
  200    H    GLY  38           H        GLY  38   0.798  19.113   4.946
  201   1HA   GLY  38          2HA       GLY  38   1.448  20.526   6.875
  202   2HA   GLY  38          1HA       GLY  38   0.240  19.659   7.831
  203    H    CYS  39           H        CYS  39   1.106  17.133   6.327
  204    HA   CYS  39           HA       CYS  39   2.934  16.155   8.319
  205   1HB   CYS  39          2HB       CYS  39   1.321  14.790   6.903
  206   2HB   CYS  39          1HB       CYS  39   2.466  14.967   5.575
  207    H    THR  40           H        THR  40   5.133  15.245   7.763
  208    HA   THR  40           HA       THR  40   6.534  16.405   5.473
  209    HB   THR  40           HB       THR  40   7.406  17.231   8.255
  210    HG1  THR  40           HG1      THR  40   6.683  19.337   7.392
  211   1HG2  THR  40          2HG2      THR  40   8.316  17.851   5.445
  212   2HG2  THR  40          1HG2      THR  40   8.712  18.908   6.801
  213   3HG2  THR  40          3HG2      THR  40   9.271  17.235   6.794
  214    H    LYS  41           H        LYS  41   6.033  13.734   6.508
  215    HA   LYS  41           HA       LYS  41   8.864  12.919   7.025
  216   1HB   LYS  41          2HB       LYS  41   6.508  12.455   8.654
  217   2HB   LYS  41          1HB       LYS  41   7.215  10.927   8.128
  218   1HG   LYS  41          2HG       LYS  41   9.142  11.249   9.320
  219   2HG   LYS  41          1HG       LYS  41   9.132  12.994   9.058
  220   1HD   LYS  41          2HD       LYS  41   7.030  11.743  10.804
  221   2HD   LYS  41          1HD       LYS  41   8.637  12.057  11.459
  222   1HE   LYS  41          2HE       LYS  41   8.461  14.392  11.065
  223   2HE   LYS  41          1HE       LYS  41   7.072  14.186   9.998
  224   1HZ   LYS  41          2HZ       LYS  41   7.053  13.483  12.880
  225   2HZ   LYS  41          1HZ       LYS  41   6.517  14.976  12.271
  226   3HZ   LYS  41          3HZ       LYS  41   5.722  13.546  11.825
  227    H    THR  42           H        THR  42   9.602  11.450   5.566
  228    HA   THR  42           HA       THR  42   7.573   9.951   3.951
  229    HB   THR  42           HB       THR  42   8.845  10.251   2.015
  230    HG1  THR  42           HG1      THR  42  10.891   9.920   2.230
  231   1HG2  THR  42          1HG2      THR  42   8.102  12.476   3.412
  232   2HG2  THR  42          3HG2      THR  42   9.815  12.800   3.143
  233   3HG2  THR  42          2HG2      THR  42   8.746  12.509   1.770
  234    H    PHE  43           H        PHE  43   8.023   7.739   3.581
  235    HA   PHE  43           HA       PHE  43  10.473   6.670   4.920
  236   1HB   PHE  43          2HB       PHE  43   7.999   5.022   5.053
  237   2HB   PHE  43          1HB       PHE  43   9.291   5.208   6.239
  238    HD1  PHE  43           HD1      PHE  43   6.509   7.157   4.644
  239    HD2  PHE  43           HD2      PHE  43   8.907   6.508   8.148
  240    HE1  PHE  43           HE1      PHE  43   5.120   8.786   5.894
  241    HE2  PHE  43           HE2      PHE  43   7.517   8.138   9.399
  242    HZ   PHE  43           HZ       PHE  43   5.623   9.275   8.271
  243    H    LYS  44           H        LYS  44   9.712   3.926   4.367
  244    HA   LYS  44           HA       LYS  44   9.589   3.873   1.391
  245   1HB   LYS  44          2HB       LYS  44  11.643   2.387   3.062
  246   2HB   LYS  44          1HB       LYS  44  11.465   2.288   1.310
  247   1HG   LYS  44          2HG       LYS  44  12.676   4.164   1.018
  248   2HG   LYS  44          1HG       LYS  44  11.658   5.053   2.152
  249   1HD   LYS  44          2HD       LYS  44  12.954   4.315   4.031
  250   2HD   LYS  44          1HD       LYS  44  13.832   3.146   3.045
  251   1HE   LYS  44          2HE       LYS  44  13.942   6.010   2.210
  252   2HE   LYS  44          1HE       LYS  44  14.870   5.538   3.633
  253   1HZ   LYS  44          1HZ       LYS  44  15.030   3.898   1.201
  254   2HZ   LYS  44          3HZ       LYS  44  15.911   5.345   1.280
  255   3HZ   LYS  44          2HZ       LYS  44  16.183   4.123   2.428
  256    H    ARG  45           H        ARG  45   9.871   1.151   1.018
  257    HA   ARG  45           HA       ARG  45   7.368   0.070   1.457
  258   1HB   ARG  45          2HB       ARG  45   9.620  -0.903   0.339
  259   2HB   ARG  45          1HB       ARG  45   9.625  -1.834   1.838
  260   1HG   ARG  45          2HG       ARG  45   7.112  -2.278   1.284
  261   2HG   ARG  45          1HG       ARG  45   7.563  -1.801  -0.354
  262   1HD   ARG  45          2HD       ARG  45   8.825  -3.678  -0.698
  263   2HD   ARG  45          1HD       ARG  45   9.375  -3.739   0.976
  264    HE   ARG  45           HE       ARG  45   6.550  -4.376   0.725
  265   1HH1  ARG  45           HH2      ARG  45   8.497  -5.642   2.652
  266   2HH1  ARG  45           HH2      ARG  45   8.641  -7.242   2.005
  267   1HH2  ARG  45           HH1      ARG  45   7.281  -6.407  -1.073
  268   2HH2  ARG  45           HH1      ARG  45   7.952  -7.675  -0.104
  269    H    ARG  46           H        ARG  46   6.486   0.524   3.501
  270    HA   ARG  46           HA       ARG  46   7.197  -1.333   5.622
  271   1HB   ARG  46          2HB       ARG  46   8.174   1.463   5.680
  272   2HB   ARG  46          1HB       ARG  46   7.398   0.902   7.162
  273   1HG   ARG  46          2HG       ARG  46   8.988  -1.248   6.458
  274   2HG   ARG  46          1HG       ARG  46   9.984   0.136   6.008
  275   1HD   ARG  46          2HD       ARG  46   8.941   0.889   8.463
  276   2HD   ARG  46          1HD       ARG  46   9.245  -0.835   8.670
  277    HE   ARG  46           HE       ARG  46  11.583  -0.422   8.399
  278   1HH1  ARG  46           HH2      ARG  46  10.098   2.291   9.442
  279   2HH1  ARG  46           HH2      ARG  46  11.204   3.429   8.748
  280   1HH2  ARG  46           HH1      ARG  46  12.822   1.070   6.792
  281   2HH2  ARG  46           HH1      ARG  46  12.745   2.739   7.249
  282    H    TYR  47           H        TYR  47   5.511  -1.489   7.149
  283    HA   TYR  47           HA       TYR  47   3.067   0.062   6.449
  284   1HB   TYR  47          2HB       TYR  47   2.459  -1.981   8.329
  285   2HB   TYR  47          1HB       TYR  47   2.011  -1.924   6.626
  286    HD1  TYR  47           HD2      TYR  47   3.414  -3.010   4.923
  287    HD2  TYR  47           HD1      TYR  47   4.326  -3.301   9.107
  288    HE1  TYR  47           HE2      TYR  47   4.951  -4.902   4.451
  289    HE2  TYR  47           HE1      TYR  47   5.867  -5.194   8.639
  290    HH   TYR  47           HH       TYR  47   5.898  -7.038   6.445
  291    H    ASN  48           H        ASN  48   5.368   0.929   8.215
  292    HA   ASN  48           HA       ASN  48   3.997   1.019  10.828
  293   1HB   ASN  48          2HB       ASN  48   6.770   1.129   9.936
  294   2HB   ASN  48          1HB       ASN  48   6.390   2.443  11.051
  295   1HD2  ASN  48           HD2      ASN  48   6.272  -1.432  12.395
  296   2HD2  ASN  48           HD2      ASN  48   6.280  -1.122  10.725
  297    H    ILE  49           H        ILE  49   4.797   2.996   8.087
  298    HA   ILE  49           HA       ILE  49   4.388   5.529   9.429
  299    HB   ILE  49           HB       ILE  49   5.028   6.473   7.481
  300   1HG1  ILE  49          2HG1      ILE  49   2.663   6.110   6.593
  301   2HG1  ILE  49          1HG1      ILE  49   3.931   6.218   5.375
  302   1HG2  ILE  49          1HG2      ILE  49   6.435   4.399   7.560
  303   2HG2  ILE  49          3HG2      ILE  49   5.302   3.648   6.437
  304   3HG2  ILE  49          2HG2      ILE  49   6.228   5.061   5.939
  305   1HD1  ILE  49           HD1      ILE  49   3.614   3.489   6.301
  306   2HD1  ILE  49           HD1      ILE  49   2.096   4.131   5.675
  307   3HD1  ILE  49           HD1      ILE  49   3.538   4.126   4.659
  308    H    ARG  50           H        ARG  50   2.320   3.233   7.746
  309    HA   ARG  50           HA       ARG  50  -0.010   4.797   7.446
  310   1HB   ARG  50          2HB       ARG  50   0.491   2.252   6.884
  311   2HB   ARG  50          1HB       ARG  50  -0.247   1.983   8.464
  312   1HG   ARG  50          2HG       ARG  50  -2.318   2.788   7.789
  313   2HG   ARG  50          1HG       ARG  50  -1.628   3.797   6.519
  314   1HD   ARG  50          2HD       ARG  50  -2.562   2.058   5.273
  315   2HD   ARG  50          1HD       ARG  50  -0.901   1.499   5.473
  316    HE   ARG  50           HE       ARG  50  -2.605   0.566   7.624
  317   1HH1  ARG  50           HH2      ARG  50  -0.380  -0.779   5.857
  318   2HH1  ARG  50           HH2      ARG  50  -1.300  -2.084   5.185
  319   1HH2  ARG  50           HH1      ARG  50  -4.364  -0.747   6.113
  320   2HH2  ARG  50           HH1      ARG  50  -3.558  -2.066   5.330
  321    H    SER  51           H        SER  51   1.369   3.255  10.302
  322    HA   SER  51           HA       SER  51  -0.903   3.912  12.009
  323   1HB   SER  51          2HB       SER  51   0.379   2.110  12.835
  324   2HB   SER  51          1HB       SER  51   1.905   2.913  12.476
  325    HG   SER  51           HG       SER  51   0.137   4.144  14.258
  326    H    HIS  52           H        HIS  52   2.180   5.350  11.117
  327    HA   HIS  52           HA       HIS  52   2.301   7.427  13.043
  328   1HB   HIS  52          2HB       HIS  52   4.236   7.611  11.844
  329   2HB   HIS  52          1HB       HIS  52   3.524   6.821  10.445
  330    HD1  HIS  52           HD1      HIS  52   5.008   9.907  11.291
  331    HD2  HIS  52           HD2      HIS  52   1.585   8.914   9.132
  332    HE1  HIS  52           HE1      HIS  52   4.396  11.952   9.926
  333    H    ILE  53           H        ILE  53   0.410   7.144  10.086
  334    HA   ILE  53           HA       ILE  53  -0.492   9.910  10.228
  335    HB   ILE  53           HB       ILE  53  -2.397   8.202   8.856
  336   1HG1  ILE  53          2HG1      ILE  53   0.518   7.887   8.064
  337   2HG1  ILE  53          1HG1      ILE  53  -0.569   6.604   8.586
  338   1HG2  ILE  53          3HG2      ILE  53  -0.440  10.357   8.038
  339   2HG2  ILE  53          2HG2      ILE  53  -1.592   9.630   6.919
  340   3HG2  ILE  53          1HG2      ILE  53  -2.172  10.525   8.324
  341   1HD1  ILE  53           HD1      ILE  53  -1.726   8.126   6.400
  342   2HD1  ILE  53           HD1      ILE  53  -0.154   7.466   5.953
  343   3HD1  ILE  53           HD1      ILE  53  -1.433   6.390   6.516
  344    H    GLN  54           H        GLN  54  -2.012   6.774  10.973
  345    HA   GLN  54           HA       GLN  54  -4.444   7.625  11.961
  346   1HB   GLN  54          2HB       GLN  54  -2.775   5.308  12.332
  347   2HB   GLN  54          1HB       GLN  54  -3.520   5.747  13.870
  348   1HG   GLN  54          2HG       GLN  54  -5.369   4.685  13.120
  349   2HG   GLN  54          1HG       GLN  54  -5.587   6.060  12.037
  350   1HE2  GLN  54          2HE2      GLN  54  -3.863   4.243   9.308
  351   2HE2  GLN  54          1HE2      GLN  54  -3.698   5.741  10.089
  352    H    THR  55           H        THR  55  -1.295   8.051  13.527
  353    HA   THR  55           HA       THR  55  -2.605   8.972  15.979
  354    HB   THR  55           HB       THR  55  -0.433   7.968  16.270
  355    HG1  THR  55           HG1      THR  55  -0.117  10.775  16.480
  356   1HG2  THR  55          2HG2      THR  55   0.534  10.051  14.295
  357   2HG2  THR  55          1HG2      THR  55   1.589   8.990  15.225
  358   3HG2  THR  55          3HG2      THR  55   0.475   8.307  14.043
  359    H    HIS  56           H        HIS  56  -0.919  10.522  13.257
  360    HA   HIS  56           HA       HIS  56  -1.891  13.114  14.289
  361   1HB   HIS  56          2HB       HIS  56  -0.071  14.053  13.354
  362   2HB   HIS  56          1HB       HIS  56   0.549  12.419  13.325
  363    HD1  HIS  56           HD1      HIS  56  -1.158  14.940  11.035
  364    HD2  HIS  56           HD2      HIS  56   1.105  11.459  10.809
  365    HE1  HIS  56           HE1      HIS  56  -0.284  14.796   8.653
  366    H    LEU  57           H        LEU  57  -3.480  10.965  13.044
  367    HA   LEU  57           HA       LEU  57  -4.752  12.604  10.922
  368   1HB   LEU  57          2HB       LEU  57  -3.394  10.511  10.139
  369   2HB   LEU  57          1HB       LEU  57  -4.740   9.592  10.811
  370    HG   LEU  57           HG       LEU  57  -6.302  10.656   9.325
  371   1HD1  LEU  57           HD1      LEU  57  -4.000  12.533   8.875
  372   2HD1  LEU  57           HD1      LEU  57  -5.204  12.321   7.603
  373   3HD1  LEU  57           HD1      LEU  57  -5.695  12.905   9.193
  374   1HD2  LEU  57           HD2      LEU  57  -3.877   9.360   8.337
  375   2HD2  LEU  57           HD2      LEU  57  -5.554   9.102   7.856
  376   3HD2  LEU  57           HD2      LEU  57  -4.614  10.398   7.115
  377    H    GLU  58           H        GLU  58  -5.029  10.445  13.677
  378    HA   GLU  58           HA       GLU  58  -7.987  10.816  13.583
  379   1HB   GLU  58          2HB       GLU  58  -6.889   8.421  13.498
  380   2HB   GLU  58          1HB       GLU  58  -6.678   8.676  15.231
  381   1HG   GLU  58          2HG       GLU  58  -8.837   8.152  15.573
  382   2HG   GLU  58          1HG       GLU  58  -9.326   9.496  14.540
  383    H    ASP  59           H        ASP  59  -5.497  10.069  16.050
  384    HA   ASP  59           HA       ASP  59  -5.219  10.933  18.212
  385   1HB   ASP  59          2HB       ASP  59  -4.553  12.911  16.872
  386   2HB   ASP  59          1HB       ASP  59  -6.232  13.453  16.862
  387    H    ARG  60           H        ARG  60  -6.863   9.762  19.284
  388    HA   ARG  60           HA       ARG  60  -8.998  11.362  20.397
  389   1HB   ARG  60          2HB       ARG  60 -10.892  10.045  19.497
  390   2HB   ARG  60          1HB       ARG  60 -10.031  10.893  18.212
  391   1HG   ARG  60          2HG       ARG  60 -10.179   8.777  17.276
  392   2HG   ARG  60          1HG       ARG  60  -8.634   8.641  18.115
  393   1HD   ARG  60          2HD       ARG  60 -10.474   7.990  20.084
  394   2HD   ARG  60          1HD       ARG  60 -11.160   7.255  18.635
  395    HE   ARG  60           HE       ARG  60  -8.427   6.660  19.689
  396   1HH1  ARG  60           HH2      ARG  60 -10.601   6.234  17.120
  397   2HH1  ARG  60           HH2      ARG  60 -10.356   4.525  16.986
  398   1HH2  ARG  60           HH1      ARG  60  -8.364   4.320  19.818
  399   2HH2  ARG  60           HH1      ARG  60  -9.091   3.441  18.514
   
  No H/Q in entry =         399
  Start of MODEL   35
    1   1H    THR  14          1H        THR  14 -15.687  -3.673  12.209
    2   2H    THR  14          3H        THR  14 -17.035  -3.241  11.275
    3   3H    THR  14          2H        THR  14 -16.276  -4.740  11.026
    4    HA   THR  14           HA       THR  14 -14.463  -3.828   9.964
    5    HB   THR  14           HB       THR  14 -15.375  -2.381   8.245
    6    HG1  THR  14           HG1      THR  14 -17.714  -2.047   9.759
    7   1HG2  THR  14          1HG2      THR  14 -17.146  -4.519   9.371
    8   2HG2  THR  14          3HG2      THR  14 -17.722  -3.565   8.003
    9   3HG2  THR  14          2HG2      THR  14 -16.236  -4.502   7.860
   10    H    LEU  15           H        LEU  15 -13.080  -1.935   9.532
   11    HA   LEU  15           HA       LEU  15 -13.310   0.130  11.688
   12   1HB   LEU  15          2HB       LEU  15 -10.819   0.242  11.621
   13   2HB   LEU  15          1HB       LEU  15 -11.407  -1.348  12.107
   14    HG   LEU  15           HG       LEU  15 -11.229  -1.286   9.248
   15   1HD1  LEU  15           HD1      LEU  15  -8.827  -0.242  10.758
   16   2HD1  LEU  15           HD1      LEU  15  -8.669  -1.059   9.202
   17   3HD1  LEU  15           HD1      LEU  15  -9.592   0.439   9.322
   18   1HD2  LEU  15           HD2      LEU  15 -10.461  -2.904  11.523
   19   2HD2  LEU  15           HD2      LEU  15 -10.756  -3.406   9.857
   20   3HD2  LEU  15           HD2      LEU  15  -9.152  -2.856  10.343
   21    HA   PRO  16           HA       PRO  16 -13.144   3.152   8.509
   22   1HB   PRO  16          2HB       PRO  16 -11.945   5.209   9.883
   23   2HB   PRO  16          1HB       PRO  16 -13.627   4.714  10.135
   24   1HG   PRO  16          2HG       PRO  16 -11.251   4.233  11.871
   25   2HG   PRO  16          1HG       PRO  16 -12.963   4.339  12.316
   26   1HD   PRO  16          2HD       PRO  16 -11.468   1.951  12.034
   27   2HD   PRO  16          1HD       PRO  16 -13.237   2.068  12.147
   28    H    ARG  17           H        ARG  17 -11.734   3.643   6.832
   29    HA   ARG  17           HA       ARG  17  -8.856   3.934   7.353
   30   1HB   ARG  17          2HB       ARG  17  -8.145   2.137   5.931
   31   2HB   ARG  17          1HB       ARG  17  -9.324   1.448   7.050
   32   1HG   ARG  17          2HG       ARG  17 -10.815   2.442   4.867
   33   2HG   ARG  17          1HG       ARG  17  -9.438   1.591   4.168
   34   1HD   ARG  17          2HD       ARG  17 -10.994  -0.136   4.451
   35   2HD   ARG  17          1HD       ARG  17 -10.022  -0.264   5.917
   36    HE   ARG  17           HE       ARG  17 -11.982   1.368   6.789
   37   1HH1  ARG  17           HH1      ARG  17 -14.263   1.155   5.585
   38   2HH1  ARG  17           HH1      ARG  17 -14.890  -0.452   5.742
   39   1HH2  ARG  17           HH2      ARG  17 -11.846  -1.836   6.659
   40   2HH2  ARG  17           HH2      ARG  17 -13.522  -2.145   6.350
   41    H    GLY  18           H        GLY  18 -10.946   5.681   6.355
   42   1HA   GLY  18          2HA       GLY  18 -10.210   5.941   3.476
   43   2HA   GLY  18          1HA       GLY  18 -11.620   6.687   4.227
   44    H    SER  19           H        SER  19  -9.501   7.229   6.536
   45    HA   SER  19           HA       SER  19  -8.803   9.897   5.475
   46   1HB   SER  19          2HB       SER  19  -9.520  10.364   7.584
   47   2HB   SER  19          1HB       SER  19  -9.252   8.713   8.137
   48    HG   SER  19           HG       SER  19  -7.844  10.517   8.964
   49    H    ILE  20           H        ILE  20  -7.372   6.844   5.953
   50    HA   ILE  20           HA       ILE  20  -4.640   8.002   6.070
   51    HB   ILE  20           HB       ILE  20  -5.129   5.054   6.113
   52   1HG1  ILE  20          2HG1      ILE  20  -6.884   5.914   7.591
   53   2HG1  ILE  20          1HG1      ILE  20  -5.597   5.193   8.557
   54   1HG2  ILE  20          1HG2      ILE  20  -3.099   7.013   6.960
   55   2HG2  ILE  20          3HG2      ILE  20  -3.415   5.752   8.151
   56   3HG2  ILE  20          2HG2      ILE  20  -2.908   5.316   6.519
   57   1HD1  ILE  20           HD1      ILE  20  -4.601   7.461   8.851
   58   2HD1  ILE  20           HD1      ILE  20  -5.980   8.143   7.990
   59   3HD1  ILE  20           HD1      ILE  20  -6.220   7.334   9.539
   60    H    ASP  21           H        ASP  21  -6.617   5.726   4.209
   61    HA   ASP  21           HA       ASP  21  -4.628   5.230   2.187
   62   1HB   ASP  21          2HB       ASP  21  -7.653   5.045   2.019
   63   2HB   ASP  21          1HB       ASP  21  -6.524   4.361   0.849
   64    H    LYS  22           H        LYS  22  -6.444   7.984   2.922
   65    HA   LYS  22           HA       LYS  22  -6.385   8.979   0.121
   66   1HB   LYS  22          2HB       LYS  22  -8.239   9.280   2.185
   67   2HB   LYS  22          1HB       LYS  22  -7.403  10.833   2.132
   68   1HG   LYS  22          2HG       LYS  22  -7.757  10.382  -0.525
   69   2HG   LYS  22          1HG       LYS  22  -9.185   9.578   0.124
   70   1HD   LYS  22          2HD       LYS  22  -8.345  12.452   0.585
   71   2HD   LYS  22          1HD       LYS  22  -9.768  11.888  -0.292
   72   1HE   LYS  22          2HE       LYS  22  -9.857  10.667   2.266
   73   2HE   LYS  22          1HE       LYS  22  -9.474  12.369   2.532
   74   1HZ   LYS  22          1HZ       LYS  22 -11.578  11.699   0.608
   75   2HZ   LYS  22          3HZ       LYS  22 -11.935  11.561   2.259
   76   3HZ   LYS  22          2HZ       LYS  22 -11.429  13.053   1.622
   77    H    TYR  23           H        TYR  23  -4.104   8.692   2.275
   78    HA   TYR  23           HA       TYR  23  -2.777  11.182   1.487
   79   1HB   TYR  23          2HB       TYR  23  -3.693  10.654   4.298
   80   2HB   TYR  23          1HB       TYR  23  -2.200  11.554   4.023
   81    HD1  TYR  23           HD2      TYR  23  -2.555  13.255   1.836
   82    HD2  TYR  23           HD1      TYR  23  -5.524  12.034   4.688
   83    HE1  TYR  23           HE2      TYR  23  -3.872  15.291   1.331
   84    HE2  TYR  23           HE1      TYR  23  -6.842  14.072   4.186
   85    HH   TYR  23           HH       TYR  23  -5.715  16.701   2.824
   86    H    VAL  24           H        VAL  24  -2.513   8.120   1.440
   87    HA   VAL  24           HA       VAL  24   0.227   7.995   2.636
   88    HB   VAL  24           HB       VAL  24  -1.822   5.816   2.158
   89   1HG1  VAL  24          3HG1      VAL  24   1.112   5.707   2.300
   90   2HG1  VAL  24          2HG1      VAL  24   0.313   4.658   3.471
   91   3HG1  VAL  24          1HG1      VAL  24  -0.033   4.482   1.751
   92   1HG2  VAL  24          1HG2      VAL  24  -1.698   7.404   4.273
   93   2HG2  VAL  24          3HG2      VAL  24  -1.965   5.673   4.479
   94   3HG2  VAL  24          2HG2      VAL  24  -0.356   6.352   4.722
   95    H    LYS  25           H        LYS  25   1.467   8.620   0.862
   96    HA   LYS  25           HA       LYS  25   0.882   7.599  -1.818
   97   1HB   LYS  25          2HB       LYS  25   2.398   9.728  -0.737
   98   2HB   LYS  25          1HB       LYS  25   3.550   8.674  -1.557
   99   1HG   LYS  25          2HG       LYS  25   1.011   9.196  -3.004
  100   2HG   LYS  25          1HG       LYS  25   2.108  10.569  -2.848
  101   1HD   LYS  25          2HD       LYS  25   3.955   8.969  -3.653
  102   2HD   LYS  25          1HD       LYS  25   2.645   7.889  -4.132
  103   1HE   LYS  25          2HE       LYS  25   2.015  10.529  -5.046
  104   2HE   LYS  25          1HE       LYS  25   3.661  10.143  -5.551
  105   1HZ   LYS  25          2HZ       LYS  25   1.635   8.067  -5.869
  106   2HZ   LYS  25          1HZ       LYS  25   1.559   9.390  -6.930
  107   3HZ   LYS  25          3HZ       LYS  25   2.966   8.445  -6.854
  108    H    GLU  26           H        GLU  26   1.069   5.322  -1.644
  109    HA   GLU  26           HA       GLU  26   3.566   4.166  -0.593
  110   1HB   GLU  26          2HB       GLU  26   2.499   2.000  -1.144
  111   2HB   GLU  26          1HB       GLU  26   1.428   3.015  -0.175
  112   1HG   GLU  26          2HG       GLU  26   0.982   3.675  -2.911
  113   2HG   GLU  26          1HG       GLU  26   0.953   1.915  -2.779
  114    H    MET  27           H        MET  27   5.333   4.087  -1.897
  115    HA   MET  27           HA       MET  27   4.929   4.078  -4.837
  116   1HB   MET  27          2HB       MET  27   7.570   4.292  -3.385
  117   2HB   MET  27          1HB       MET  27   7.182   4.818  -5.024
  118   1HG   MET  27          2HG       MET  27   5.369   6.281  -3.688
  119   2HG   MET  27          1HG       MET  27   6.587   6.139  -2.421
  120   1HE   MET  27          3HE       MET  27   5.338   7.290  -5.500
  121   2HE   MET  27          2HE       MET  27   5.682   8.913  -4.903
  122   3HE   MET  27          1HE       MET  27   6.528   8.307  -6.324
  123    HA   PRO  28           HA       PRO  28   5.802  -0.260  -4.855
  124   1HB   PRO  28          2HB       PRO  28   6.067  -0.508  -7.585
  125   2HB   PRO  28          1HB       PRO  28   4.506  -0.411  -6.750
  126   1HG   PRO  28          2HG       PRO  28   5.927   1.689  -8.334
  127   2HG   PRO  28          1HG       PRO  28   4.189   1.458  -8.080
  128   1HD   PRO  28          2HD       PRO  28   5.772   3.363  -6.756
  129   2HD   PRO  28          1HD       PRO  28   4.172   2.808  -6.218
  130    H    ASP  29           H        ASP  29   7.911   2.238  -5.758
  131    HA   ASP  29           HA       ASP  29  10.131   0.451  -6.500
  132   1HB   ASP  29          2HB       ASP  29  11.386   2.446  -6.921
  133   2HB   ASP  29          1HB       ASP  29   9.758   2.771  -7.516
  134    H    LYS  30           H        LYS  30   8.677   0.789  -3.736
  135    HA   LYS  30           HA       LYS  30   9.386   0.266  -1.569
  136   1HB   LYS  30          2HB       LYS  30  12.193   0.845  -2.489
  137   2HB   LYS  30          1HB       LYS  30  11.702  -0.102  -1.091
  138   1HG   LYS  30          2HG       LYS  30  11.319  -1.964  -2.337
  139   2HG   LYS  30          1HG       LYS  30  10.597  -1.044  -3.659
  140   1HD   LYS  30          2HD       LYS  30  12.593  -1.866  -4.604
  141   2HD   LYS  30          1HD       LYS  30  13.019  -0.223  -4.120
  142   1HE   LYS  30          2HE       LYS  30  13.397  -2.365  -2.084
  143   2HE   LYS  30          1HE       LYS  30  14.522  -2.347  -3.443
  144   1HZ   LYS  30          2HZ       LYS  30  14.298   0.272  -2.689
  145   2HZ   LYS  30          1HZ       LYS  30  14.348  -0.573  -1.217
  146   3HZ   LYS  30          3HZ       LYS  30  15.598  -0.764  -2.346
  147    H    THR  31           H        THR  31   8.260   2.584  -1.831
  148    HA   THR  31           HA       THR  31   9.926   4.401  -0.212
  149    HB   THR  31           HB       THR  31   8.483   5.654  -2.492
  150    HG1  THR  31           HG1      THR  31   9.750   3.919  -3.363
  151   1HG2  THR  31          1HG2      THR  31  10.515   6.321  -0.512
  152   2HG2  THR  31          3HG2      THR  31  11.001   6.777  -2.144
  153   3HG2  THR  31          2HG2      THR  31   9.491   7.391  -1.469
  154    H    PHE  32           H        PHE  32   8.450   6.434   0.318
  155    HA   PHE  32           HA       PHE  32   5.578   5.888   0.360
  156   1HB   PHE  32          2HB       PHE  32   7.304   5.189   2.640
  157   2HB   PHE  32          1HB       PHE  32   5.955   6.242   3.069
  158    HD1  PHE  32           HD2      PHE  32   3.716   5.525   1.568
  159    HD2  PHE  32           HD1      PHE  32   6.845   2.931   2.958
  160    HE1  PHE  32           HE2      PHE  32   2.166   3.593   1.450
  161    HE2  PHE  32           HE1      PHE  32   5.295   0.999   2.840
  162    HZ   PHE  32           HZ       PHE  32   2.956   1.330   2.086
  163    H    GLU  33           H        GLU  33   4.395   7.791   1.057
  164    HA   GLU  33           HA       GLU  33   5.944  10.115   1.975
  165   1HB   GLU  33          2HB       GLU  33   6.273  10.111  -0.494
  166   2HB   GLU  33          1HB       GLU  33   4.523  10.196  -0.699
  167   1HG   GLU  33          2HG       GLU  33   4.420  12.392  -0.073
  168   2HG   GLU  33          1HG       GLU  33   5.702  12.213   1.127
  169    H    CYS  34           H        CYS  34   4.499  10.163   3.749
  170    HA   CYS  34           HA       CYS  34   1.654  10.067   3.583
  171   1HB   CYS  34          2HB       CYS  34   2.994   9.930   5.697
  172   2HB   CYS  34          1HB       CYS  34   3.370  11.642   5.535
  173    H    LEU  35           H        LEU  35   0.795  11.362   1.931
  174    HA   LEU  35           HA       LEU  35   1.742  14.086   1.513
  175   1HB   LEU  35          2HB       LEU  35  -0.174  14.175  -0.130
  176   2HB   LEU  35          1HB       LEU  35   0.979  12.872  -0.418
  177    HG   LEU  35           HG       LEU  35  -1.161  12.095   1.420
  178   1HD1  LEU  35           HD1      LEU  35  -2.274  13.768  -0.204
  179   2HD1  LEU  35           HD1      LEU  35  -1.969  12.562  -1.453
  180   3HD1  LEU  35           HD1      LEU  35  -3.001  12.167  -0.080
  181   1HD2  LEU  35           HD2      LEU  35   0.418  11.045  -0.838
  182   2HD2  LEU  35           HD2      LEU  35  -0.171  10.216   0.603
  183   3HD2  LEU  35           HD2      LEU  35  -1.241  10.447  -0.781
  184    H    PHE  36           H        PHE  36   0.087  13.023   4.050
  185    HA   PHE  36           HA       PHE  36  -2.321  14.482   4.200
  186   1HB   PHE  36          2HB       PHE  36  -1.582  12.940   5.966
  187   2HB   PHE  36          1HB       PHE  36  -0.252  14.024   6.372
  188    HD1  PHE  36           HD2      PHE  36  -0.754  16.326   7.264
  189    HD2  PHE  36           HD1      PHE  36  -3.786  13.332   6.764
  190    HE1  PHE  36           HE2      PHE  36  -2.243  17.583   8.792
  191    HE2  PHE  36           HE1      PHE  36  -5.280  14.589   8.289
  192    HZ   PHE  36           HZ       PHE  36  -4.512  16.718   9.304
  193    HA   PRO  37           HA       PRO  37  -0.887  18.645   3.990
  194   1HB   PRO  37          2HB       PRO  37  -3.146  19.865   4.991
  195   2HB   PRO  37          1HB       PRO  37  -3.018  19.240   3.338
  196   1HG   PRO  37          2HG       PRO  37  -4.466  18.080   5.679
  197   2HG   PRO  37          1HG       PRO  37  -4.814  17.916   3.949
  198   1HD   PRO  37          2HD       PRO  37  -3.558  15.971   5.547
  199   2HD   PRO  37          1HD       PRO  37  -3.549  16.007   3.773
  200    H    GLY  38           H        GLY  38   0.699  19.036   5.466
  201   1HA   GLY  38          2HA       GLY  38   1.065  20.450   7.531
  202   2HA   GLY  38          1HA       GLY  38  -0.105  19.388   8.325
  203    H    CYS  39           H        CYS  39   1.126  17.166   6.553
  204    HA   CYS  39           HA       CYS  39   2.977  16.183   8.568
  205   1HB   CYS  39          2HB       CYS  39   1.420  14.820   7.003
  206   2HB   CYS  39          1HB       CYS  39   2.677  15.047   5.788
  207    H    THR  40           H        THR  40   5.220  15.371   7.803
  208    HA   THR  40           HA       THR  40   6.461  16.838   5.609
  209    HB   THR  40           HB       THR  40   6.419  18.606   7.311
  210    HG1  THR  40           HG1      THR  40   8.323  19.048   6.598
  211   1HG2  THR  40          2HG2      THR  40   7.785  16.514   9.021
  212   2HG2  THR  40          1HG2      THR  40   7.711  18.226   9.438
  213   3HG2  THR  40          3HG2      THR  40   6.226  17.281   9.322
  214    H    LYS  41           H        LYS  41   6.131  14.057   6.812
  215    HA   LYS  41           HA       LYS  41   9.045  13.383   6.789
  216   1HB   LYS  41          2HB       LYS  41   7.123  12.936   8.892
  217   2HB   LYS  41          1HB       LYS  41   7.694  11.388   8.270
  218   1HG   LYS  41          2HG       LYS  41   9.236  12.010   9.987
  219   2HG   LYS  41          1HG       LYS  41  10.057  12.334   8.459
  220   1HD   LYS  41          2HD       LYS  41  10.435  14.292   9.727
  221   2HD   LYS  41          1HD       LYS  41   9.088  14.724   8.675
  222   1HE   LYS  41          2HE       LYS  41   7.586  14.800  10.399
  223   2HE   LYS  41          1HE       LYS  41   8.363  13.476  11.268
  224   1HZ   LYS  41          2HZ       LYS  41  10.159  15.604  11.184
  225   2HZ   LYS  41          1HZ       LYS  41   8.659  16.238  11.668
  226   3HZ   LYS  41          3HZ       LYS  41   9.360  14.964  12.541
  227    H    THR  42           H        THR  42   9.578  11.454   5.703
  228    HA   THR  42           HA       THR  42   7.327  10.039   4.339
  229    HB   THR  42           HB       THR  42   8.443  10.066   2.260
  230    HG1  THR  42           HG1      THR  42  10.523   9.955   2.252
  231   1HG2  THR  42          2HG2      THR  42   7.721  12.420   3.483
  232   2HG2  THR  42          1HG2      THR  42   9.361  12.773   2.939
  233   3HG2  THR  42          3HG2      THR  42   8.138  12.257   1.778
  234    H    PHE  43           H        PHE  43   8.250   7.894   3.351
  235    HA   PHE  43           HA       PHE  43  10.521   6.802   4.891
  236   1HB   PHE  43          2HB       PHE  43   7.997   5.195   4.967
  237   2HB   PHE  43          1HB       PHE  43   9.342   5.223   6.108
  238    HD1  PHE  43           HD1      PHE  43   6.577   7.385   4.790
  239    HD2  PHE  43           HD2      PHE  43   9.163   6.464   8.093
  240    HE1  PHE  43           HE1      PHE  43   5.351   9.014   6.202
  241    HE2  PHE  43           HE2      PHE  43   7.938   8.093   9.507
  242    HZ   PHE  43           HZ       PHE  43   6.032   9.368   8.560
  243    H    LYS  44           H        LYS  44   9.785   4.041   4.244
  244    HA   LYS  44           HA       LYS  44   9.255   3.833   1.415
  245   1HB   LYS  44          2HB       LYS  44  11.636   3.014   0.874
  246   2HB   LYS  44          1HB       LYS  44  11.407   4.756   1.027
  247   1HG   LYS  44          2HG       LYS  44  12.115   4.562   3.438
  248   2HG   LYS  44          1HG       LYS  44  12.519   2.874   3.125
  249   1HD   LYS  44          2HD       LYS  44  13.635   4.878   1.231
  250   2HD   LYS  44          1HD       LYS  44  14.318   4.861   2.857
  251   1HE   LYS  44          2HE       LYS  44  14.038   2.152   2.011
  252   2HE   LYS  44          1HE       LYS  44  14.826   3.041   0.707
  253   1HZ   LYS  44          2HZ       LYS  44  15.749   3.596   3.412
  254   2HZ   LYS  44          1HZ       LYS  44  16.142   2.068   2.780
  255   3HZ   LYS  44          3HZ       LYS  44  16.631   3.473   1.964
  256    H    ARG  45           H        ARG  45   8.511   1.802   1.104
  257    HA   ARG  45           HA       ARG  45   7.964  -0.428   1.607
  258   1HB   ARG  45          2HB       ARG  45  10.331  -0.534   0.674
  259   2HB   ARG  45          1HB       ARG  45  10.893  -0.623   2.343
  260   1HG   ARG  45          2HG       ARG  45   9.320  -2.600   2.645
  261   2HG   ARG  45          1HG       ARG  45   9.097  -2.582   0.895
  262   1HD   ARG  45          2HD       ARG  45  11.533  -2.847   0.580
  263   2HD   ARG  45          1HD       ARG  45  11.754  -2.874   2.329
  264    HE   ARG  45           HE       ARG  45  10.165  -4.948   2.194
  265   1HH1  ARG  45           HH2      ARG  45  10.562  -4.466  -0.922
  266   2HH1  ARG  45           HH2      ARG  45  11.611  -5.800  -1.266
  267   1HH2  ARG  45           HH1      ARG  45  12.318  -6.446   2.066
  268   2HH2  ARG  45           HH1      ARG  45  12.606  -6.921   0.426
  269    H    ARG  46           H        ARG  46   6.659  -0.134   3.473
  270    HA   ARG  46           HA       ARG  46   7.261  -1.508   5.787
  271   1HB   ARG  46          2HB       ARG  46   7.765   0.476   7.374
  272   2HB   ARG  46          1HB       ARG  46   9.094  -0.147   6.398
  273   1HG   ARG  46          2HG       ARG  46   9.127   1.700   5.012
  274   2HG   ARG  46          1HG       ARG  46   7.408   2.027   5.233
  275   1HD   ARG  46          2HD       ARG  46   8.291   3.736   6.516
  276   2HD   ARG  46          1HD       ARG  46   8.175   2.474   7.742
  277    HE   ARG  46           HE       ARG  46  10.644   3.565   6.647
  278   1HH1  ARG  46           HH1      ARG  46  11.081   0.749   6.055
  279   2HH1  ARG  46           HH1      ARG  46  11.656   0.098   7.553
  280   1HH2  ARG  46           HH2      ARG  46  10.524   2.769   9.453
  281   2HH2  ARG  46           HH2      ARG  46  11.341   1.242   9.478
  282    H    TYR  47           H        TYR  47   5.431  -1.581   7.057
  283    HA   TYR  47           HA       TYR  47   3.261   0.331   6.357
  284   1HB   TYR  47          2HB       TYR  47   2.277  -1.706   8.073
  285   2HB   TYR  47          1HB       TYR  47   1.946  -1.508   6.354
  286    HD1  TYR  47           HD2      TYR  47   3.718  -2.429   4.709
  287    HD2  TYR  47           HD1      TYR  47   3.481  -3.556   8.843
  288    HE1  TYR  47           HE2      TYR  47   5.022  -4.487   4.217
  289    HE2  TYR  47           HE1      TYR  47   4.785  -5.614   8.357
  290    HH   TYR  47           HH       TYR  47   5.840  -6.381   5.036
  291    H    ASN  48           H        ASN  48   5.417   1.095   8.130
  292    HA   ASN  48           HA       ASN  48   4.069   1.030  10.764
  293   1HB   ASN  48          2HB       ASN  48   6.889   1.291   9.867
  294   2HB   ASN  48          1HB       ASN  48   6.438   2.238  11.286
  295   1HD2  ASN  48           HD2      ASN  48   6.305  -1.867  11.523
  296   2HD2  ASN  48           HD2      ASN  48   6.222  -1.121  10.000
  297    H    ILE  49           H        ILE  49   5.099   3.118   8.182
  298    HA   ILE  49           HA       ILE  49   4.737   5.600   9.617
  299    HB   ILE  49           HB       ILE  49   5.610   6.513   7.752
  300   1HG1  ILE  49          2HG1      ILE  49   3.209   6.691   6.955
  301   2HG1  ILE  49          1HG1      ILE  49   4.424   6.679   5.678
  302   1HG2  ILE  49          2HG2      ILE  49   6.680   4.292   7.511
  303   2HG2  ILE  49          1HG2      ILE  49   5.353   3.786   6.465
  304   3HG2  ILE  49          3HG2      ILE  49   6.430   5.086   5.956
  305   1HD1  ILE  49           HD1      ILE  49   3.684   3.973   6.294
  306   2HD1  ILE  49           HD1      ILE  49   2.225   4.917   5.988
  307   3HD1  ILE  49           HD1      ILE  49   3.501   4.845   4.772
  308    H    ARG  50           H        ARG  50   2.642   3.460   7.783
  309    HA   ARG  50           HA       ARG  50   0.374   5.083   7.443
  310   1HB   ARG  50          2HB       ARG  50   0.859   2.479   6.971
  311   2HB   ARG  50          1HB       ARG  50  -0.067   2.311   8.462
  312   1HG   ARG  50          2HG       ARG  50  -1.432   4.231   6.893
  313   2HG   ARG  50          1HG       ARG  50  -1.024   2.901   5.808
  314   1HD   ARG  50          2HD       ARG  50  -1.911   1.825   8.324
  315   2HD   ARG  50          1HD       ARG  50  -3.105   2.981   7.736
  316    HE   ARG  50           HE       ARG  50  -3.041   1.638   5.560
  317   1HH1  ARG  50           HH2      ARG  50  -3.714   0.369   8.511
  318   2HH1  ARG  50           HH2      ARG  50  -3.356  -1.280   8.120
  319   1HH2  ARG  50           HH1      ARG  50  -1.879  -0.518   5.078
  320   2HH2  ARG  50           HH1      ARG  50  -2.317  -1.782   6.177
  321    H    SER  51           H        SER  51   1.312   3.144  10.294
  322    HA   SER  51           HA       SER  51  -0.866   3.962  11.945
  323   1HB   SER  51          2HB       SER  51   1.079   2.169  12.305
  324   2HB   SER  51          1HB       SER  51   1.838   3.514  13.151
  325    HG   SER  51           HG       SER  51  -0.832   2.684  13.616
  326    H    HIS  52           H        HIS  52   2.375   5.326  11.429
  327    HA   HIS  52           HA       HIS  52   2.375   7.403  13.293
  328   1HB   HIS  52          2HB       HIS  52   4.316   7.695  12.123
  329   2HB   HIS  52          1HB       HIS  52   3.660   6.882  10.709
  330    HD1  HIS  52           HD1      HIS  52   4.851  10.101  11.751
  331    HD2  HIS  52           HD2      HIS  52   1.801   8.823   9.219
  332    HE1  HIS  52           HE1      HIS  52   4.195  12.105  10.346
  333    H    ILE  53           H        ILE  53   0.773   7.295  10.147
  334    HA   ILE  53           HA       ILE  53  -0.335   9.928  10.263
  335    HB   ILE  53           HB       ILE  53  -1.207   7.381   8.862
  336   1HG1  ILE  53          2HG1      ILE  53   0.279   9.887   8.067
  337   2HG1  ILE  53          1HG1      ILE  53   0.760   8.205   7.847
  338   1HG2  ILE  53          3HG2      ILE  53  -2.370  10.166   8.660
  339   2HG2  ILE  53          2HG2      ILE  53  -2.753   8.836   7.568
  340   3HG2  ILE  53          1HG2      ILE  53  -3.193   8.732   9.273
  341   1HD1  ILE  53           HD1      ILE  53  -1.300   7.994   6.315
  342   2HD1  ILE  53           HD1      ILE  53  -1.336   9.757   6.326
  343   3HD1  ILE  53           HD1      ILE  53   0.072   8.908   5.689
  344    H    GLN  54           H        GLN  54  -1.693   6.761  11.085
  345    HA   GLN  54           HA       GLN  54  -4.214   7.415  11.958
  346   1HB   GLN  54          2HB       GLN  54  -2.388   5.607  13.535
  347   2HB   GLN  54          1HB       GLN  54  -4.144   5.538  13.474
  348   1HG   GLN  54          2HG       GLN  54  -2.573   5.262  10.926
  349   2HG   GLN  54          1HG       GLN  54  -2.721   3.882  12.008
  350   1HE2  GLN  54          2HE2      GLN  54  -5.597   3.709   9.689
  351   2HE2  GLN  54          1HE2      GLN  54  -3.909   3.586   9.562
  352    H    THR  55           H        THR  55  -1.201   8.010  13.737
  353    HA   THR  55           HA       THR  55  -2.735   8.973  16.028
  354    HB   THR  55           HB       THR  55  -0.321   7.951  16.019
  355    HG1  THR  55           HG1      THR  55  -1.295  10.121  17.511
  356   1HG2  THR  55          1HG2      THR  55   0.276  10.041  14.427
  357   2HG2  THR  55          3HG2      THR  55   0.619  10.771  15.994
  358   3HG2  THR  55          2HG2      THR  55   1.458   9.299  15.502
  359    H    HIS  56           H        HIS  56  -1.101  10.469  13.276
  360    HA   HIS  56           HA       HIS  56  -2.032  13.060  14.335
  361   1HB   HIS  56          2HB       HIS  56  -0.216  14.016  13.440
  362   2HB   HIS  56          1HB       HIS  56   0.415  12.388  13.427
  363    HD1  HIS  56           HD1      HIS  56  -1.260  14.889  11.092
  364    HD2  HIS  56           HD2      HIS  56   1.082  11.461  10.936
  365    HE1  HIS  56           HE1      HIS  56  -0.270  14.787   8.756
  366    H    LEU  57           H        LEU  57  -3.569  10.874  12.923
  367    HA   LEU  57           HA       LEU  57  -4.855  12.686  10.950
  368   1HB   LEU  57          2HB       LEU  57  -3.811  10.007  10.474
  369   2HB   LEU  57          1HB       LEU  57  -5.530  10.113  10.115
  370    HG   LEU  57           HG       LEU  57  -4.092  10.711   8.161
  371   1HD1  LEU  57           HD1      LEU  57  -6.395  11.652   8.505
  372   2HD1  LEU  57           HD1      LEU  57  -5.659  13.054   9.282
  373   3HD1  LEU  57           HD1      LEU  57  -5.338  12.718   7.581
  374   1HD2  LEU  57           HD2      LEU  57  -2.473  11.903   9.952
  375   2HD2  LEU  57           HD2      LEU  57  -2.521  12.394   8.260
  376   3HD2  LEU  57           HD2      LEU  57  -3.424  13.307   9.468
  377    H    GLU  58           H        GLU  58  -5.128  10.484  13.637
  378    HA   GLU  58           HA       GLU  58  -7.761   9.622  13.572
  379   1HB   GLU  58          2HB       GLU  58  -6.077  10.707  15.823
  380   2HB   GLU  58          1HB       GLU  58  -7.741  10.196  16.114
  381   1HG   GLU  58          2HG       GLU  58  -6.292   8.242  14.514
  382   2HG   GLU  58          1HG       GLU  58  -5.491   8.537  16.058
  383    H    ASP  59           H        ASP  59  -6.928  12.663  15.264
  384    HA   ASP  59           HA       ASP  59  -8.308  14.540  15.655
  385   1HB   ASP  59          2HB       ASP  59  -7.933  14.107  12.779
  386   2HB   ASP  59          1HB       ASP  59  -9.365  15.067  13.152
  387    H    ARG  60           H        ARG  60  -9.824  12.947  16.824
  388    HA   ARG  60           HA       ARG  60 -12.230  12.102  15.433
  389   1HB   ARG  60          2HB       ARG  60 -11.031  11.540  17.900
  390   2HB   ARG  60          1HB       ARG  60 -12.532  12.369  18.317
  391   1HG   ARG  60          2HG       ARG  60 -12.524  10.175  16.253
  392   2HG   ARG  60          1HG       ARG  60 -12.602   9.788  17.972
  393   1HD   ARG  60          2HD       ARG  60 -14.487  11.730  17.848
  394   2HD   ARG  60          1HD       ARG  60 -14.637  11.056  16.225
  395    HE   ARG  60           HE       ARG  60 -14.616   8.830  17.884
  396   1HH1  ARG  60           HH2      ARG  60 -15.937  11.347  19.407
  397   2HH1  ARG  60           HH2      ARG  60 -17.595  10.859  19.285
  398   1HH2  ARG  60           HH1      ARG  60 -16.967   8.363  16.962
  399   2HH2  ARG  60           HH1      ARG  60 -18.178   9.171  17.901
   
  No H/Q in entry =         399
  Start of MODEL   36
    1   1H    THR  14          1H        THR  14  -8.523  -2.582   8.844
    2   2H    THR  14          3H        THR  14  -7.976  -1.074   9.395
    3   3H    THR  14          2H        THR  14  -7.041  -2.467   9.664
    4    HA   THR  14           HA       THR  14  -8.650  -3.357  11.169
    5    HB   THR  14           HB       THR  14  -8.797  -1.032  12.623
    6    HG1  THR  14           HG1      THR  14  -6.985   0.164  12.071
    7   1HG2  THR  14          1HG2      THR  14  -7.549  -3.341  12.912
    8   2HG2  THR  14          3HG2      THR  14  -6.152  -2.416  12.362
    9   3HG2  THR  14          2HG2      THR  14  -7.017  -1.924  13.819
   10    H    LEU  15           H        LEU  15  -9.707  -0.317   9.665
   11    HA   LEU  15           HA       LEU  15 -12.338  -1.003   9.188
   12   1HB   LEU  15          2HB       LEU  15 -11.886  -0.754  12.017
   13   2HB   LEU  15          1HB       LEU  15 -12.999   0.506  11.486
   14    HG   LEU  15           HG       LEU  15 -13.443  -2.239  10.411
   15   1HD1  LEU  15           HD1      LEU  15 -13.862  -1.413  13.285
   16   2HD1  LEU  15           HD1      LEU  15 -14.865  -2.650  12.529
   17   3HD1  LEU  15           HD1      LEU  15 -13.124  -2.891  12.666
   18   1HD2  LEU  15           HD2      LEU  15 -14.827  -0.217   9.831
   19   2HD2  LEU  15           HD2      LEU  15 -15.763  -1.534  10.539
   20   3HD2  LEU  15           HD2      LEU  15 -15.327  -0.135  11.521
   21    HA   PRO  16           HA       PRO  16 -12.074   3.725   9.460
   22   1HB   PRO  16          2HB       PRO  16  -9.929   4.810  10.774
   23   2HB   PRO  16          1HB       PRO  16 -11.455   4.391  11.569
   24   1HG   PRO  16          2HG       PRO  16  -8.828   2.990  11.697
   25   2HG   PRO  16          1HG       PRO  16 -10.147   3.014  12.880
   26   1HD   PRO  16          2HD       PRO  16  -9.579   0.921  11.057
   27   2HD   PRO  16          1HD       PRO  16 -11.055   1.097  12.029
   28    H    ARG  17           H        ARG  17 -11.138   5.079   7.856
   29    HA   ARG  17           HA       ARG  17  -8.452   5.104   7.005
   30   1HB   ARG  17          2HB       ARG  17  -8.790   3.717   4.849
   31   2HB   ARG  17          1HB       ARG  17  -8.527   2.830   6.350
   32   1HG   ARG  17          2HG       ARG  17 -10.382   1.730   5.417
   33   2HG   ARG  17          1HG       ARG  17 -11.127   2.859   6.547
   34   1HD   ARG  17          2HD       ARG  17 -12.214   2.852   4.285
   35   2HD   ARG  17          1HD       ARG  17 -11.592   4.431   4.759
   36    HE   ARG  17           HE       ARG  17  -9.892   4.228   3.090
   37   1HH1  ARG  17           HH2      ARG  17 -11.186   1.145   3.789
   38   2HH1  ARG  17           HH2      ARG  17 -10.880   0.496   2.212
   39   1HH2  ARG  17           HH1      ARG  17  -9.750   3.501   0.903
   40   2HH2  ARG  17           HH1      ARG  17 -10.068   1.830   0.579
   41    H    GLY  18           H        GLY  18 -10.708   6.871   7.248
   42   1HA   GLY  18          2HA       GLY  18 -11.474   7.530   4.468
   43   2HA   GLY  18          1HA       GLY  18 -12.098   8.310   5.921
   44    H    SER  19           H        SER  19  -8.900   8.188   6.496
   45    HA   SER  19           HA       SER  19  -8.196  10.565   4.877
   46   1HB   SER  19          2HB       SER  19  -7.817  10.543   7.874
   47   2HB   SER  19          1HB       SER  19  -7.606  11.899   6.770
   48    HG   SER  19           HG       SER  19  -9.970  11.350   6.282
   49    H    ILE  20           H        ILE  20  -7.363   7.577   5.642
   50    HA   ILE  20           HA       ILE  20  -4.477   8.174   6.040
   51    HB   ILE  20           HB       ILE  20  -5.602   5.400   6.181
   52   1HG1  ILE  20          2HG1      ILE  20  -7.185   6.591   7.542
   53   2HG1  ILE  20          1HG1      ILE  20  -6.023   5.857   8.648
   54   1HG2  ILE  20          3HG2      ILE  20  -3.104   6.368   6.483
   55   2HG2  ILE  20          2HG2      ILE  20  -3.676   6.539   8.142
   56   3HG2  ILE  20          1HG2      ILE  20  -3.685   4.956   7.366
   57   1HD1  ILE  20           HD1      ILE  20  -4.891   8.327   7.980
   58   2HD1  ILE  20           HD1      ILE  20  -6.606   8.671   8.202
   59   3HD1  ILE  20           HD1      ILE  20  -5.683   7.915   9.500
   60    H    ASP  21           H        ASP  21  -6.722   6.249   4.087
   61    HA   ASP  21           HA       ASP  21  -4.652   5.318   2.274
   62   1HB   ASP  21          2HB       ASP  21  -7.583   5.065   2.528
   63   2HB   ASP  21          1HB       ASP  21  -6.986   5.042   0.869
   64    H    LYS  22           H        LYS  22  -6.616   8.174   2.507
   65    HA   LYS  22           HA       LYS  22  -6.104   8.924  -0.303
   66   1HB   LYS  22          2HB       LYS  22  -8.207   9.454   1.304
   67   2HB   LYS  22          1HB       LYS  22  -7.238  10.896   1.613
   68   1HG   LYS  22          2HG       LYS  22  -7.271  10.260  -1.219
   69   2HG   LYS  22          1HG       LYS  22  -8.911  10.446  -0.596
   70   1HD   LYS  22          2HD       LYS  22  -6.925  12.462   0.312
   71   2HD   LYS  22          1HD       LYS  22  -7.405  12.545  -1.384
   72   1HE   LYS  22          2HE       LYS  22  -9.307  12.510   0.979
   73   2HE   LYS  22          1HE       LYS  22  -8.883  13.934   0.030
   74   1HZ   LYS  22          3HZ       LYS  22  -9.637  11.998  -1.786
   75   2HZ   LYS  22          2HZ       LYS  22 -10.787  11.915  -0.536
   76   3HZ   LYS  22          1HZ       LYS  22 -10.511  13.383  -1.345
   77    H    TYR  23           H        TYR  23  -4.112   8.775   2.175
   78    HA   TYR  23           HA       TYR  23  -2.536  11.084   1.250
   79   1HB   TYR  23          2HB       TYR  23  -3.405  10.790   4.142
   80   2HB   TYR  23          1HB       TYR  23  -2.206  11.945   3.560
   81    HD1  TYR  23           HD2      TYR  23  -3.073  13.309   1.371
   82    HD2  TYR  23           HD1      TYR  23  -5.558  11.605   4.431
   83    HE1  TYR  23           HE2      TYR  23  -4.885  14.890   0.778
   84    HE2  TYR  23           HE1      TYR  23  -7.371  13.187   3.838
   85    HH   TYR  23           HH       TYR  23  -7.297  15.697   2.621
   86    H    VAL  24           H        VAL  24  -2.413   8.058   1.405
   87    HA   VAL  24           HA       VAL  24   0.153   7.881   2.926
   88    HB   VAL  24           HB       VAL  24  -1.767   6.537   3.848
   89   1HG1  VAL  24          1HG1      VAL  24  -2.415   6.022   1.293
   90   2HG1  VAL  24          3HG1      VAL  24  -1.436   4.592   1.618
   91   3HG1  VAL  24          2HG1      VAL  24  -2.852   4.935   2.610
   92   1HG2  VAL  24          3HG2      VAL  24   0.716   5.929   4.037
   93   2HG2  VAL  24          2HG2      VAL  24  -0.425   4.606   4.277
   94   3HG2  VAL  24          1HG2      VAL  24   0.425   4.770   2.740
   95    H    LYS  25           H        LYS  25   0.784   8.745   0.577
   96    HA   LYS  25           HA       LYS  25   0.713   7.091  -1.699
   97   1HB   LYS  25          2HB       LYS  25   2.038   9.445  -0.973
   98   2HB   LYS  25          1HB       LYS  25   3.340   8.314  -1.341
   99   1HG   LYS  25          2HG       LYS  25   1.021   8.395  -3.217
  100   2HG   LYS  25          1HG       LYS  25   2.150   9.750  -3.259
  101   1HD   LYS  25          2HD       LYS  25   3.863   8.475  -4.082
  102   2HD   LYS  25          1HD       LYS  25   3.368   7.043  -3.178
  103   1HE   LYS  25          2HE       LYS  25   1.812   6.396  -4.786
  104   2HE   LYS  25          1HE       LYS  25   1.626   8.035  -5.411
  105   1HZ   LYS  25          2HZ       LYS  25   4.305   7.083  -5.663
  106   2HZ   LYS  25          1HZ       LYS  25   3.203   6.071  -6.468
  107   3HZ   LYS  25          3HZ       LYS  25   3.271   7.722  -6.849
  108    H    GLU  26           H        GLU  26   1.595   5.089  -2.104
  109    HA   GLU  26           HA       GLU  26   3.824   4.203  -0.321
  110   1HB   GLU  26          2HB       GLU  26   2.819   2.045  -0.059
  111   2HB   GLU  26          1HB       GLU  26   1.559   3.229   0.292
  112   1HG   GLU  26          2HG       GLU  26   0.349   1.994  -1.198
  113   2HG   GLU  26          1HG       GLU  26   1.229   2.952  -2.390
  114    H    MET  27           H        MET  27   5.416   2.982  -1.296
  115    HA   MET  27           HA       MET  27   5.039   2.162  -4.123
  116   1HB   MET  27          2HB       MET  27   6.715   4.346  -3.200
  117   2HB   MET  27          1HB       MET  27   7.683   3.097  -3.984
  118   1HG   MET  27          2HG       MET  27   5.933   3.130  -5.857
  119   2HG   MET  27          1HG       MET  27   5.335   4.619  -5.127
  120   1HE   MET  27          2HE       MET  27   6.493   6.553  -4.659
  121   2HE   MET  27          1HE       MET  27   7.752   7.264  -5.666
  122   3HE   MET  27          3HE       MET  27   6.170   6.881  -6.360
  123    HA   PRO  28           HA       PRO  28   6.874  -1.360  -2.114
  124   1HB   PRO  28          2HB       PRO  28   6.828  -2.986  -4.338
  125   2HB   PRO  28          1HB       PRO  28   5.426  -2.694  -3.293
  126   1HG   PRO  28          2HG       PRO  28   6.027  -1.566  -5.999
  127   2HG   PRO  28          1HG       PRO  28   4.458  -1.901  -5.245
  128   1HD   PRO  28          2HD       PRO  28   5.619   0.639  -5.455
  129   2HD   PRO  28          1HD       PRO  28   4.332   0.200  -4.311
  130    H    ASP  29           H        ASP  29   8.241   0.631  -4.448
  131    HA   ASP  29           HA       ASP  29  10.598  -1.010  -4.994
  132   1HB   ASP  29          2HB       ASP  29  11.418   0.855  -6.231
  133   2HB   ASP  29          1HB       ASP  29   9.675   0.856  -6.506
  134    H    LYS  30           H        LYS  30   9.610   1.494  -2.744
  135    HA   LYS  30           HA       LYS  30  10.781   1.136  -0.499
  136   1HB   LYS  30          2HB       LYS  30  13.061   1.584  -2.401
  137   2HB   LYS  30          1HB       LYS  30  13.187   2.223  -0.764
  138   1HG   LYS  30          2HG       LYS  30  12.215  -0.566  -0.946
  139   2HG   LYS  30          1HG       LYS  30  13.891  -0.319  -1.436
  140   1HD   LYS  30          2HD       LYS  30  13.641   1.222   0.872
  141   2HD   LYS  30          1HD       LYS  30  12.714  -0.234   1.235
  142   1HE   LYS  30          2HE       LYS  30  14.585  -1.484   1.402
  143   2HE   LYS  30          1HE       LYS  30  15.210  -0.867  -0.127
  144   1HZ   LYS  30          2HZ       LYS  30  15.582   1.263   1.350
  145   2HZ   LYS  30          1HZ       LYS  30  15.650   0.108   2.593
  146   3HZ   LYS  30          3HZ       LYS  30  16.730   0.012   1.289
  147    H    THR  31           H        THR  31   8.927   2.844  -1.137
  148    HA   THR  31           HA       THR  31  10.032   5.426  -0.315
  149    HB   THR  31           HB       THR  31   9.912   6.562  -2.255
  150    HG1  THR  31           HG1      THR  31   8.060   6.761  -3.241
  151   1HG2  THR  31          3HG2      THR  31   9.645   3.749  -3.326
  152   2HG2  THR  31          2HG2      THR  31   9.984   5.149  -4.342
  153   3HG2  THR  31          1HG2      THR  31  11.132   4.667  -3.094
  154    H    PHE  32           H        PHE  32   8.369   6.963   0.234
  155    HA   PHE  32           HA       PHE  32   5.560   6.168   0.155
  156   1HB   PHE  32          2HB       PHE  32   7.234   5.740   2.575
  157   2HB   PHE  32          1HB       PHE  32   5.669   6.508   2.843
  158    HD1  PHE  32           HD2      PHE  32   3.574   5.351   2.248
  159    HD2  PHE  32           HD1      PHE  32   7.398   3.452   1.783
  160    HE1  PHE  32           HE2      PHE  32   2.453   3.152   2.010
  161    HE2  PHE  32           HE1      PHE  32   6.278   1.253   1.542
  162    HZ   PHE  32           HZ       PHE  32   3.804   1.104   1.657
  163    H    GLU  33           H        GLU  33   4.204   7.977   0.710
  164    HA   GLU  33           HA       GLU  33   5.576  10.445   1.601
  165   1HB   GLU  33          2HB       GLU  33   5.311  10.019  -1.078
  166   2HB   GLU  33          1HB       GLU  33   3.792  10.842  -0.725
  167   1HG   GLU  33          2HG       GLU  33   5.948  12.149   0.676
  168   2HG   GLU  33          1HG       GLU  33   6.345  12.020  -1.039
  169    H    CYS  34           H        CYS  34   4.299  10.600   3.439
  170    HA   CYS  34           HA       CYS  34   1.465  10.128   3.515
  171   1HB   CYS  34          2HB       CYS  34   3.012  10.245   5.511
  172   2HB   CYS  34          1HB       CYS  34   3.088  11.989   5.281
  173    H    LEU  35           H        LEU  35   0.320  11.255   1.935
  174    HA   LEU  35           HA       LEU  35   0.943  14.021   1.289
  175   1HB   LEU  35          2HB       LEU  35  -1.580  12.523   0.566
  176   2HB   LEU  35          1HB       LEU  35  -0.848  13.881  -0.288
  177    HG   LEU  35           HG       LEU  35   0.947  11.570   0.077
  178   1HD1  LEU  35           HD1      LEU  35  -1.519  10.722  -0.414
  179   2HD1  LEU  35           HD1      LEU  35  -1.137  11.253  -2.052
  180   3HD1  LEU  35           HD1      LEU  35  -0.143  10.025  -1.269
  181   1HD2  LEU  35           HD2      LEU  35   1.210  13.731  -1.340
  182   2HD2  LEU  35           HD2      LEU  35   1.677  12.200  -2.080
  183   3HD2  LEU  35           HD2      LEU  35   0.127  12.940  -2.485
  184    H    PHE  36           H        PHE  36  -0.338  12.902   4.046
  185    HA   PHE  36           HA       PHE  36  -2.789  14.269   4.410
  186   1HB   PHE  36          2HB       PHE  36  -1.879  12.712   6.075
  187   2HB   PHE  36          1HB       PHE  36  -0.540  13.814   6.394
  188    HD1  PHE  36           HD2      PHE  36  -0.996  16.070   7.394
  189    HD2  PHE  36           HD1      PHE  36  -4.032  13.057   7.042
  190    HE1  PHE  36           HE2      PHE  36  -2.369  17.261   9.075
  191    HE2  PHE  36           HE1      PHE  36  -5.407  14.246   8.723
  192    HZ   PHE  36           HZ       PHE  36  -4.581  16.352   9.740
  193    HA   PRO  37           HA       PRO  37  -1.475  18.465   4.155
  194   1HB   PRO  37          2HB       PRO  37  -3.691  19.609   5.328
  195   2HB   PRO  37          1HB       PRO  37  -3.660  19.008   3.661
  196   1HG   PRO  37          2HG       PRO  37  -4.911  17.780   6.079
  197   2HG   PRO  37          1HG       PRO  37  -5.373  17.626   4.375
  198   1HD   PRO  37          2HD       PRO  37  -3.954  15.700   5.862
  199   2HD   PRO  37          1HD       PRO  37  -4.073  15.753   4.090
  200    H    GLY  38           H        GLY  38   0.172  18.994   5.508
  201   1HA   GLY  38          2HA       GLY  38   0.632  20.371   7.561
  202   2HA   GLY  38          1HA       GLY  38  -0.445  19.266   8.423
  203    H    CYS  39           H        CYS  39   0.732  17.068   6.611
  204    HA   CYS  39           HA       CYS  39   2.734  16.158   8.502
  205   1HB   CYS  39          2HB       CYS  39   1.172  14.735   7.019
  206   2HB   CYS  39          1HB       CYS  39   2.327  15.046   5.724
  207    H    THR  40           H        THR  40   4.966  15.477   7.707
  208    HA   THR  40           HA       THR  40   6.091  16.946   5.451
  209    HB   THR  40           HB       THR  40   6.010  18.736   7.143
  210    HG1  THR  40           HG1      THR  40   8.684  17.951   7.174
  211   1HG2  THR  40          1HG2      THR  40   7.243  16.584   8.818
  212   2HG2  THR  40          3HG2      THR  40   7.686  18.261   9.139
  213   3HG2  THR  40          2HG2      THR  40   5.999  17.759   9.243
  214    H    LYS  41           H        LYS  41   5.910  14.163   6.488
  215    HA   LYS  41           HA       LYS  41   8.847  13.617   6.543
  216   1HB   LYS  41          2HB       LYS  41   7.218  13.295   8.747
  217   2HB   LYS  41          1HB       LYS  41   7.225  11.680   8.037
  218   1HG   LYS  41          2HG       LYS  41   9.683  11.685   8.003
  219   2HG   LYS  41          1HG       LYS  41   9.698  13.316   8.675
  220   1HD   LYS  41          2HD       LYS  41   8.723  10.779  10.005
  221   2HD   LYS  41          1HD       LYS  41  10.036  11.835  10.527
  222   1HE   LYS  41          2HE       LYS  41   8.233  13.680  10.685
  223   2HE   LYS  41          1HE       LYS  41   7.066  12.360  10.608
  224   1HZ   LYS  41          1HZ       LYS  41   9.288  12.500  12.568
  225   2HZ   LYS  41          3HZ       LYS  41   7.703  13.008  12.895
  226   3HZ   LYS  41          2HZ       LYS  41   8.015  11.376  12.542
  227    H    THR  42           H        THR  42   9.440  12.144   5.036
  228    HA   THR  42           HA       THR  42   7.290  10.474   3.789
  229    HB   THR  42           HB       THR  42   8.379  10.653   1.734
  230    HG1  THR  42           HG1      THR  42  10.511  10.830   1.535
  231   1HG2  THR  42          3HG2      THR  42   7.628  12.911   2.777
  232   2HG2  THR  42          2HG2      THR  42   9.355  13.237   2.930
  233   3HG2  THR  42          1HG2      THR  42   8.649  12.955   1.339
  234    H    PHE  43           H        PHE  43   7.934   8.244   3.229
  235    HA   PHE  43           HA       PHE  43  10.318   7.302   4.765
  236   1HB   PHE  43          2HB       PHE  43   7.846   5.614   4.631
  237   2HB   PHE  43          1HB       PHE  43   9.114   5.640   5.854
  238    HD1  PHE  43           HD1      PHE  43   6.433   7.829   4.400
  239    HD2  PHE  43           HD2      PHE  43   8.745   6.775   7.865
  240    HE1  PHE  43           HE1      PHE  43   5.082   9.387   5.775
  241    HE2  PHE  43           HE2      PHE  43   7.391   8.334   9.240
  242    HZ   PHE  43           HZ       PHE  43   5.559   9.637   8.194
  243    H    LYS  44           H        LYS  44  10.113   4.611   4.176
  244    HA   LYS  44           HA       LYS  44   9.614   4.037   1.397
  245   1HB   LYS  44          2HB       LYS  44  12.129   3.706   0.879
  246   2HB   LYS  44          1HB       LYS  44  11.502   5.354   0.824
  247   1HG   LYS  44          2HG       LYS  44  12.880   5.994   2.485
  248   2HG   LYS  44          1HG       LYS  44  12.316   4.679   3.517
  249   1HD   LYS  44          2HD       LYS  44  13.850   3.286   1.760
  250   2HD   LYS  44          1HD       LYS  44  14.716   4.822   1.785
  251   1HE   LYS  44          2HE       LYS  44  14.101   2.992   4.109
  252   2HE   LYS  44          1HE       LYS  44  15.678   3.549   3.547
  253   1HZ   LYS  44          3HZ       LYS  44  14.257   5.835   4.058
  254   2HZ   LYS  44          2HZ       LYS  44  13.861   4.800   5.347
  255   3HZ   LYS  44          1HZ       LYS  44  15.486   5.175   5.024
  256    H    ARG  45           H        ARG  45   8.775   2.058   2.185
  257    HA   ARG  45           HA       ARG  45  10.540  -0.119   2.544
  258   1HB   ARG  45          2HB       ARG  45  11.250   0.834   4.632
  259   2HB   ARG  45          1HB       ARG  45   9.584   1.140   5.126
  260   1HG   ARG  45          2HG       ARG  45   9.190  -1.357   5.018
  261   2HG   ARG  45          1HG       ARG  45  10.928  -1.553   4.781
  262   1HD   ARG  45          2HD       ARG  45  11.283  -0.257   6.915
  263   2HD   ARG  45          1HD       ARG  45   9.539  -0.315   7.173
  264    HE   ARG  45           HE       ARG  45  10.257  -2.969   6.770
  265   1HH1  ARG  45           HH2      ARG  45  10.006  -0.741   9.242
  266   2HH1  ARG  45           HH2      ARG  45  10.971  -1.619  10.382
  267   1HH2  ARG  45           HH1      ARG  45  12.039  -3.971   8.067
  268   2HH2  ARG  45           HH1      ARG  45  12.122  -3.448   9.717
  269    H    ARG  46           H        ARG  46   7.743   0.509   4.667
  270    HA   ARG  46           HA       ARG  46   6.115  -1.285   2.929
  271   1HB   ARG  46          2HB       ARG  46   7.326  -2.198   5.229
  272   2HB   ARG  46          1HB       ARG  46   5.729  -1.724   5.811
  273   1HG   ARG  46          2HG       ARG  46   5.318  -3.907   5.112
  274   2HG   ARG  46          1HG       ARG  46   4.897  -3.001   3.657
  275   1HD   ARG  46          2HD       ARG  46   6.331  -4.512   2.691
  276   2HD   ARG  46          1HD       ARG  46   7.530  -3.324   3.204
  277    HE   ARG  46           HE       ARG  46   8.271  -4.852   4.859
  278   1HH1  ARG  46           HH1      ARG  46   6.130  -5.704   6.433
  279   2HH1  ARG  46           HH1      ARG  46   5.727  -7.295   5.879
  280   1HH2  ARG  46           HH2      ARG  46   7.383  -6.948   2.852
  281   2HH2  ARG  46           HH2      ARG  46   6.437  -8.000   3.852
  282    H    TYR  47           H        TYR  47   3.991  -1.412   4.915
  283    HA   TYR  47           HA       TYR  47   2.914   1.327   4.530
  284   1HB   TYR  47          2HB       TYR  47   0.960  -0.344   5.741
  285   2HB   TYR  47          1HB       TYR  47   0.989   0.239   4.079
  286    HD1  TYR  47           HD1      TYR  47   1.903  -2.540   6.331
  287    HD2  TYR  47           HD2      TYR  47   1.748  -1.162   2.269
  288    HE1  TYR  47           HE1      TYR  47   2.327  -4.853   5.530
  289    HE2  TYR  47           HE2      TYR  47   2.170  -3.473   1.463
  290    HH   TYR  47           HH       TYR  47   2.289  -6.203   3.710
  291    H    ASN  48           H        ASN  48   4.880   1.073   6.535
  292    HA   ASN  48           HA       ASN  48   3.438   0.777   9.070
  293   1HB   ASN  48          2HB       ASN  48   6.300   1.253   8.288
  294   2HB   ASN  48          1HB       ASN  48   5.785   1.630   9.933
  295   1HD2  ASN  48           HD2      ASN  48   5.899  -2.283   8.705
  296   2HD2  ASN  48           HD2      ASN  48   5.953  -1.040   7.551
  297    H    ILE  49           H        ILE  49   4.775   3.307   7.034
  298    HA   ILE  49           HA       ILE  49   4.524   5.485   8.838
  299    HB   ILE  49           HB       ILE  49   5.045   6.814   7.068
  300   1HG1  ILE  49          2HG1      ILE  49   2.674   6.792   6.277
  301   2HG1  ILE  49          1HG1      ILE  49   3.838   6.889   4.956
  302   1HG2  ILE  49          2HG2      ILE  49   6.371   4.720   6.667
  303   2HG2  ILE  49          1HG2      ILE  49   5.144   4.234   5.493
  304   3HG2  ILE  49          3HG2      ILE  49   6.099   5.688   5.220
  305   1HD1  ILE  49           HD1      ILE  49   3.349   4.130   5.588
  306   2HD1  ILE  49           HD1      ILE  49   1.810   4.950   5.332
  307   3HD1  ILE  49           HD1      ILE  49   3.047   4.985   4.076
  308    H    ARG  50           H        ARG  50   2.157   3.696   6.989
  309    HA   ARG  50           HA       ARG  50  -0.065   5.412   7.079
  310   1HB   ARG  50          2HB       ARG  50  -0.062   3.148   6.021
  311   2HB   ARG  50          1HB       ARG  50  -0.079   2.425   7.629
  312   1HG   ARG  50          2HG       ARG  50  -2.197   3.721   8.096
  313   2HG   ARG  50          1HG       ARG  50  -2.213   4.186   6.394
  314   1HD   ARG  50          2HD       ARG  50  -2.696   2.044   5.667
  315   2HD   ARG  50          1HD       ARG  50  -1.915   1.285   7.055
  316    HE   ARG  50           HE       ARG  50  -4.137   2.662   8.083
  317   1HH1  ARG  50           HH2      ARG  50  -3.209  -0.210   6.510
  318   2HH1  ARG  50           HH2      ARG  50  -4.807  -0.874   6.447
  319   1HH2  ARG  50           HH1      ARG  50  -6.327   1.979   7.705
  320   2HH2  ARG  50           HH1      ARG  50  -6.574   0.366   7.123
  321    H    SER  51           H        SER  51   0.999   3.071   9.569
  322    HA   SER  51           HA       SER  51  -0.914   3.790  11.539
  323   1HB   SER  51          2HB       SER  51   0.955   1.905  11.499
  324   2HB   SER  51          1HB       SER  51   1.898   3.127  12.347
  325    HG   SER  51           HG       SER  51   0.748   1.879  13.830
  326    H    HIS  52           H        HIS  52   2.210   5.182  10.651
  327    HA   HIS  52           HA       HIS  52   2.482   7.039  12.777
  328   1HB   HIS  52          2HB       HIS  52   4.370   7.343  11.536
  329   2HB   HIS  52          1HB       HIS  52   3.610   6.668  10.102
  330    HD1  HIS  52           HD1      HIS  52   5.070   9.716  11.221
  331    HD2  HIS  52           HD2      HIS  52   1.702   8.819   8.949
  332    HE1  HIS  52           HE1      HIS  52   4.411  11.856  10.035
  333    H    ILE  53           H        ILE  53   0.574   7.189   9.815
  334    HA   ILE  53           HA       ILE  53  -0.315   9.905  10.178
  335    HB   ILE  53           HB       ILE  53  -1.906   7.704   8.820
  336   1HG1  ILE  53          2HG1      ILE  53   0.429   9.273   7.679
  337   2HG1  ILE  53          1HG1      ILE  53   0.412   7.539   8.002
  338   1HG2  ILE  53          1HG2      ILE  53  -2.896   9.970   9.095
  339   2HG2  ILE  53          3HG2      ILE  53  -1.547  10.638   8.178
  340   3HG2  ILE  53          2HG2      ILE  53  -2.671   9.520   7.404
  341   1HD1  ILE  53           HD1      ILE  53  -1.833   7.783   6.479
  342   2HD1  ILE  53           HD1      ILE  53  -0.830   9.057   5.786
  343   3HD1  ILE  53           HD1      ILE  53  -0.243   7.395   5.820
  344    H    GLN  54           H        GLN  54  -2.065   6.834  10.645
  345    HA   GLN  54           HA       GLN  54  -4.329   7.684  11.939
  346   1HB   GLN  54          2HB       GLN  54  -2.884   5.238  11.794
  347   2HB   GLN  54          1HB       GLN  54  -3.297   5.497  13.490
  348   1HG   GLN  54          2HG       GLN  54  -5.383   4.790  13.024
  349   2HG   GLN  54          1HG       GLN  54  -5.593   6.233  12.030
  350   1HE2  GLN  54          2HE2      GLN  54  -4.311   4.241   9.096
  351   2HE2  GLN  54          1HE2      GLN  54  -3.706   5.578   9.949
  352    H    THR  55           H        THR  55  -1.056   7.769  13.218
  353    HA   THR  55           HA       THR  55  -1.970   8.351  15.926
  354    HB   THR  55           HB       THR  55   0.767   9.065  14.902
  355    HG1  THR  55           HG1      THR  55   0.180   6.468  15.768
  356   1HG2  THR  55          3HG2      THR  55  -0.445   8.104  17.491
  357   2HG2  THR  55          2HG2      THR  55   1.293   8.016  17.203
  358   3HG2  THR  55          1HG2      THR  55   0.475   9.579  17.189
  359    H    HIS  56           H        HIS  56  -0.539  10.270  13.283
  360    HA   HIS  56           HA       HIS  56  -1.345  12.695  14.739
  361   1HB   HIS  56          2HB       HIS  56   0.286  13.794  13.612
  362   2HB   HIS  56          1HB       HIS  56   0.938  12.180  13.476
  363    HD1  HIS  56           HD1      HIS  56  -1.074  14.687  11.417
  364    HD2  HIS  56           HD2      HIS  56   1.370  11.367  10.905
  365    HE1  HIS  56           HE1      HIS  56  -0.395  14.655   8.973
  366    H    LEU  57           H        LEU  57  -3.131  10.734  13.336
  367    HA   LEU  57           HA       LEU  57  -4.667  12.772  11.827
  368   1HB   LEU  57          2HB       LEU  57  -3.651  10.222  10.810
  369   2HB   LEU  57          1HB       LEU  57  -5.396  10.382  10.625
  370    HG   LEU  57           HG       LEU  57  -4.860  12.765   9.745
  371   1HD1  LEU  57           HD1      LEU  57  -2.198  11.575  10.099
  372   2HD1  LEU  57           HD1      LEU  57  -2.458  12.237   8.486
  373   3HD1  LEU  57           HD1      LEU  57  -2.656  13.266   9.903
  374   1HD2  LEU  57           HD2      LEU  57  -4.935  10.163   8.487
  375   2HD2  LEU  57           HD2      LEU  57  -5.543  11.702   7.876
  376   3HD2  LEU  57           HD2      LEU  57  -3.869  11.236   7.580
  377    H    GLU  58           H        GLU  58  -4.561  10.244  14.181
  378    HA   GLU  58           HA       GLU  58  -7.434   9.723  14.157
  379   1HB   GLU  58          2HB       GLU  58  -6.980   8.460  16.232
  380   2HB   GLU  58          1HB       GLU  58  -5.852   8.008  14.955
  381   1HG   GLU  58          2HG       GLU  58  -4.306   9.834  15.964
  382   2HG   GLU  58          1HG       GLU  58  -5.353   9.733  17.379
  383    H    ASP  59           H        ASP  59  -5.188  11.643  16.148
  384    HA   ASP  59           HA       ASP  59  -7.502  13.294  16.998
  385   1HB   ASP  59          2HB       ASP  59  -6.976  11.455  18.723
  386   2HB   ASP  59          1HB       ASP  59  -5.479  12.338  19.027
  387    H    ARG  60           H        ARG  60  -4.075  13.054  18.001
  388    HA   ARG  60           HA       ARG  60  -3.577  15.812  18.117
  389   1HB   ARG  60          2HB       ARG  60  -1.930  13.376  17.847
  390   2HB   ARG  60          1HB       ARG  60  -1.162  14.849  17.252
  391   1HG   ARG  60          2HG       ARG  60  -2.257  15.736  19.596
  392   2HG   ARG  60          1HG       ARG  60  -1.854  14.072  20.017
  393   1HD   ARG  60          2HD       ARG  60   0.453  14.500  19.045
  394   2HD   ARG  60          1HD       ARG  60   0.013  16.206  18.955
  395    HE   ARG  60           HE       ARG  60  -0.279  16.117  21.455
  396   1HH1  ARG  60           HH2      ARG  60   2.215  14.579  19.805
  397   2HH1  ARG  60           HH2      ARG  60   2.824  13.716  21.178
  398   1HH2  ARG  60           HH1      ARG  60   0.187  14.610  23.244
  399   2HH2  ARG  60           HH1      ARG  60   1.677  13.733  23.123
   
  No H/Q in entry =         399
  Start of MODEL   37
    1   1H    THR  14          2H        THR  14 -21.073   6.282   2.425
    2   2H    THR  14          1H        THR  14 -22.391   5.420   3.062
    3   3H    THR  14          3H        THR  14 -21.893   6.868   3.793
    4    HA   THR  14           HA       THR  14 -20.427   5.827   5.065
    5    HB   THR  14           HB       THR  14 -20.679   3.423   5.312
    6    HG1  THR  14           HG1      THR  14 -20.565   2.914   3.092
    7   1HG2  THR  14          1HG2      THR  14 -22.610   5.049   5.857
    8   2HG2  THR  14          3HG2      THR  14 -23.381   4.407   4.406
    9   3HG2  THR  14          2HG2      THR  14 -22.998   3.332   5.751
   10    H    LEU  15           H        LEU  15 -18.238   5.341   5.032
   11    HA   LEU  15           HA       LEU  15 -16.975   3.872   2.889
   12   1HB   LEU  15          2HB       LEU  15 -17.555   6.219   1.907
   13   2HB   LEU  15          1HB       LEU  15 -16.230   6.790   2.922
   14    HG   LEU  15           HG       LEU  15 -15.090   4.592   1.763
   15   1HD1  LEU  15           HD1      LEU  15 -17.350   5.467   0.086
   16   2HD1  LEU  15           HD1      LEU  15 -15.812   5.370  -0.771
   17   3HD1  LEU  15           HD1      LEU  15 -16.450   3.950   0.059
   18   1HD2  LEU  15           HD2      LEU  15 -15.106   7.520   1.235
   19   2HD2  LEU  15           HD2      LEU  15 -13.760   6.461   1.658
   20   3HD2  LEU  15           HD2      LEU  15 -14.360   6.508   0.000
   21    HA   PRO  16           HA       PRO  16 -14.566   4.149   6.756
   22   1HB   PRO  16          2HB       PRO  16 -14.048   1.450   6.846
   23   2HB   PRO  16          1HB       PRO  16 -15.503   2.192   7.535
   24   1HG   PRO  16          2HG       PRO  16 -15.214   0.592   5.032
   25   2HG   PRO  16          1HG       PRO  16 -16.632   0.800   6.073
   26   1HD   PRO  16          2HD       PRO  16 -16.186   2.112   3.608
   27   2HD   PRO  16          1HD       PRO  16 -17.410   2.554   4.818
   28    H    ARG  17           H        ARG  17 -12.269   4.019   6.967
   29    HA   ARG  17           HA       ARG  17 -10.038   3.773   6.254
   30   1HB   ARG  17          2HB       ARG  17 -11.443   1.667   4.921
   31   2HB   ARG  17          1HB       ARG  17 -10.330   2.401   3.767
   32   1HG   ARG  17          2HG       ARG  17  -9.226   0.588   5.030
   33   2HG   ARG  17          1HG       ARG  17  -8.481   2.148   5.378
   34   1HD   ARG  17          2HD       ARG  17 -10.679   1.714   7.188
   35   2HD   ARG  17          1HD       ARG  17  -9.596   0.323   7.235
   36    HE   ARG  17           HE       ARG  17  -8.783   3.130   7.837
   37   1HH1  ARG  17           HH1      ARG  17  -6.279   2.431   7.372
   38   2HH1  ARG  17           HH1      ARG  17  -5.756   1.314   8.589
   39   1HH2  ARG  17           HH2      ARG  17  -8.972   0.515   9.612
   40   2HH2  ARG  17           HH2      ARG  17  -7.281   0.229   9.857
   41    H    GLY  18           H        GLY  18 -11.377   6.103   5.641
   42   1HA   GLY  18          2HA       GLY  18 -10.417   6.684   2.866
   43   2HA   GLY  18          1HA       GLY  18 -11.864   7.436   3.540
   44    H    SER  19           H        SER  19  -9.299   6.966   5.770
   45    HA   SER  19           HA       SER  19  -8.590   9.850   5.528
   46   1HB   SER  19          2HB       SER  19  -8.494   8.197   8.057
   47   2HB   SER  19          1HB       SER  19  -8.333   9.945   7.915
   48    HG   SER  19           HG       SER  19 -10.546   9.671   6.852
   49    H    ILE  20           H        ILE  20  -7.378   6.636   6.422
   50    HA   ILE  20           HA       ILE  20  -4.608   7.544   6.508
   51    HB   ILE  20           HB       ILE  20  -5.401   4.660   6.213
   52   1HG1  ILE  20          2HG1      ILE  20  -7.023   5.430   7.808
   53   2HG1  ILE  20          1HG1      ILE  20  -5.723   4.692   8.744
   54   1HG2  ILE  20          3HG2      ILE  20  -3.013   5.347   6.390
   55   2HG2  ILE  20          2HG2      ILE  20  -3.365   6.092   7.948
   56   3HG2  ILE  20          1HG2      ILE  20  -3.522   4.348   7.750
   57   1HD1  ILE  20           HD1      ILE  20  -4.717   7.086   8.819
   58   2HD1  ILE  20           HD1      ILE  20  -6.333   7.616   8.354
   59   3HD1  ILE  20           HD1      ILE  20  -6.095   6.731   9.861
   60    H    ASP  21           H        ASP  21  -6.586   5.615   4.278
   61    HA   ASP  21           HA       ASP  21  -4.447   5.325   2.336
   62   1HB   ASP  21          2HB       ASP  21  -7.423   4.833   2.281
   63   2HB   ASP  21          1HB       ASP  21  -6.446   4.684   0.820
   64    H    LYS  22           H        LYS  22  -6.457   7.912   3.195
   65    HA   LYS  22           HA       LYS  22  -6.472   9.103   0.489
   66   1HB   LYS  22          2HB       LYS  22  -8.311   9.277   2.411
   67   2HB   LYS  22          1HB       LYS  22  -7.304  10.631   2.923
   68   1HG   LYS  22          2HG       LYS  22  -7.484  11.645   0.701
   69   2HG   LYS  22          1HG       LYS  22  -8.426  10.267   0.130
   70   1HD   LYS  22          2HD       LYS  22 -10.063  11.884   0.669
   71   2HD   LYS  22          1HD       LYS  22 -10.041  10.817   2.074
   72   1HE   LYS  22          2HE       LYS  22  -8.858  12.362   3.389
   73   2HE   LYS  22          1HE       LYS  22  -8.266  13.246   1.983
   74   1HZ   LYS  22          2HZ       LYS  22 -11.078  13.250   1.965
   75   2HZ   LYS  22          1HZ       LYS  22 -10.543  13.770   3.492
   76   3HZ   LYS  22          3HZ       LYS  22 -10.016  14.571   2.093
   77    H    TYR  23           H        TYR  23  -4.212   8.791   2.866
   78    HA   TYR  23           HA       TYR  23  -2.761  11.178   1.892
   79   1HB   TYR  23          2HB       TYR  23  -3.536  10.696   4.771
   80   2HB   TYR  23          1HB       TYR  23  -2.128  11.670   4.347
   81    HD1  TYR  23           HD2      TYR  23  -2.865  13.170   2.028
   82    HD2  TYR  23           HD1      TYR  23  -5.307  12.084   5.390
   83    HE1  TYR  23           HE2      TYR  23  -4.340  15.113   1.584
   84    HE2  TYR  23           HE1      TYR  23  -6.782  14.027   4.946
   85    HH   TYR  23           HH       TYR  23  -6.314  16.435   3.669
   86    H    VAL  24           H        VAL  24  -2.568   8.164   1.776
   87    HA   VAL  24           HA       VAL  24   0.145   7.902   3.012
   88    HB   VAL  24           HB       VAL  24  -1.998   5.830   2.483
   89   1HG1  VAL  24          1HG1      VAL  24   0.920   5.562   2.542
   90   2HG1  VAL  24          3HG1      VAL  24   0.115   4.545   3.737
   91   3HG1  VAL  24          2HG1      VAL  24  -0.304   4.399   2.029
   92   1HG2  VAL  24          3HG2      VAL  24  -1.825   7.317   4.633
   93   2HG2  VAL  24          2HG2      VAL  24  -2.062   5.578   4.812
   94   3HG2  VAL  24          1HG2      VAL  24  -0.458   6.275   5.030
   95    H    LYS  25           H        LYS  25   1.731   7.933   1.501
   96    HA   LYS  25           HA       LYS  25   1.026   7.166  -1.291
   97   1HB   LYS  25          2HB       LYS  25   2.055   9.422  -0.869
   98   2HB   LYS  25          1HB       LYS  25   3.507   8.598  -0.297
   99   1HG   LYS  25          2HG       LYS  25   4.081   7.843  -2.403
  100   2HG   LYS  25          1HG       LYS  25   2.407   7.797  -2.957
  101   1HD   LYS  25          2HD       LYS  25   2.340  10.220  -3.129
  102   2HD   LYS  25          1HD       LYS  25   3.951  10.349  -2.423
  103   1HE   LYS  25          2HE       LYS  25   4.122   8.538  -4.616
  104   2HE   LYS  25          1HE       LYS  25   3.251   9.967  -5.172
  105   1HZ   LYS  25          2HZ       LYS  25   5.114  11.228  -3.946
  106   2HZ   LYS  25          1HZ       LYS  25   5.973   9.768  -4.070
  107   3HZ   LYS  25          3HZ       LYS  25   5.443  10.559  -5.472
  108    H    GLU  26           H        GLU  26   1.522   5.085  -1.771
  109    HA   GLU  26           HA       GLU  26   3.944   3.893  -0.479
  110   1HB   GLU  26          2HB       GLU  26   2.794   1.684  -1.097
  111   2HB   GLU  26          1HB       GLU  26   2.043   2.622   0.195
  112   1HG   GLU  26          2HG       GLU  26   0.173   3.019  -1.023
  113   2HG   GLU  26          1HG       GLU  26   1.094   3.353  -2.489
  114    H    MET  27           H        MET  27   5.587   4.070  -1.949
  115    HA   MET  27           HA       MET  27   4.978   3.754  -4.829
  116   1HB   MET  27          2HB       MET  27   7.668   4.357  -3.586
  117   2HB   MET  27          1HB       MET  27   7.143   4.677  -5.239
  118   1HG   MET  27          2HG       MET  27   5.287   5.936  -3.469
  119   2HG   MET  27          1HG       MET  27   6.915   6.385  -2.961
  120   1HE   MET  27          3HE       MET  27   8.677   6.575  -4.555
  121   2HE   MET  27          2HE       MET  27   8.423   6.410  -6.290
  122   3HE   MET  27          1HE       MET  27   8.642   8.011  -5.587
  123    HA   PRO  28           HA       PRO  28   6.304  -0.455  -4.718
  124   1HB   PRO  28          2HB       PRO  28   6.562  -0.783  -7.442
  125   2HB   PRO  28          1HB       PRO  28   5.010  -0.811  -6.588
  126   1HG   PRO  28          2HG       PRO  28   6.198   1.365  -8.261
  127   2HG   PRO  28          1HG       PRO  28   4.494   0.961  -7.989
  128   1HD   PRO  28          2HD       PRO  28   5.854   3.073  -6.746
  129   2HD   PRO  28          1HD       PRO  28   4.341   2.349  -6.158
  130    H    ASP  29           H        ASP  29   8.153   2.204  -5.620
  131    HA   ASP  29           HA       ASP  29  10.531   0.635  -6.379
  132   1HB   ASP  29          2HB       ASP  29  11.587   2.750  -6.813
  133   2HB   ASP  29          1HB       ASP  29   9.947   2.875  -7.449
  134    H    LYS  30           H        LYS  30   9.071   0.774  -3.642
  135    HA   LYS  30           HA       LYS  30   9.788   0.457  -1.444
  136   1HB   LYS  30          2HB       LYS  30  12.291   0.333  -2.960
  137   2HB   LYS  30          1HB       LYS  30  12.509   1.001  -1.343
  138   1HG   LYS  30          2HG       LYS  30  12.233  -1.028  -0.409
  139   2HG   LYS  30          1HG       LYS  30  10.712  -1.268  -1.271
  140   1HD   LYS  30          2HD       LYS  30  11.717  -2.750  -2.629
  141   2HD   LYS  30          1HD       LYS  30  12.831  -1.493  -3.169
  142   1HE   LYS  30          2HE       LYS  30  14.502  -2.168  -1.744
  143   2HE   LYS  30          1HE       LYS  30  13.370  -2.706  -0.505
  144   1HZ   LYS  30          1HZ       LYS  30  12.804  -4.429  -2.429
  145   2HZ   LYS  30          3HZ       LYS  30  14.434  -4.145  -2.798
  146   3HZ   LYS  30          2HZ       LYS  30  14.001  -4.718  -1.259
  147    H    THR  31           H        THR  31   8.592   2.738  -1.882
  148    HA   THR  31           HA       THR  31  10.181   4.673  -0.307
  149    HB   THR  31           HB       THR  31   8.622   5.707  -2.628
  150    HG1  THR  31           HG1      THR  31  11.278   4.727  -2.688
  151   1HG2  THR  31          2HG2      THR  31  10.784   6.624  -0.792
  152   2HG2  THR  31          1HG2      THR  31  10.751   7.292  -2.424
  153   3HG2  THR  31          3HG2      THR  31   9.357   7.488  -1.362
  154    H    PHE  32           H        PHE  32   8.618   6.645   0.183
  155    HA   PHE  32           HA       PHE  32   5.782   5.971   0.315
  156   1HB   PHE  32          2HB       PHE  32   7.572   5.338   2.545
  157   2HB   PHE  32          1HB       PHE  32   6.239   6.390   3.017
  158    HD1  PHE  32           HD1      PHE  32   7.153   3.101   1.623
  159    HD2  PHE  32           HD2      PHE  32   3.935   5.636   2.908
  160    HE1  PHE  32           HE1      PHE  32   5.617   1.159   1.598
  161    HE2  PHE  32           HE2      PHE  32   2.398   3.693   2.888
  162    HZ   PHE  32           HZ       PHE  32   3.236   1.454   2.236
  163    H    GLU  33           H        GLU  33   4.520   7.789   1.081
  164    HA   GLU  33           HA       GLU  33   5.903  10.208   1.978
  165   1HB   GLU  33          2HB       GLU  33   6.112  10.049  -0.608
  166   2HB   GLU  33          1HB       GLU  33   4.390  10.437  -0.617
  167   1HG   GLU  33          2HG       GLU  33   4.748  12.528   0.460
  168   2HG   GLU  33          1HG       GLU  33   6.398  12.098   0.913
  169    H    CYS  34           H        CYS  34   4.525  10.767   3.587
  170    HA   CYS  34           HA       CYS  34   1.712  10.121   3.603
  171   1HB   CYS  34          2HB       CYS  34   3.189  10.511   5.628
  172   2HB   CYS  34          1HB       CYS  34   3.142  12.229   5.250
  173    H    LEU  35           H        LEU  35   0.375  11.072   2.112
  174    HA   LEU  35           HA       LEU  35   0.936  13.703   1.002
  175   1HB   LEU  35          2HB       LEU  35  -1.671  12.203   0.750
  176   2HB   LEU  35          1HB       LEU  35  -0.950  13.339  -0.390
  177    HG   LEU  35           HG       LEU  35   0.894  11.183   0.137
  178   1HD1  LEU  35           HD1      LEU  35  -1.485  10.132   0.555
  179   2HD1  LEU  35           HD1      LEU  35  -1.613  10.211  -1.202
  180   3HD1  LEU  35           HD1      LEU  35  -0.318   9.278  -0.453
  181   1HD2  LEU  35           HD2      LEU  35  -0.597  12.272  -2.260
  182   2HD2  LEU  35           HD2      LEU  35   1.104  12.489  -1.845
  183   3HD2  LEU  35           HD2      LEU  35   0.525  10.917  -2.396
  184    H    PHE  36           H        PHE  36  -0.112  13.010   3.995
  185    HA   PHE  36           HA       PHE  36  -2.500  14.568   4.276
  186   1HB   PHE  36          2HB       PHE  36  -1.520  12.962   5.984
  187   2HB   PHE  36          1HB       PHE  36  -0.340  14.216   6.369
  188    HD1  PHE  36           HD1      PHE  36  -3.898  13.270   6.494
  189    HD2  PHE  36           HD2      PHE  36  -1.001  16.273   7.496
  190    HE1  PHE  36           HE1      PHE  36  -5.546  14.357   7.990
  191    HE2  PHE  36           HE2      PHE  36  -2.648  17.365   8.990
  192    HZ   PHE  36           HZ       PHE  36  -4.922  16.408   9.238
  193    HA   PRO  37           HA       PRO  37  -0.769  18.593   3.774
  194   1HB   PRO  37          2HB       PRO  37  -2.877  20.014   4.835
  195   2HB   PRO  37          1HB       PRO  37  -2.884  19.313   3.208
  196   1HG   PRO  37          2HG       PRO  37  -4.279  18.360   5.671
  197   2HG   PRO  37          1HG       PRO  37  -4.735  18.152   3.971
  198   1HD   PRO  37          2HD       PRO  37  -3.533  16.187   5.587
  199   2HD   PRO  37          1HD       PRO  37  -3.621  16.149   3.814
  200    H    GLY  38           H        GLY  38   0.872  19.169   5.118
  201   1HA   GLY  38          2HA       GLY  38   1.432  20.561   7.108
  202   2HA   GLY  38          1HA       GLY  38   0.232  19.622   8.003
  203    H    CYS  39           H        CYS  39   1.303  17.233   6.307
  204    HA   CYS  39           HA       CYS  39   3.106  16.241   8.350
  205   1HB   CYS  39          2HB       CYS  39   1.516  14.908   6.782
  206   2HB   CYS  39          1HB       CYS  39   2.820  15.036   5.602
  207    H    THR  40           H        THR  40   5.308  15.329   7.689
  208    HA   THR  40           HA       THR  40   6.688  16.634   5.476
  209    HB   THR  40           HB       THR  40   8.046  17.312   7.997
  210    HG1  THR  40           HG1      THR  40   6.587  19.127   8.286
  211   1HG2  THR  40          3HG2      THR  40   8.050  18.103   5.315
  212   2HG2  THR  40          2HG2      THR  40   7.367  19.478   6.182
  213   3HG2  THR  40          1HG2      THR  40   8.955  18.854   6.629
  214    H    LYS  41           H        LYS  41   6.171  13.942   6.782
  215    HA   LYS  41           HA       LYS  41   9.040  13.129   7.054
  216   1HB   LYS  41          2HB       LYS  41   6.641  12.464   8.669
  217   2HB   LYS  41          1HB       LYS  41   7.719  11.116   8.305
  218   1HG   LYS  41          2HG       LYS  41   9.163  11.833   9.870
  219   2HG   LYS  41          1HG       LYS  41   9.326  13.372   9.024
  220   1HD   LYS  41          2HD       LYS  41   7.258  12.650  11.119
  221   2HD   LYS  41          1HD       LYS  41   8.546  13.846  11.262
  222   1HE   LYS  41          2HE       LYS  41   7.330  14.761   9.026
  223   2HE   LYS  41          1HE       LYS  41   5.947  14.026   9.837
  224   1HZ   LYS  41          2HZ       LYS  41   7.041  15.293  11.875
  225   2HZ   LYS  41          1HZ       LYS  41   7.561  16.319  10.624
  226   3HZ   LYS  41          3HZ       LYS  41   5.905  16.029  10.848
  227    H    THR  42           H        THR  42   9.700  11.432   5.765
  228    HA   THR  42           HA       THR  42   7.596  10.133   4.079
  229    HB   THR  42           HB       THR  42   9.043  10.173   2.220
  230    HG1  THR  42           HG1      THR  42  10.917   9.495   3.272
  231   1HG2  THR  42          3HG2      THR  42   8.513  12.573   3.647
  232   2HG2  THR  42          2HG2      THR  42  10.128  12.721   2.955
  233   3HG2  THR  42          1HG2      THR  42   8.750  12.377   1.910
  234    H    PHE  43           H        PHE  43   8.491   7.963   3.159
  235    HA   PHE  43           HA       PHE  43  10.403   6.620   4.967
  236   1HB   PHE  43          2HB       PHE  43   7.736   5.290   4.593
  237   2HB   PHE  43          1HB       PHE  43   8.924   5.064   5.877
  238    HD1  PHE  43           HD1      PHE  43   6.530   7.564   4.465
  239    HD2  PHE  43           HD2      PHE  43   8.736   6.248   7.907
  240    HE1  PHE  43           HE1      PHE  43   5.331   9.221   5.868
  241    HE2  PHE  43           HE2      PHE  43   7.537   7.904   9.310
  242    HZ   PHE  43           HZ       PHE  43   5.834   9.391   8.289
  243    H    LYS  44           H        LYS  44   9.738   3.975   4.153
  244    HA   LYS  44           HA       LYS  44   9.565   3.892   1.243
  245   1HB   LYS  44          2HB       LYS  44  11.878   2.798   1.058
  246   2HB   LYS  44          1HB       LYS  44  11.856   4.547   1.288
  247   1HG   LYS  44          2HG       LYS  44  12.582   4.407   3.489
  248   2HG   LYS  44          1HG       LYS  44  11.934   2.782   3.709
  249   1HD   LYS  44          2HD       LYS  44  14.104   2.140   3.456
  250   2HD   LYS  44          1HD       LYS  44  13.766   2.338   1.736
  251   1HE   LYS  44          2HE       LYS  44  14.695   4.664   3.418
  252   2HE   LYS  44          1HE       LYS  44  15.849   3.543   2.695
  253   1HZ   LYS  44          3HZ       LYS  44  13.748   4.987   1.176
  254   2HZ   LYS  44          2HZ       LYS  44  15.364   5.498   1.295
  255   3HZ   LYS  44          1HZ       LYS  44  14.989   4.027   0.533
  256    H    ARG  45           H        ARG  45   8.504   2.027   0.833
  257    HA   ARG  45           HA       ARG  45   7.535  -0.080   1.274
  258   1HB   ARG  45          2HB       ARG  45  10.067  -0.384   0.495
  259   2HB   ARG  45          1HB       ARG  45  10.237  -1.035   2.126
  260   1HG   ARG  45          2HG       ARG  45   7.977  -2.306   1.393
  261   2HG   ARG  45          1HG       ARG  45   8.718  -2.112  -0.196
  262   1HD   ARG  45          2HD       ARG  45  10.803  -3.141   0.669
  263   2HD   ARG  45          1HD       ARG  45  10.022  -3.377   2.234
  264    HE   ARG  45           HE       ARG  45   8.373  -4.860   0.986
  265   1HH1  ARG  45           HH1      ARG  45   8.452  -5.359  -1.527
  266   2HH1  ARG  45           HH1      ARG  45   9.881  -6.246  -1.947
  267   1HH2  ARG  45           HH2      ARG  45  11.542  -5.479   0.999
  268   2HH2  ARG  45           HH2      ARG  45  11.630  -6.313  -0.517
  269    H    ARG  46           H        ARG  46   6.311   0.443   3.174
  270    HA   ARG  46           HA       ARG  46   6.760  -1.139   5.447
  271   1HB   ARG  46          2HB       ARG  46   8.585   0.963   5.434
  272   2HB   ARG  46          1HB       ARG  46   7.309   1.524   6.515
  273   1HG   ARG  46          2HG       ARG  46   7.878   0.036   8.117
  274   2HG   ARG  46          1HG       ARG  46   7.972  -1.287   6.955
  275   1HD   ARG  46          2HD       ARG  46  10.220  -0.831   6.428
  276   2HD   ARG  46          1HD       ARG  46  10.131   0.811   7.066
  277    HE   ARG  46           HE       ARG  46   9.914  -0.321   9.359
  278   1HH1  ARG  46           HH2      ARG  46   9.883  -3.138   8.508
  279   2HH1  ARG  46           HH2      ARG  46  11.548  -3.601   8.622
  280   1HH2  ARG  46           HH1      ARG  46  12.724  -0.340   8.700
  281   2HH2  ARG  46           HH1      ARG  46  13.157  -2.017   8.731
  282    H    TYR  47           H        TYR  47   5.078  -0.862   6.999
  283    HA   TYR  47           HA       TYR  47   2.903   0.946   6.080
  284   1HB   TYR  47          2HB       TYR  47   2.013  -0.706   8.222
  285   2HB   TYR  47          1HB       TYR  47   1.553  -0.808   6.525
  286    HD1  TYR  47           HD2      TYR  47   2.674  -2.367   5.007
  287    HD2  TYR  47           HD1      TYR  47   3.741  -2.141   9.160
  288    HE1  TYR  47           HE2      TYR  47   3.897  -4.518   4.807
  289    HE2  TYR  47           HE1      TYR  47   4.965  -4.291   8.962
  290    HH   TYR  47           HH       TYR  47   4.855  -6.333   7.438
  291    H    ASN  48           H        ASN  48   5.395   1.465   7.854
  292    HA   ASN  48           HA       ASN  48   4.458   2.002  10.491
  293   1HB   ASN  48          2HB       ASN  48   6.764   3.008   8.839
  294   2HB   ASN  48          1HB       ASN  48   6.425   3.730  10.413
  295   1HD2  ASN  48           HD2      ASN  48   6.966  -0.304  10.758
  296   2HD2  ASN  48           HD2      ASN  48   5.752   0.315   9.745
  297    H    ILE  49           H        ILE  49   3.630   3.485   7.561
  298    HA   ILE  49           HA       ILE  49   3.229   6.165   8.661
  299    HB   ILE  49           HB       ILE  49   2.147   4.914   6.119
  300   1HG1  ILE  49          2HG1      ILE  49   3.869   6.463   5.092
  301   2HG1  ILE  49          1HG1      ILE  49   4.508   6.704   6.722
  302   1HG2  ILE  49          3HG2      ILE  49   2.022   7.712   7.257
  303   2HG2  ILE  49          2HG2      ILE  49   1.836   7.397   5.533
  304   3HG2  ILE  49          1HG2      ILE  49   0.689   6.710   6.682
  305   1HD1  ILE  49           HD1      ILE  49   4.025   3.918   5.775
  306   2HD1  ILE  49           HD1      ILE  49   5.452   4.773   5.187
  307   3HD1  ILE  49           HD1      ILE  49   5.225   4.521   6.918
  308    H    ARG  50           H        ARG  50   1.054   3.541   7.590
  309    HA   ARG  50           HA       ARG  50  -1.296   4.739   8.421
  310   1HB   ARG  50          2HB       ARG  50  -2.059   2.314   9.002
  311   2HB   ARG  50          1HB       ARG  50  -1.574   2.653   7.340
  312   1HG   ARG  50          2HG       ARG  50   0.579   1.673   7.666
  313   2HG   ARG  50          1HG       ARG  50   0.365   1.617   9.416
  314   1HD   ARG  50          2HD       ARG  50  -1.028  -0.052   7.317
  315   2HD   ARG  50          1HD       ARG  50  -0.046  -0.606   8.673
  316    HE   ARG  50           HE       ARG  50  -2.841   0.362   8.846
  317   1HH1  ARG  50           HH2      ARG  50  -0.663  -1.896   9.933
  318   2HH1  ARG  50           HH2      ARG  50  -1.098  -1.793  11.607
  319   1HH2  ARG  50           HH1      ARG  50  -3.103   1.006  11.190
  320   2HH2  ARG  50           HH1      ARG  50  -2.478  -0.150  12.318
  321    H    SER  51           H        SER  51   1.289   3.593  10.418
  322    HA   SER  51           HA       SER  51  -0.420   3.750  12.836
  323   1HB   SER  51          2HB       SER  51   1.371   1.976  12.617
  324   2HB   SER  51          1HB       SER  51   2.573   3.263  12.648
  325    HG   SER  51           HG       SER  51   0.719   2.513  14.656
  326    H    HIS  52           H        HIS  52   2.109   5.465  11.118
  327    HA   HIS  52           HA       HIS  52   2.545   7.481  13.141
  328   1HB   HIS  52          2HB       HIS  52   4.340   7.640  11.735
  329   2HB   HIS  52          1HB       HIS  52   3.460   6.901  10.402
  330    HD1  HIS  52           HD1      HIS  52   4.702  10.123  11.623
  331    HD2  HIS  52           HD2      HIS  52   1.751   8.869   8.954
  332    HE1  HIS  52           HE1      HIS  52   4.025  12.165  10.289
  333    H    ILE  53           H        ILE  53   0.719   7.544  10.061
  334    HA   ILE  53           HA       ILE  53  -0.372  10.137  10.586
  335    HB   ILE  53           HB       ILE  53  -2.268   9.124   8.980
  336   1HG1  ILE  53          2HG1      ILE  53   0.163   7.434   8.349
  337   2HG1  ILE  53          1HG1      ILE  53  -1.273   6.811   9.169
  338   1HG2  ILE  53          1HG2      ILE  53   0.396  10.315   8.586
  339   2HG2  ILE  53          3HG2      ILE  53  -0.258   9.506   7.162
  340   3HG2  ILE  53          2HG2      ILE  53  -1.167  10.807   7.932
  341   1HD1  ILE  53           HD1      ILE  53  -2.630   7.642   7.214
  342   2HD1  ILE  53           HD1      ILE  53  -1.112   8.011   6.396
  343   3HD1  ILE  53           HD1      ILE  53  -1.506   6.344   6.814
  344    H    GLN  54           H        GLN  54  -1.437   6.867  11.456
  345    HA   GLN  54           HA       GLN  54  -4.048   7.545  12.294
  346   1HB   GLN  54          2HB       GLN  54  -2.272   5.337  12.675
  347   2HB   GLN  54          1HB       GLN  54  -2.902   5.794  14.257
  348   1HG   GLN  54          2HG       GLN  54  -4.586   4.370  13.535
  349   2HG   GLN  54          1HG       GLN  54  -5.201   5.914  12.947
  350   1HE2  GLN  54          2HE2      GLN  54  -3.740   5.029   9.574
  351   2HE2  GLN  54          1HE2      GLN  54  -3.359   6.221  10.719
  352    H    THR  55           H        THR  55  -0.954   8.371  13.665
  353    HA   THR  55           HA       THR  55  -2.170   9.244  16.181
  354    HB   THR  55           HB       THR  55  -0.001   9.644  16.919
  355    HG1  THR  55           HG1      THR  55   1.134  10.986  15.808
  356   1HG2  THR  55          1HG2      THR  55  -0.295   7.317  15.734
  357   2HG2  THR  55          3HG2      THR  55   0.850   7.985  14.571
  358   3HG2  THR  55          2HG2      THR  55   1.304   7.831  16.269
  359    H    HIS  56           H        HIS  56  -0.572  10.896  13.452
  360    HA   HIS  56           HA       HIS  56  -1.879  13.389  14.324
  361   1HB   HIS  56          2HB       HIS  56  -0.159  14.477  13.354
  362   2HB   HIS  56          1HB       HIS  56   0.633  12.920  13.434
  363    HD1  HIS  56           HD1      HIS  56  -1.019  15.289  11.018
  364    HD2  HIS  56           HD2      HIS  56   1.055  11.683  10.919
  365    HE1  HIS  56           HE1      HIS  56  -0.140  15.021   8.653
  366    H    LEU  57           H        LEU  57  -3.303  11.092  13.130
  367    HA   LEU  57           HA       LEU  57  -4.845  12.634  11.174
  368   1HB   LEU  57          2HB       LEU  57  -2.854  10.932  10.226
  369   2HB   LEU  57          1HB       LEU  57  -4.331   9.976  10.090
  370    HG   LEU  57           HG       LEU  57  -4.207  12.835   9.135
  371   1HD1  LEU  57           HD1      LEU  57  -3.117  10.357   7.890
  372   2HD1  LEU  57           HD1      LEU  57  -4.020  11.443   6.839
  373   3HD1  LEU  57           HD1      LEU  57  -2.598  12.031   7.701
  374   1HD2  LEU  57           HD2      LEU  57  -5.999  10.441   8.725
  375   2HD2  LEU  57           HD2      LEU  57  -6.438  12.061   9.264
  376   3HD2  LEU  57           HD2      LEU  57  -5.998  11.782   7.579
  377    H    GLU  58           H        GLU  58  -4.682  10.347  13.695
  378    HA   GLU  58           HA       GLU  58  -6.661   8.473  13.236
  379   1HB   GLU  58          2HB       GLU  58  -7.387   9.060  15.709
  380   2HB   GLU  58          1HB       GLU  58  -5.803   8.356  15.396
  381   1HG   GLU  58          2HG       GLU  58  -4.776  10.186  16.212
  382   2HG   GLU  58          1HG       GLU  58  -5.671  11.229  15.107
  383    H    ASP  59           H        ASP  59  -7.438  11.654  14.704
  384    HA   ASP  59           HA       ASP  59  -9.801  11.862  12.946
  385   1HB   ASP  59          2HB       ASP  59 -10.582  10.551  14.910
  386   2HB   ASP  59          1HB       ASP  59 -10.052  11.859  15.968
  387    H    ARG  60           H        ARG  60  -8.744  13.367  16.020
  388    HA   ARG  60           HA       ARG  60  -9.442  16.002  15.377
  389   1HB   ARG  60          2HB       ARG  60  -8.607  15.192  17.609
  390   2HB   ARG  60          1HB       ARG  60  -6.974  15.193  16.942
  391   1HG   ARG  60          2HG       ARG  60  -7.008  17.556  16.603
  392   2HG   ARG  60          1HG       ARG  60  -8.747  17.641  16.886
  393   1HD   ARG  60          2HD       ARG  60  -8.525  17.364  19.190
  394   2HD   ARG  60          1HD       ARG  60  -6.963  16.557  19.042
  395    HE   ARG  60           HE       ARG  60  -6.911  19.345  18.173
  396   1HH1  ARG  60           HH2      ARG  60  -4.820  17.536  19.625
  397   2HH1  ARG  60           HH2      ARG  60  -4.674  18.396  21.121
  398   1HH2  ARG  60           HH1      ARG  60  -7.534  20.291  20.616
  399   2HH2  ARG  60           HH1      ARG  60  -6.211  19.956  21.683
   
  No H/Q in entry =         399
  Start of MODEL   38
    1   1H    THR  14          3H        THR  14 -12.970   9.547  17.293
    2   2H    THR  14          2H        THR  14 -14.610   9.985  17.348
    3   3H    THR  14          1H        THR  14 -13.993   8.859  18.459
    4    HA   THR  14           HA       THR  14 -14.567   7.227  17.099
    5    HB   THR  14           HB       THR  14 -15.010   9.148  14.821
    6    HG1  THR  14           HG1      THR  14 -16.785   9.897  15.765
    7   1HG2  THR  14          3HG2      THR  14 -16.180   6.540  15.775
    8   2HG2  THR  14          2HG2      THR  14 -17.056   7.572  14.642
    9   3HG2  THR  14          1HG2      THR  14 -15.476   6.921  14.203
   10    H    LEU  15           H        LEU  15 -13.902   6.154  14.924
   11    HA   LEU  15           HA       LEU  15 -11.232   7.152  14.042
   12   1HB   LEU  15          2HB       LEU  15 -10.461   4.745  14.044
   13   2HB   LEU  15          1HB       LEU  15 -10.734   5.421  15.650
   14    HG   LEU  15           HG       LEU  15 -13.116   4.184  14.425
   15   1HD1  LEU  15           HD1      LEU  15 -10.649   2.571  15.118
   16   2HD1  LEU  15           HD1      LEU  15 -12.267   1.873  15.051
   17   3HD1  LEU  15           HD1      LEU  15 -11.544   2.565  13.599
   18   1HD2  LEU  15           HD2      LEU  15 -12.803   5.066  16.806
   19   2HD2  LEU  15           HD2      LEU  15 -13.474   3.440  16.673
   20   3HD2  LEU  15           HD2      LEU  15 -11.775   3.662  17.088
   21    HA   PRO  16           HA       PRO  16 -13.834   6.115  10.426
   22   1HB   PRO  16          2HB       PRO  16 -13.116   8.365   9.018
   23   2HB   PRO  16          1HB       PRO  16 -14.466   8.316  10.166
   24   1HG   PRO  16          2HG       PRO  16 -11.769   9.549  10.491
   25   2HG   PRO  16          1HG       PRO  16 -13.302   9.979  11.270
   26   1HD   PRO  16          2HD       PRO  16 -11.204   8.492  12.453
   27   2HD   PRO  16          1HD       PRO  16 -12.859   8.645  13.081
   28    H    ARG  17           H        ARG  17 -12.942   4.760   8.909
   29    HA   ARG  17           HA       ARG  17 -10.034   4.822   8.467
   30   1HB   ARG  17          2HB       ARG  17 -10.405   2.723   7.235
   31   2HB   ARG  17          1HB       ARG  17 -11.186   2.657   8.815
   32   1HG   ARG  17          2HG       ARG  17 -12.903   3.782   6.713
   33   2HG   ARG  17          1HG       ARG  17 -12.429   2.109   6.412
   34   1HD   ARG  17          2HD       ARG  17 -13.637   1.317   8.173
   35   2HD   ARG  17          1HD       ARG  17 -13.228   2.693   9.198
   36    HE   ARG  17           HE       ARG  17 -14.970   3.716   7.267
   37   1HH1  ARG  17           HH2      ARG  17 -15.427   0.646   8.460
   38   2HH1  ARG  17           HH2      ARG  17 -16.923   0.975   9.268
   39   1HH2  ARG  17           HH1      ARG  17 -16.716   4.407   8.818
   40   2HH2  ARG  17           HH1      ARG  17 -17.653   3.105   9.471
   41    H    GLY  18           H        GLY  18 -11.327   7.108   7.441
   42   1HA   GLY  18          2HA       GLY  18 -11.064   6.620   4.499
   43   2HA   GLY  18          1HA       GLY  18 -12.276   7.723   5.151
   44    H    SER  19           H        SER  19  -9.212   7.637   6.746
   45    HA   SER  19           HA       SER  19  -8.421  10.146   5.347
   46   1HB   SER  19          2HB       SER  19  -7.741   9.757   8.231
   47   2HB   SER  19          1HB       SER  19  -8.023  11.251   7.342
   48    HG   SER  19           HG       SER  19  -9.738  10.610   8.807
   49    H    ILE  20           H        ILE  20  -7.417   7.214   7.008
   50    HA   ILE  20           HA       ILE  20  -4.588   7.682   6.867
   51    HB   ILE  20           HB       ILE  20  -5.807   4.935   6.707
   52   1HG1  ILE  20          2HG1      ILE  20  -7.205   5.950   8.354
   53   2HG1  ILE  20          1HG1      ILE  20  -5.945   5.119   9.265
   54   1HG2  ILE  20          3HG2      ILE  20  -3.288   5.441   6.768
   55   2HG2  ILE  20          2HG2      ILE  20  -3.550   5.966   8.431
   56   3HG2  ILE  20          1HG2      ILE  20  -3.894   4.300   7.967
   57   1HD1  ILE  20           HD1      ILE  20  -4.687   7.423   9.070
   58   2HD1  ILE  20           HD1      ILE  20  -6.306   8.061   8.788
   59   3HD1  ILE  20           HD1      ILE  20  -5.941   7.212  10.290
   60    H    ASP  21           H        ASP  21  -6.559   5.453   4.906
   61    HA   ASP  21           HA       ASP  21  -4.545   5.162   2.871
   62   1HB   ASP  21          2HB       ASP  21  -7.316   4.278   3.310
   63   2HB   ASP  21          1HB       ASP  21  -6.919   4.547   1.612
   64    H    LYS  22           H        LYS  22  -6.591   7.742   3.610
   65    HA   LYS  22           HA       LYS  22  -7.029   8.667   0.872
   66   1HB   LYS  22          2HB       LYS  22  -8.603   9.273   2.667
   67   2HB   LYS  22          1HB       LYS  22  -7.313  10.119   3.522
   68   1HG   LYS  22          2HG       LYS  22  -7.101  11.745   1.771
   69   2HG   LYS  22          1HG       LYS  22  -8.138  10.812   0.693
   70   1HD   LYS  22          2HD       LYS  22  -9.908  11.081   2.614
   71   2HD   LYS  22          1HD       LYS  22  -8.893  12.439   3.102
   72   1HE   LYS  22          2HE       LYS  22 -10.500  12.079   0.598
   73   2HE   LYS  22          1HE       LYS  22 -10.343  13.501   1.630
   74   1HZ   LYS  22          2HZ       LYS  22  -7.857  13.304   0.831
   75   2HZ   LYS  22          1HZ       LYS  22  -8.588  12.544  -0.501
   76   3HZ   LYS  22          3HZ       LYS  22  -9.024  14.130  -0.087
   77    H    TYR  23           H        TYR  23  -4.329   8.543   2.832
   78    HA   TYR  23           HA       TYR  23  -2.969  10.555   1.151
   79   1HB   TYR  23          2HB       TYR  23  -3.131  10.725   4.170
   80   2HB   TYR  23          1HB       TYR  23  -1.907  11.570   3.223
   81    HD1  TYR  23           HD2      TYR  23  -2.869  12.937   1.144
   82    HD2  TYR  23           HD1      TYR  23  -5.128  11.835   4.627
   83    HE1  TYR  23           HE2      TYR  23  -4.492  14.749   0.665
   84    HE2  TYR  23           HE1      TYR  23  -6.751  13.648   4.149
   85    HH   TYR  23           HH       TYR  23  -7.300  15.310   2.797
   86    H    VAL  24           H        VAL  24  -2.437   8.027   0.720
   87    HA   VAL  24           HA       VAL  24   0.083   7.497   2.242
   88    HB   VAL  24           HB       VAL  24  -1.667   5.324   1.080
   89   1HG1  VAL  24          1HG1      VAL  24   0.493   5.359   3.211
   90   2HG1  VAL  24          3HG1      VAL  24  -0.386   3.929   2.669
   91   3HG1  VAL  24          2HG1      VAL  24   0.692   4.775   1.558
   92   1HG2  VAL  24          2HG2      VAL  24  -2.938   6.640   2.782
   93   2HG2  VAL  24          1HG2      VAL  24  -2.596   4.993   3.317
   94   3HG2  VAL  24          3HG2      VAL  24  -1.642   6.340   3.940
   95    H    LYS  25           H        LYS  25   1.590   8.155   0.740
   96    HA   LYS  25           HA       LYS  25   1.209   7.417  -2.103
   97   1HB   LYS  25          2HB       LYS  25   2.139   9.698  -1.107
   98   2HB   LYS  25          1HB       LYS  25   3.663   8.811  -1.103
   99   1HG   LYS  25          2HG       LYS  25   2.734   8.169  -3.576
  100   2HG   LYS  25          1HG       LYS  25   2.053   9.785  -3.390
  101   1HD   LYS  25          2HD       LYS  25   4.621  10.112  -2.435
  102   2HD   LYS  25          1HD       LYS  25   4.850   8.968  -3.758
  103   1HE   LYS  25          2HE       LYS  25   2.996  10.976  -4.613
  104   2HE   LYS  25          1HE       LYS  25   4.411  11.778  -3.934
  105   1HZ   LYS  25          3HZ       LYS  25   4.892   9.506  -5.696
  106   2HZ   LYS  25          2HZ       LYS  25   4.326  10.932  -6.424
  107   3HZ   LYS  25          1HZ       LYS  25   5.766  10.949  -5.523
  108    H    GLU  26           H        GLU  26   1.487   5.092  -1.716
  109    HA   GLU  26           HA       GLU  26   4.050   4.127  -0.688
  110   1HB   GLU  26          2HB       GLU  26   1.941   2.832  -0.416
  111   2HB   GLU  26          1HB       GLU  26   1.863   2.631  -2.166
  112   1HG   GLU  26          2HG       GLU  26   4.435   1.876  -0.898
  113   2HG   GLU  26          1HG       GLU  26   3.060   0.838  -0.520
  114    H    MET  27           H        MET  27   5.817   4.509  -1.966
  115    HA   MET  27           HA       MET  27   5.560   4.529  -4.891
  116   1HB   MET  27          2HB       MET  27   8.151   4.660  -3.347
  117   2HB   MET  27          1HB       MET  27   7.781   5.349  -4.929
  118   1HG   MET  27          2HG       MET  27   5.988   6.737  -3.649
  119   2HG   MET  27          1HG       MET  27   6.907   6.304  -2.209
  120   1HE   MET  27          3HE       MET  27   6.683   7.605  -5.536
  121   2HE   MET  27          2HE       MET  27   6.835   9.260  -4.950
  122   3HE   MET  27          1HE       MET  27   8.128   8.551  -5.914
  123    HA   PRO  28           HA       PRO  28   6.539   0.234  -5.244
  124   1HB   PRO  28          2HB       PRO  28   7.016   0.240  -7.957
  125   2HB   PRO  28          1HB       PRO  28   5.395   0.242  -7.241
  126   1HG   PRO  28          2HG       PRO  28   6.892   2.494  -8.513
  127   2HG   PRO  28          1HG       PRO  28   5.143   2.220  -8.418
  128   1HD   PRO  28          2HD       PRO  28   6.582   4.015  -6.808
  129   2HD   PRO  28          1HD       PRO  28   4.957   3.392  -6.447
  130    H    ASP  29           H        ASP  29   8.665   2.829  -5.740
  131    HA   ASP  29           HA       ASP  29  10.965   1.146  -6.479
  132   1HB   ASP  29          2HB       ASP  29  12.216   3.190  -6.589
  133   2HB   ASP  29          1HB       ASP  29  10.641   3.539  -7.302
  134    H    LYS  30           H        LYS  30   9.305   1.197  -3.812
  135    HA   LYS  30           HA       LYS  30   9.866   0.458  -1.663
  136   1HB   LYS  30          2HB       LYS  30  12.718   1.168  -2.313
  137   2HB   LYS  30          1HB       LYS  30  12.150   0.083  -1.052
  138   1HG   LYS  30          2HG       LYS  30  11.072  -1.231  -3.049
  139   2HG   LYS  30          1HG       LYS  30  12.255  -0.358  -4.023
  140   1HD   LYS  30          2HD       LYS  30  12.865  -2.114  -1.627
  141   2HD   LYS  30          1HD       LYS  30  13.190  -2.509  -3.315
  142   1HE   LYS  30          2HE       LYS  30  14.807  -0.750  -3.509
  143   2HE   LYS  30          1HE       LYS  30  14.334  -0.060  -1.956
  144   1HZ   LYS  30          1HZ       LYS  30  15.057  -2.182  -0.924
  145   2HZ   LYS  30          3HZ       LYS  30  15.677  -2.662  -2.427
  146   3HZ   LYS  30          2HZ       LYS  30  16.321  -1.301  -1.640
  147    H    THR  31           H        THR  31   8.730   2.811  -1.833
  148    HA   THR  31           HA       THR  31  10.161   4.428   0.166
  149    HB   THR  31           HB       THR  31   9.083   5.934  -2.163
  150    HG1  THR  31           HG1      THR  31  11.473   5.724  -2.821
  151   1HG2  THR  31          3HG2      THR  31  10.502   6.493   0.209
  152   2HG2  THR  31          2HG2      THR  31  11.638   6.757  -1.112
  153   3HG2  THR  31          1HG2      THR  31  10.102   7.622  -1.085
  154    H    PHE  32           H        PHE  32   8.647   6.440   0.668
  155    HA   PHE  32           HA       PHE  32   5.790   5.898   0.268
  156   1HB   PHE  32          2HB       PHE  32   7.207   5.093   2.706
  157   2HB   PHE  32          1HB       PHE  32   5.843   6.165   3.025
  158    HD1  PHE  32           HD1      PHE  32   6.849   2.976   1.405
  159    HD2  PHE  32           HD2      PHE  32   3.586   5.443   2.714
  160    HE1  PHE  32           HE1      PHE  32   5.275   1.099   1.021
  161    HE2  PHE  32           HE2      PHE  32   2.013   3.565   2.331
  162    HZ   PHE  32           HZ       PHE  32   2.857   1.393   1.485
  163    H    GLU  33           H        GLU  33   4.491   7.740   0.923
  164    HA   GLU  33           HA       GLU  33   5.927  10.078   2.014
  165   1HB   GLU  33          2HB       GLU  33   6.013   9.849  -0.653
  166   2HB   GLU  33          1HB       GLU  33   4.421  10.595  -0.507
  167   1HG   GLU  33          2HG       GLU  33   5.272  12.545   0.446
  168   2HG   GLU  33          1HG       GLU  33   6.731  11.743   1.030
  169    H    CYS  34           H        CYS  34   4.525  10.471   3.675
  170    HA   CYS  34           HA       CYS  34   1.728   9.977   3.696
  171   1HB   CYS  34          2HB       CYS  34   3.286  10.557   5.659
  172   2HB   CYS  34          1HB       CYS  34   3.077  12.240   5.185
  173    H    LEU  35           H        LEU  35   0.372  10.840   2.168
  174    HA   LEU  35           HA       LEU  35   0.949  13.401   0.900
  175   1HB   LEU  35          2HB       LEU  35  -1.511  11.637   0.737
  176   2HB   LEU  35          1HB       LEU  35  -1.161  13.005  -0.319
  177    HG   LEU  35           HG       LEU  35   1.126  11.260  -0.236
  178   1HD1  LEU  35           HD1      LEU  35  -1.568   9.986  -0.669
  179   2HD1  LEU  35           HD1      LEU  35  -0.151   9.386  -1.530
  180   3HD1  LEU  35           HD1      LEU  35  -0.185   9.368   0.233
  181   1HD2  LEU  35           HD2      LEU  35  -0.848  12.221  -2.310
  182   2HD2  LEU  35           HD2      LEU  35   0.828  12.718  -2.082
  183   3HD2  LEU  35           HD2      LEU  35   0.464  11.120  -2.733
  184    H    PHE  36           H        PHE  36  -0.053  12.904   3.929
  185    HA   PHE  36           HA       PHE  36  -2.454  14.514   4.055
  186   1HB   PHE  36          2HB       PHE  36  -1.856  12.928   5.826
  187   2HB   PHE  36          1HB       PHE  36  -0.402  13.857   6.186
  188    HD1  PHE  36           HD2      PHE  36  -0.585  16.162   7.113
  189    HD2  PHE  36           HD1      PHE  36  -4.018  13.641   6.591
  190    HE1  PHE  36           HE2      PHE  36  -1.877  17.608   8.654
  191    HE2  PHE  36           HE1      PHE  36  -5.313  15.083   8.133
  192    HZ   PHE  36           HZ       PHE  36  -4.245  17.072   9.163
  193    HA   PRO  37           HA       PRO  37  -0.542  18.455   3.640
  194   1HB   PRO  37          2HB       PRO  37  -2.630  19.965   4.618
  195   2HB   PRO  37          1HB       PRO  37  -2.600  19.262   2.991
  196   1HG   PRO  37          2HG       PRO  37  -4.128  18.369   5.397
  197   2HG   PRO  37          1HG       PRO  37  -4.526  18.181   3.680
  198   1HD   PRO  37          2HD       PRO  37  -3.472  16.162   5.332
  199   2HD   PRO  37          1HD       PRO  37  -3.484  16.136   3.556
  200    H    GLY  38           H        GLY  38   1.040  19.082   5.015
  201   1HA   GLY  38          2HA       GLY  38   1.543  20.453   7.035
  202   2HA   GLY  38          1HA       GLY  38   0.334  19.489   7.891
  203    H    CYS  39           H        CYS  39   1.368  17.079   6.298
  204    HA   CYS  39           HA       CYS  39   3.182  16.113   8.324
  205   1HB   CYS  39          2HB       CYS  39   1.610  14.783   6.732
  206   2HB   CYS  39          1HB       CYS  39   2.939  14.899   5.579
  207    H    THR  40           H        THR  40   5.388  15.192   7.688
  208    HA   THR  40           HA       THR  40   6.799  16.470   5.485
  209    HB   THR  40           HB       THR  40   7.911  17.201   8.166
  210    HG1  THR  40           HG1      THR  40   6.664  19.228   7.800
  211   1HG2  THR  40          3HG2      THR  40   7.920  18.372   5.379
  212   2HG2  THR  40          2HG2      THR  40   8.573  19.227   6.776
  213   3HG2  THR  40          1HG2      THR  40   9.283  17.695   6.270
  214    H    LYS  41           H        LYS  41   6.285  13.791   6.839
  215    HA   LYS  41           HA       LYS  41   9.163  12.997   7.056
  216   1HB   LYS  41          2HB       LYS  41   6.954  12.596   8.944
  217   2HB   LYS  41          1HB       LYS  41   7.783  11.097   8.523
  218   1HG   LYS  41          2HG       LYS  41   9.803  11.800   9.416
  219   2HG   LYS  41          1HG       LYS  41   9.442  13.507   9.158
  220   1HD   LYS  41          2HD       LYS  41   9.384  12.749  11.583
  221   2HD   LYS  41          1HD       LYS  41   7.921  13.554  11.014
  222   1HE   LYS  41          2HE       LYS  41   6.677  11.714  11.388
  223   2HE   LYS  41          1HE       LYS  41   7.804  10.701  10.486
  224   1HZ   LYS  41          3HZ       LYS  41   8.316  11.611  13.259
  225   2HZ   LYS  41          2HZ       LYS  41   7.541  10.143  12.897
  226   3HZ   LYS  41          1HZ       LYS  41   9.141  10.410  12.391
  227    H    THR  42           H        THR  42   9.718  11.422   5.622
  228    HA   THR  42           HA       THR  42   7.504   9.960   4.248
  229    HB   THR  42           HB       THR  42   8.868   9.810   2.341
  230    HG1  THR  42           HG1      THR  42  11.187  10.663   2.783
  231   1HG2  THR  42          3HG2      THR  42   9.436  12.430   3.742
  232   2HG2  THR  42          2HG2      THR  42   9.825  12.133   2.048
  233   3HG2  THR  42          1HG2      THR  42   8.147  12.089   2.587
  234    H    PHE  43           H        PHE  43   8.232   7.671   3.516
  235    HA   PHE  43           HA       PHE  43  10.122   6.420   5.432
  236   1HB   PHE  43          2HB       PHE  43   7.408   5.177   5.042
  237   2HB   PHE  43          1HB       PHE  43   8.576   4.900   6.333
  238    HD1  PHE  43           HD1      PHE  43   6.497   7.651   4.850
  239    HD2  PHE  43           HD2      PHE  43   8.274   5.975   8.382
  240    HE1  PHE  43           HE1      PHE  43   5.384   9.381   6.231
  241    HE2  PHE  43           HE2      PHE  43   7.157   7.705   9.764
  242    HZ   PHE  43           HZ       PHE  43   5.709   9.406   8.686
  243    H    LYS  44           H        LYS  44   9.303   3.743   4.760
  244    HA   LYS  44           HA       LYS  44   9.791   3.656   1.818
  245   1HB   LYS  44          2HB       LYS  44  11.125   1.655   3.609
  246   2HB   LYS  44          1HB       LYS  44  11.619   2.233   2.016
  247   1HG   LYS  44          2HG       LYS  44  12.111   4.469   3.045
  248   2HG   LYS  44          1HG       LYS  44  11.774   3.766   4.627
  249   1HD   LYS  44          2HD       LYS  44  13.571   2.131   4.317
  250   2HD   LYS  44          1HD       LYS  44  13.882   2.752   2.696
  251   1HE   LYS  44          2HE       LYS  44  14.816   4.733   3.484
  252   2HE   LYS  44          1HE       LYS  44  13.948   4.652   5.016
  253   1HZ   LYS  44          3HZ       LYS  44  15.334   2.751   5.634
  254   2HZ   LYS  44          2HZ       LYS  44  16.197   2.902   4.178
  255   3HZ   LYS  44          1HZ       LYS  44  16.266   4.137   5.343
  256    H    ARG  45           H        ARG  45   9.601   1.129   1.186
  257    HA   ARG  45           HA       ARG  45   6.955   0.351   1.347
  258   1HB   ARG  45          2HB       ARG  45   7.798  -2.025   1.035
  259   2HB   ARG  45          1HB       ARG  45   8.441  -0.850  -0.112
  260   1HG   ARG  45          2HG       ARG  45  10.328  -0.595   1.748
  261   2HG   ARG  45          1HG       ARG  45   9.814  -2.232   2.155
  262   1HD   ARG  45          2HD       ARG  45   9.993  -2.135  -0.668
  263   2HD   ARG  45          1HD       ARG  45  11.450  -1.355  -0.051
  264    HE   ARG  45           HE       ARG  45  12.122  -3.437   0.892
  265   1HH1  ARG  45           HH1      ARG  45  10.677  -5.039   2.282
  266   2HH1  ARG  45           HH1      ARG  45   9.732  -6.074   1.265
  267   1HH2  ARG  45           HH2      ARG  45  10.132  -4.102  -1.560
  268   2HH2  ARG  45           HH2      ARG  45   9.424  -5.543  -0.911
  269    H    ARG  46           H        ARG  46   5.945   0.560   3.353
  270    HA   ARG  46           HA       ARG  46   6.116  -1.620   5.184
  271   1HB   ARG  46          2HB       ARG  46   8.118   0.371   5.574
  272   2HB   ARG  46          1HB       ARG  46   6.956   0.521   6.894
  273   1HG   ARG  46          2HG       ARG  46   7.191  -2.177   6.784
  274   2HG   ARG  46          1HG       ARG  46   8.804  -1.707   6.246
  275   1HD   ARG  46          2HD       ARG  46   8.975  -0.211   8.251
  276   2HD   ARG  46          1HD       ARG  46   7.431  -0.856   8.811
  277    HE   ARG  46           HE       ARG  46   8.666  -3.145   8.700
  278   1HH1  ARG  46           HH2      ARG  46  11.168  -1.372   7.959
  279   2HH1  ARG  46           HH2      ARG  46  12.026  -1.462   9.461
  280   1HH2  ARG  46           HH1      ARG  46   9.324  -2.719  11.234
  281   2HH2  ARG  46           HH1      ARG  46  10.983  -2.224  11.316
  282    H    TYR  47           H        TYR  47   5.359  -0.174   7.558
  283    HA   TYR  47           HA       TYR  47   2.855   1.161   6.631
  284   1HB   TYR  47          2HB       TYR  47   2.430   0.050   9.215
  285   2HB   TYR  47          1HB       TYR  47   1.653  -0.419   7.705
  286    HD1  TYR  47           HD1      TYR  47   4.695  -0.987   9.793
  287    HD2  TYR  47           HD2      TYR  47   2.137  -2.487   6.688
  288    HE1  TYR  47           HE1      TYR  47   5.904  -3.155   9.844
  289    HE2  TYR  47           HE2      TYR  47   3.342  -4.656   6.736
  290    HH   TYR  47           HH       TYR  47   6.314  -5.067   8.271
  291    H    ASN  48           H        ASN  48   5.479   2.281   7.484
  292    HA   ASN  48           HA       ASN  48   5.398   3.186  10.153
  293   1HB   ASN  48          2HB       ASN  48   6.467   4.706   7.757
  294   2HB   ASN  48          1HB       ASN  48   6.933   4.952   9.440
  295   1HD2  ASN  48           HD2      ASN  48   8.258   1.358   9.259
  296   2HD2  ASN  48           HD2      ASN  48   6.852   1.977   9.980
  297    H    ILE  49           H        ILE  49   4.335   4.960   7.250
  298    HA   ILE  49           HA       ILE  49   3.013   7.013   8.805
  299    HB   ILE  49           HB       ILE  49   1.665   7.014   6.371
  300   1HG1  ILE  49          2HG1      ILE  49   3.470   6.828   4.696
  301   2HG1  ILE  49          1HG1      ILE  49   4.557   6.229   5.949
  302   1HG2  ILE  49          1HG2      ILE  49   3.892   8.495   7.649
  303   2HG2  ILE  49          3HG2      ILE  49   3.689   8.736   5.914
  304   3HG2  ILE  49          2HG2      ILE  49   2.357   9.087   7.014
  305   1HD1  ILE  49           HD1      ILE  49   2.460   4.556   6.320
  306   2HD1  ILE  49           HD1      ILE  49   2.303   4.856   4.589
  307   3HD1  ILE  49           HD1      ILE  49   3.801   4.187   5.235
  308    H    ARG  50           H        ARG  50   2.210   3.799   8.355
  309    HA   ARG  50           HA       ARG  50  -0.688   4.296   8.323
  310   1HB   ARG  50          2HB       ARG  50   1.013   1.795   8.449
  311   2HB   ARG  50          1HB       ARG  50  -0.726   1.733   8.743
  312   1HG   ARG  50          2HG       ARG  50  -0.664   3.217   6.460
  313   2HG   ARG  50          1HG       ARG  50   0.744   2.182   6.213
  314   1HD   ARG  50          2HD       ARG  50  -1.905   1.039   7.100
  315   2HD   ARG  50          1HD       ARG  50  -1.539   1.291   5.393
  316    HE   ARG  50           HE       ARG  50   0.563  -0.166   5.940
  317   1HH1  ARG  50           HH2      ARG  50  -0.099  -0.839   8.716
  318   2HH1  ARG  50           HH2      ARG  50  -1.004  -2.308   8.565
  319   1HH2  ARG  50           HH1      ARG  50  -1.654  -1.873   5.187
  320   2HH2  ARG  50           HH1      ARG  50  -1.884  -2.894   6.567
  321    H    SER  51           H        SER  51   1.915   3.743  10.508
  322    HA   SER  51           HA       SER  51   0.019   3.563  12.801
  323   1HB   SER  51          2HB       SER  51   1.956   1.881  12.483
  324   2HB   SER  51          1HB       SER  51   3.024   3.217  12.902
  325    HG   SER  51           HG       SER  51   2.578   2.614  14.874
  326    H    HIS  52           H        HIS  52   1.881   5.716  11.024
  327    HA   HIS  52           HA       HIS  52   2.308   7.537  13.320
  328   1HB   HIS  52          2HB       HIS  52   4.274   7.912  12.212
  329   2HB   HIS  52          1HB       HIS  52   3.705   7.040  10.792
  330    HD1  HIS  52           HD1      HIS  52   4.262  10.442  12.115
  331    HD2  HIS  52           HD2      HIS  52   2.196   8.734   8.924
  332    HE1  HIS  52           HE1      HIS  52   3.518  12.357  10.636
  333    H    ILE  53           H        ILE  53   0.582   7.146  10.279
  334    HA   ILE  53           HA       ILE  53  -0.561   9.830  10.368
  335    HB   ILE  53           HB       ILE  53  -1.285   7.330   8.796
  336   1HG1  ILE  53          2HG1      ILE  53   0.141   9.921   8.140
  337   2HG1  ILE  53          1HG1      ILE  53   0.766   8.281   8.000
  338   1HG2  ILE  53          2HG2      ILE  53  -3.238   8.884   9.297
  339   2HG2  ILE  53          1HG2      ILE  53  -2.385  10.104   8.352
  340   3HG2  ILE  53          3HG2      ILE  53  -2.898   8.601   7.590
  341   1HD1  ILE  53           HD1      ILE  53  -1.389   8.051   6.403
  342   2HD1  ILE  53           HD1      ILE  53  -1.048   9.766   6.179
  343   3HD1  ILE  53           HD1      ILE  53   0.188   8.566   5.805
  344    H    GLN  54           H        GLN  54  -1.349   6.663  11.663
  345    HA   GLN  54           HA       GLN  54  -4.112   7.275  12.193
  346   1HB   GLN  54          2HB       GLN  54  -2.423   5.038  12.522
  347   2HB   GLN  54          1HB       GLN  54  -2.981   5.448  14.144
  348   1HG   GLN  54          2HG       GLN  54  -4.861   4.309  13.606
  349   2HG   GLN  54          1HG       GLN  54  -5.278   5.718  12.629
  350   1HE2  GLN  54          2HE2      GLN  54  -3.494   3.851   9.787
  351   2HE2  GLN  54          1HE2      GLN  54  -2.969   5.155  10.739
  352    H    THR  55           H        THR  55  -1.221   8.429  13.608
  353    HA   THR  55           HA       THR  55  -2.724   9.113  16.076
  354    HB   THR  55           HB       THR  55  -0.040  10.076  16.204
  355    HG1  THR  55           HG1      THR  55  -0.173   7.332  15.545
  356   1HG2  THR  55          3HG2      THR  55  -1.473   7.736  17.487
  357   2HG2  THR  55          2HG2      THR  55   0.109   8.323  17.999
  358   3HG2  THR  55          1HG2      THR  55  -1.307   9.365  18.141
  359    H    HIS  56           H        HIS  56  -1.007  10.542  13.352
  360    HA   HIS  56           HA       HIS  56  -1.930  13.193  14.276
  361   1HB   HIS  56          2HB       HIS  56  -0.012  14.015  13.467
  362   2HB   HIS  56          1HB       HIS  56   0.522  12.355  13.353
  363    HD1  HIS  56           HD1      HIS  56  -1.010  15.093  11.192
  364    HD2  HIS  56           HD2      HIS  56   1.019  11.491  10.776
  365    HE1  HIS  56           HE1      HIS  56  -0.114  15.037   8.816
  366    H    LEU  57           H        LEU  57  -3.339  10.859  12.754
  367    HA   LEU  57           HA       LEU  57  -4.747  12.704  10.930
  368   1HB   LEU  57          2HB       LEU  57  -2.923  10.693  10.047
  369   2HB   LEU  57          1HB       LEU  57  -4.550  10.239   9.539
  370    HG   LEU  57           HG       LEU  57  -4.378  12.989   9.057
  371   1HD1  LEU  57           HD1      LEU  57  -1.756  11.862   9.171
  372   2HD1  LEU  57           HD1      LEU  57  -2.122  12.198   7.481
  373   3HD1  LEU  57           HD1      LEU  57  -2.214  13.491   8.675
  374   1HD2  LEU  57           HD2      LEU  57  -4.642  10.472   7.599
  375   2HD2  LEU  57           HD2      LEU  57  -5.411  12.027   7.285
  376   3HD2  LEU  57           HD2      LEU  57  -3.803  11.693   6.644
  377    H    GLU  58           H        GLU  58  -4.908  10.347  13.336
  378    HA   GLU  58           HA       GLU  58  -7.414   9.143  12.353
  379   1HB   GLU  58          2HB       GLU  58  -5.855   7.744  13.632
  380   2HB   GLU  58          1HB       GLU  58  -5.973   8.848  15.002
  381   1HG   GLU  58          2HG       GLU  58  -8.478   8.412  14.991
  382   2HG   GLU  58          1HG       GLU  58  -8.164   7.115  13.838
  383    H    ASP  59           H        ASP  59  -6.371  11.335  14.965
  384    HA   ASP  59           HA       ASP  59  -8.953  11.745  16.102
  385   1HB   ASP  59          2HB       ASP  59  -6.370  13.256  16.095
  386   2HB   ASP  59          1HB       ASP  59  -7.818  14.083  16.669
  387    H    ARG  60           H        ARG  60  -7.176  13.749  13.723
  388    HA   ARG  60           HA       ARG  60  -9.821  14.889  12.912
  389   1HB   ARG  60          2HB       ARG  60  -8.527  16.845  12.097
  390   2HB   ARG  60          1HB       ARG  60  -8.292  16.581  13.825
  391   1HG   ARG  60          2HG       ARG  60  -6.344  15.009  12.490
  392   2HG   ARG  60          1HG       ARG  60  -6.317  16.603  11.735
  393   1HD   ARG  60          2HD       ARG  60  -6.215  16.136  14.728
  394   2HD   ARG  60          1HD       ARG  60  -4.798  16.430  13.721
  395    HE   ARG  60           HE       ARG  60  -6.926  18.421  14.317
  396   1HH1  ARG  60           HH2      ARG  60  -4.303  17.566  12.299
  397   2HH1  ARG  60           HH2      ARG  60  -3.619  19.156  12.267
  398   1HH2  ARG  60           HH1      ARG  60  -5.889  20.469  14.536
  399   2HH2  ARG  60           HH1      ARG  60  -4.516  20.799  13.533
   
  No H/Q in entry =         399
  Start of MODEL   39
    1   1H    THR  14          2H        THR  14 -13.898   8.627  14.469
    2   2H    THR  14          1H        THR  14 -13.868   7.435  15.678
    3   3H    THR  14          3H        THR  14 -12.635   8.596  15.605
    4    HA   THR  14           HA       THR  14 -11.488   7.493  14.061
    5    HB   THR  14           HB       THR  14 -13.483   5.324  14.784
    6    HG1  THR  14           HG1      THR  14 -11.158   6.346  15.999
    7   1HG2  THR  14          3HG2      THR  14 -10.659   5.207  13.691
    8   2HG2  THR  14          2HG2      THR  14 -11.579   3.810  14.252
    9   3HG2  THR  14          1HG2      THR  14 -12.128   4.721  12.845
   10    H    LEU  15           H        LEU  15 -11.840   8.410  12.041
   11    HA   LEU  15           HA       LEU  15 -14.283   7.949  10.534
   12   1HB   LEU  15          2HB       LEU  15 -11.606   8.949   9.517
   13   2HB   LEU  15          1HB       LEU  15 -13.181   9.170   8.751
   14    HG   LEU  15           HG       LEU  15 -13.611  10.159  11.292
   15   1HD1  LEU  15           HD1      LEU  15 -10.808  10.047  10.954
   16   2HD1  LEU  15           HD1      LEU  15 -11.257  11.736  10.721
   17   3HD1  LEU  15           HD1      LEU  15 -11.696  10.905  12.214
   18   1HD2  LEU  15           HD2      LEU  15 -13.245  11.185   8.568
   19   2HD2  LEU  15           HD2      LEU  15 -14.459  11.615   9.772
   20   3HD2  LEU  15           HD2      LEU  15 -12.872  12.383   9.808
   21    HA   PRO  16           HA       PRO  16 -13.143   4.151   8.645
   22   1HB   PRO  16          2HB       PRO  16 -14.779   4.302   6.441
   23   2HB   PRO  16          1HB       PRO  16 -15.367   3.935   8.071
   24   1HG   PRO  16          2HG       PRO  16 -15.627   6.461   6.509
   25   2HG   PRO  16          1HG       PRO  16 -16.665   5.826   7.795
   26   1HD   PRO  16          2HD       PRO  16 -14.726   7.871   8.084
   27   2HD   PRO  16          1HD       PRO  16 -15.537   7.004   9.407
   28    H    ARG  17           H        ARG  17 -10.958   4.653   8.038
   29    HA   ARG  17           HA       ARG  17  -9.217   5.425   6.620
   30   1HB   ARG  17          2HB       ARG  17  -9.025   3.978   4.776
   31   2HB   ARG  17          1HB       ARG  17 -10.057   3.085   5.889
   32   1HG   ARG  17          2HG       ARG  17 -11.619   2.956   4.276
   33   2HG   ARG  17          1HG       ARG  17 -11.777   4.709   4.321
   34   1HD   ARG  17          2HD       ARG  17  -9.522   4.538   2.869
   35   2HD   ARG  17          1HD       ARG  17 -10.255   2.997   2.423
   36    HE   ARG  17           HE       ARG  17 -11.780   5.553   2.143
   37   1HH1  ARG  17           HH2      ARG  17  -9.883   3.277   0.517
   38   2HH1  ARG  17           HH2      ARG  17 -10.986   3.052  -0.799
   39   1HH2  ARG  17           HH1      ARG  17 -13.495   4.973   0.629
   40   2HH2  ARG  17           HH1      ARG  17 -13.031   4.012  -0.736
   41    H    GLY  18           H        GLY  18 -11.386   7.362   6.753
   42   1HA   GLY  18          2HA       GLY  18 -11.732   8.302   3.978
   43   2HA   GLY  18          1HA       GLY  18 -12.424   9.051   5.418
   44    H    SER  19           H        SER  19  -9.089   8.254   5.625
   45    HA   SER  19           HA       SER  19  -8.057  10.737   4.530
   46   1HB   SER  19          2HB       SER  19  -8.702  10.523   7.439
   47   2HB   SER  19          1HB       SER  19  -7.210  11.341   6.984
   48    HG   SER  19           HG       SER  19  -9.882  11.969   6.335
   49    H    ILE  20           H        ILE  20  -7.584   7.982   6.698
   50    HA   ILE  20           HA       ILE  20  -4.723   8.055   6.750
   51    HB   ILE  20           HB       ILE  20  -6.401   5.539   6.830
   52   1HG1  ILE  20          2HG1      ILE  20  -7.530   6.981   8.352
   53   2HG1  ILE  20          1HG1      ILE  20  -6.433   6.036   9.357
   54   1HG2  ILE  20          2HG2      ILE  20  -3.783   5.640   6.866
   55   2HG2  ILE  20          1HG2      ILE  20  -4.006   6.193   8.526
   56   3HG2  ILE  20          3HG2      ILE  20  -4.620   4.615   8.033
   57   1HD1  ILE  20           HD1      ILE  20  -4.752   7.931   9.080
   58   2HD1  ILE  20           HD1      ILE  20  -6.071   8.876   8.391
   59   3HD1  ILE  20           HD1      ILE  20  -6.173   8.307  10.056
   60    H    ASP  21           H        ASP  21  -6.773   5.782   4.950
   61    HA   ASP  21           HA       ASP  21  -4.688   5.018   3.127
   62   1HB   ASP  21          2HB       ASP  21  -7.679   4.706   3.173
   63   2HB   ASP  21          1HB       ASP  21  -6.779   4.278   1.717
   64    H    LYS  22           H        LYS  22  -6.675   7.795   3.323
   65    HA   LYS  22           HA       LYS  22  -6.318   8.445   0.448
   66   1HB   LYS  22          2HB       LYS  22  -8.528   8.835   1.585
   67   2HB   LYS  22          1HB       LYS  22  -7.736  10.036   2.606
   68   1HG   LYS  22          2HG       LYS  22  -7.047  10.559  -0.130
   69   2HG   LYS  22          1HG       LYS  22  -8.800  10.406  -0.005
   70   1HD   LYS  22          2HD       LYS  22  -7.886  11.904   2.251
   71   2HD   LYS  22          1HD       LYS  22  -7.162  12.604   0.804
   72   1HE   LYS  22          2HE       LYS  22  -9.199  13.210  -0.093
   73   2HE   LYS  22          1HE       LYS  22 -10.055  11.877   0.682
   74   1HZ   LYS  22          1HZ       LYS  22  -9.013  13.533   2.680
   75   2HZ   LYS  22          3HZ       LYS  22  -9.812  14.523   1.559
   76   3HZ   LYS  22          2HZ       LYS  22 -10.644  13.241   2.300
   77    H    TYR  23           H        TYR  23  -4.164   8.419   2.651
   78    HA   TYR  23           HA       TYR  23  -2.963  10.988   1.842
   79   1HB   TYR  23          2HB       TYR  23  -3.755  10.304   4.656
   80   2HB   TYR  23          1HB       TYR  23  -2.319  11.286   4.371
   81    HD1  TYR  23           HD2      TYR  23  -3.068  12.844   1.993
   82    HD2  TYR  23           HD1      TYR  23  -5.398  11.794   5.448
   83    HE1  TYR  23           HE2      TYR  23  -4.499  14.837   1.634
   84    HE2  TYR  23           HE1      TYR  23  -6.828  13.788   5.088
   85    HH   TYR  23           HH       TYR  23  -6.060  16.175   2.601
   86    H    VAL  24           H        VAL  24  -2.407   8.136   1.363
   87    HA   VAL  24           HA       VAL  24   0.326   8.041   2.576
   88    HB   VAL  24           HB       VAL  24  -1.452   5.665   1.939
   89   1HG1  VAL  24          3HG1      VAL  24   1.326   5.847   2.111
   90   2HG1  VAL  24          2HG1      VAL  24   0.839   5.274   3.706
   91   3HG1  VAL  24          1HG1      VAL  24   0.372   4.371   2.266
   92   1HG2  VAL  24          3HG2      VAL  24  -1.335   7.407   4.233
   93   2HG2  VAL  24          2HG2      VAL  24  -2.357   5.993   3.977
   94   3HG2  VAL  24          1HG2      VAL  24  -0.754   5.805   4.688
   95    H    LYS  25           H        LYS  25   1.990   7.398   1.148
   96    HA   LYS  25           HA       LYS  25   1.151   6.895  -1.676
   97   1HB   LYS  25          2HB       LYS  25   2.034   9.308  -1.019
   98   2HB   LYS  25          1HB       LYS  25   3.607   8.515  -1.117
   99   1HG   LYS  25          2HG       LYS  25   3.463   8.203  -3.383
  100   2HG   LYS  25          1HG       LYS  25   1.714   7.976  -3.346
  101   1HD   LYS  25          2HD       LYS  25   1.621  10.499  -2.728
  102   2HD   LYS  25          1HD       LYS  25   3.276  10.553  -3.335
  103   1HE   LYS  25          2HE       LYS  25   1.100   9.281  -4.978
  104   2HE   LYS  25          1HE       LYS  25   1.322  11.031  -4.997
  105   1HZ   LYS  25          2HZ       LYS  25   3.822  10.261  -5.325
  106   2HZ   LYS  25          1HZ       LYS  25   3.048   8.925  -6.036
  107   3HZ   LYS  25          3HZ       LYS  25   2.761  10.487  -6.632
  108    H    GLU  26           H        GLU  26   1.645   4.640  -1.238
  109    HA   GLU  26           HA       GLU  26   4.353   3.905  -0.406
  110   1HB   GLU  26          2HB       GLU  26   3.572   1.582  -0.926
  111   2HB   GLU  26          1HB       GLU  26   2.499   2.435   0.185
  112   1HG   GLU  26          2HG       GLU  26   1.745   2.964  -2.563
  113   2HG   GLU  26          1HG       GLU  26   1.782   1.228  -2.251
  114    H    MET  27           H        MET  27   5.926   4.439  -1.890
  115    HA   MET  27           HA       MET  27   5.410   4.262  -4.761
  116   1HB   MET  27          2HB       MET  27   8.114   4.602  -3.460
  117   2HB   MET  27          1HB       MET  27   7.589   5.167  -5.045
  118   1HG   MET  27          2HG       MET  27   5.793   6.495  -3.632
  119   2HG   MET  27          1HG       MET  27   6.969   6.290  -2.335
  120   1HE   MET  27          2HE       MET  27   5.542   8.062  -4.711
  121   2HE   MET  27          1HE       MET  27   6.443   9.571  -4.587
  122   3HE   MET  27          3HE       MET  27   6.650   8.526  -6.000
  123    HA   PRO  28           HA       PRO  28   6.615   0.048  -5.169
  124   1HB   PRO  28          2HB       PRO  28   7.085   0.085  -7.885
  125   2HB   PRO  28          1HB       PRO  28   5.468   0.016  -7.164
  126   1HG   PRO  28          2HG       PRO  28   6.872   2.338  -8.421
  127   2HG   PRO  28          1HG       PRO  28   5.136   1.987  -8.337
  128   1HD   PRO  28          2HD       PRO  28   6.476   3.838  -6.714
  129   2HD   PRO  28          1HD       PRO  28   4.891   3.121  -6.349
  130    H    ASP  29           H        ASP  29   8.624   2.716  -5.568
  131    HA   ASP  29           HA       ASP  29  11.000   1.118  -6.296
  132   1HB   ASP  29          2HB       ASP  29  12.113   3.465  -5.957
  133   2HB   ASP  29          1HB       ASP  29  11.110   3.199  -7.383
  134    H    LYS  30           H        LYS  30   9.356   1.019  -3.709
  135    HA   LYS  30           HA       LYS  30   9.888   0.502  -1.492
  136   1HB   LYS  30          2HB       LYS  30  12.506   0.511  -2.808
  137   2HB   LYS  30          1HB       LYS  30  12.590   1.017  -1.122
  138   1HG   LYS  30          2HG       LYS  30  11.829  -1.021  -0.331
  139   2HG   LYS  30          1HG       LYS  30  10.928  -1.374  -1.807
  140   1HD   LYS  30          2HD       LYS  30  13.230  -1.519  -2.962
  141   2HD   LYS  30          1HD       LYS  30  13.900  -1.600  -1.332
  142   1HE   LYS  30          2HE       LYS  30  11.646  -3.402  -1.598
  143   2HE   LYS  30          1HE       LYS  30  12.863  -3.741  -2.828
  144   1HZ   LYS  30          3HZ       LYS  30  14.320  -3.304  -0.575
  145   2HZ   LYS  30          2HZ       LYS  30  12.968  -4.154   0.005
  146   3HZ   LYS  30          1HZ       LYS  30  13.933  -4.822  -1.225
  147    H    THR  31           H        THR  31   8.727   2.816  -1.776
  148    HA   THR  31           HA       THR  31  10.184   4.577   0.091
  149    HB   THR  31           HB       THR  31   8.879   5.827  -2.287
  150    HG1  THR  31           HG1      THR  31  11.489   4.754  -2.105
  151   1HG2  THR  31          3HG2      THR  31  10.661   6.602  -0.066
  152   2HG2  THR  31          2HG2      THR  31  11.072   7.298  -1.632
  153   3HG2  THR  31          1HG2      THR  31   9.472   7.564  -0.942
  154    H    PHE  32           H        PHE  32   8.567   6.566   0.527
  155    HA   PHE  32           HA       PHE  32   5.739   5.782   0.426
  156   1HB   PHE  32          2HB       PHE  32   7.398   5.343   2.800
  157   2HB   PHE  32          1HB       PHE  32   5.989   6.352   3.127
  158    HD1  PHE  32           HD1      PHE  32   7.094   3.080   1.757
  159    HD2  PHE  32           HD2      PHE  32   3.776   5.454   3.098
  160    HE1  PHE  32           HE1      PHE  32   5.641   1.072   1.720
  161    HE2  PHE  32           HE2      PHE  32   2.324   3.445   3.063
  162    HZ   PHE  32           HZ       PHE  32   3.257   1.255   2.377
  163    H    GLU  33           H        GLU  33   4.365   7.580   0.828
  164    HA   GLU  33           HA       GLU  33   5.628  10.117   1.674
  165   1HB   GLU  33          2HB       GLU  33   5.457   9.547  -1.022
  166   2HB   GLU  33          1HB       GLU  33   3.981  10.469  -0.733
  167   1HG   GLU  33          2HG       GLU  33   6.299  11.619   0.630
  168   2HG   GLU  33          1HG       GLU  33   6.512  11.547  -1.120
  169    H    CYS  34           H        CYS  34   4.272  10.731   3.263
  170    HA   CYS  34           HA       CYS  34   1.463   9.976   3.337
  171   1HB   CYS  34          2HB       CYS  34   2.988  10.383   5.337
  172   2HB   CYS  34          1HB       CYS  34   2.860  12.102   4.981
  173    H    LEU  35           H        LEU  35   0.087  10.933   1.888
  174    HA   LEU  35           HA       LEU  35   0.627  13.540   0.739
  175   1HB   LEU  35          2HB       LEU  35  -1.770  11.700   0.615
  176   2HB   LEU  35          1HB       LEU  35  -1.691  13.234  -0.249
  177    HG   LEU  35           HG       LEU  35   0.739  11.734  -0.680
  178   1HD1  LEU  35           HD1      LEU  35  -1.152   9.925  -0.217
  179   2HD1  LEU  35           HD1      LEU  35  -1.621  10.328  -1.869
  180   3HD1  LEU  35           HD1      LEU  35  -0.002   9.712  -1.537
  181   1HD2  LEU  35           HD2      LEU  35  -1.530  12.603  -2.500
  182   2HD2  LEU  35           HD2      LEU  35  -0.090  13.545  -2.119
  183   3HD2  LEU  35           HD2      LEU  35   0.054  12.054  -3.048
  184    H    PHE  36           H        PHE  36  -0.382  12.839   3.789
  185    HA   PHE  36           HA       PHE  36  -2.677  14.471   4.182
  186   1HB   PHE  36          2HB       PHE  36  -1.795  12.980   5.932
  187   2HB   PHE  36          1HB       PHE  36  -0.353  13.986   6.069
  188    HD1  PHE  36           HD2      PHE  36  -0.692  16.484   6.657
  189    HD2  PHE  36           HD1      PHE  36  -3.724  13.488   7.184
  190    HE1  PHE  36           HE2      PHE  36  -1.869  17.957   8.269
  191    HE2  PHE  36           HE1      PHE  36  -4.902  14.966   8.790
  192    HZ   PHE  36           HZ       PHE  36  -3.975  17.200   9.331
  193    HA   PRO  37           HA       PRO  37  -0.898  18.444   3.429
  194   1HB   PRO  37          2HB       PRO  37  -3.015  19.932   4.371
  195   2HB   PRO  37          1HB       PRO  37  -3.009  19.132   2.789
  196   1HG   PRO  37          2HG       PRO  37  -4.444  18.348   5.285
  197   2HG   PRO  37          1HG       PRO  37  -4.865  18.014   3.597
  198   1HD   PRO  37          2HD       PRO  37  -3.671  16.185   5.393
  199   2HD   PRO  37          1HD       PRO  37  -3.776  15.995   3.629
  200    H    GLY  38           H        GLY  38   0.774  18.758   4.844
  201   1HA   GLY  38          2HA       GLY  38   1.296  20.380   6.741
  202   2HA   GLY  38          1HA       GLY  38   0.094  19.472   7.666
  203    H    CYS  39           H        CYS  39   1.049  17.002   6.130
  204    HA   CYS  39           HA       CYS  39   2.841  16.001   8.138
  205   1HB   CYS  39          2HB       CYS  39   1.313  14.687   6.525
  206   2HB   CYS  39          1HB       CYS  39   2.610  14.878   5.345
  207    H    THR  40           H        THR  40   5.082  15.130   7.560
  208    HA   THR  40           HA       THR  40   6.532  16.406   5.391
  209    HB   THR  40           HB       THR  40   7.650  17.232   8.015
  210    HG1  THR  40           HG1      THR  40   6.223  19.133   7.837
  211   1HG2  THR  40          1HG2      THR  40   7.277  18.604   5.338
  212   2HG2  THR  40          3HG2      THR  40   8.205  19.244   6.694
  213   3HG2  THR  40          2HG2      THR  40   8.738  17.775   5.876
  214    H    LYS  41           H        LYS  41   6.057  13.740   6.706
  215    HA   LYS  41           HA       LYS  41   8.940  13.020   7.007
  216   1HB   LYS  41          2HB       LYS  41   6.706  12.573   8.903
  217   2HB   LYS  41          1HB       LYS  41   7.755  11.183   8.621
  218   1HG   LYS  41          2HG       LYS  41   9.483  13.394   8.875
  219   2HG   LYS  41          1HG       LYS  41   8.288  13.575  10.159
  220   1HD   LYS  41          2HD       LYS  41   9.890  11.061   9.601
  221   2HD   LYS  41          1HD       LYS  41  10.210  12.204  10.906
  222   1HE   LYS  41          2HE       LYS  41   7.420  11.367  10.873
  223   2HE   LYS  41          1HE       LYS  41   8.510   9.989  11.033
  224   1HZ   LYS  41          1HZ       LYS  41   9.663  11.577  12.743
  225   2HZ   LYS  41          3HZ       LYS  41   8.119  12.272  12.827
  226   3HZ   LYS  41          2HZ       LYS  41   8.329  10.627  13.196
  227    H    THR  42           H        THR  42   9.331  11.785   5.228
  228    HA   THR  42           HA       THR  42   7.194  10.056   4.131
  229    HB   THR  42           HB       THR  42   8.438   9.982   2.177
  230    HG1  THR  42           HG1      THR  42  10.713  10.150   2.194
  231   1HG2  THR  42          3HG2      THR  42   8.011  12.389   2.991
  232   2HG2  THR  42          2HG2      THR  42   9.733  12.432   3.367
  233   3HG2  THR  42          1HG2      THR  42   9.200  12.173   1.707
  234    H    PHE  43           H        PHE  43   8.348   7.824   3.262
  235    HA   PHE  43           HA       PHE  43  10.160   6.681   5.270
  236   1HB   PHE  43          2HB       PHE  43   7.395   5.486   4.966
  237   2HB   PHE  43          1HB       PHE  43   8.652   5.003   6.106
  238    HD1  PHE  43           HD2      PHE  43   9.218   6.418   8.040
  239    HD2  PHE  43           HD1      PHE  43   6.062   7.484   5.328
  240    HE1  PHE  43           HE2      PHE  43   8.365   8.068   9.682
  241    HE2  PHE  43           HE1      PHE  43   5.208   9.133   6.970
  242    HZ   PHE  43           HZ       PHE  43   6.358   9.426   9.148
  243    H    LYS  44           H        LYS  44  10.071   4.077   4.768
  244    HA   LYS  44           HA       LYS  44  10.313   3.886   1.794
  245   1HB   LYS  44          2HB       LYS  44  11.969   2.839   4.045
  246   2HB   LYS  44          1HB       LYS  44  11.818   1.826   2.608
  247   1HG   LYS  44          2HG       LYS  44  12.306   4.180   1.404
  248   2HG   LYS  44          1HG       LYS  44  13.142   4.475   2.928
  249   1HD   LYS  44          2HD       LYS  44  13.856   1.858   2.205
  250   2HD   LYS  44          1HD       LYS  44  13.939   2.787   0.708
  251   1HE   LYS  44          2HE       LYS  44  15.204   3.712   3.298
  252   2HE   LYS  44          1HE       LYS  44  16.074   2.782   2.078
  253   1HZ   LYS  44          2HZ       LYS  44  14.693   4.936   0.872
  254   2HZ   LYS  44          1HZ       LYS  44  15.679   5.515   2.128
  255   3HZ   LYS  44          3HZ       LYS  44  16.359   4.599   0.873
  256    H    ARG  45           H        ARG  45  10.234   1.336   1.222
  257    HA   ARG  45           HA       ARG  45   7.619   0.455   1.369
  258   1HB   ARG  45          2HB       ARG  45  10.060  -0.658   0.529
  259   2HB   ARG  45          1HB       ARG  45   9.385  -1.830   1.661
  260   1HG   ARG  45          2HG       ARG  45   7.442  -0.670  -0.244
  261   2HG   ARG  45          1HG       ARG  45   8.682  -1.691  -0.971
  262   1HD   ARG  45          2HD       ARG  45   8.009  -3.197   1.195
  263   2HD   ARG  45          1HD       ARG  45   6.463  -2.423   0.849
  264    HE   ARG  45           HE       ARG  45   7.562  -3.420  -1.593
  265   1HH1  ARG  45           HH2      ARG  45   5.041  -3.885   0.458
  266   2HH1  ARG  45           HH2      ARG  45   4.908  -5.599   0.247
  267   1HH2  ARG  45           HH1      ARG  45   7.909  -5.888  -1.468
  268   2HH2  ARG  45           HH1      ARG  45   6.532  -6.733  -0.844
  269    H    ARG  46           H        ARG  46   6.571   0.672   3.347
  270    HA   ARG  46           HA       ARG  46   6.871  -1.435   5.274
  271   1HB   ARG  46          2HB       ARG  46   8.831   0.336   5.674
  272   2HB   ARG  46          1HB       ARG  46   7.549   1.196   6.525
  273   1HG   ARG  46          2HG       ARG  46   8.486  -0.156   8.206
  274   2HG   ARG  46          1HG       ARG  46   7.088  -1.091   7.676
  275   1HD   ARG  46          2HD       ARG  46   8.523  -2.427   6.193
  276   2HD   ARG  46          1HD       ARG  46   9.927  -1.480   6.686
  277    HE   ARG  46           HE       ARG  46   8.583  -2.657   8.968
  278   1HH1  ARG  46           HH2      ARG  46   9.499  -4.456   6.418
  279   2HH1  ARG  46           HH2      ARG  46  10.871  -5.215   7.156
  280   1HH2  ARG  46           HH1      ARG  46  10.893  -3.100   9.904
  281   2HH2  ARG  46           HH1      ARG  46  11.660  -4.447   9.130
  282    H    TYR  47           H        TYR  47   5.316  -1.116   7.106
  283    HA   TYR  47           HA       TYR  47   3.024   0.545   6.207
  284   1HB   TYR  47          2HB       TYR  47   2.332  -0.952   8.526
  285   2HB   TYR  47          1HB       TYR  47   1.785  -1.220   6.874
  286    HD1  TYR  47           HD1      TYR  47   4.436  -2.060   9.340
  287    HD2  TYR  47           HD2      TYR  47   2.622  -3.035   5.572
  288    HE1  TYR  47           HE1      TYR  47   5.739  -4.169   9.259
  289    HE2  TYR  47           HE2      TYR  47   3.926  -5.146   5.490
  290    HH   TYR  47           HH       TYR  47   5.179  -6.578   6.746
  291    H    ASN  48           H        ASN  48   5.625   1.176   7.905
  292    HA   ASN  48           HA       ASN  48   4.778   1.944  10.493
  293   1HB   ASN  48          2HB       ASN  48   6.974   2.868   8.658
  294   2HB   ASN  48          1HB       ASN  48   6.681   3.723  10.173
  295   1HD2  ASN  48           HD2      ASN  48   7.349  -0.243  10.868
  296   2HD2  ASN  48           HD2      ASN  48   6.068   0.251   9.868
  297    H    ILE  49           H        ILE  49   3.863   3.240   7.464
  298    HA   ILE  49           HA       ILE  49   3.388   5.954   8.422
  299    HB   ILE  49           HB       ILE  49   2.346   4.484   5.986
  300   1HG1  ILE  49          2HG1      ILE  49   3.899   6.091   4.840
  301   2HG1  ILE  49          1HG1      ILE  49   4.480   6.578   6.437
  302   1HG2  ILE  49          2HG2      ILE  49   1.359   6.851   7.245
  303   2HG2  ILE  49          1HG2      ILE  49   2.179   7.330   5.759
  304   3HG2  ILE  49          3HG2      ILE  49   0.867   6.154   5.701
  305   1HD1  ILE  49           HD1      ILE  49   4.365   3.678   5.708
  306   2HD1  ILE  49           HD1      ILE  49   5.724   4.666   5.174
  307   3HD1  ILE  49           HD1      ILE  49   5.387   4.488   6.895
  308    H    ARG  50           H        ARG  50   1.216   3.292   7.474
  309    HA   ARG  50           HA       ARG  50  -1.126   4.443   8.325
  310   1HB   ARG  50          2HB       ARG  50  -1.124   2.235   7.276
  311   2HB   ARG  50          1HB       ARG  50  -0.310   1.541   8.679
  312   1HG   ARG  50          2HG       ARG  50  -2.273   2.233  10.084
  313   2HG   ARG  50          1HG       ARG  50  -3.095   2.734   8.605
  314   1HD   ARG  50          2HD       ARG  50  -3.023   0.478   7.728
  315   2HD   ARG  50          1HD       ARG  50  -2.017  -0.060   9.072
  316    HE   ARG  50           HE       ARG  50  -4.131   0.705  10.474
  317   1HH1  ARG  50           HH2      ARG  50  -3.702  -1.859   8.471
  318   2HH1  ARG  50           HH2      ARG  50  -5.376  -2.152   8.137
  319   1HH2  ARG  50           HH1      ARG  50  -6.455   0.815   9.573
  320   2HH2  ARG  50           HH1      ARG  50  -6.935  -0.638   8.761
  321    H    SER  51           H        SER  51   1.477   3.295  10.346
  322    HA   SER  51           HA       SER  51  -0.176   3.523  12.783
  323   1HB   SER  51          2HB       SER  51   1.744   1.870  12.566
  324   2HB   SER  51          1HB       SER  51   2.841   3.247  12.568
  325    HG   SER  51           HG       SER  51   1.881   2.012  14.644
  326    H    HIS  52           H        HIS  52   2.292   5.279  11.011
  327    HA   HIS  52           HA       HIS  52   2.636   7.405  12.899
  328   1HB   HIS  52          2HB       HIS  52   4.379   7.555  11.431
  329   2HB   HIS  52          1HB       HIS  52   3.467   6.779  10.141
  330    HD1  HIS  52           HD1      HIS  52   4.590  10.069  11.361
  331    HD2  HIS  52           HD2      HIS  52   1.743   8.650   8.665
  332    HE1  HIS  52           HE1      HIS  52   3.810  12.070  10.021
  333    H    ILE  53           H        ILE  53   0.749   7.388   9.823
  334    HA   ILE  53           HA       ILE  53  -0.428   9.927  10.389
  335    HB   ILE  53           HB       ILE  53  -2.236   9.179   8.767
  336   1HG1  ILE  53          2HG1      ILE  53  -0.456   6.729   8.649
  337   2HG1  ILE  53          1HG1      ILE  53  -2.143   6.770   9.161
  338   1HG2  ILE  53          1HG2      ILE  53   0.276  10.104   8.339
  339   2HG2  ILE  53          3HG2      ILE  53   0.334   8.597   7.424
  340   3HG2  ILE  53          2HG2      ILE  53  -0.888   9.811   7.046
  341   1HD1  ILE  53           HD1      ILE  53  -1.164   7.622   6.427
  342   2HD1  ILE  53           HD1      ILE  53  -1.847   6.037   6.787
  343   3HD1  ILE  53           HD1      ILE  53  -2.842   7.483   6.950
  344    H    GLN  54           H        GLN  54  -1.160   6.708  11.552
  345    HA   GLN  54           HA       GLN  54  -3.860   7.209  12.320
  346   1HB   GLN  54          2HB       GLN  54  -2.012   5.103  12.652
  347   2HB   GLN  54          1HB       GLN  54  -2.502   5.569  14.280
  348   1HG   GLN  54          2HG       GLN  54  -4.196   4.077  13.748
  349   2HG   GLN  54          1HG       GLN  54  -4.919   5.589  13.199
  350   1HE2  GLN  54          2HE2      GLN  54  -3.725   4.663   9.715
  351   2HE2  GLN  54          1HE2      GLN  54  -3.239   5.872  10.801
  352    H    THR  55           H        THR  55  -0.825   8.257  13.742
  353    HA   THR  55           HA       THR  55  -2.280   9.127  16.153
  354    HB   THR  55           HB       THR  55  -0.096   8.364  16.684
  355    HG1  THR  55           HG1      THR  55  -0.294  10.206  17.787
  356   1HG2  THR  55          2HG2      THR  55   0.776  10.000  14.295
  357   2HG2  THR  55          1HG2      THR  55   1.913   9.324  15.462
  358   3HG2  THR  55          3HG2      THR  55   0.891   8.252  14.506
  359    H    HIS  56           H        HIS  56  -0.745  10.555  13.299
  360    HA   HIS  56           HA       HIS  56  -1.772  13.172  14.201
  361   1HB   HIS  56          2HB       HIS  56   0.001  14.108  13.199
  362   2HB   HIS  56          1HB       HIS  56   0.663  12.490  13.179
  363    HD1  HIS  56           HD1      HIS  56  -1.179  14.937  10.925
  364    HD2  HIS  56           HD2      HIS  56   1.094  11.460  10.628
  365    HE1  HIS  56           HE1      HIS  56  -0.432  14.762   8.504
  366    H    LEU  57           H        LEU  57  -3.257  10.807  12.923
  367    HA   LEU  57           HA       LEU  57  -4.801  12.524  11.086
  368   1HB   LEU  57          2HB       LEU  57  -3.112  11.006   9.812
  369   2HB   LEU  57          1HB       LEU  57  -4.206   9.693  10.249
  370    HG   LEU  57           HG       LEU  57  -6.037  10.709   9.081
  371   1HD1  LEU  57           HD1      LEU  57  -4.243  13.110   9.126
  372   2HD1  LEU  57           HD1      LEU  57  -5.400  12.941   7.805
  373   3HD1  LEU  57           HD1      LEU  57  -5.969  12.998   9.472
  374   1HD2  LEU  57           HD2      LEU  57  -3.568  10.057   7.809
  375   2HD2  LEU  57           HD2      LEU  57  -5.194   9.934   7.142
  376   3HD2  LEU  57           HD2      LEU  57  -4.269  11.419   6.938
  377    H    GLU  58           H        GLU  58  -4.737  10.285  13.641
  378    HA   GLU  58           HA       GLU  58  -7.484   9.332  13.059
  379   1HB   GLU  58          2HB       GLU  58  -5.715   7.739  13.899
  380   2HB   GLU  58          1HB       GLU  58  -5.717   8.637  15.417
  381   1HG   GLU  58          2HG       GLU  58  -7.225   6.840  15.781
  382   2HG   GLU  58          1HG       GLU  58  -8.258   8.234  15.456
  383    H    ASP  59           H        ASP  59  -5.736  10.792  15.826
  384    HA   ASP  59           HA       ASP  59  -6.459  12.426  17.353
  385   1HB   ASP  59          2HB       ASP  59  -7.663  13.156  14.989
  386   2HB   ASP  59          1HB       ASP  59  -9.052  12.948  16.058
  387    H    ARG  60           H        ARG  60  -6.926   9.819  18.035
  388    HA   ARG  60           HA       ARG  60  -9.527   8.931  18.515
  389   1HB   ARG  60          2HB       ARG  60  -7.282   7.811  19.132
  390   2HB   ARG  60          1HB       ARG  60  -7.383   8.734  20.632
  391   1HG   ARG  60          2HG       ARG  60  -9.678   7.761  20.991
  392   2HG   ARG  60          1HG       ARG  60  -9.393   6.718  19.598
  393   1HD   ARG  60          2HD       ARG  60  -7.816   6.787  22.183
  394   2HD   ARG  60          1HD       ARG  60  -8.807   5.461  21.572
  395    HE   ARG  60           HE       ARG  60  -6.823   6.019  19.620
  396   1HH1  ARG  60           HH2      ARG  60  -6.782   5.356  22.980
  397   2HH1  ARG  60           HH2      ARG  60  -5.534   4.159  22.874
  398   1HH2  ARG  60           HH1      ARG  60  -5.356   4.267  19.414
  399   2HH2  ARG  60           HH1      ARG  60  -4.726   3.543  20.855
   
  No H/Q in entry =         399
  Start of MODEL   40
    1   1H    THR  14          2H        THR  14  -7.522  -4.794   5.779
    2   2H    THR  14          1H        THR  14  -5.935  -4.999   5.208
    3   3H    THR  14          3H        THR  14  -6.203  -4.556   6.823
    4    HA   THR  14           HA       THR  14  -5.583  -2.568   5.827
    5    HB   THR  14           HB       THR  14  -7.255  -2.135   3.650
    6    HG1  THR  14           HG1      THR  14  -7.722  -4.432   3.820
    7   1HG2  THR  14          2HG2      THR  14  -4.478  -2.383   4.241
    8   2HG2  THR  14          1HG2      THR  14  -4.789  -3.272   2.750
    9   3HG2  THR  14          3HG2      THR  14  -5.227  -1.568   2.868
   10    H    LEU  15           H        LEU  15  -6.536  -1.185   7.245
   11    HA   LEU  15           HA       LEU  15  -9.502  -0.852   7.068
   12   1HB   LEU  15          2HB       LEU  15  -8.318  -2.041   9.190
   13   2HB   LEU  15          1HB       LEU  15  -8.193  -0.354   9.690
   14    HG   LEU  15           HG       LEU  15 -10.813  -1.174   8.565
   15   1HD1  LEU  15           HD1      LEU  15  -9.644  -2.897  10.397
   16   2HD1  LEU  15           HD1      LEU  15 -10.610  -1.827  11.413
   17   3HD1  LEU  15           HD1      LEU  15 -11.376  -2.731  10.107
   18   1HD2  LEU  15           HD2      LEU  15  -9.833   0.473  10.913
   19   2HD2  LEU  15           HD2      LEU  15 -10.537   1.066   9.409
   20   3HD2  LEU  15           HD2      LEU  15 -11.542   0.200  10.571
   21    HA   PRO  16           HA       PRO  16  -7.581   3.233   6.445
   22   1HB   PRO  16          2HB       PRO  16  -9.429   4.019   4.568
   23   2HB   PRO  16          1HB       PRO  16  -7.969   3.096   4.175
   24   1HG   PRO  16          2HG       PRO  16 -10.799   2.163   4.309
   25   2HG   PRO  16          1HG       PRO  16  -9.448   1.520   3.358
   26   1HD   PRO  16          2HD       PRO  16 -10.456   0.415   5.761
   27   2HD   PRO  16          1HD       PRO  16  -8.917  -0.009   4.981
   28    H    ARG  17           H        ARG  17  -8.291   5.199   7.382
   29    HA   ARG  17           HA       ARG  17 -10.949   5.066   8.699
   30   1HB   ARG  17          2HB       ARG  17  -8.485   5.615   9.783
   31   2HB   ARG  17          1HB       ARG  17  -9.133   7.232   9.506
   32   1HG   ARG  17          2HG       ARG  17 -10.583   5.007  10.971
   33   2HG   ARG  17          1HG       ARG  17  -9.756   6.359  11.746
   34   1HD   ARG  17          2HD       ARG  17 -11.771   7.401  11.622
   35   2HD   ARG  17          1HD       ARG  17 -11.354   7.655   9.927
   36    HE   ARG  17           HE       ARG  17 -12.524   5.221   9.787
   37   1HH1  ARG  17           HH2      ARG  17 -13.547   6.562  12.537
   38   2HH1  ARG  17           HH2      ARG  17 -15.166   6.926  12.040
   39   1HH2  ARG  17           HH1      ARG  17 -14.545   6.347   8.678
   40   2HH2  ARG  17           HH1      ARG  17 -15.731   6.805   9.854
   41    H    GLY  18           H        GLY  18 -11.327   5.695   6.145
   42   1HA   GLY  18          2HA       GLY  18 -11.928   7.389   4.608
   43   2HA   GLY  18          1HA       GLY  18 -12.707   8.079   6.033
   44    H    SER  19           H        SER  19  -9.226   7.664   5.755
   45    HA   SER  19           HA       SER  19  -8.607  10.293   4.804
   46   1HB   SER  19          2HB       SER  19  -9.709  10.732   7.105
   47   2HB   SER  19          1HB       SER  19  -8.240  10.042   7.790
   48    HG   SER  19           HG       SER  19  -7.252  11.647   6.156
   49    H    ILE  20           H        ILE  20  -7.690   7.545   6.810
   50    HA   ILE  20           HA       ILE  20  -4.868   7.968   6.802
   51    HB   ILE  20           HB       ILE  20  -6.296   5.294   6.751
   52   1HG1  ILE  20          2HG1      ILE  20  -7.368   6.421   8.512
   53   2HG1  ILE  20          1HG1      ILE  20  -6.033   5.606   9.325
   54   1HG2  ILE  20          3HG2      ILE  20  -3.728   5.510   6.523
   55   2HG2  ILE  20          2HG2      ILE  20  -3.758   6.036   8.206
   56   3HG2  ILE  20          1HG2      ILE  20  -4.346   4.431   7.774
   57   1HD1  ILE  20           HD1      ILE  20  -4.688   7.711   9.086
   58   2HD1  ILE  20           HD1      ILE  20  -6.127   8.502   8.442
   59   3HD1  ILE  20           HD1      ILE  20  -6.118   7.903  10.101
   60    H    ASP  21           H        ASP  21  -6.750   5.720   4.792
   61    HA   ASP  21           HA       ASP  21  -4.607   5.262   2.928
   62   1HB   ASP  21          2HB       ASP  21  -7.469   4.566   3.138
   63   2HB   ASP  21          1HB       ASP  21  -6.863   4.693   1.486
   64    H    LYS  22           H        LYS  22  -6.599   7.952   3.415
   65    HA   LYS  22           HA       LYS  22  -6.503   8.813   0.582
   66   1HB   LYS  22          2HB       LYS  22  -8.358   9.220   2.574
   67   2HB   LYS  22          1HB       LYS  22  -7.461  10.738   2.593
   68   1HG   LYS  22          2HG       LYS  22  -7.731  10.495  -0.054
   69   2HG   LYS  22          1HG       LYS  22  -9.144   9.556   0.430
   70   1HD   LYS  22          2HD       LYS  22 -10.276  11.430   0.947
   71   2HD   LYS  22          1HD       LYS  22  -8.977  11.964   2.015
   72   1HE   LYS  22          2HE       LYS  22  -7.792  12.991   0.185
   73   2HE   LYS  22          1HE       LYS  22  -8.888  12.276  -0.997
   74   1HZ   LYS  22          3HZ       LYS  22 -10.333  13.737   0.954
   75   2HZ   LYS  22          2HZ       LYS  22  -9.147  14.724   0.245
   76   3HZ   LYS  22          1HZ       LYS  22 -10.300  13.943  -0.729
   77    H    TYR  23           H        TYR  23  -4.231   8.660   2.814
   78    HA   TYR  23           HA       TYR  23  -2.894  11.102   1.837
   79   1HB   TYR  23          2HB       TYR  23  -3.619  10.603   4.720
   80   2HB   TYR  23          1HB       TYR  23  -2.203  11.568   4.300
   81    HD1  TYR  23           HD2      TYR  23  -2.820  13.202   2.122
   82    HD2  TYR  23           HD1      TYR  23  -5.486  11.896   5.226
   83    HE1  TYR  23           HE2      TYR  23  -4.275  15.164   1.697
   84    HE2  TYR  23           HE1      TYR  23  -6.943  13.858   4.798
   85    HH   TYR  23           HH       TYR  23  -7.033  15.890   3.773
   86    H    VAL  24           H        VAL  24  -2.572   8.135   1.627
   87    HA   VAL  24           HA       VAL  24   0.179   7.953   2.791
   88    HB   VAL  24           HB       VAL  24  -1.598   6.368   3.738
   89   1HG1  VAL  24          2HG1      VAL  24  -2.423   6.005   1.247
   90   2HG1  VAL  24          1HG1      VAL  24  -1.185   4.748   1.252
   91   3HG1  VAL  24          3HG1      VAL  24  -2.506   4.689   2.418
   92   1HG2  VAL  24          2HG2      VAL  24   1.007   5.524   2.491
   93   2HG2  VAL  24          1HG2      VAL  24   0.609   5.729   4.197
   94   3HG2  VAL  24          3HG2      VAL  24   0.004   4.328   3.312
   95    H    LYS  25           H        LYS  25   1.807   7.472   1.341
   96    HA   LYS  25           HA       LYS  25   0.949   6.795  -1.446
   97   1HB   LYS  25          2HB       LYS  25   1.760   9.098  -1.355
   98   2HB   LYS  25          1HB       LYS  25   3.238   8.571  -0.548
   99   1HG   LYS  25          2HG       LYS  25   4.155   8.323  -2.591
  100   2HG   LYS  25          1HG       LYS  25   3.062   6.961  -2.835
  101   1HD   LYS  25          2HD       LYS  25   1.686   8.143  -4.210
  102   2HD   LYS  25          1HD       LYS  25   1.839   9.617  -3.251
  103   1HE   LYS  25          2HE       LYS  25   3.229  10.413  -4.833
  104   2HE   LYS  25          1HE       LYS  25   4.392   9.179  -4.346
  105   1HZ   LYS  25          1HZ       LYS  25   2.215   8.386  -6.131
  106   2HZ   LYS  25          3HZ       LYS  25   3.473   9.315  -6.789
  107   3HZ   LYS  25          2HZ       LYS  25   3.815   7.822  -6.054
  108    H    GLU  26           H        GLU  26   1.549   4.712  -1.809
  109    HA   GLU  26           HA       GLU  26   4.024   3.688  -0.512
  110   1HB   GLU  26          2HB       GLU  26   2.158   1.999  -2.159
  111   2HB   GLU  26          1HB       GLU  26   3.153   1.533  -0.779
  112   1HG   GLU  26          2HG       GLU  26   1.551   3.399   0.382
  113   2HG   GLU  26          1HG       GLU  26   0.452   2.746  -0.834
  114    H    MET  27           H        MET  27   5.569   4.686  -1.908
  115    HA   MET  27           HA       MET  27   5.437   4.624  -4.756
  116   1HB   MET  27          2HB       MET  27   7.173   5.667  -2.853
  117   2HB   MET  27          1HB       MET  27   8.155   4.472  -3.700
  118   1HG   MET  27          2HG       MET  27   7.700   5.490  -5.833
  119   2HG   MET  27          1HG       MET  27   6.478   6.549  -5.128
  120   1HE   MET  27          3HE       MET  27   6.743   8.124  -3.487
  121   2HE   MET  27          2HE       MET  27   7.997   7.678  -2.332
  122   3HE   MET  27          1HE       MET  27   8.140   9.181  -3.240
  123    HA   PRO  28           HA       PRO  28   6.253   0.317  -5.382
  124   1HB   PRO  28          2HB       PRO  28   6.626   0.474  -8.107
  125   2HB   PRO  28          1HB       PRO  28   5.034   0.472  -7.328
  126   1HG   PRO  28          2HG       PRO  28   6.541   2.761  -8.522
  127   2HG   PRO  28          1HG       PRO  28   4.791   2.523  -8.376
  128   1HD   PRO  28          2HD       PRO  28   6.332   4.185  -6.719
  129   2HD   PRO  28          1HD       PRO  28   4.708   3.577  -6.334
  130    H    ASP  29           H        ASP  29   8.411   2.902  -5.866
  131    HA   ASP  29           HA       ASP  29  10.648   1.188  -6.729
  132   1HB   ASP  29          2HB       ASP  29  11.927   3.211  -6.884
  133   2HB   ASP  29          1HB       ASP  29  10.329   3.594  -7.523
  134    H    LYS  30           H        LYS  30   9.114   1.183  -4.017
  135    HA   LYS  30           HA       LYS  30   9.736   0.456  -1.887
  136   1HB   LYS  30          2HB       LYS  30  12.574   1.068  -2.713
  137   2HB   LYS  30          1HB       LYS  30  12.065   0.082  -1.350
  138   1HG   LYS  30          2HG       LYS  30  11.499  -1.710  -2.679
  139   2HG   LYS  30          1HG       LYS  30  11.051  -0.689  -4.046
  140   1HD   LYS  30          2HD       LYS  30  13.179  -0.636  -4.877
  141   2HD   LYS  30          1HD       LYS  30  13.913  -0.609  -3.272
  142   1HE   LYS  30          2HE       LYS  30  13.477  -2.997  -2.992
  143   2HE   LYS  30          1HE       LYS  30  12.639  -3.050  -4.544
  144   1HZ   LYS  30          3HZ       LYS  30  14.880  -2.049  -5.386
  145   2HZ   LYS  30          2HZ       LYS  30  15.503  -2.776  -3.982
  146   3HZ   LYS  30          1HZ       LYS  30  14.717  -3.721  -5.155
  147    H    THR  31           H        THR  31   8.667   2.851  -2.046
  148    HA   THR  31           HA       THR  31  10.236   4.441  -0.113
  149    HB   THR  31           HB       THR  31   8.949   5.928  -2.352
  150    HG1  THR  31           HG1      THR  31  11.241   5.800  -3.223
  151   1HG2  THR  31          3HG2      THR  31  10.996   6.356  -0.247
  152   2HG2  THR  31          2HG2      THR  31  11.262   7.187  -1.780
  153   3HG2  THR  31          1HG2      THR  31   9.777   7.466  -0.872
  154    H    PHE  32           H        PHE  32   8.725   6.442   0.517
  155    HA   PHE  32           HA       PHE  32   5.857   5.761   0.408
  156   1HB   PHE  32          2HB       PHE  32   7.561   5.208   2.729
  157   2HB   PHE  32          1HB       PHE  32   6.185   6.238   3.120
  158    HD1  PHE  32           HD1      PHE  32   7.192   2.974   1.666
  159    HD2  PHE  32           HD2      PHE  32   3.942   5.398   3.080
  160    HE1  PHE  32           HE1      PHE  32   5.693   1.000   1.602
  161    HE2  PHE  32           HE2      PHE  32   2.442   3.424   3.016
  162    HZ   PHE  32           HZ       PHE  32   3.317   1.225   2.277
  163    H    GLU  33           H        GLU  33   4.530   7.573   0.992
  164    HA   GLU  33           HA       GLU  33   5.863  10.048   1.874
  165   1HB   GLU  33          2HB       GLU  33   5.990   9.784  -0.726
  166   2HB   GLU  33          1HB       GLU  33   4.272  10.182  -0.679
  167   1HG   GLU  33          2HG       GLU  33   5.278  12.098   0.980
  168   2HG   GLU  33          1HG       GLU  33   6.620  11.903  -0.149
  169    H    CYS  34           H        CYS  34   4.513  10.774   3.419
  170    HA   CYS  34           HA       CYS  34   1.693  10.022   3.494
  171   1HB   CYS  34          2HB       CYS  34   3.175  10.373   5.521
  172   2HB   CYS  34          1HB       CYS  34   3.134  12.098   5.169
  173    H    LEU  35           H        LEU  35   0.336  11.009   2.056
  174    HA   LEU  35           HA       LEU  35   0.917  13.603   0.906
  175   1HB   LEU  35          2HB       LEU  35  -1.729  12.147   0.809
  176   2HB   LEU  35          1HB       LEU  35  -1.086  13.302  -0.358
  177    HG   LEU  35           HG       LEU  35   0.677  10.997   0.136
  178   1HD1  LEU  35           HD1      LEU  35  -2.122  10.659  -0.947
  179   2HD1  LEU  35           HD1      LEU  35  -0.811   9.581  -1.430
  180   3HD1  LEU  35           HD1      LEU  35  -1.290   9.683   0.264
  181   1HD2  LEU  35           HD2      LEU  35   0.890  12.795  -1.649
  182   2HD2  LEU  35           HD2      LEU  35   0.960  11.139  -2.251
  183   3HD2  LEU  35           HD2      LEU  35  -0.521  12.081  -2.430
  184    H    PHE  36           H        PHE  36  -0.179  12.923   3.959
  185    HA   PHE  36           HA       PHE  36  -2.438  14.610   4.276
  186   1HB   PHE  36          2HB       PHE  36  -1.559  13.116   6.064
  187   2HB   PHE  36          1HB       PHE  36  -0.182  14.201   6.261
  188    HD1  PHE  36           HD2      PHE  36  -0.654  16.664   6.837
  189    HD2  PHE  36           HD1      PHE  36  -3.607  13.561   7.148
  190    HE1  PHE  36           HE2      PHE  36  -2.005  18.098   8.346
  191    HE2  PHE  36           HE1      PHE  36  -4.958  15.000   8.652
  192    HZ   PHE  36           HZ       PHE  36  -4.156  17.267   9.250
  193    HA   PRO  37           HA       PRO  37  -0.626  18.553   3.504
  194   1HB   PRO  37          2HB       PRO  37  -2.692  20.079   4.495
  195   2HB   PRO  37          1HB       PRO  37  -2.738  19.276   2.916
  196   1HG   PRO  37          2HG       PRO  37  -4.123  18.518   5.448
  197   2HG   PRO  37          1HG       PRO  37  -4.594  18.194   3.771
  198   1HD   PRO  37          2HD       PRO  37  -3.395  16.338   5.527
  199   2HD   PRO  37          1HD       PRO  37  -3.532  16.159   3.766
  200    H    GLY  38           H        GLY  38   1.077  18.978   4.838
  201   1HA   GLY  38          2HA       GLY  38   1.703  20.535   6.711
  202   2HA   GLY  38          1HA       GLY  38   0.463  19.719   7.671
  203    H    CYS  39           H        CYS  39   1.341  17.153   6.183
  204    HA   CYS  39           HA       CYS  39   3.064  16.156   8.255
  205   1HB   CYS  39          2HB       CYS  39   1.524  14.839   6.649
  206   2HB   CYS  39          1HB       CYS  39   2.857  14.943   5.499
  207    H    THR  40           H        THR  40   5.291  15.200   7.742
  208    HA   THR  40           HA       THR  40   6.796  16.466   5.575
  209    HB   THR  40           HB       THR  40   8.055  17.077   8.170
  210    HG1  THR  40           HG1      THR  40   5.984  17.619   8.749
  211   1HG2  THR  40          1HG2      THR  40   7.973  18.022   5.432
  212   2HG2  THR  40          3HG2      THR  40   7.768  19.361   6.561
  213   3HG2  THR  40          2HG2      THR  40   9.188  18.321   6.675
  214    H    LYS  41           H        LYS  41   6.167  13.770   6.817
  215    HA   LYS  41           HA       LYS  41   9.004  12.890   7.198
  216   1HB   LYS  41          2HB       LYS  41   6.818  12.578   8.958
  217   2HB   LYS  41          1HB       LYS  41   7.083  10.992   8.232
  218   1HG   LYS  41          2HG       LYS  41   9.199  10.778   9.131
  219   2HG   LYS  41          1HG       LYS  41   9.483  12.519   9.143
  220   1HD   LYS  41          2HD       LYS  41   9.195  11.611  11.439
  221   2HD   LYS  41          1HD       LYS  41   7.943  12.785  11.031
  222   1HE   LYS  41          2HE       LYS  41   6.347  11.241  11.383
  223   2HE   LYS  41          1HE       LYS  41   7.079  10.184  10.176
  224   1HZ   LYS  41          2HZ       LYS  41   7.965  10.393  13.002
  225   2HZ   LYS  41          1HZ       LYS  41   6.959   9.167  12.392
  226   3HZ   LYS  41          3HZ       LYS  41   8.555   9.309  11.835
  227    H    THR  42           H        THR  42   9.653  11.078   6.012
  228    HA   THR  42           HA       THR  42   7.601   9.868   4.203
  229    HB   THR  42           HB       THR  42   8.984  10.064   2.336
  230    HG1  THR  42           HG1      THR  42  11.063  10.344   4.227
  231   1HG2  THR  42          2HG2      THR  42   8.288  12.320   3.474
  232   2HG2  THR  42          1HG2      THR  42  10.017  12.483   3.782
  233   3HG2  THR  42          3HG2      THR  42   9.426  12.345   2.126
  234    H    PHE  43           H        PHE  43   8.492   7.718   3.274
  235    HA   PHE  43           HA       PHE  43  10.470   6.398   5.030
  236   1HB   PHE  43          2HB       PHE  43   7.812   5.037   4.723
  237   2HB   PHE  43          1HB       PHE  43   9.037   4.819   5.974
  238    HD1  PHE  43           HD1      PHE  43   6.540   7.260   4.647
  239    HD2  PHE  43           HD2      PHE  43   8.933   6.039   7.998
  240    HE1  PHE  43           HE1      PHE  43   5.367   8.905   6.083
  241    HE2  PHE  43           HE2      PHE  43   7.761   7.685   9.435
  242    HZ   PHE  43           HZ       PHE  43   5.978   9.119   8.478
  243    H    LYS  44           H        LYS  44   9.540   3.735   4.184
  244    HA   LYS  44           HA       LYS  44   9.388   3.621   1.314
  245   1HB   LYS  44          2HB       LYS  44  11.722   2.612   1.023
  246   2HB   LYS  44          1HB       LYS  44  11.659   4.359   1.261
  247   1HG   LYS  44          2HG       LYS  44  12.683   4.247   3.288
  248   2HG   LYS  44          1HG       LYS  44  11.807   2.788   3.755
  249   1HD   LYS  44          2HD       LYS  44  13.810   1.756   3.455
  250   2HD   LYS  44          1HD       LYS  44  13.398   1.834   1.742
  251   1HE   LYS  44          2HE       LYS  44  14.805   4.122   3.114
  252   2HE   LYS  44          1HE       LYS  44  15.707   2.757   2.457
  253   1HZ   LYS  44          3HZ       LYS  44  14.621   3.161   0.310
  254   2HZ   LYS  44          2HZ       LYS  44  13.855   4.531   0.960
  255   3HZ   LYS  44          1HZ       LYS  44  15.547   4.488   0.818
  256    H    ARG  45           H        ARG  45   8.429   1.697   0.925
  257    HA   ARG  45           HA       ARG  45   7.541  -0.433   1.427
  258   1HB   ARG  45          2HB       ARG  45   9.792  -0.891   0.418
  259   2HB   ARG  45          1HB       ARG  45  10.462  -0.957   2.049
  260   1HG   ARG  45          2HG       ARG  45   9.095  -2.849   2.623
  261   2HG   ARG  45          1HG       ARG  45   8.155  -2.693   1.139
  262   1HD   ARG  45          2HD       ARG  45   9.838  -4.507   0.969
  263   2HD   ARG  45          1HD       ARG  45  10.141  -3.222  -0.201
  264    HE   ARG  45           HE       ARG  45  11.600  -3.096   2.379
  265   1HH1  ARG  45           HH2      ARG  45  11.976  -1.797  -0.500
  266   2HH1  ARG  45           HH2      ARG  45  13.480  -2.542  -0.931
  267   1HH2  ARG  45           HH1      ARG  45  13.351  -4.893   1.612
  268   2HH2  ARG  45           HH1      ARG  45  14.257  -4.294   0.265
  269    H    ARG  46           H        ARG  46   7.033   1.153   3.587
  270    HA   ARG  46           HA       ARG  46   7.414  -0.759   5.824
  271   1HB   ARG  46          2HB       ARG  46   8.149   2.179   5.905
  272   2HB   ARG  46          1HB       ARG  46   7.924   1.196   7.352
  273   1HG   ARG  46          2HG       ARG  46   9.604  -0.337   5.722
  274   2HG   ARG  46          1HG       ARG  46  10.203   1.313   5.548
  275   1HD   ARG  46          2HD       ARG  46  11.245   1.033   7.528
  276   2HD   ARG  46          1HD       ARG  46   9.649   1.061   8.277
  277    HE   ARG  46           HE       ARG  46  10.576  -1.554   7.253
  278   1HH1  ARG  46           HH2      ARG  46   8.695  -0.198   9.563
  279   2HH1  ARG  46           HH2      ARG  46   9.362  -1.052  10.915
  280   1HH2  ARG  46           HH1      ARG  46  12.053  -2.313   9.130
  281   2HH2  ARG  46           HH1      ARG  46  11.261  -2.250  10.669
  282    H    TYR  47           H        TYR  47   5.727  -0.642   7.379
  283    HA   TYR  47           HA       TYR  47   3.341   0.877   6.453
  284   1HB   TYR  47          2HB       TYR  47   2.673  -0.844   8.620
  285   2HB   TYR  47          1HB       TYR  47   2.213  -1.019   6.929
  286    HD1  TYR  47           HD1      TYR  47   4.634  -2.008   9.530
  287    HD2  TYR  47           HD2      TYR  47   3.431  -2.500   5.438
  288    HE1  TYR  47           HE1      TYR  47   6.095  -4.005   9.340
  289    HE2  TYR  47           HE2      TYR  47   4.890  -4.499   5.246
  290    HH   TYR  47           HH       TYR  47   5.912  -6.174   6.708
  291    H    ASN  48           H        ASN  48   5.790   1.639   8.262
  292    HA   ASN  48           HA       ASN  48   4.699   2.156  10.859
  293   1HB   ASN  48          2HB       ASN  48   6.916   3.636   9.407
  294   2HB   ASN  48          1HB       ASN  48   6.614   3.670  11.144
  295   1HD2  ASN  48           HD2      ASN  48   7.343  -0.118  10.921
  296   2HD2  ASN  48           HD2      ASN  48   5.848   0.683  10.986
  297    H    ILE  49           H        ILE  49   3.909   3.497   7.874
  298    HA   ILE  49           HA       ILE  49   3.360   6.193   8.862
  299    HB   ILE  49           HB       ILE  49   2.367   4.862   6.330
  300   1HG1  ILE  49          2HG1      ILE  49   4.219   6.419   5.372
  301   2HG1  ILE  49          1HG1      ILE  49   4.871   6.380   7.014
  302   1HG2  ILE  49          3HG2      ILE  49   2.289   7.660   7.430
  303   2HG2  ILE  49          2HG2      ILE  49   2.319   7.399   5.687
  304   3HG2  ILE  49          1HG2      ILE  49   1.002   6.737   6.655
  305   1HD1  ILE  49           HD1      ILE  49   4.046   3.759   5.989
  306   2HD1  ILE  49           HD1      ILE  49   5.381   4.491   5.099
  307   3HD1  ILE  49           HD1      ILE  49   5.522   4.225   6.837
  308    H    ARG  50           H        ARG  50   1.311   3.498   7.707
  309    HA   ARG  50           HA       ARG  50  -1.122   4.596   8.435
  310   1HB   ARG  50          2HB       ARG  50  -0.948   2.385   7.342
  311   2HB   ARG  50          1HB       ARG  50  -0.297   1.697   8.830
  312   1HG   ARG  50          2HG       ARG  50  -2.418   2.419   9.994
  313   2HG   ARG  50          1HG       ARG  50  -3.065   2.855   8.411
  314   1HD   ARG  50          2HD       ARG  50  -3.832   0.632   8.838
  315   2HD   ARG  50          1HD       ARG  50  -2.515   0.474   7.677
  316    HE   ARG  50           HE       ARG  50  -1.056  -0.155   9.629
  317   1HH1  ARG  50           HH2      ARG  50  -3.209   0.696  11.658
  318   2HH1  ARG  50           HH2      ARG  50  -3.779  -0.852  12.185
  319   1HH2  ARG  50           HH1      ARG  50  -2.337  -2.577   9.544
  320   2HH2  ARG  50           HH1      ARG  50  -3.285  -2.706  10.987
  321    H    SER  51           H        SER  51   1.414   3.513  10.551
  322    HA   SER  51           HA       SER  51  -0.369   3.656  12.904
  323   1HB   SER  51          2HB       SER  51   1.748   2.100  12.560
  324   2HB   SER  51          1HB       SER  51   2.632   3.532  13.082
  325    HG   SER  51           HG       SER  51   1.174   3.555  14.919
  326    H    HIS  52           H        HIS  52   2.184   5.447  11.290
  327    HA   HIS  52           HA       HIS  52   2.378   7.565  13.226
  328   1HB   HIS  52          2HB       HIS  52   4.230   7.759  11.905
  329   2HB   HIS  52          1HB       HIS  52   3.453   6.941  10.557
  330    HD1  HIS  52           HD1      HIS  52   4.409  10.269  11.799
  331    HD2  HIS  52           HD2      HIS  52   1.811   8.765   8.902
  332    HE1  HIS  52           HE1      HIS  52   3.732  12.233  10.353
  333    H    ILE  53           H        ILE  53   0.783   7.516  10.004
  334    HA   ILE  53           HA       ILE  53  -0.502  10.024  10.395
  335    HB   ILE  53           HB       ILE  53  -2.272   8.889   8.765
  336   1HG1  ILE  53          2HG1      ILE  53   0.180   7.175   8.315
  337   2HG1  ILE  53          1HG1      ILE  53  -1.239   6.603   9.200
  338   1HG2  ILE  53          1HG2      ILE  53  -0.050  10.482   8.495
  339   2HG2  ILE  53          3HG2      ILE  53   0.312   9.143   7.406
  340   3HG2  ILE  53          2HG2      ILE  53  -1.172  10.075   7.196
  341   1HD1  ILE  53           HD1      ILE  53  -2.620   7.288   7.187
  342   2HD1  ILE  53           HD1      ILE  53  -1.100   7.532   6.327
  343   3HD1  ILE  53           HD1      ILE  53  -1.531   5.926   6.918
  344    H    GLN  54           H        GLN  54  -1.290   6.821  11.581
  345    HA   GLN  54           HA       GLN  54  -4.039   7.305  12.128
  346   1HB   GLN  54          2HB       GLN  54  -2.180   5.253  12.704
  347   2HB   GLN  54          1HB       GLN  54  -2.850   5.758  14.255
  348   1HG   GLN  54          2HG       GLN  54  -4.441   4.199  13.591
  349   2HG   GLN  54          1HG       GLN  54  -5.142   5.683  12.943
  350   1HE2  GLN  54          2HE2      GLN  54  -3.670   4.761   9.593
  351   2HE2  GLN  54          1HE2      GLN  54  -3.387   6.032  10.680
  352    H    THR  55           H        THR  55  -1.143   8.379  13.809
  353    HA   THR  55           HA       THR  55  -2.774   9.343  16.055
  354    HB   THR  55           HB       THR  55  -0.148  10.501  16.047
  355    HG1  THR  55           HG1      THR  55  -0.333   7.743  15.437
  356   1HG2  THR  55          3HG2      THR  55  -1.496   9.948  18.035
  357   2HG2  THR  55          2HG2      THR  55  -1.360   8.232  17.651
  358   3HG2  THR  55          1HG2      THR  55   0.076   9.152  18.098
  359    H    HIS  56           H        HIS  56  -0.981  10.758  13.329
  360    HA   HIS  56           HA       HIS  56  -2.216  13.351  14.009
  361   1HB   HIS  56          2HB       HIS  56  -0.379  14.316  13.169
  362   2HB   HIS  56          1HB       HIS  56   0.331  12.721  13.251
  363    HD1  HIS  56           HD1      HIS  56  -1.225  15.144  10.799
  364    HD2  HIS  56           HD2      HIS  56   0.916  11.570  10.751
  365    HE1  HIS  56           HE1      HIS  56  -0.236  14.923   8.471
  366    H    LEU  57           H        LEU  57  -3.486  10.907  12.734
  367    HA   LEU  57           HA       LEU  57  -5.076  12.419  10.805
  368   1HB   LEU  57          2HB       LEU  57  -3.062  11.359   9.539
  369   2HB   LEU  57          1HB       LEU  57  -3.901   9.830   9.799
  370    HG   LEU  57           HG       LEU  57  -5.858  10.616   8.632
  371   1HD1  LEU  57           HD1      LEU  57  -4.535  13.233   9.042
  372   2HD1  LEU  57           HD1      LEU  57  -5.352  13.029   7.492
  373   3HD1  LEU  57           HD1      LEU  57  -6.253  12.836   8.996
  374   1HD2  LEU  57           HD2      LEU  57  -3.246  10.480   7.440
  375   2HD2  LEU  57           HD2      LEU  57  -4.798  10.033   6.732
  376   3HD2  LEU  57           HD2      LEU  57  -4.202  11.686   6.579
  377    H    GLU  58           H        GLU  58  -5.024  10.474  13.378
  378    HA   GLU  58           HA       GLU  58  -6.549   8.204  12.965
  379   1HB   GLU  58          2HB       GLU  58  -5.841   9.654  15.171
  380   2HB   GLU  58          1HB       GLU  58  -7.584   9.931  15.136
  381   1HG   GLU  58          2HG       GLU  58  -6.262   7.205  15.007
  382   2HG   GLU  58          1HG       GLU  58  -6.982   7.910  16.455
  383    H    ASP  59           H        ASP  59  -8.081  11.346  13.755
  384    HA   ASP  59           HA       ASP  59  -9.988  11.092  11.571
  385   1HB   ASP  59          2HB       ASP  59 -10.926   9.452  13.176
  386   2HB   ASP  59          1HB       ASP  59 -10.991  10.712  14.409
  387    H    ARG  60           H        ARG  60  -9.289  13.242  11.143
  388    HA   ARG  60           HA       ARG  60 -10.635  15.273  12.807
  389   1HB   ARG  60          2HB       ARG  60  -7.778  14.787  12.926
  390   2HB   ARG  60          1HB       ARG  60  -8.109  16.411  12.321
  391   1HG   ARG  60          2HG       ARG  60  -9.910  15.884  14.480
  392   2HG   ARG  60          1HG       ARG  60  -8.280  15.469  15.011
  393   1HD   ARG  60          2HD       ARG  60  -7.709  17.779  13.787
  394   2HD   ARG  60          1HD       ARG  60  -9.392  18.114  14.198
  395    HE   ARG  60           HE       ARG  60  -7.279  17.450  16.206
  396   1HH1  ARG  60           HH2      ARG  60 -10.584  17.972  15.686
  397   2HH1  ARG  60           HH2      ARG  60 -10.788  19.059  17.020
  398   1HH2  ARG  60           HH1      ARG  60  -7.403  19.217  17.752
  399   2HH2  ARG  60           HH1      ARG  60  -8.988  19.763  18.189
   
  No H/Q in entry =         399
  Start of MODEL   41
    1   1H    THR  14          1H        THR  14 -18.953   3.588   9.834
    2   2H    THR  14          3H        THR  14 -20.610   3.937   9.929
    3   3H    THR  14          2H        THR  14 -20.045   2.806   8.793
    4    HA   THR  14           HA       THR  14 -20.518   4.816   7.633
    5    HB   THR  14           HB       THR  14 -18.596   6.603   8.717
    6    HG1  THR  14           HG1      THR  14 -20.433   5.818  10.698
    7   1HG2  THR  14          3HG2      THR  14 -21.063   6.758   7.654
    8   2HG2  THR  14          2HG2      THR  14 -21.483   6.927   9.359
    9   3HG2  THR  14          1HG2      THR  14 -20.361   8.064   8.611
   10    H    LEU  15           H        LEU  15 -18.704   2.562   7.470
   11    HA   LEU  15           HA       LEU  15 -16.815   1.898   6.244
   12   1HB   LEU  15          2HB       LEU  15 -17.458   4.602   5.081
   13   2HB   LEU  15          1HB       LEU  15 -16.053   3.693   4.525
   14    HG   LEU  15           HG       LEU  15 -18.900   2.649   4.561
   15   1HD1  LEU  15           HD1      LEU  15 -17.162   3.864   2.423
   16   2HD1  LEU  15           HD1      LEU  15 -18.409   2.692   2.000
   17   3HD1  LEU  15           HD1      LEU  15 -18.852   4.202   2.798
   18   1HD2  LEU  15           HD2      LEU  15 -16.254   1.420   4.176
   19   2HD2  LEU  15           HD2      LEU  15 -17.804   0.658   4.531
   20   3HD2  LEU  15           HD2      LEU  15 -17.387   1.077   2.870
   21    HA   PRO  16           HA       PRO  16 -13.844   3.877   9.017
   22   1HB   PRO  16          2HB       PRO  16 -12.293   1.626   9.278
   23   2HB   PRO  16          1HB       PRO  16 -13.750   1.929  10.240
   24   1HG   PRO  16          2HG       PRO  16 -13.365   0.044   7.961
   25   2HG   PRO  16          1HG       PRO  16 -14.508  -0.048   9.311
   26   1HD   PRO  16          2HD       PRO  16 -15.123   0.783   6.678
   27   2HD   PRO  16          1HD       PRO  16 -16.151   1.006   8.109
   28    H    ARG  17           H        ARG  17 -11.604   4.464   8.709
   29    HA   ARG  17           HA       ARG  17  -9.618   4.803   7.480
   30   1HB   ARG  17          2HB       ARG  17  -9.993   2.296   6.887
   31   2HB   ARG  17          1HB       ARG  17 -10.632   2.913   5.362
   32   1HG   ARG  17          2HG       ARG  17  -8.457   2.868   4.696
   33   2HG   ARG  17          1HG       ARG  17  -8.338   4.378   5.598
   34   1HD   ARG  17          2HD       ARG  17  -7.477   1.617   6.413
   35   2HD   ARG  17          1HD       ARG  17  -6.581   3.132   6.506
   36    HE   ARG  17           HE       ARG  17  -8.873   3.266   8.229
   37   1HH1  ARG  17           HH2      ARG  17  -5.559   2.512   7.948
   38   2HH1  ARG  17           HH2      ARG  17  -5.375   2.025   9.600
   39   1HH2  ARG  17           HH1      ARG  17  -8.750   2.327  10.340
   40   2HH2  ARG  17           HH1      ARG  17  -7.182   1.920  10.954
   41    H    GLY  18           H        GLY  18 -10.990   6.857   7.232
   42   1HA   GLY  18          2HA       GLY  18 -11.629   7.267   4.335
   43   2HA   GLY  18          1HA       GLY  18 -12.511   8.077   5.630
   44    H    SER  19           H        SER  19  -9.033   7.606   5.745
   45    HA   SER  19           HA       SER  19  -8.380  10.232   4.693
   46   1HB   SER  19          2HB       SER  19  -9.415  10.694   6.992
   47   2HB   SER  19          1HB       SER  19  -8.010   9.882   7.674
   48    HG   SER  19           HG       SER  19  -7.766  12.179   7.462
   49    H    ILE  20           H        ILE  20  -7.430   7.485   6.706
   50    HA   ILE  20           HA       ILE  20  -4.605   7.868   6.551
   51    HB   ILE  20           HB       ILE  20  -5.948   5.165   6.596
   52   1HG1  ILE  20          2HG1      ILE  20  -7.200   6.359   8.227
   53   2HG1  ILE  20          1HG1      ILE  20  -5.928   5.554   9.147
   54   1HG2  ILE  20          1HG2      ILE  20  -3.379   5.591   6.531
   55   2HG2  ILE  20          3HG2      ILE  20  -3.583   6.097   8.208
   56   3HG2  ILE  20          2HG2      ILE  20  -4.015   4.458   7.724
   57   1HD1  ILE  20           HD1      ILE  20  -4.657   7.860   8.513
   58   2HD1  ILE  20           HD1      ILE  20  -6.321   8.440   8.588
   59   3HD1  ILE  20           HD1      ILE  20  -5.599   7.652   9.990
   60    H    ASP  21           H        ASP  21  -6.635   5.621   4.684
   61    HA   ASP  21           HA       ASP  21  -4.567   5.077   2.746
   62   1HB   ASP  21          2HB       ASP  21  -7.544   4.587   2.822
   63   2HB   ASP  21          1HB       ASP  21  -6.584   4.186   1.398
   64    H    LYS  22           H        LYS  22  -6.444   7.810   3.253
   65    HA   LYS  22           HA       LYS  22  -6.652   8.543   0.399
   66   1HB   LYS  22          2HB       LYS  22  -8.366   9.107   2.289
   67   2HB   LYS  22          1HB       LYS  22  -7.234  10.395   2.701
   68   1HG   LYS  22          2HG       LYS  22  -7.508  10.498  -0.102
   69   2HG   LYS  22          1HG       LYS  22  -9.142  10.282   0.528
   70   1HD   LYS  22          2HD       LYS  22  -7.306  12.291   1.805
   71   2HD   LYS  22          1HD       LYS  22  -8.163  12.706   0.320
   72   1HE   LYS  22          2HE       LYS  22  -9.990  11.426   2.136
   73   2HE   LYS  22          1HE       LYS  22  -9.177  12.751   2.970
   74   1HZ   LYS  22          2HZ       LYS  22 -10.146  13.222   0.250
   75   2HZ   LYS  22          1HZ       LYS  22 -11.295  13.157   1.500
   76   3HZ   LYS  22          3HZ       LYS  22 -10.038  14.294   1.563
   77    H    TYR  23           H        TYR  23  -4.243   8.577   2.694
   78    HA   TYR  23           HA       TYR  23  -2.805  10.701   1.203
   79   1HB   TYR  23          2HB       TYR  23  -3.157  10.614   4.211
   80   2HB   TYR  23          1HB       TYR  23  -1.936  11.597   3.403
   81    HD1  TYR  23           HD2      TYR  23  -2.951  12.968   1.286
   82    HD2  TYR  23           HD1      TYR  23  -5.151  11.681   4.743
   83    HE1  TYR  23           HE2      TYR  23  -4.649  14.725   0.859
   84    HE2  TYR  23           HE1      TYR  23  -6.850  13.437   4.316
   85    HH   TYR  23           HH       TYR  23  -7.077  15.532   3.170
   86    H    VAL  24           H        VAL  24  -2.462   7.909   0.991
   87    HA   VAL  24           HA       VAL  24   0.159   7.530   2.388
   88    HB   VAL  24           HB       VAL  24  -1.842   5.434   1.487
   89   1HG1  VAL  24          1HG1      VAL  24   1.006   5.330   2.313
   90   2HG1  VAL  24          3HG1      VAL  24  -0.054   4.136   3.061
   91   3HG1  VAL  24          2HG1      VAL  24   0.084   4.214   1.305
   92   1HG2  VAL  24          2HG2      VAL  24  -1.931   6.981   3.744
   93   2HG2  VAL  24          1HG2      VAL  24  -2.577   5.343   3.644
   94   3HG2  VAL  24          3HG2      VAL  24  -0.965   5.617   4.305
   95    H    LYS  25           H        LYS  25   1.873   7.507   1.007
   96    HA   LYS  25           HA       LYS  25   1.315   6.868  -1.864
   97   1HB   LYS  25          2HB       LYS  25   2.196   9.232  -1.056
   98   2HB   LYS  25          1HB       LYS  25   3.749   8.397  -1.016
   99   1HG   LYS  25          2HG       LYS  25   3.611   9.279  -3.213
  100   2HG   LYS  25          1HG       LYS  25   3.169   7.580  -3.391
  101   1HD   LYS  25          2HD       LYS  25   0.808   9.073  -2.744
  102   2HD   LYS  25          1HD       LYS  25   1.623   9.865  -4.093
  103   1HE   LYS  25          2HE       LYS  25   1.726   7.035  -4.518
  104   2HE   LYS  25          1HE       LYS  25   0.059   7.481  -4.150
  105   1HZ   LYS  25          3HZ       LYS  25   0.595   9.414  -5.802
  106   2HZ   LYS  25          2HZ       LYS  25   1.764   8.324  -6.380
  107   3HZ   LYS  25          1HZ       LYS  25   0.121   7.891  -6.377
  108    H    GLU  26           H        GLU  26   1.730   4.603  -1.594
  109    HA   GLU  26           HA       GLU  26   4.305   3.740  -0.474
  110   1HB   GLU  26          2HB       GLU  26   3.542   1.477  -1.059
  111   2HB   GLU  26          1HB       GLU  26   2.262   2.349  -0.215
  112   1HG   GLU  26          2HG       GLU  26   1.898   2.988  -2.921
  113   2HG   GLU  26          1HG       GLU  26   2.266   1.262  -2.908
  114    H    MET  27           H        MET  27   5.850   4.712  -1.875
  115    HA   MET  27           HA       MET  27   5.724   4.587  -4.728
  116   1HB   MET  27          2HB       MET  27   8.285   4.661  -3.126
  117   2HB   MET  27          1HB       MET  27   7.970   5.371  -4.710
  118   1HG   MET  27          2HG       MET  27   6.032   6.575  -3.206
  119   2HG   MET  27          1HG       MET  27   7.326   6.410  -2.020
  120   1HE   MET  27          2HE       MET  27   5.941   7.775  -5.105
  121   2HE   MET  27          1HE       MET  27   5.953   9.133  -3.983
  122   3HE   MET  27          3HE       MET  27   6.894   9.208  -5.480
  123    HA   PRO  28           HA       PRO  28   6.723   0.320  -5.296
  124   1HB   PRO  28          2HB       PRO  28   7.239   0.474  -7.998
  125   2HB   PRO  28          1HB       PRO  28   5.608   0.432  -7.308
  126   1HG   PRO  28          2HG       PRO  28   7.116   2.754  -8.434
  127   2HG   PRO  28          1HG       PRO  28   5.367   2.471  -8.379
  128   1HD   PRO  28          2HD       PRO  28   6.779   4.180  -6.654
  129   2HD   PRO  28          1HD       PRO  28   5.150   3.537  -6.352
  130    H    ASP  29           H        ASP  29   8.833   2.951  -5.622
  131    HA   ASP  29           HA       ASP  29  11.164   1.321  -6.392
  132   1HB   ASP  29          2HB       ASP  29  12.398   3.393  -6.373
  133   2HB   ASP  29          1HB       ASP  29  10.853   3.723  -7.156
  134    H    LYS  30           H        LYS  30   9.461   1.222  -3.771
  135    HA   LYS  30           HA       LYS  30   9.963   0.467  -1.620
  136   1HB   LYS  30          2HB       LYS  30  12.840   1.105  -2.273
  137   2HB   LYS  30          1HB       LYS  30  12.258   0.088  -0.963
  138   1HG   LYS  30          2HG       LYS  30  11.445  -1.569  -2.508
  139   2HG   LYS  30          1HG       LYS  30  11.731  -0.504  -3.886
  140   1HD   LYS  30          2HD       LYS  30  14.144  -0.583  -3.489
  141   2HD   LYS  30          1HD       LYS  30  13.895  -1.572  -2.050
  142   1HE   LYS  30          2HE       LYS  30  14.507  -2.759  -4.294
  143   2HE   LYS  30          1HE       LYS  30  13.228  -3.446  -3.293
  144   1HZ   LYS  30          2HZ       LYS  30  12.556  -1.442  -5.338
  145   2HZ   LYS  30          1HZ       LYS  30  12.826  -3.053  -5.806
  146   3HZ   LYS  30          3HZ       LYS  30  11.596  -2.689  -4.696
  147    H    THR  31           H        THR  31   8.996   2.973  -2.015
  148    HA   THR  31           HA       THR  31  10.408   4.510   0.091
  149    HB   THR  31           HB       THR  31   9.222   5.999  -2.199
  150    HG1  THR  31           HG1      THR  31  11.908   5.194  -2.255
  151   1HG2  THR  31          3HG2      THR  31  11.152   6.432   0.007
  152   2HG2  THR  31          2HG2      THR  31  11.516   7.252  -1.513
  153   3HG2  THR  31          1HG2      THR  31   9.979   7.546  -0.698
  154    H    PHE  32           H        PHE  32   8.871   6.490   0.667
  155    HA   PHE  32           HA       PHE  32   6.014   5.808   0.401
  156   1HB   PHE  32          2HB       PHE  32   7.590   5.244   2.801
  157   2HB   PHE  32          1HB       PHE  32   6.201   6.280   3.128
  158    HD1  PHE  32           HD1      PHE  32   7.199   3.087   1.462
  159    HD2  PHE  32           HD2      PHE  32   4.025   5.386   3.216
  160    HE1  PHE  32           HE1      PHE  32   5.693   1.123   1.313
  161    HE2  PHE  32           HE2      PHE  32   2.520   3.422   3.070
  162    HZ   PHE  32           HZ       PHE  32   3.354   1.292   2.120
  163    H    GLU  33           H        GLU  33   4.655   7.598   0.889
  164    HA   GLU  33           HA       GLU  33   5.918  10.089   1.841
  165   1HB   GLU  33          2HB       GLU  33   5.890   9.659  -0.857
  166   2HB   GLU  33          1HB       GLU  33   4.342  10.475  -0.629
  167   1HG   GLU  33          2HG       GLU  33   5.644  12.196   0.769
  168   2HG   GLU  33          1HG       GLU  33   7.102  11.479   0.081
  169    H    CYS  34           H        CYS  34   4.516  10.712   3.386
  170    HA   CYS  34           HA       CYS  34   1.716   9.930   3.381
  171   1HB   CYS  34          2HB       CYS  34   3.189  10.328   5.426
  172   2HB   CYS  34          1HB       CYS  34   3.042  12.050   5.089
  173    H    LEU  35           H        LEU  35   0.412  10.889   1.854
  174    HA   LEU  35           HA       LEU  35   0.935  13.569   0.854
  175   1HB   LEU  35          2HB       LEU  35  -1.552  11.878   0.492
  176   2HB   LEU  35          1HB       LEU  35  -1.049  13.243  -0.505
  177    HG   LEU  35           HG       LEU  35   1.161  11.493  -0.438
  178   1HD1  LEU  35           HD1      LEU  35  -1.289  10.053  -0.027
  179   2HD1  LEU  35           HD1      LEU  35  -0.682   9.688  -1.641
  180   3HD1  LEU  35           HD1      LEU  35   0.340   9.408  -0.231
  181   1HD2  LEU  35           HD2      LEU  35  -0.530  12.835  -2.297
  182   2HD2  LEU  35           HD2      LEU  35   1.058  12.130  -2.598
  183   3HD2  LEU  35           HD2      LEU  35  -0.396  11.159  -2.831
  184    H    PHE  36           H        PHE  36  -0.216  12.691   3.785
  185    HA   PHE  36           HA       PHE  36  -2.631  14.153   4.102
  186   1HB   PHE  36          2HB       PHE  36  -1.644  12.618   5.815
  187   2HB   PHE  36          1HB       PHE  36  -0.407  13.833   6.141
  188    HD1  PHE  36           HD2      PHE  36  -1.221  16.210   6.793
  189    HD2  PHE  36           HD1      PHE  36  -3.717  12.716   6.914
  190    HE1  PHE  36           HE2      PHE  36  -2.768  17.367   8.347
  191    HE2  PHE  36           HE1      PHE  36  -5.265  13.877   8.463
  192    HZ   PHE  36           HZ       PHE  36  -4.791  16.202   9.180
  193    HA   PRO  37           HA       PRO  37  -1.139  18.271   3.610
  194   1HB   PRO  37          2HB       PRO  37  -3.327  19.562   4.672
  195   2HB   PRO  37          1HB       PRO  37  -3.294  18.864   3.043
  196   1HG   PRO  37          2HG       PRO  37  -4.631  17.829   5.504
  197   2HG   PRO  37          1HG       PRO  37  -5.071  17.592   3.805
  198   1HD   PRO  37          2HD       PRO  37  -3.749  15.705   5.427
  199   2HD   PRO  37          1HD       PRO  37  -3.842  15.657   3.654
  200    H    GLY  38           H        GLY  38   0.486  18.867   4.964
  201   1HA   GLY  38          2HA       GLY  38   0.978  20.300   6.951
  202   2HA   GLY  38          1HA       GLY  38  -0.189  19.319   7.843
  203    H    CYS  39           H        CYS  39   0.924  16.944   6.202
  204    HA   CYS  39           HA       CYS  39   2.718  15.968   8.225
  205   1HB   CYS  39          2HB       CYS  39   1.293  14.624   6.541
  206   2HB   CYS  39          1HB       CYS  39   2.604  14.915   5.398
  207    H    THR  40           H        THR  40   5.014  15.220   7.657
  208    HA   THR  40           HA       THR  40   6.419  16.693   5.572
  209    HB   THR  40           HB       THR  40   7.171  17.351   8.426
  210    HG1  THR  40           HG1      THR  40   6.135  19.388   7.914
  211   1HG2  THR  40          3HG2      THR  40   8.036  18.154   5.687
  212   2HG2  THR  40          2HG2      THR  40   8.059  19.392   6.943
  213   3HG2  THR  40          1HG2      THR  40   8.999  17.913   7.144
  214    H    LYS  41           H        LYS  41   6.037  13.912   6.697
  215    HA   LYS  41           HA       LYS  41   8.947  13.274   6.934
  216   1HB   LYS  41          2HB       LYS  41   7.396  13.142   9.108
  217   2HB   LYS  41          1HB       LYS  41   6.975  11.578   8.407
  218   1HG   LYS  41          2HG       LYS  41   9.518  11.211   8.161
  219   2HG   LYS  41          1HG       LYS  41   9.692  12.569   9.273
  220   1HD   LYS  41          2HD       LYS  41   7.971  10.150   9.871
  221   2HD   LYS  41          1HD       LYS  41   9.654  10.289  10.382
  222   1HE   LYS  41          2HE       LYS  41   9.108  12.371  11.601
  223   2HE   LYS  41          1HE       LYS  41   7.422  12.213  11.105
  224   1HZ   LYS  41          1HZ       LYS  41   8.176   9.779  12.201
  225   2HZ   LYS  41          3HZ       LYS  41   8.754  10.971  13.259
  226   3HZ   LYS  41          2HZ       LYS  41   7.103  10.923  12.856
  227    H    THR  42           H        THR  42   9.579  11.413   5.825
  228    HA   THR  42           HA       THR  42   7.421  10.012   4.292
  229    HB   THR  42           HB       THR  42   8.736  10.007   2.379
  230    HG1  THR  42           HG1      THR  42  10.919  10.311   4.155
  231   1HG2  THR  42          3HG2      THR  42   8.442  12.432   3.650
  232   2HG2  THR  42          2HG2      THR  42  10.170  12.402   3.299
  233   3HG2  THR  42          1HG2      THR  42   9.002  12.224   1.990
  234    H    PHE  43           H        PHE  43   8.438   7.783   3.451
  235    HA   PHE  43           HA       PHE  43  10.275   6.582   5.424
  236   1HB   PHE  43          2HB       PHE  43   7.573   5.295   5.024
  237   2HB   PHE  43          1HB       PHE  43   8.770   4.966   6.277
  238    HD1  PHE  43           HD1      PHE  43   6.366   7.519   5.026
  239    HD2  PHE  43           HD2      PHE  43   8.821   6.218   8.301
  240    HE1  PHE  43           HE1      PHE  43   5.294   9.203   6.498
  241    HE2  PHE  43           HE2      PHE  43   7.748   7.901   9.773
  242    HZ   PHE  43           HZ       PHE  43   5.985   9.395   8.871
  243    H    LYS  44           H        LYS  44   9.479   3.869   4.706
  244    HA   LYS  44           HA       LYS  44  10.024   3.835   1.775
  245   1HB   LYS  44          2HB       LYS  44  11.674   2.004   2.148
  246   2HB   LYS  44          1HB       LYS  44  12.185   3.525   2.882
  247   1HG   LYS  44          2HG       LYS  44  11.186   2.729   5.052
  248   2HG   LYS  44          1HG       LYS  44  10.911   1.162   4.287
  249   1HD   LYS  44          2HD       LYS  44  13.581   1.787   3.698
  250   2HD   LYS  44          1HD       LYS  44  13.368   2.256   5.386
  251   1HE   LYS  44          2HE       LYS  44  13.582   0.079   5.926
  252   2HE   LYS  44          1HE       LYS  44  12.024  -0.195   5.147
  253   1HZ   LYS  44          3HZ       LYS  44  14.116   0.018   3.233
  254   2HZ   LYS  44          2HZ       LYS  44  14.456  -1.204   4.364
  255   3HZ   LYS  44          1HZ       LYS  44  13.008  -1.243   3.475
  256    H    ARG  45           H        ARG  45  10.016   1.224   1.218
  257    HA   ARG  45           HA       ARG  45   7.394   0.363   1.204
  258   1HB   ARG  45          2HB       ARG  45   9.237  -0.784   0.002
  259   2HB   ARG  45          1HB       ARG  45   9.805  -1.448   1.534
  260   1HG   ARG  45          2HG       ARG  45   7.111  -2.094   1.536
  261   2HG   ARG  45          1HG       ARG  45   7.573  -2.316  -0.152
  262   1HD   ARG  45          2HD       ARG  45   9.664  -3.390   1.462
  263   2HD   ARG  45          1HD       ARG  45   8.137  -4.024   2.075
  264    HE   ARG  45           HE       ARG  45   8.033  -5.343   0.136
  265   1HH1  ARG  45           HH2      ARG  45  10.760  -3.425  -0.136
  266   2HH1  ARG  45           HH2      ARG  45  10.812  -3.426  -1.868
  267   1HH2  ARG  45           HH1      ARG  45   7.721  -4.957  -2.223
  268   2HH2  ARG  45           HH1      ARG  45   9.090  -4.293  -3.050
  269    H    ARG  46           H        ARG  46   6.018   0.169   2.899
  270    HA   ARG  46           HA       ARG  46   6.077  -1.715   4.902
  271   1HB   ARG  46          2HB       ARG  46   7.971   0.457   5.461
  272   2HB   ARG  46          1HB       ARG  46   6.813   0.195   6.765
  273   1HG   ARG  46          2HG       ARG  46   8.143  -2.181   5.509
  274   2HG   ARG  46          1HG       ARG  46   9.046  -1.213   6.675
  275   1HD   ARG  46          2HD       ARG  46   7.145  -1.471   8.285
  276   2HD   ARG  46          1HD       ARG  46   6.367  -2.558   7.132
  277    HE   ARG  46           HE       ARG  46   8.095  -4.190   7.566
  278   1HH1  ARG  46           HH2      ARG  46  10.464  -2.485   7.977
  279   2HH1  ARG  46           HH2      ARG  46  10.710  -2.565   9.689
  280   1HH2  ARG  46           HH1      ARG  46   7.527  -3.764  10.361
  281   2HH2  ARG  46           HH1      ARG  46   9.047  -3.287  11.039
  282    H    TYR  47           H        TYR  47   4.538  -1.199   6.713
  283    HA   TYR  47           HA       TYR  47   2.569   0.836   5.801
  284   1HB   TYR  47          2HB       TYR  47   1.526  -0.680   7.973
  285   2HB   TYR  47          1HB       TYR  47   1.032  -0.745   6.284
  286    HD1  TYR  47           HD2      TYR  47   2.382  -2.248   4.697
  287    HD2  TYR  47           HD1      TYR  47   2.648  -2.488   8.976
  288    HE1  TYR  47           HE2      TYR  47   3.340  -4.529   4.507
  289    HE2  TYR  47           HE1      TYR  47   3.605  -4.771   8.789
  290    HH   TYR  47           HH       TYR  47   4.884  -6.005   6.030
  291    H    ASN  48           H        ASN  48   5.134   1.059   7.557
  292    HA   ASN  48           HA       ASN  48   4.350   1.703  10.199
  293   1HB   ASN  48          2HB       ASN  48   6.547   3.087   8.637
  294   2HB   ASN  48          1HB       ASN  48   6.448   2.878  10.387
  295   1HD2  ASN  48           HD2      ASN  48   7.044  -0.763  10.031
  296   2HD2  ASN  48           HD2      ASN  48   5.874   0.230  10.755
  297    H    ILE  49           H        ILE  49   3.611   3.308   7.271
  298    HA   ILE  49           HA       ILE  49   3.361   5.975   8.415
  299    HB   ILE  49           HB       ILE  49   2.172   4.760   5.905
  300   1HG1  ILE  49          2HG1      ILE  49   3.829   6.302   4.827
  301   2HG1  ILE  49          1HG1      ILE  49   4.469   6.659   6.437
  302   1HG2  ILE  49          3HG2      ILE  49   1.890   7.470   7.174
  303   2HG2  ILE  49          2HG2      ILE  49   1.883   7.328   5.417
  304   3HG2  ILE  49          1HG2      ILE  49   0.667   6.484   6.375
  305   1HD1  ILE  49           HD1      ILE  49   4.129   3.820   5.547
  306   2HD1  ILE  49           HD1      ILE  49   5.555   4.735   5.057
  307   3HD1  ILE  49           HD1      ILE  49   5.216   4.480   6.770
  308    H    ARG  50           H        ARG  50   0.964   3.600   7.290
  309    HA   ARG  50           HA       ARG  50  -1.295   4.807   8.211
  310   1HB   ARG  50          2HB       ARG  50  -1.315   2.602   7.090
  311   2HB   ARG  50          1HB       ARG  50  -0.670   1.857   8.553
  312   1HG   ARG  50          2HG       ARG  50  -2.846   3.218   9.533
  313   2HG   ARG  50          1HG       ARG  50  -3.419   2.713   7.943
  314   1HD   ARG  50          2HD       ARG  50  -3.951   0.828   9.180
  315   2HD   ARG  50          1HD       ARG  50  -2.322   0.404   8.652
  316    HE   ARG  50           HE       ARG  50  -1.914   1.730  11.048
  317   1HH1  ARG  50           HH2      ARG  50  -3.400  -1.122   9.851
  318   2HH1  ARG  50           HH2      ARG  50  -3.562  -1.861  11.409
  319   1HH2  ARG  50           HH1      ARG  50  -2.309   0.877  13.129
  320   2HH2  ARG  50           HH1      ARG  50  -2.945  -0.728  13.264
  321    H    SER  51           H        SER  51   1.221   3.447  10.215
  322    HA   SER  51           HA       SER  51  -0.452   3.719  12.634
  323   1HB   SER  51          2HB       SER  51   1.603   2.046  12.118
  324   2HB   SER  51          1HB       SER  51   2.508   3.379  12.831
  325    HG   SER  51           HG       SER  51   1.081   3.255  14.626
  326    H    HIS  52           H        HIS  52   2.266   5.291  11.032
  327    HA   HIS  52           HA       HIS  52   2.707   7.331  12.975
  328   1HB   HIS  52          2HB       HIS  52   4.453   7.505  11.511
  329   2HB   HIS  52          1HB       HIS  52   3.537   6.744  10.216
  330    HD1  HIS  52           HD1      HIS  52   4.781   9.997  11.373
  331    HD2  HIS  52           HD2      HIS  52   1.787   8.681   8.785
  332    HE1  HIS  52           HE1      HIS  52   4.044  12.018  10.036
  333    H    ILE  53           H        ILE  53   0.812   7.469   9.938
  334    HA   ILE  53           HA       ILE  53  -0.225  10.053  10.449
  335    HB   ILE  53           HB       ILE  53  -2.267   9.015   9.044
  336   1HG1  ILE  53          2HG1      ILE  53   0.081   7.229   8.352
  337   2HG1  ILE  53          1HG1      ILE  53  -1.354   6.690   9.229
  338   1HG2  ILE  53          2HG2      ILE  53  -0.386  10.732   8.480
  339   2HG2  ILE  53          1HG2      ILE  53   0.370   9.372   7.650
  340   3HG2  ILE  53          3HG2      ILE  53  -1.230   9.926   7.158
  341   1HD1  ILE  53           HD1      ILE  53  -2.739   7.486   7.298
  342   2HD1  ILE  53           HD1      ILE  53  -1.244   7.832   6.428
  343   3HD1  ILE  53           HD1      ILE  53  -1.640   6.172   6.877
  344    H    GLN  54           H        GLN  54  -1.573   6.844  11.235
  345    HA   GLN  54           HA       GLN  54  -3.987   7.557  12.367
  346   1HB   GLN  54          2HB       GLN  54  -2.241   5.334  12.578
  347   2HB   GLN  54          1HB       GLN  54  -2.663   5.796  14.227
  348   1HG   GLN  54          2HG       GLN  54  -4.452   4.407  13.710
  349   2HG   GLN  54          1HG       GLN  54  -5.101   5.970  13.212
  350   1HE2  GLN  54          2HE2      GLN  54  -3.980   5.014   9.691
  351   2HE2  GLN  54          1HE2      GLN  54  -3.348   6.133  10.797
  352    H    THR  55           H        THR  55  -0.785   8.256  13.655
  353    HA   THR  55           HA       THR  55  -1.934   9.184  16.182
  354    HB   THR  55           HB       THR  55   0.637  10.284  15.925
  355    HG1  THR  55           HG1      THR  55   0.580   7.629  14.942
  356   1HG2  THR  55          2HG2      THR  55  -0.717   8.121  17.386
  357   2HG2  THR  55          1HG2      THR  55   1.023   7.886  17.215
  358   3HG2  THR  55          3HG2      THR  55   0.401   9.350  17.977
  359    H    HIS  56           H        HIS  56  -0.544  10.723  13.281
  360    HA   HIS  56           HA       HIS  56  -1.570  13.282  14.313
  361   1HB   HIS  56          2HB       HIS  56   0.028  14.321  13.105
  362   2HB   HIS  56          1HB       HIS  56   0.796  12.754  13.199
  363    HD1  HIS  56           HD1      HIS  56  -1.264  14.871  10.804
  364    HD2  HIS  56           HD2      HIS  56   1.262  11.561  10.729
  365    HE1  HIS  56           HE1      HIS  56  -0.526  14.572   8.393
  366    H    LEU  57           H        LEU  57  -3.214  11.031  13.214
  367    HA   LEU  57           HA       LEU  57  -4.761  12.707  11.316
  368   1HB   LEU  57          2HB       LEU  57  -3.664  10.038  10.808
  369   2HB   LEU  57          1HB       LEU  57  -5.404  10.120  10.561
  370    HG   LEU  57           HG       LEU  57  -4.511  12.465   9.409
  371   1HD1  LEU  57           HD1      LEU  57  -2.247  10.818   9.661
  372   2HD1  LEU  57           HD1      LEU  57  -2.753  10.660   7.979
  373   3HD1  LEU  57           HD1      LEU  57  -2.401  12.254   8.650
  374   1HD2  LEU  57           HD2      LEU  57  -5.994  10.284   8.690
  375   2HD2  LEU  57           HD2      LEU  57  -5.571  11.591   7.586
  376   3HD2  LEU  57           HD2      LEU  57  -4.607  10.115   7.615
  377    H    GLU  58           H        GLU  58  -4.660  10.484  14.022
  378    HA   GLU  58           HA       GLU  58  -7.521   9.967  14.071
  379   1HB   GLU  58          2HB       GLU  58  -6.014   8.435  15.211
  380   2HB   GLU  58          1HB       GLU  58  -5.387   9.745  16.215
  381   1HG   GLU  58          2HG       GLU  58  -7.787  10.084  17.029
  382   2HG   GLU  58          1HG       GLU  58  -8.161   8.543  16.257
  383    H    ASP  59           H        ASP  59  -5.458  12.554  15.121
  384    HA   ASP  59           HA       ASP  59  -6.919  13.715  17.214
  385   1HB   ASP  59          2HB       ASP  59  -4.814  14.502  15.538
  386   2HB   ASP  59          1HB       ASP  59  -6.054  15.735  15.309
  387    H    ARG  60           H        ARG  60  -7.202  14.906  13.850
  388    HA   ARG  60           HA       ARG  60 -10.127  15.269  14.376
  389   1HB   ARG  60          2HB       ARG  60  -8.495  17.335  14.072
  390   2HB   ARG  60          1HB       ARG  60  -8.674  16.943  12.360
  391   1HG   ARG  60          2HG       ARG  60 -10.469  18.386  12.648
  392   2HG   ARG  60          1HG       ARG  60 -11.245  16.838  12.985
  393   1HD   ARG  60          2HD       ARG  60 -11.847  18.426  14.734
  394   2HD   ARG  60          1HD       ARG  60 -10.796  17.186  15.416
  395    HE   ARG  60           HE       ARG  60  -8.991  18.819  15.474
  396   1HH1  ARG  60           HH2      ARG  60 -10.140  20.420  13.098
  397   2HH1  ARG  60           HH2      ARG  60 -10.583  21.892  13.897
  398   1HH2  ARG  60           HH1      ARG  60 -10.379  20.536  17.082
  399   2HH2  ARG  60           HH1      ARG  60 -10.718  21.957  16.152
   
  No H/Q in entry =         399
  Start of MODEL   42
    1   1H    THR  14          3H        THR  14 -11.145  -1.315  13.987
    2   2H    THR  14          2H        THR  14 -11.696  -2.921  14.038
    3   3H    THR  14          1H        THR  14 -10.502  -2.394  15.127
    4    HA   THR  14           HA       THR  14  -9.010  -3.200  13.712
    5    HB   THR  14           HB       THR  14 -10.828  -4.502  12.626
    6    HG1  THR  14           HG1      THR  14  -8.580  -4.201  11.758
    7   1HG2  THR  14          3HG2      THR  14 -11.853  -2.070  11.931
    8   2HG2  THR  14          2HG2      THR  14 -11.097  -2.561  10.415
    9   3HG2  THR  14          1HG2      THR  14 -12.316  -3.590  11.167
   10    H    LEU  15           H        LEU  15  -8.333  -0.848  14.148
   11    HA   LEU  15           HA       LEU  15  -7.357   1.117  13.325
   12   1HB   LEU  15          2HB       LEU  15  -7.626  -0.414  10.719
   13   2HB   LEU  15          1HB       LEU  15  -6.728   1.094  10.897
   14    HG   LEU  15           HG       LEU  15  -5.147  -0.722  11.096
   15   1HD1  LEU  15           HD1      LEU  15  -5.347   1.261  12.895
   16   2HD1  LEU  15           HD1      LEU  15  -5.562  -0.110  13.984
   17   3HD1  LEU  15           HD1      LEU  15  -4.100   0.019  13.006
   18   1HD2  LEU  15           HD2      LEU  15  -7.098  -2.321  11.823
   19   2HD2  LEU  15           HD2      LEU  15  -5.467  -2.630  12.419
   20   3HD2  LEU  15           HD2      LEU  15  -6.648  -1.831  13.457
   21    HA   PRO  16           HA       PRO  16 -10.851   3.518  12.120
   22   1HB   PRO  16          2HB       PRO  16  -9.540   5.915  11.815
   23   2HB   PRO  16          1HB       PRO  16  -9.936   5.209  13.392
   24   1HG   PRO  16          2HG       PRO  16  -7.294   5.372  12.021
   25   2HG   PRO  16          1HG       PRO  16  -7.655   5.261  13.751
   26   1HD   PRO  16          2HD       PRO  16  -6.789   3.133  12.089
   27   2HD   PRO  16          1HD       PRO  16  -7.442   2.980  13.735
   28    H    ARG  17           H        ARG  17 -11.782   4.375  10.199
   29    HA   ARG  17           HA       ARG  17 -10.046   4.260   7.776
   30   1HB   ARG  17          2HB       ARG  17 -12.319   2.734   8.344
   31   2HB   ARG  17          1HB       ARG  17 -12.896   3.988   7.246
   32   1HG   ARG  17          2HG       ARG  17 -12.136   2.155   5.883
   33   2HG   ARG  17          1HG       ARG  17 -10.931   3.437   5.744
   34   1HD   ARG  17          2HD       ARG  17 -10.382   1.681   8.004
   35   2HD   ARG  17          1HD       ARG  17 -10.437   0.792   6.482
   36    HE   ARG  17           HE       ARG  17  -8.474   2.871   7.200
   37   1HH1  ARG  17           HH2      ARG  17 -10.142   2.199   4.403
   38   2HH1  ARG  17           HH2      ARG  17  -8.761   1.755   3.458
   39   1HH2  ARG  17           HH1      ARG  17  -6.590   1.726   6.163
   40   2HH2  ARG  17           HH1      ARG  17  -6.748   1.486   4.455
   41    H    GLY  18           H        GLY  18  -9.903   6.645   8.829
   42   1HA   GLY  18          2HA       GLY  18 -12.165   8.336   7.960
   43   2HA   GLY  18          1HA       GLY  18 -10.740   8.890   8.841
   44    H    SER  19           H        SER  19  -8.620   8.626   7.485
   45    HA   SER  19           HA       SER  19  -9.029   8.913   4.587
   46   1HB   SER  19          2HB       SER  19  -7.500  11.154   5.804
   47   2HB   SER  19          1HB       SER  19  -8.530  11.143   4.376
   48    HG   SER  19           HG       SER  19  -9.416  12.281   6.207
   49    H    ILE  20           H        ILE  20  -7.506   7.220   6.605
   50    HA   ILE  20           HA       ILE  20  -4.730   7.768   6.512
   51    HB   ILE  20           HB       ILE  20  -5.814   4.964   6.266
   52   1HG1  ILE  20          2HG1      ILE  20  -7.294   5.897   7.886
   53   2HG1  ILE  20          1HG1      ILE  20  -6.025   5.110   8.823
   54   1HG2  ILE  20          1HG2      ILE  20  -3.329   5.501   6.389
   55   2HG2  ILE  20          3HG2      ILE  20  -3.624   6.100   8.022
   56   3HG2  ILE  20          2HG2      ILE  20  -3.926   4.406   7.637
   57   1HD1  ILE  20           HD1      ILE  20  -4.847   7.432   8.739
   58   2HD1  ILE  20           HD1      ILE  20  -6.448   8.047   8.323
   59   3HD1  ILE  20           HD1      ILE  20  -6.195   7.211   9.856
   60    H    ASP  21           H        ASP  21  -6.595   5.634   4.360
   61    HA   ASP  21           HA       ASP  21  -4.434   5.330   2.470
   62   1HB   ASP  21          2HB       ASP  21  -7.239   4.485   2.699
   63   2HB   ASP  21          1HB       ASP  21  -6.742   4.813   1.038
   64    H    LYS  22           H        LYS  22  -6.577   7.885   3.114
   65    HA   LYS  22           HA       LYS  22  -6.658   8.924   0.374
   66   1HB   LYS  22          2HB       LYS  22  -8.535   9.444   1.802
   67   2HB   LYS  22          1HB       LYS  22  -7.470  10.102   3.044
   68   1HG   LYS  22          2HG       LYS  22  -6.953  12.007   1.774
   69   2HG   LYS  22          1HG       LYS  22  -7.450  11.248   0.261
   70   1HD   LYS  22          2HD       LYS  22  -9.677  11.273   2.083
   71   2HD   LYS  22          1HD       LYS  22  -9.011  12.901   1.954
   72   1HE   LYS  22          2HE       LYS  22  -9.420  13.035  -0.337
   73   2HE   LYS  22          1HE       LYS  22  -9.417  11.283  -0.541
   74   1HZ   LYS  22          2HZ       LYS  22 -11.457  11.895   1.240
   75   2HZ   LYS  22          1HZ       LYS  22 -11.600  12.994  -0.050
   76   3HZ   LYS  22          3HZ       LYS  22 -11.607  11.324  -0.353
   77    H    TYR  23           H        TYR  23  -4.332   8.834   2.803
   78    HA   TYR  23           HA       TYR  23  -2.841  11.028   1.462
   79   1HB   TYR  23          2HB       TYR  23  -3.411  10.815   4.422
   80   2HB   TYR  23          1HB       TYR  23  -2.044  11.739   3.797
   81    HD1  TYR  23           HD2      TYR  23  -2.755  13.253   1.635
   82    HD2  TYR  23           HD1      TYR  23  -5.344  12.034   4.839
   83    HE1  TYR  23           HE2      TYR  23  -4.267  15.156   1.137
   84    HE2  TYR  23           HE1      TYR  23  -6.854  13.937   4.342
   85    HH   TYR  23           HH       TYR  23  -5.971  16.529   2.411
   86    H    VAL  24           H        VAL  24  -2.513   8.224   1.171
   87    HA   VAL  24           HA       VAL  24   0.120   7.846   2.545
   88    HB   VAL  24           HB       VAL  24  -1.982   5.778   1.839
   89   1HG1  VAL  24          1HG1      VAL  24   0.369   5.034   1.350
   90   2HG1  VAL  24          3HG1      VAL  24   0.768   5.344   3.040
   91   3HG1  VAL  24          2HG1      VAL  24  -0.415   4.103   2.626
   92   1HG2  VAL  24          2HG2      VAL  24  -1.726   7.341   4.089
   93   2HG2  VAL  24          1HG2      VAL  24  -2.494   5.753   4.056
   94   3HG2  VAL  24          3HG2      VAL  24  -0.804   5.906   4.539
   95    H    LYS  25           H        LYS  25   1.724   7.977   1.055
   96    HA   LYS  25           HA       LYS  25   1.091   7.248  -1.765
   97   1HB   LYS  25          2HB       LYS  25   2.106   9.539  -1.062
   98   2HB   LYS  25          1HB       LYS  25   3.608   8.636  -0.863
   99   1HG   LYS  25          2HG       LYS  25   3.593   9.498  -3.114
  100   2HG   LYS  25          1HG       LYS  25   3.285   7.764  -3.217
  101   1HD   LYS  25          2HD       LYS  25   0.875   8.175  -3.401
  102   2HD   LYS  25          1HD       LYS  25   1.143   9.911  -3.230
  103   1HE   LYS  25          2HE       LYS  25   0.859   9.193  -5.612
  104   2HE   LYS  25          1HE       LYS  25   2.410   9.973  -5.303
  105   1HZ   LYS  25          1HZ       LYS  25   2.511   7.158  -4.838
  106   2HZ   LYS  25          3HZ       LYS  25   2.033   7.510  -6.427
  107   3HZ   LYS  25          2HZ       LYS  25   3.498   8.127  -5.825
  108    H    GLU  26           H        GLU  26   1.292   4.939  -1.334
  109    HA   GLU  26           HA       GLU  26   3.823   3.874  -0.339
  110   1HB   GLU  26          2HB       GLU  26   1.775   2.292  -1.886
  111   2HB   GLU  26          1HB       GLU  26   2.836   1.747  -0.586
  112   1HG   GLU  26          2HG       GLU  26   1.533   3.551   0.829
  113   2HG   GLU  26          1HG       GLU  26   0.301   3.342  -0.417
  114    H    MET  27           H        MET  27   5.487   4.531  -1.723
  115    HA   MET  27           HA       MET  27   5.248   4.405  -4.605
  116   1HB   MET  27          2HB       MET  27   7.022   5.567  -2.813
  117   2HB   MET  27          1HB       MET  27   7.980   4.292  -3.565
  118   1HG   MET  27          2HG       MET  27   8.136   6.397  -4.852
  119   2HG   MET  27          1HG       MET  27   7.358   5.127  -5.798
  120   1HE   MET  27          3HE       MET  27   7.435   8.324  -6.020
  121   2HE   MET  27          2HE       MET  27   5.963   9.173  -5.552
  122   3HE   MET  27          1HE       MET  27   7.102   8.649  -4.314
  123    HA   PRO  28           HA       PRO  28   6.005   0.030  -4.842
  124   1HB   PRO  28          2HB       PRO  28   6.102  -0.078  -7.594
  125   2HB   PRO  28          1HB       PRO  28   4.594  -0.020  -6.664
  126   1HG   PRO  28          2HG       PRO  28   5.930   2.152  -8.223
  127   2HG   PRO  28          1HG       PRO  28   4.209   1.916  -7.875
  128   1HD   PRO  28          2HD       PRO  28   5.886   3.744  -6.556
  129   2HD   PRO  28          1HD       PRO  28   4.315   3.175  -5.954
  130    H    ASP  29           H        ASP  29   8.036   2.586  -5.803
  131    HA   ASP  29           HA       ASP  29  10.221   0.850  -6.737
  132   1HB   ASP  29          2HB       ASP  29  11.461   2.927  -7.056
  133   2HB   ASP  29          1HB       ASP  29   9.845   3.116  -7.737
  134    H    LYS  30           H        LYS  30   8.957   1.096  -3.872
  135    HA   LYS  30           HA       LYS  30   9.831   0.472  -1.790
  136   1HB   LYS  30          2HB       LYS  30  12.544   1.242  -2.835
  137   2HB   LYS  30          1HB       LYS  30  12.182   0.194  -1.469
  138   1HG   LYS  30          2HG       LYS  30  10.923  -0.711  -3.951
  139   2HG   LYS  30          1HG       LYS  30  12.682  -0.648  -4.070
  140   1HD   LYS  30          2HD       LYS  30  11.198  -1.983  -1.789
  141   2HD   LYS  30          1HD       LYS  30  11.794  -2.844  -3.209
  142   1HE   LYS  30          2HE       LYS  30  13.718  -1.086  -1.751
  143   2HE   LYS  30          1HE       LYS  30  13.272  -2.615  -0.994
  144   1HZ   LYS  30          1HZ       LYS  30  13.744  -3.088  -3.707
  145   2HZ   LYS  30          3HZ       LYS  30  15.049  -2.183  -3.112
  146   3HZ   LYS  30          2HZ       LYS  30  14.629  -3.654  -2.373
  147    H    THR  31           H        THR  31   8.569   2.697  -1.770
  148    HA   THR  31           HA       THR  31  10.138   4.482  -0.072
  149    HB   THR  31           HB       THR  31   8.865   5.891  -2.356
  150    HG1  THR  31           HG1      THR  31  10.715   5.591  -3.603
  151   1HG2  THR  31          3HG2      THR  31  10.913   6.335  -0.286
  152   2HG2  THR  31          2HG2      THR  31  11.312   7.007  -1.867
  153   3HG2  THR  31          1HG2      THR  31   9.822   7.487  -1.056
  154    H    PHE  32           H        PHE  32   8.627   6.473   0.487
  155    HA   PHE  32           HA       PHE  32   5.756   5.879   0.289
  156   1HB   PHE  32          2HB       PHE  32   7.356   5.381   2.753
  157   2HB   PHE  32          1HB       PHE  32   5.797   6.179   2.967
  158    HD1  PHE  32           HD1      PHE  32   7.489   3.126   1.736
  159    HD2  PHE  32           HD2      PHE  32   3.718   5.025   2.524
  160    HE1  PHE  32           HE1      PHE  32   6.335   0.949   1.459
  161    HE2  PHE  32           HE2      PHE  32   2.564   2.848   2.248
  162    HZ   PHE  32           HZ       PHE  32   3.873   0.810   1.715
  163    H    GLU  33           H        GLU  33   4.478   7.731   0.895
  164    HA   GLU  33           HA       GLU  33   5.892  10.123   1.874
  165   1HB   GLU  33          2HB       GLU  33   5.609   9.679  -0.896
  166   2HB   GLU  33          1HB       GLU  33   4.386  10.879  -0.475
  167   1HG   GLU  33          2HG       GLU  33   5.948  12.443   0.188
  168   2HG   GLU  33          1HG       GLU  33   7.118  11.219   0.682
  169    H    CYS  34           H        CYS  34   4.493  10.527   3.537
  170    HA   CYS  34           HA       CYS  34   1.668  10.028   3.479
  171   1HB   CYS  34          2HB       CYS  34   3.121  10.341   5.534
  172   2HB   CYS  34          1HB       CYS  34   3.132  12.066   5.181
  173    H    LEU  35           H        LEU  35   0.360  11.056   2.022
  174    HA   LEU  35           HA       LEU  35   1.033  13.674   0.940
  175   1HB   LEU  35          2HB       LEU  35  -1.553  12.119   0.666
  176   2HB   LEU  35          1HB       LEU  35  -1.001  13.437  -0.368
  177    HG   LEU  35           HG       LEU  35   1.044  11.403  -0.175
  178   1HD1  LEU  35           HD1      LEU  35  -1.769  10.520  -0.677
  179   2HD1  LEU  35           HD1      LEU  35  -0.495   9.824  -1.676
  180   3HD1  LEU  35           HD1      LEU  35  -0.438   9.644   0.076
  181   1HD2  LEU  35           HD2      LEU  35   0.140  13.266  -1.986
  182   2HD2  LEU  35           HD2      LEU  35   1.287  11.980  -2.363
  183   3HD2  LEU  35           HD2      LEU  35  -0.428  11.759  -2.706
  184    H    PHE  36           H        PHE  36  -0.029  13.014   3.927
  185    HA   PHE  36           HA       PHE  36  -2.366  14.648   4.209
  186   1HB   PHE  36          2HB       PHE  36  -1.520  13.027   5.935
  187   2HB   PHE  36          1HB       PHE  36  -0.210  14.154   6.285
  188    HD1  PHE  36           HD2      PHE  36  -0.916  16.616   6.839
  189    HD2  PHE  36           HD1      PHE  36  -3.563  13.240   7.058
  190    HE1  PHE  36           HE2      PHE  36  -2.420  17.891   8.345
  191    HE2  PHE  36           HE1      PHE  36  -5.066  14.515   8.563
  192    HZ   PHE  36           HZ       PHE  36  -4.494  16.841   9.206
  193    HA   PRO  37           HA       PRO  37  -0.487  18.603   3.686
  194   1HB   PRO  37          2HB       PRO  37  -2.552  20.103   4.721
  195   2HB   PRO  37          1HB       PRO  37  -2.567  19.395   3.095
  196   1HG   PRO  37          2HG       PRO  37  -4.017  18.500   5.550
  197   2HG   PRO  37          1HG       PRO  37  -4.467  18.306   3.848
  198   1HD   PRO  37          2HD       PRO  37  -3.355  16.294   5.469
  199   2HD   PRO  37          1HD       PRO  37  -3.416  16.268   3.694
  200    H    GLY  38           H        GLY  38   1.149  19.190   5.027
  201   1HA   GLY  38          2HA       GLY  38   1.784  20.535   7.003
  202   2HA   GLY  38          1HA       GLY  38   0.502  19.712   7.897
  203    H    CYS  39           H        CYS  39   1.418  17.196   6.306
  204    HA   CYS  39           HA       CYS  39   3.031  16.078   8.402
  205   1HB   CYS  39          2HB       CYS  39   1.533  14.849   6.708
  206   2HB   CYS  39          1HB       CYS  39   2.881  15.005   5.581
  207    H    THR  40           H        THR  40   5.245  15.127   7.990
  208    HA   THR  40           HA       THR  40   6.889  16.387   5.927
  209    HB   THR  40           HB       THR  40   6.711  18.164   7.697
  210    HG1  THR  40           HG1      THR  40   9.127  18.150   8.024
  211   1HG2  THR  40          1HG2      THR  40   6.766  16.136   9.476
  212   2HG2  THR  40          3HG2      THR  40   8.473  16.579   9.488
  213   3HG2  THR  40          2HG2      THR  40   7.248  17.782   9.890
  214    H    LYS  41           H        LYS  41   6.169  13.687   6.926
  215    HA   LYS  41           HA       LYS  41   8.949  12.726   7.449
  216   1HB   LYS  41          2HB       LYS  41   6.378  11.889   8.805
  217   2HB   LYS  41          1HB       LYS  41   7.813  10.863   8.805
  218   1HG   LYS  41          2HG       LYS  41   9.070  12.398  10.062
  219   2HG   LYS  41          1HG       LYS  41   8.003  13.745   9.658
  220   1HD   LYS  41          2HD       LYS  41   7.756  12.835  12.022
  221   2HD   LYS  41          1HD       LYS  41   6.265  12.911  11.083
  222   1HE   LYS  41          2HE       LYS  41   6.159  10.608  10.805
  223   2HE   LYS  41          1HE       LYS  41   7.902  10.403  10.980
  224   1HZ   LYS  41          3HZ       LYS  41   6.506  11.468  13.292
  225   2HZ   LYS  41          2HZ       LYS  41   6.164   9.850  12.907
  226   3HZ   LYS  41          1HZ       LYS  41   7.764  10.335  13.210
  227    H    THR  42           H        THR  42   9.573  11.299   5.904
  228    HA   THR  42           HA       THR  42   7.434   9.951   4.302
  229    HB   THR  42           HB       THR  42   8.823  10.056   2.426
  230    HG1  THR  42           HG1      THR  42  10.857   9.639   2.628
  231   1HG2  THR  42          3HG2      THR  42   8.441  12.394   3.919
  232   2HG2  THR  42          2HG2      THR  42  10.122  12.465   3.391
  233   3HG2  THR  42          1HG2      THR  42   8.830  12.295   2.202
  234    H    PHE  43           H        PHE  43   8.280   7.771   3.373
  235    HA   PHE  43           HA       PHE  43  10.158   6.397   5.203
  236   1HB   PHE  43          2HB       PHE  43   7.501   5.092   4.688
  237   2HB   PHE  43          1HB       PHE  43   8.646   4.806   5.999
  238    HD1  PHE  43           HD1      PHE  43   6.398   7.458   4.597
  239    HD2  PHE  43           HD2      PHE  43   8.326   5.840   8.080
  240    HE1  PHE  43           HE1      PHE  43   5.170   9.070   6.026
  241    HE2  PHE  43           HE2      PHE  43   7.095   7.452   9.508
  242    HZ   PHE  43           HZ       PHE  43   5.518   9.066   8.482
  243    H    LYS  44           H        LYS  44   9.669   3.789   4.332
  244    HA   LYS  44           HA       LYS  44   9.463   3.659   1.442
  245   1HB   LYS  44          2HB       LYS  44  11.804   3.032   0.994
  246   2HB   LYS  44          1HB       LYS  44  11.714   4.670   1.644
  247   1HG   LYS  44          2HG       LYS  44  11.888   2.992   3.895
  248   2HG   LYS  44          1HG       LYS  44  13.057   2.347   2.740
  249   1HD   LYS  44          2HD       LYS  44  14.134   4.501   2.527
  250   2HD   LYS  44          1HD       LYS  44  12.875   5.278   3.488
  251   1HE   LYS  44          2HE       LYS  44  13.616   3.413   5.259
  252   2HE   LYS  44          1HE       LYS  44  15.135   3.539   4.370
  253   1HZ   LYS  44          3HZ       LYS  44  13.971   6.091   4.942
  254   2HZ   LYS  44          2HZ       LYS  44  14.301   5.204   6.353
  255   3HZ   LYS  44          1HZ       LYS  44  15.543   5.529   5.240
  256    H    ARG  45           H        ARG  45   8.784   1.621   0.982
  257    HA   ARG  45           HA       ARG  45   8.133  -0.602   1.419
  258   1HB   ARG  45          2HB       ARG  45  10.995  -0.356   1.421
  259   2HB   ARG  45          1HB       ARG  45  10.528  -1.582   2.599
  260   1HG   ARG  45          2HG       ARG  45   9.195  -1.604  -0.081
  261   2HG   ARG  45          1HG       ARG  45  10.845  -2.216   0.041
  262   1HD   ARG  45          2HD       ARG  45   9.083  -3.174   2.187
  263   2HD   ARG  45          1HD       ARG  45   8.572  -3.685   0.578
  264    HE   ARG  45           HE       ARG  45  11.409  -4.103   1.379
  265   1HH1  ARG  45           HH2      ARG  45   9.503  -5.126  -0.982
  266   2HH1  ARG  45           HH2      ARG  45   9.486  -6.811  -0.582
  267   1HH2  ARG  45           HH1      ARG  45  10.867  -6.349   2.566
  268   2HH2  ARG  45           HH1      ARG  45  10.258  -7.503   1.428
  269    H    ARG  46           H        ARG  46   7.542   1.250   3.567
  270    HA   ARG  46           HA       ARG  46   7.553  -0.702   5.812
  271   1HB   ARG  46          2HB       ARG  46   9.038   1.770   5.734
  272   2HB   ARG  46          1HB       ARG  46   7.795   1.862   6.982
  273   1HG   ARG  46          2HG       ARG  46   9.154   0.642   8.302
  274   2HG   ARG  46          1HG       ARG  46   8.859  -0.722   7.222
  275   1HD   ARG  46          2HD       ARG  46  10.771   0.934   5.937
  276   2HD   ARG  46          1HD       ARG  46  11.295   0.761   7.612
  277    HE   ARG  46           HE       ARG  46  10.529  -1.805   6.598
  278   1HH1  ARG  46           HH2      ARG  46  13.052  -1.357   8.094
  279   2HH1  ARG  46           HH2      ARG  46  14.261  -1.572   6.873
  280   1HH2  ARG  46           HH1      ARG  46  12.038  -1.224   4.235
  281   2HH2  ARG  46           HH1      ARG  46  13.687  -1.496   4.689
  282    H    TYR  47           H        TYR  47   5.828  -0.265   7.379
  283    HA   TYR  47           HA       TYR  47   3.602   1.333   6.191
  284   1HB   TYR  47          2HB       TYR  47   2.590  -0.462   8.152
  285   2HB   TYR  47          1HB       TYR  47   2.326  -0.519   6.411
  286    HD1  TYR  47           HD1      TYR  47   4.352  -1.793   9.210
  287    HD2  TYR  47           HD2      TYR  47   3.647  -1.980   4.980
  288    HE1  TYR  47           HE1      TYR  47   5.728  -3.854   9.073
  289    HE2  TYR  47           HE2      TYR  47   5.024  -4.040   4.839
  290    HH   TYR  47           HH       TYR  47   6.716  -5.313   7.694
  291    H    ASN  48           H        ASN  48   5.840   2.017   8.166
  292    HA   ASN  48           HA       ASN  48   4.639   2.312  10.747
  293   1HB   ASN  48          2HB       ASN  48   6.999   3.543   9.358
  294   2HB   ASN  48          1HB       ASN  48   6.447   4.227  10.888
  295   1HD2  ASN  48           HD2      ASN  48   7.720   0.307  10.957
  296   2HD2  ASN  48           HD2      ASN  48   6.913   0.885   9.580
  297    H    ILE  49           H        ILE  49   3.877   3.823   7.846
  298    HA   ILE  49           HA       ILE  49   3.168   6.411   9.011
  299    HB   ILE  49           HB       ILE  49   2.027   5.511   6.404
  300   1HG1  ILE  49          2HG1      ILE  49   4.374   6.511   5.569
  301   2HG1  ILE  49          1HG1      ILE  49   4.911   5.762   7.075
  302   1HG2  ILE  49          3HG2      ILE  49   3.080   8.062   7.626
  303   2HG2  ILE  49          2HG2      ILE  49   2.810   7.922   5.889
  304   3HG2  ILE  49          1HG2      ILE  49   1.462   7.727   7.009
  305   1HD1  ILE  49           HD1      ILE  49   3.254   3.835   6.058
  306   2HD1  ILE  49           HD1      ILE  49   3.968   4.501   4.589
  307   3HD1  ILE  49           HD1      ILE  49   5.006   3.850   5.860
  308    H    ARG  50           H        ARG  50   1.349   3.619   7.691
  309    HA   ARG  50           HA       ARG  50  -1.196   4.592   8.326
  310   1HB   ARG  50          2HB       ARG  50  -0.220   1.729   8.669
  311   2HB   ARG  50          1HB       ARG  50  -1.912   2.221   8.589
  312   1HG   ARG  50          2HG       ARG  50  -1.855   2.286   6.338
  313   2HG   ARG  50          1HG       ARG  50  -0.425   3.318   6.355
  314   1HD   ARG  50          2HD       ARG  50   1.048   1.504   6.308
  315   2HD   ARG  50          1HD       ARG  50  -0.150   0.388   6.963
  316    HE   ARG  50           HE       ARG  50  -0.276   1.448   4.167
  317   1HH1  ARG  50           HH2      ARG  50  -2.600  -0.036   5.561
  318   2HH1  ARG  50           HH2      ARG  50  -2.389  -1.628   4.911
  319   1HH2  ARG  50           HH1      ARG  50   0.821  -1.017   3.752
  320   2HH2  ARG  50           HH1      ARG  50  -0.453  -2.182   3.886
  321    H    SER  51           H        SER  51   1.355   3.641  10.455
  322    HA   SER  51           HA       SER  51  -0.483   3.641  12.779
  323   1HB   SER  51          2HB       SER  51   1.568   2.053  12.464
  324   2HB   SER  51          1HB       SER  51   2.530   3.461  12.904
  325    HG   SER  51           HG       SER  51   2.043   2.368  14.777
  326    H    HIS  52           H        HIS  52   1.984   5.548  11.185
  327    HA   HIS  52           HA       HIS  52   2.142   7.554  13.270
  328   1HB   HIS  52          2HB       HIS  52   4.049   7.892  12.089
  329   2HB   HIS  52          1HB       HIS  52   3.425   7.004  10.709
  330    HD1  HIS  52           HD1      HIS  52   4.128  10.393  11.926
  331    HD2  HIS  52           HD2      HIS  52   1.822   8.704   8.886
  332    HE1  HIS  52           HE1      HIS  52   3.446  12.295  10.405
  333    H    ILE  53           H        ILE  53   0.601   7.547  10.017
  334    HA   ILE  53           HA       ILE  53  -0.678  10.077  10.448
  335    HB   ILE  53           HB       ILE  53  -2.367   9.006   8.692
  336   1HG1  ILE  53          2HG1      ILE  53   0.116   7.348   8.234
  337   2HG1  ILE  53          1HG1      ILE  53  -1.294   6.711   9.085
  338   1HG2  ILE  53          3HG2      ILE  53  -0.570  10.810   8.454
  339   2HG2  ILE  53          2HG2      ILE  53   0.484   9.521   7.875
  340   3HG2  ILE  53          1HG2      ILE  53  -0.995   9.913   6.997
  341   1HD1  ILE  53           HD1      ILE  53  -2.681   7.421   7.089
  342   2HD1  ILE  53           HD1      ILE  53  -1.168   7.756   6.249
  343   3HD1  ILE  53           HD1      ILE  53  -1.542   6.112   6.770
  344    H    GLN  54           H        GLN  54  -1.230   7.021  11.818
  345    HA   GLN  54           HA       GLN  54  -4.092   7.296  12.137
  346   1HB   GLN  54          2HB       GLN  54  -2.149   5.333  12.790
  347   2HB   GLN  54          1HB       GLN  54  -2.931   5.790  14.305
  348   1HG   GLN  54          2HG       GLN  54  -4.374   4.129  13.520
  349   2HG   GLN  54          1HG       GLN  54  -5.144   5.590  12.900
  350   1HE2  GLN  54          2HE2      GLN  54  -3.645   4.939   9.544
  351   2HE2  GLN  54          1HE2      GLN  54  -3.595   6.211  10.665
  352    H    THR  55           H        THR  55  -1.316   8.573  13.838
  353    HA   THR  55           HA       THR  55  -3.105   9.499  16.002
  354    HB   THR  55           HB       THR  55  -0.107   9.648  15.612
  355    HG1  THR  55           HG1      THR  55  -0.172   7.948  16.815
  356   1HG2  THR  55          3HG2      THR  55  -1.918  11.134  17.454
  357   2HG2  THR  55          2HG2      THR  55  -0.415  10.505  18.130
  358   3HG2  THR  55          1HG2      THR  55  -0.369  11.621  16.764
  359    H    HIS  56           H        HIS  56  -1.068  10.800  13.413
  360    HA   HIS  56           HA       HIS  56  -2.195  13.476  13.959
  361   1HB   HIS  56          2HB       HIS  56  -0.221  14.271  13.257
  362   2HB   HIS  56          1HB       HIS  56   0.352  12.615  13.242
  363    HD1  HIS  56           HD1      HIS  56  -1.124  15.234  10.915
  364    HD2  HIS  56           HD2      HIS  56   0.906  11.606  10.688
  365    HE1  HIS  56           HE1      HIS  56  -0.263  15.036   8.537
  366    H    LEU  57           H        LEU  57  -3.343  10.921  12.491
  367    HA   LEU  57           HA       LEU  57  -4.895  12.510  10.611
  368   1HB   LEU  57          2HB       LEU  57  -3.041  12.212   9.153
  369   2HB   LEU  57          1HB       LEU  57  -2.825  10.537   9.623
  370    HG   LEU  57           HG       LEU  57  -4.821   9.868   8.467
  371   1HD1  LEU  57           HD1      LEU  57  -5.466  12.694   8.811
  372   2HD1  LEU  57           HD1      LEU  57  -5.771  12.145   7.163
  373   3HD1  LEU  57           HD1      LEU  57  -6.547  11.329   8.522
  374   1HD2  LEU  57           HD2      LEU  57  -2.774  11.495   7.121
  375   2HD2  LEU  57           HD2      LEU  57  -3.396   9.900   6.699
  376   3HD2  LEU  57           HD2      LEU  57  -4.273  11.347   6.205
  377    H    GLU  58           H        GLU  58  -4.966  10.385  12.943
  378    HA   GLU  58           HA       GLU  58  -6.090   7.970  12.268
  379   1HB   GLU  58          2HB       GLU  58  -7.937   8.800  14.139
  380   2HB   GLU  58          1HB       GLU  58  -6.366   8.109  14.520
  381   1HG   GLU  58          2HG       GLU  58  -5.411  10.196  14.966
  382   2HG   GLU  58          1HG       GLU  58  -6.601  11.059  13.991
  383    H    ASP  59           H        ASP  59  -7.804  11.095  12.149
  384    HA   ASP  59           HA       ASP  59  -9.361  10.383   9.874
  385   1HB   ASP  59          2HB       ASP  59 -10.528   8.799  11.260
  386   2HB   ASP  59          1HB       ASP  59 -10.708   9.981  12.557
  387    H    ARG  60           H        ARG  60  -8.244  12.634   9.906
  388    HA   ARG  60           HA       ARG  60  -9.351  14.761  11.476
  389   1HB   ARG  60          2HB       ARG  60  -7.285  14.536   9.664
  390   2HB   ARG  60          1HB       ARG  60  -8.456  15.510   8.775
  391   1HG   ARG  60          2HG       ARG  60  -8.209  16.346  11.565
  392   2HG   ARG  60          1HG       ARG  60  -6.680  16.459  10.692
  393   1HD   ARG  60          2HD       ARG  60  -7.729  17.802   8.946
  394   2HD   ARG  60          1HD       ARG  60  -9.306  17.614   9.712
  395    HE   ARG  60           HE       ARG  60  -8.696  19.468  11.016
  396   1HH1  ARG  60           HH2      ARG  60  -5.886  18.221   9.587
  397   2HH1  ARG  60           HH2      ARG  60  -4.799  18.890  10.758
  398   1HH2  ARG  60           HH1      ARG  60  -7.327  20.050  12.831
  399   2HH2  ARG  60           HH1      ARG  60  -5.615  19.924  12.596
   
  No H/Q in entry =         399
  Start of MODEL   43
    1   1H    THR  14          3H        THR  14 -17.562   6.027  12.521
    2   2H    THR  14          2H        THR  14 -18.921   6.086  13.538
    3   3H    THR  14          1H        THR  14 -17.454   5.447  14.112
    4    HA   THR  14           HA       THR  14 -18.668   3.548  13.671
    5    HB   THR  14           HB       THR  14 -19.863   3.410  11.365
    6    HG1  THR  14           HG1      THR  14 -19.969   6.200  11.652
    7   1HG2  THR  14          2HG2      THR  14 -20.666   4.256  13.921
    8   2HG2  THR  14          1HG2      THR  14 -21.399   5.405  12.800
    9   3HG2  THR  14          3HG2      THR  14 -21.710   3.677  12.622
   10    H    LEU  15           H        LEU  15 -16.046   3.745  13.442
   11    HA   LEU  15           HA       LEU  15 -14.177   2.828  12.357
   12   1HB   LEU  15          2HB       LEU  15 -16.265   1.104  11.846
   13   2HB   LEU  15          1HB       LEU  15 -15.710   1.503  10.220
   14    HG   LEU  15           HG       LEU  15 -14.509  -0.463  11.130
   15   1HD1  LEU  15           HD1      LEU  15 -13.440   1.711   9.826
   16   2HD1  LEU  15           HD1      LEU  15 -12.352   1.540  11.203
   17   3HD1  LEU  15           HD1      LEU  15 -12.594   0.188  10.098
   18   1HD2  LEU  15           HD2      LEU  15 -14.678   0.668  13.535
   19   2HD2  LEU  15           HD2      LEU  15 -13.354  -0.429  13.143
   20   3HD2  LEU  15           HD2      LEU  15 -13.101   1.316  13.087
   21    HA   PRO  16           HA       PRO  16 -14.824   5.963   8.969
   22   1HB   PRO  16          2HB       PRO  16 -13.293   7.946  10.102
   23   2HB   PRO  16          1HB       PRO  16 -15.038   7.785  10.369
   24   1HG   PRO  16          2HG       PRO  16 -12.789   7.133  12.216
   25   2HG   PRO  16          1HG       PRO  16 -14.457   7.594  12.598
   26   1HD   PRO  16          2HD       PRO  16 -13.407   4.967  12.668
   27   2HD   PRO  16          1HD       PRO  16 -15.129   5.404  12.715
   28    H    ARG  17           H        ARG  17 -13.365   5.832   7.285
   29    HA   ARG  17           HA       ARG  17 -10.476   5.785   7.843
   30   1HB   ARG  17          2HB       ARG  17 -11.909   3.371   7.491
   31   2HB   ARG  17          1HB       ARG  17 -11.035   3.650   5.985
   32   1HG   ARG  17          2HG       ARG  17  -9.512   2.459   7.375
   33   2HG   ARG  17          1HG       ARG  17  -8.985   4.141   7.444
   34   1HD   ARG  17          2HD       ARG  17 -11.009   3.501   9.464
   35   2HD   ARG  17          1HD       ARG  17  -9.538   2.543   9.639
   36    HE   ARG  17           HE       ARG  17  -9.379   5.517   9.418
   37   1HH1  ARG  17           HH2      ARG  17  -7.104   3.419   9.870
   38   2HH1  ARG  17           HH2      ARG  17  -6.778   3.698  11.548
   39   1HH2  ARG  17           HH1      ARG  17  -9.689   5.503  12.087
   40   2HH2  ARG  17           HH1      ARG  17  -8.242   4.878  12.803
   41    H    GLY  18           H        GLY  18 -11.026   7.878   6.674
   42   1HA   GLY  18          2HA       GLY  18 -10.826   7.404   3.733
   43   2HA   GLY  18          1HA       GLY  18 -11.935   8.628   4.359
   44    H    SER  19           H        SER  19  -9.037   8.225   6.147
   45    HA   SER  19           HA       SER  19  -7.857  10.605   4.801
   46   1HB   SER  19          2HB       SER  19  -6.963  11.084   7.205
   47   2HB   SER  19          1HB       SER  19  -8.630  11.506   6.823
   48    HG   SER  19           HG       SER  19  -9.299   9.614   7.808
   49    H    ILE  20           H        ILE  20  -7.233   7.741   6.795
   50    HA   ILE  20           HA       ILE  20  -4.387   7.830   6.670
   51    HB   ILE  20           HB       ILE  20  -5.926   5.241   6.645
   52   1HG1  ILE  20          2HG1      ILE  20  -7.207   6.525   8.200
   53   2HG1  ILE  20          1HG1      ILE  20  -6.072   5.598   9.183
   54   1HG2  ILE  20          1HG2      ILE  20  -3.341   5.518   6.743
   55   2HG2  ILE  20          3HG2      ILE  20  -3.616   6.044   8.403
   56   3HG2  ILE  20          2HG2      ILE  20  -4.109   4.428   7.897
   57   1HD1  ILE  20           HD1      ILE  20  -4.552   7.762   8.775
   58   2HD1  ILE  20           HD1      ILE  20  -6.133   8.524   8.608
   59   3HD1  ILE  20           HD1      ILE  20  -5.713   7.680  10.099
   60    H    ASP  21           H        ASP  21  -6.617   5.833   4.743
   61    HA   ASP  21           HA       ASP  21  -4.569   5.103   2.835
   62   1HB   ASP  21          2HB       ASP  21  -7.585   4.994   2.521
   63   2HB   ASP  21          1HB       ASP  21  -6.402   4.119   1.546
   64    H    LYS  22           H        LYS  22  -6.423   7.916   3.287
   65    HA   LYS  22           HA       LYS  22  -6.254   8.694   0.433
   66   1HB   LYS  22          2HB       LYS  22  -8.243   9.168   2.113
   67   2HB   LYS  22          1HB       LYS  22  -7.233  10.535   2.588
   68   1HG   LYS  22          2HG       LYS  22  -7.116  10.618  -0.176
   69   2HG   LYS  22          1HG       LYS  22  -8.783  10.133   0.134
   70   1HD   LYS  22          2HD       LYS  22  -7.534  12.409   1.665
   71   2HD   LYS  22          1HD       LYS  22  -8.245  12.674   0.072
   72   1HE   LYS  22          2HE       LYS  22 -10.319  12.650   0.944
   73   2HE   LYS  22          1HE       LYS  22 -10.029  11.069   1.671
   74   1HZ   LYS  22          3HZ       LYS  22  -8.875  12.217   3.501
   75   2HZ   LYS  22          2HZ       LYS  22  -9.317  13.711   2.822
   76   3HZ   LYS  22          1HZ       LYS  22 -10.512  12.643   3.387
   77    H    TYR  23           H        TYR  23  -4.129   8.607   2.906
   78    HA   TYR  23           HA       TYR  23  -2.678  10.968   1.835
   79   1HB   TYR  23          2HB       TYR  23  -3.292  10.438   4.747
   80   2HB   TYR  23          1HB       TYR  23  -1.980  11.500   4.232
   81    HD1  TYR  23           HD2      TYR  23  -3.106  12.791   1.847
   82    HD2  TYR  23           HD1      TYR  23  -4.961  11.866   5.608
   83    HE1  TYR  23           HE2      TYR  23  -4.730  14.632   1.499
   84    HE2  TYR  23           HE1      TYR  23  -6.585  13.705   5.261
   85    HH   TYR  23           HH       TYR  23  -6.898  15.669   4.023
   86    H    VAL  24           H        VAL  24  -2.238   8.237   1.256
   87    HA   VAL  24           HA       VAL  24   0.461   7.911   2.468
   88    HB   VAL  24           HB       VAL  24  -1.684   5.784   2.247
   89   1HG1  VAL  24          3HG1      VAL  24   1.308   5.589   2.493
   90   2HG1  VAL  24          2HG1      VAL  24   0.282   4.372   3.251
   91   3HG1  VAL  24          1HG1      VAL  24   0.211   4.623   1.507
   92   1HG2  VAL  24          1HG2      VAL  24  -0.005   6.817   4.558
   93   2HG2  VAL  24          3HG2      VAL  24  -1.713   7.167   4.291
   94   3HG2  VAL  24          2HG2      VAL  24  -1.197   5.521   4.661
   95    H    LYS  25           H        LYS  25   1.781   8.112   0.721
   96    HA   LYS  25           HA       LYS  25   0.883   6.917  -1.864
   97   1HB   LYS  25          2HB       LYS  25   1.751   9.445  -1.417
   98   2HB   LYS  25          1HB       LYS  25   3.289   8.658  -1.783
   99   1HG   LYS  25          2HG       LYS  25   0.800   8.636  -3.515
  100   2HG   LYS  25          1HG       LYS  25   2.305   9.492  -3.853
  101   1HD   LYS  25          2HD       LYS  25   3.456   7.206  -3.734
  102   2HD   LYS  25          1HD       LYS  25   1.837   6.508  -3.796
  103   1HE   LYS  25          2HE       LYS  25   2.426   6.573  -6.060
  104   2HE   LYS  25          1HE       LYS  25   1.523   8.075  -5.869
  105   1HZ   LYS  25          2HZ       LYS  25   3.859   9.009  -5.271
  106   2HZ   LYS  25          1HZ       LYS  25   4.415   7.667  -6.153
  107   3HZ   LYS  25          3HZ       LYS  25   3.412   8.813  -6.898
  108    H    GLU  26           H        GLU  26   1.587   4.780  -1.646
  109    HA   GLU  26           HA       GLU  26   4.326   4.237  -0.707
  110   1HB   GLU  26          2HB       GLU  26   3.730   1.917  -0.845
  111   2HB   GLU  26          1HB       GLU  26   2.320   2.753  -0.195
  112   1HG   GLU  26          2HG       GLU  26   1.242   1.588  -1.848
  113   2HG   GLU  26          1HG       GLU  26   1.774   2.955  -2.831
  114    H    MET  27           H        MET  27   6.018   4.304  -2.097
  115    HA   MET  27           HA       MET  27   5.510   4.304  -5.004
  116   1HB   MET  27          2HB       MET  27   7.272   5.695  -3.451
  117   2HB   MET  27          1HB       MET  27   8.299   4.380  -4.022
  118   1HG   MET  27          2HG       MET  27   8.088   5.001  -6.252
  119   2HG   MET  27          1HG       MET  27   6.538   5.801  -5.989
  120   1HE   MET  27          1HE       MET  27   6.066   7.593  -4.863
  121   2HE   MET  27          3HE       MET  27   7.135   8.309  -3.648
  122   3HE   MET  27          2HE       MET  27   6.906   9.104  -5.203
  123    HA   PRO  28           HA       PRO  28   6.524   0.057  -5.492
  124   1HB   PRO  28          2HB       PRO  28   7.203   0.142  -8.163
  125   2HB   PRO  28          1HB       PRO  28   5.535   0.154  -7.566
  126   1HG   PRO  28          2HG       PRO  28   7.168   2.420  -8.634
  127   2HG   PRO  28          1HG       PRO  28   5.414   2.174  -8.694
  128   1HD   PRO  28          2HD       PRO  28   6.724   3.892  -6.913
  129   2HD   PRO  28          1HD       PRO  28   5.080   3.257  -6.689
  130    H    ASP  29           H        ASP  29   8.747   2.613  -5.784
  131    HA   ASP  29           HA       ASP  29  11.043   0.829  -6.303
  132   1HB   ASP  29          2HB       ASP  29  12.369   2.815  -6.456
  133   2HB   ASP  29          1HB       ASP  29  10.858   3.183  -7.286
  134    H    LYS  30           H        LYS  30   9.234   0.872  -3.838
  135    HA   LYS  30           HA       LYS  30   9.547   0.358  -1.589
  136   1HB   LYS  30          2HB       LYS  30  12.479   0.712  -2.247
  137   2HB   LYS  30          1HB       LYS  30  11.851   0.063  -0.738
  138   1HG   LYS  30          2HG       LYS  30  12.015  -1.953  -1.766
  139   2HG   LYS  30          1HG       LYS  30  10.541  -1.469  -2.605
  140   1HD   LYS  30          2HD       LYS  30  11.707  -0.793  -4.531
  141   2HD   LYS  30          1HD       LYS  30  13.237  -0.649  -3.666
  142   1HE   LYS  30          2HE       LYS  30  13.202  -2.670  -5.090
  143   2HE   LYS  30          1HE       LYS  30  13.320  -3.094  -3.383
  144   1HZ   LYS  30          3HZ       LYS  30  10.617  -2.879  -4.007
  145   2HZ   LYS  30          2HZ       LYS  30  11.331  -3.814  -5.234
  146   3HZ   LYS  30          1HZ       LYS  30  11.483  -4.281  -3.607
  147    H    THR  31           H        THR  31   8.592   2.744  -1.963
  148    HA   THR  31           HA       THR  31  10.103   4.442  -0.064
  149    HB   THR  31           HB       THR  31   8.846   5.707  -2.462
  150    HG1  THR  31           HG1      THR  31  11.467   4.654  -2.273
  151   1HG2  THR  31          2HG2      THR  31  10.419   6.510  -0.176
  152   2HG2  THR  31          1HG2      THR  31  11.242   6.953  -1.672
  153   3HG2  THR  31          3HG2      THR  31   9.601   7.521  -1.368
  154    H    PHE  32           H        PHE  32   8.543   6.519   0.317
  155    HA   PHE  32           HA       PHE  32   5.696   5.911   0.177
  156   1HB   PHE  32          2HB       PHE  32   7.264   5.183   2.553
  157   2HB   PHE  32          1HB       PHE  32   5.884   6.221   2.915
  158    HD1  PHE  32           HD2      PHE  32   3.584   5.511   2.350
  159    HD2  PHE  32           HD1      PHE  32   6.958   2.939   1.691
  160    HE1  PHE  32           HE2      PHE  32   2.058   3.575   2.081
  161    HE2  PHE  32           HE1      PHE  32   5.433   1.002   1.425
  162    HZ   PHE  32           HZ       PHE  32   2.982   1.322   1.619
  163    H    GLU  33           H        GLU  33   4.445   7.775   0.685
  164    HA   GLU  33           HA       GLU  33   5.867  10.143   1.749
  165   1HB   GLU  33          2HB       GLU  33   5.460   9.728  -1.041
  166   2HB   GLU  33          1HB       GLU  33   4.363  11.012  -0.530
  167   1HG   GLU  33          2HG       GLU  33   6.378  12.032   0.690
  168   2HG   GLU  33          1HG       GLU  33   7.369  10.907  -0.240
  169    H    CYS  34           H        CYS  34   4.464  10.319   3.480
  170    HA   CYS  34           HA       CYS  34   1.665   9.883   3.478
  171   1HB   CYS  34          2HB       CYS  34   3.227  10.276   5.467
  172   2HB   CYS  34          1HB       CYS  34   3.084  11.996   5.118
  173    H    LEU  35           H        LEU  35   0.231  10.898   2.134
  174    HA   LEU  35           HA       LEU  35   0.848  13.560   1.058
  175   1HB   LEU  35          2HB       LEU  35  -1.705  11.996   0.655
  176   2HB   LEU  35          1HB       LEU  35  -1.016  13.235  -0.391
  177    HG   LEU  35           HG       LEU  35   1.032  11.387  -0.206
  178   1HD1  LEU  35           HD1      LEU  35  -1.541  10.076   0.323
  179   2HD1  LEU  35           HD1      LEU  35  -0.680   9.385  -1.053
  180   3HD1  LEU  35           HD1      LEU  35   0.098   9.457   0.528
  181   1HD2  LEU  35           HD2      LEU  35  -1.170  11.855  -2.220
  182   2HD2  LEU  35           HD2      LEU  35   0.504  12.405  -2.281
  183   3HD2  LEU  35           HD2      LEU  35   0.127  10.700  -2.531
  184    H    PHE  36           H        PHE  36  -0.270  12.723   3.989
  185    HA   PHE  36           HA       PHE  36  -2.708  14.187   4.278
  186   1HB   PHE  36          2HB       PHE  36  -1.747  12.634   5.999
  187   2HB   PHE  36          1HB       PHE  36  -0.516  13.849   6.348
  188    HD1  PHE  36           HD2      PHE  36  -1.337  16.223   6.988
  189    HD2  PHE  36           HD1      PHE  36  -3.841  12.736   7.056
  190    HE1  PHE  36           HE2      PHE  36  -2.915  17.386   8.507
  191    HE2  PHE  36           HE1      PHE  36  -5.417  13.895   8.579
  192    HZ   PHE  36           HZ       PHE  36  -4.956  16.222   9.303
  193    HA   PRO  37           HA       PRO  37  -1.165  18.290   3.799
  194   1HB   PRO  37          2HB       PRO  37  -3.328  19.611   4.881
  195   2HB   PRO  37          1HB       PRO  37  -3.312  18.922   3.248
  196   1HG   PRO  37          2HG       PRO  37  -4.649  17.889   5.711
  197   2HG   PRO  37          1HG       PRO  37  -5.108  17.679   4.012
  198   1HD   PRO  37          2HD       PRO  37  -3.818  15.744   5.594
  199   2HD   PRO  37          1HD       PRO  37  -3.904  15.731   3.821
  200    H    GLY  38           H        GLY  38   0.474  18.870   5.146
  201   1HA   GLY  38          2HA       GLY  38   0.989  20.286   7.143
  202   2HA   GLY  38          1HA       GLY  38  -0.172  19.297   8.036
  203    H    CYS  39           H        CYS  39   1.049  17.012   6.227
  204    HA   CYS  39           HA       CYS  39   2.835  16.009   8.278
  205   1HB   CYS  39          2HB       CYS  39   1.345  14.661   6.651
  206   2HB   CYS  39          1HB       CYS  39   2.630  14.920   5.472
  207    H    THR  40           H        THR  40   5.104  15.235   7.633
  208    HA   THR  40           HA       THR  40   6.446  16.702   5.495
  209    HB   THR  40           HB       THR  40   7.858  17.347   7.943
  210    HG1  THR  40           HG1      THR  40   6.314  18.158   9.088
  211   1HG2  THR  40          1HG2      THR  40   6.603  18.962   5.710
  212   2HG2  THR  40          3HG2      THR  40   7.635  19.650   6.963
  213   3HG2  THR  40          2HG2      THR  40   8.288  18.459   5.837
  214    H    LYS  41           H        LYS  41   6.058  13.916   6.611
  215    HA   LYS  41           HA       LYS  41   8.962  13.226   6.762
  216   1HB   LYS  41          2HB       LYS  41   6.697  12.320   8.516
  217   2HB   LYS  41          1HB       LYS  41   8.076  11.254   8.242
  218   1HG   LYS  41          2HG       LYS  41   9.389  12.466   9.616
  219   2HG   LYS  41          1HG       LYS  41   8.935  13.973   8.821
  220   1HD   LYS  41          2HD       LYS  41   7.371  12.532  10.981
  221   2HD   LYS  41          1HD       LYS  41   8.221  14.069  11.145
  222   1HE   LYS  41          2HE       LYS  41   6.561  14.444   8.933
  223   2HE   LYS  41          1HE       LYS  41   5.564  13.540  10.072
  224   1HZ   LYS  41          3HZ       LYS  41   7.124  15.948  10.814
  225   2HZ   LYS  41          2HZ       LYS  41   5.492  15.997  10.346
  226   3HZ   LYS  41          1HZ       LYS  41   5.952  15.152  11.746
  227    H    THR  42           H        THR  42   9.517  11.207   5.794
  228    HA   THR  42           HA       THR  42   7.351   9.942   4.164
  229    HB   THR  42           HB       THR  42   8.679   9.919   2.243
  230    HG1  THR  42           HG1      THR  42  11.024  10.684   2.687
  231   1HG2  THR  42          2HG2      THR  42   8.375  12.359   3.606
  232   2HG2  THR  42          1HG2      THR  42  10.019  12.377   2.968
  233   3HG2  THR  42          3HG2      THR  42   8.652  12.137   1.878
  234    H    PHE  43           H        PHE  43   8.099   7.694   3.394
  235    HA   PHE  43           HA       PHE  43  10.066   6.435   5.219
  236   1HB   PHE  43          2HB       PHE  43   7.353   5.165   4.929
  237   2HB   PHE  43          1HB       PHE  43   8.570   4.904   6.179
  238    HD1  PHE  43           HD1      PHE  43   6.340   7.571   4.780
  239    HD2  PHE  43           HD2      PHE  43   8.401   6.039   8.223
  240    HE1  PHE  43           HE1      PHE  43   5.262   9.300   6.194
  241    HE2  PHE  43           HE2      PHE  43   7.322   7.767   9.637
  242    HZ   PHE  43           HZ       PHE  43   5.751   9.395   8.623
  243    H    LYS  44           H        LYS  44   9.545   3.782   4.577
  244    HA   LYS  44           HA       LYS  44   9.729   3.739   1.595
  245   1HB   LYS  44          2HB       LYS  44  11.525   2.091   1.749
  246   2HB   LYS  44          1HB       LYS  44  11.985   3.541   2.644
  247   1HG   LYS  44          2HG       LYS  44  11.258   2.481   4.748
  248   2HG   LYS  44          1HG       LYS  44  10.792   1.030   3.859
  249   1HD   LYS  44          2HD       LYS  44  12.953   0.339   3.591
  250   2HD   LYS  44          1HD       LYS  44  13.558   1.983   3.385
  251   1HE   LYS  44          2HE       LYS  44  12.509   1.365   6.081
  252   2HE   LYS  44          1HE       LYS  44  13.972   0.491   5.629
  253   1HZ   LYS  44          2HZ       LYS  44  13.859   3.354   5.051
  254   2HZ   LYS  44          1HZ       LYS  44  14.066   2.887   6.671
  255   3HZ   LYS  44          3HZ       LYS  44  15.184   2.389   5.496
  256    H    ARG  45           H        ARG  45   9.869   1.072   1.133
  257    HA   ARG  45           HA       ARG  45   7.284   0.100   1.284
  258   1HB   ARG  45          2HB       ARG  45   8.330  -2.218   1.209
  259   2HB   ARG  45          1HB       ARG  45   8.902  -1.096  -0.027
  260   1HG   ARG  45          2HG       ARG  45  10.984  -1.606   0.698
  261   2HG   ARG  45          1HG       ARG  45  10.608  -0.596   2.095
  262   1HD   ARG  45          2HD       ARG  45  10.522  -2.381   3.475
  263   2HD   ARG  45          1HD       ARG  45   9.486  -3.275   2.361
  264    HE   ARG  45           HE       ARG  45  12.292  -3.699   2.679
  265   1HH1  ARG  45           HH2      ARG  45   9.820  -4.988   1.043
  266   2HH1  ARG  45           HH2      ARG  45  10.635  -5.233  -0.466
  267   1HH2  ARG  45           HH1      ARG  45  13.379  -3.296   0.397
  268   2HH2  ARG  45           HH1      ARG  45  12.651  -4.278  -0.830
  269    H    ARG  46           H        ARG  46   6.042   0.019   3.103
  270    HA   ARG  46           HA       ARG  46   6.341  -1.830   5.158
  271   1HB   ARG  46          2HB       ARG  46   8.208   0.343   5.453
  272   2HB   ARG  46          1HB       ARG  46   7.050   0.387   6.782
  273   1HG   ARG  46          2HG       ARG  46   7.468  -2.113   7.062
  274   2HG   ARG  46          1HG       ARG  46   8.823  -1.920   5.950
  275   1HD   ARG  46          2HD       ARG  46   9.206   0.151   7.744
  276   2HD   ARG  46          1HD       ARG  46   8.605  -1.150   8.771
  277    HE   ARG  46           HE       ARG  46  11.214  -1.054   7.569
  278   1HH1  ARG  46           HH1      ARG  46  10.318  -3.349   6.040
  279   2HH1  ARG  46           HH1      ARG  46  10.524  -4.682   7.126
  280   1HH2  ARG  46           HH2      ARG  46  10.731  -2.686   9.956
  281   2HH2  ARG  46           HH2      ARG  46  10.756  -4.307   9.344
  282    H    TYR  47           H        TYR  47   5.442  -0.314   7.407
  283    HA   TYR  47           HA       TYR  47   3.065   1.141   6.378
  284   1HB   TYR  47          2HB       TYR  47   2.221  -0.377   8.637
  285   2HB   TYR  47          1HB       TYR  47   1.642  -0.504   6.978
  286    HD1  TYR  47           HD2      TYR  47   3.043  -1.930   5.341
  287    HD2  TYR  47           HD1      TYR  47   3.442  -2.131   9.612
  288    HE1  TYR  47           HE2      TYR  47   4.118  -4.158   5.133
  289    HE2  TYR  47           HE1      TYR  47   4.517  -4.359   9.406
  290    HH   TYR  47           HH       TYR  47   4.591  -6.222   7.797
  291    H    ASN  48           H        ASN  48   5.682   1.611   7.972
  292    HA   ASN  48           HA       ASN  48   4.995   2.237  10.648
  293   1HB   ASN  48          2HB       ASN  48   7.126   3.187   8.757
  294   2HB   ASN  48          1HB       ASN  48   6.918   4.016  10.300
  295   1HD2  ASN  48           HD2      ASN  48   8.169   0.096  10.317
  296   2HD2  ASN  48           HD2      ASN  48   7.325   0.691   8.970
  297    H    ILE  49           H        ILE  49   4.130   3.833   7.711
  298    HA   ILE  49           HA       ILE  49   3.593   6.393   9.014
  299    HB   ILE  49           HB       ILE  49   2.203   5.741   6.474
  300   1HG1  ILE  49          2HG1      ILE  49   4.569   6.452   5.454
  301   2HG1  ILE  49          1HG1      ILE  49   5.141   5.579   6.879
  302   1HG2  ILE  49          1HG2      ILE  49   3.540   8.054   7.815
  303   2HG2  ILE  49          3HG2      ILE  49   3.472   8.053   6.052
  304   3HG2  ILE  49          2HG2      ILE  49   1.981   7.983   6.993
  305   1HD1  ILE  49           HD1      ILE  49   3.258   3.852   6.058
  306   2HD1  ILE  49           HD1      ILE  49   3.673   4.564   4.499
  307   3HD1  ILE  49           HD1      ILE  49   4.919   3.779   5.470
  308    H    ARG  50           H        ARG  50   1.538   3.827   7.601
  309    HA   ARG  50           HA       ARG  50  -0.925   4.798   8.404
  310   1HB   ARG  50          2HB       ARG  50   0.070   1.932   8.524
  311   2HB   ARG  50          1HB       ARG  50  -1.624   2.383   8.733
  312   1HG   ARG  50          2HG       ARG  50  -1.490   3.553   6.492
  313   2HG   ARG  50          1HG       ARG  50   0.101   2.822   6.282
  314   1HD   ARG  50          2HD       ARG  50  -0.757   0.731   5.932
  315   2HD   ARG  50          1HD       ARG  50  -2.077   0.970   7.077
  316    HE   ARG  50           HE       ARG  50  -2.620   2.654   4.887
  317   1HH1  ARG  50           HH2      ARG  50  -3.951   0.012   6.096
  318   2HH1  ARG  50           HH2      ARG  50  -4.238  -0.833   4.611
  319   1HH2  ARG  50           HH1      ARG  50  -2.228   1.263   2.718
  320   2HH2  ARG  50           HH1      ARG  50  -3.263  -0.125   2.700
  321    H    SER  51           H        SER  51   1.652   3.636  10.448
  322    HA   SER  51           HA       SER  51  -0.118   3.657  12.816
  323   1HB   SER  51          2HB       SER  51   1.898   2.063  12.467
  324   2HB   SER  51          1HB       SER  51   2.905   3.467  12.812
  325    HG   SER  51           HG       SER  51   0.775   2.712  14.508
  326    H    HIS  52           H        HIS  52   2.456   5.520  11.306
  327    HA   HIS  52           HA       HIS  52   2.615   7.540  13.338
  328   1HB   HIS  52          2HB       HIS  52   4.457   7.934  12.069
  329   2HB   HIS  52          1HB       HIS  52   3.796   7.010  10.728
  330    HD1  HIS  52           HD1      HIS  52   4.388  10.453  11.912
  331    HD2  HIS  52           HD2      HIS  52   2.139   8.631   8.908
  332    HE1  HIS  52           HE1      HIS  52   3.583  12.309  10.391
  333    H    ILE  53           H        ILE  53   0.957   7.587  10.137
  334    HA   ILE  53           HA       ILE  53  -0.296  10.079  10.593
  335    HB   ILE  53           HB       ILE  53  -2.188   8.922   9.094
  336   1HG1  ILE  53          2HG1      ILE  53   0.271   7.271   8.457
  337   2HG1  ILE  53          1HG1      ILE  53  -1.092   6.655   9.397
  338   1HG2  ILE  53          3HG2      ILE  53  -0.269  10.695   8.641
  339   2HG2  ILE  53          2HG2      ILE  53   0.432   9.356   7.732
  340   3HG2  ILE  53          1HG2      ILE  53  -1.168   9.964   7.310
  341   1HD1  ILE  53           HD1      ILE  53  -2.577   7.392   7.445
  342   2HD1  ILE  53           HD1      ILE  53  -1.088   7.600   6.525
  343   3HD1  ILE  53           HD1      ILE  53  -1.530   6.008   7.139
  344    H    GLN  54           H        GLN  54  -1.391   6.776  11.399
  345    HA   GLN  54           HA       GLN  54  -3.937   7.290  12.325
  346   1HB   GLN  54          2HB       GLN  54  -1.990   5.273  12.795
  347   2HB   GLN  54          1HB       GLN  54  -2.629   5.752  14.369
  348   1HG   GLN  54          2HG       GLN  54  -4.206   4.167  13.748
  349   2HG   GLN  54          1HG       GLN  54  -4.950   5.626  13.096
  350   1HE2  GLN  54          2HE2      GLN  54  -3.534   4.725   9.732
  351   2HE2  GLN  54          1HE2      GLN  54  -3.294   6.021  10.801
  352    H    THR  55           H        THR  55  -0.937   8.340  13.842
  353    HA   THR  55           HA       THR  55  -2.443   9.302  16.170
  354    HB   THR  55           HB       THR  55   0.150  10.501  16.042
  355    HG1  THR  55           HG1      THR  55   1.395   8.635  15.784
  356   1HG2  THR  55          1HG2      THR  55  -1.401   8.648  17.725
  357   2HG2  THR  55          3HG2      THR  55   0.347   8.432  17.829
  358   3HG2  THR  55          2HG2      THR  55  -0.370  10.001  18.193
  359    H    HIS  56           H        HIS  56  -0.872  10.698  13.309
  360    HA   HIS  56           HA       HIS  56  -2.096  13.284  14.043
  361   1HB   HIS  56          2HB       HIS  56  -0.329  14.289  13.089
  362   2HB   HIS  56          1HB       HIS  56   0.431  12.722  13.218
  363    HD1  HIS  56           HD1      HIS  56  -1.363  14.918  10.693
  364    HD2  HIS  56           HD2      HIS  56   1.110  11.562  10.771
  365    HE1  HIS  56           HE1      HIS  56  -0.443  14.639   8.344
  366    H    LEU  57           H        LEU  57  -3.530  10.934  12.983
  367    HA   LEU  57           HA       LEU  57  -4.970  12.359  10.844
  368   1HB   LEU  57          2HB       LEU  57  -3.415   9.886  10.422
  369   2HB   LEU  57          1HB       LEU  57  -5.074   9.813   9.843
  370    HG   LEU  57           HG       LEU  57  -4.563  12.139   8.798
  371   1HD1  LEU  57           HD1      LEU  57  -1.984  11.349   9.907
  372   2HD1  LEU  57           HD1      LEU  57  -1.884  11.650   8.172
  373   3HD1  LEU  57           HD1      LEU  57  -2.486  12.907   9.251
  374   1HD2  LEU  57           HD2      LEU  57  -3.655   9.432   7.879
  375   2HD2  LEU  57           HD2      LEU  57  -4.951  10.447   7.248
  376   3HD2  LEU  57           HD2      LEU  57  -3.269  10.838   6.890
  377    H    GLU  58           H        GLU  58  -4.858   9.961  13.419
  378    HA   GLU  58           HA       GLU  58  -7.657   9.181  12.998
  379   1HB   GLU  58          2HB       GLU  58  -5.911   7.617  13.933
  380   2HB   GLU  58          1HB       GLU  58  -5.885   8.615  15.388
  381   1HG   GLU  58          2HG       GLU  58  -8.033   7.996  16.022
  382   2HG   GLU  58          1HG       GLU  58  -8.524   7.626  14.369
  383    H    ASP  59           H        ASP  59  -5.818  10.992  15.476
  384    HA   ASP  59           HA       ASP  59  -8.307  11.870  16.761
  385   1HB   ASP  59          2HB       ASP  59  -5.453  11.903  17.379
  386   2HB   ASP  59          1HB       ASP  59  -6.233  13.438  17.763
  387    H    ARG  60           H        ARG  60  -5.561  13.633  15.261
  388    HA   ARG  60           HA       ARG  60  -6.732  16.168  15.144
  389   1HB   ARG  60          2HB       ARG  60  -4.642  14.745  13.621
  390   2HB   ARG  60          1HB       ARG  60  -5.394  16.085  12.756
  391   1HG   ARG  60          2HG       ARG  60  -4.934  16.932  15.445
  392   2HG   ARG  60          1HG       ARG  60  -3.443  16.207  14.844
  393   1HD   ARG  60          2HD       ARG  60  -3.242  18.429  14.125
  394   2HD   ARG  60          1HD       ARG  60  -3.909  17.631  12.702
  395    HE   ARG  60           HE       ARG  60  -6.177  18.447  13.959
  396   1HH1  ARG  60           HH2      ARG  60  -4.407  19.884  11.728
  397   2HH1  ARG  60           HH2      ARG  60  -4.551  21.515  12.293
  398   1HH2  ARG  60           HH1      ARG  60  -5.846  20.612  15.381
  399   2HH2  ARG  60           HH1      ARG  60  -5.366  21.927  14.361
   
  No H/Q in entry =         399
  Start of MODEL   44
    1   1H    THR  14          1H        THR  14 -12.114   0.066   7.953
    2   2H    THR  14          3H        THR  14 -12.105  -1.084   9.199
    3   3H    THR  14          2H        THR  14 -10.772  -0.956   8.153
    4    HA   THR  14           HA       THR  14 -11.659  -2.377   6.729
    5    HB   THR  14           HB       THR  14 -13.873  -2.432   8.799
    6    HG1  THR  14           HG1      THR  14 -12.427  -3.537   9.811
    7   1HG2  THR  14          1HG2      THR  14 -13.899  -3.478   6.177
    8   2HG2  THR  14          3HG2      THR  14 -13.585  -4.846   7.244
    9   3HG2  THR  14          2HG2      THR  14 -15.021  -3.850   7.486
   10    H    LEU  15           H        LEU  15 -14.825  -1.124   7.742
   11    HA   LEU  15           HA       LEU  15 -15.723  -0.767   5.053
   12   1HB   LEU  15          2HB       LEU  15 -16.862  -0.618   7.618
   13   2HB   LEU  15          1HB       LEU  15 -17.100   0.978   6.904
   14    HG   LEU  15           HG       LEU  15 -17.863  -1.667   5.629
   15   1HD1  LEU  15           HD1      LEU  15 -19.376   0.491   7.078
   16   2HD1  LEU  15           HD1      LEU  15 -20.178  -0.451   5.821
   17   3HD1  LEU  15           HD1      LEU  15 -19.513  -1.260   7.241
   18   1HD2  LEU  15           HD2      LEU  15 -17.102   0.119   4.033
   19   2HD2  LEU  15           HD2      LEU  15 -18.799  -0.317   3.834
   20   3HD2  LEU  15           HD2      LEU  15 -18.364   1.170   4.676
   21    HA   PRO  16           HA       PRO  16 -14.762   3.841   5.658
   22   1HB   PRO  16          2HB       PRO  16 -13.447   4.578   7.946
   23   2HB   PRO  16          1HB       PRO  16 -15.212   4.495   7.813
   24   1HG   PRO  16          2HG       PRO  16 -13.350   2.641   9.215
   25   2HG   PRO  16          1HG       PRO  16 -15.060   2.970   9.538
   26   1HD   PRO  16          2HD       PRO  16 -14.017   0.717   8.168
   27   2HD   PRO  16          1HD       PRO  16 -15.724   1.203   8.246
   28    H    ARG  17           H        ARG  17 -13.010   4.610   4.503
   29    HA   ARG  17           HA       ARG  17 -10.268   4.086   5.302
   30   1HB   ARG  17          2HB       ARG  17  -9.700   2.844   3.167
   31   2HB   ARG  17          1HB       ARG  17 -10.654   1.916   4.325
   32   1HG   ARG  17          2HG       ARG  17 -12.143   1.566   2.667
   33   2HG   ARG  17          1HG       ARG  17 -12.552   3.278   2.783
   34   1HD   ARG  17          2HD       ARG  17 -10.126   3.072   1.299
   35   2HD   ARG  17          1HD       ARG  17 -11.268   1.912   0.621
   36    HE   ARG  17           HE       ARG  17 -11.592   4.846   0.647
   37   1HH1  ARG  17           HH2      ARG  17 -13.869   2.608   1.273
   38   2HH1  ARG  17           HH2      ARG  17 -14.754   2.763  -0.207
   39   1HH2  ARG  17           HH1      ARG  17 -12.318   4.671  -1.772
   40   2HH2  ARG  17           HH1      ARG  17 -13.876   3.932  -1.931
   41    H    GLY  18           H        GLY  18 -11.509   6.488   4.896
   42   1HA   GLY  18          2HA       GLY  18 -10.417   7.380   2.256
   43   2HA   GLY  18          1HA       GLY  18 -11.852   8.101   2.984
   44    H    SER  19           H        SER  19  -9.301   7.222   5.136
   45    HA   SER  19           HA       SER  19  -8.477  10.081   5.286
   46   1HB   SER  19          2HB       SER  19  -8.084   9.571   7.762
   47   2HB   SER  19          1HB       SER  19  -9.766   9.669   7.247
   48    HG   SER  19           HG       SER  19  -9.812   7.763   8.181
   49    H    ILE  20           H        ILE  20  -7.461   6.759   6.076
   50    HA   ILE  20           HA       ILE  20  -4.646   7.556   6.164
   51    HB   ILE  20           HB       ILE  20  -5.534   4.699   6.002
   52   1HG1  ILE  20          2HG1      ILE  20  -7.178   5.580   7.511
   53   2HG1  ILE  20          1HG1      ILE  20  -5.924   4.855   8.519
   54   1HG2  ILE  20          3HG2      ILE  20  -3.113   5.777   6.348
   55   2HG2  ILE  20          2HG2      ILE  20  -3.647   5.820   8.028
   56   3HG2  ILE  20          1HG2      ILE  20  -3.582   4.285   7.161
   57   1HD1  ILE  20           HD1      ILE  20  -4.883   7.287   8.410
   58   2HD1  ILE  20           HD1      ILE  20  -6.548   7.750   8.058
   59   3HD1  ILE  20           HD1      ILE  20  -6.164   6.915   9.563
   60    H    ASP  21           H        ASP  21  -6.624   5.443   4.087
   61    HA   ASP  21           HA       ASP  21  -4.520   5.073   2.138
   62   1HB   ASP  21          2HB       ASP  21  -7.497   4.568   2.138
   63   2HB   ASP  21          1HB       ASP  21  -6.529   4.324   0.684
   64    H    LYS  22           H        LYS  22  -6.488   7.715   2.870
   65    HA   LYS  22           HA       LYS  22  -6.482   8.740   0.083
   66   1HB   LYS  22          2HB       LYS  22  -8.536   8.981   1.488
   67   2HB   LYS  22          1HB       LYS  22  -7.619   9.996   2.601
   68   1HG   LYS  22          2HG       LYS  22  -7.227  11.646   0.876
   69   2HG   LYS  22          1HG       LYS  22  -7.933  10.596  -0.352
   70   1HD   LYS  22          2HD       LYS  22 -10.100  10.961   0.379
   71   2HD   LYS  22          1HD       LYS  22  -9.594  11.303   2.034
   72   1HE   LYS  22          2HE       LYS  22  -8.384  13.363   0.817
   73   2HE   LYS  22          1HE       LYS  22  -9.702  13.119  -0.329
   74   1HZ   LYS  22          3HZ       LYS  22 -10.914  12.943   2.094
   75   2HZ   LYS  22          2HZ       LYS  22  -9.771  14.176   2.333
   76   3HZ   LYS  22          1HZ       LYS  22 -10.916  14.307   1.086
   77    H    TYR  23           H        TYR  23  -4.255   8.569   2.437
   78    HA   TYR  23           HA       TYR  23  -2.957  11.066   1.520
   79   1HB   TYR  23          2HB       TYR  23  -3.740  10.459   4.359
   80   2HB   TYR  23          1HB       TYR  23  -2.288  11.408   4.034
   81    HD1  TYR  23           HD2      TYR  23  -2.919  13.008   1.735
   82    HD2  TYR  23           HD1      TYR  23  -5.461  11.904   5.015
   83    HE1  TYR  23           HE2      TYR  23  -4.318  15.011   1.321
   84    HE2  TYR  23           HE1      TYR  23  -6.861  13.908   4.605
   85    HH   TYR  23           HH       TYR  23  -7.030  15.523   1.956
   86    H    VAL  24           H        VAL  24  -2.639   8.018   1.394
   87    HA   VAL  24           HA       VAL  24   0.154   7.915   2.462
   88    HB   VAL  24           HB       VAL  24  -1.896   5.723   2.064
   89   1HG1  VAL  24          2HG1      VAL  24   1.090   5.622   2.332
   90   2HG1  VAL  24          1HG1      VAL  24   0.122   4.360   3.095
   91   3HG1  VAL  24          3HG1      VAL  24   0.022   4.617   1.353
   92   1HG2  VAL  24          2HG2      VAL  24  -1.886   7.139   4.176
   93   2HG2  VAL  24          1HG2      VAL  24  -1.666   5.409   4.439
   94   3HG2  VAL  24          3HG2      VAL  24  -0.279   6.495   4.507
   95    H    LYS  25           H        LYS  25   1.639   8.029   0.853
   96    HA   LYS  25           HA       LYS  25   0.827   7.127  -1.873
   97   1HB   LYS  25          2HB       LYS  25   1.966   9.503  -1.100
   98   2HB   LYS  25          1HB       LYS  25   3.384   8.568  -1.579
   99   1HG   LYS  25          2HG       LYS  25   2.505   8.180  -3.771
  100   2HG   LYS  25          1HG       LYS  25   0.910   8.777  -3.308
  101   1HD   LYS  25          2HD       LYS  25   1.511  10.951  -3.580
  102   2HD   LYS  25          1HD       LYS  25   3.096  10.699  -2.850
  103   1HE   LYS  25          2HE       LYS  25   3.327   9.279  -5.190
  104   2HE   LYS  25          1HE       LYS  25   2.306  10.627  -5.687
  105   1HZ   LYS  25          3HZ       LYS  25   4.874  10.896  -4.222
  106   2HZ   LYS  25          2HZ       LYS  25   4.685  11.114  -5.896
  107   3HZ   LYS  25          1HZ       LYS  25   3.911  12.164  -4.807
  108    H    GLU  26           H        GLU  26   1.226   4.869  -1.295
  109    HA   GLU  26           HA       GLU  26   3.872   4.027  -0.434
  110   1HB   GLU  26          2HB       GLU  26   3.046   1.785  -0.699
  111   2HB   GLU  26          1HB       GLU  26   1.713   2.741  -0.054
  112   1HG   GLU  26          2HG       GLU  26   0.786   3.005  -2.314
  113   2HG   GLU  26          1HG       GLU  26   2.133   2.085  -2.985
  114    H    MET  27           H        MET  27   5.605   3.503  -1.715
  115    HA   MET  27           HA       MET  27   5.163   3.615  -4.667
  116   1HB   MET  27          2HB       MET  27   6.793   5.231  -3.169
  117   2HB   MET  27          1HB       MET  27   7.915   3.967  -3.671
  118   1HG   MET  27          2HG       MET  27   7.956   4.740  -5.789
  119   2HG   MET  27          1HG       MET  27   6.195   4.772  -5.870
  120   1HE   MET  27          3HE       MET  27   5.428   6.536  -3.455
  121   2HE   MET  27          2HE       MET  27   5.258   8.116  -4.214
  122   3HE   MET  27          1HE       MET  27   4.697   6.676  -5.059
  123    HA   PRO  28           HA       PRO  28   6.455  -0.616  -4.587
  124   1HB   PRO  28          2HB       PRO  28   6.732  -0.905  -7.312
  125   2HB   PRO  28          1HB       PRO  28   5.172  -0.940  -6.470
  126   1HG   PRO  28          2HG       PRO  28   6.375   1.247  -8.113
  127   2HG   PRO  28          1HG       PRO  28   4.668   0.856  -7.842
  128   1HD   PRO  28          2HD       PRO  28   6.066   2.938  -6.577
  129   2HD   PRO  28          1HD       PRO  28   4.530   2.244  -6.015
  130    H    ASP  29           H        ASP  29   8.301   2.051  -5.602
  131    HA   ASP  29           HA       ASP  29  10.685   0.453  -6.270
  132   1HB   ASP  29          2HB       ASP  29  11.748   2.563  -6.768
  133   2HB   ASP  29          1HB       ASP  29  10.123   2.624  -7.455
  134    H    LYS  30           H        LYS  30   9.225   0.772  -3.528
  135    HA   LYS  30           HA       LYS  30   9.992   0.437  -1.345
  136   1HB   LYS  30          2HB       LYS  30  12.712   1.283  -2.319
  137   2HB   LYS  30          1HB       LYS  30  12.336   0.360  -0.869
  138   1HG   LYS  30          2HG       LYS  30  12.241  -1.589  -2.014
  139   2HG   LYS  30          1HG       LYS  30  11.279  -0.871  -3.308
  140   1HD   LYS  30          2HD       LYS  30  13.191  -1.214  -4.521
  141   2HD   LYS  30          1HD       LYS  30  13.655   0.325  -3.796
  142   1HE   LYS  30          2HE       LYS  30  14.289  -1.620  -1.868
  143   2HE   LYS  30          1HE       LYS  30  14.824  -2.297  -3.405
  144   1HZ   LYS  30          3HZ       LYS  30  15.458   0.468  -3.209
  145   2HZ   LYS  30          2HZ       LYS  30  16.122  -0.399  -1.908
  146   3HZ   LYS  30          1HZ       LYS  30  16.483  -0.850  -3.506
  147    H    THR  31           H        THR  31   8.610   2.615  -1.677
  148    HA   THR  31           HA       THR  31  10.067   4.634  -0.104
  149    HB   THR  31           HB       THR  31   8.574   5.625  -2.492
  150    HG1  THR  31           HG1      THR  31  11.340   5.085  -2.512
  151   1HG2  THR  31          1HG2      THR  31  10.527   6.630  -0.493
  152   2HG2  THR  31          3HG2      THR  31  10.664   7.275  -2.128
  153   3HG2  THR  31          2HG2      THR  31   9.154   7.451  -1.235
  154    H    PHE  32           H        PHE  32   8.401   6.553   0.283
  155    HA   PHE  32           HA       PHE  32   5.589   5.770   0.341
  156   1HB   PHE  32          2HB       PHE  32   7.345   5.373   2.693
  157   2HB   PHE  32          1HB       PHE  32   5.845   6.240   3.021
  158    HD1  PHE  32           HD2      PHE  32   3.659   5.183   2.619
  159    HD2  PHE  32           HD1      PHE  32   7.331   3.054   1.969
  160    HE1  PHE  32           HE2      PHE  32   2.403   3.046   2.537
  161    HE2  PHE  32           HE1      PHE  32   6.077   0.916   1.886
  162    HZ   PHE  32           HZ       PHE  32   3.613   0.912   2.170
  163    H    GLU  33           H        GLU  33   4.257   7.613   0.876
  164    HA   GLU  33           HA       GLU  33   5.656  10.093   1.674
  165   1HB   GLU  33          2HB       GLU  33   5.404   9.586  -0.996
  166   2HB   GLU  33          1HB       GLU  33   3.909  10.466  -0.677
  167   1HG   GLU  33          2HG       GLU  33   5.241  12.259   0.433
  168   2HG   GLU  33          1HG       GLU  33   6.716  11.398  -0.008
  169    H    CYS  34           H        CYS  34   4.355  10.282   3.503
  170    HA   CYS  34           HA       CYS  34   1.469   9.958   3.432
  171   1HB   CYS  34          2HB       CYS  34   2.800   9.693   5.511
  172   2HB   CYS  34          1HB       CYS  34   3.253  11.392   5.433
  173    H    LEU  35           H        LEU  35   0.617  11.325   1.823
  174    HA   LEU  35           HA       LEU  35   1.448  14.112   1.630
  175   1HB   LEU  35          2HB       LEU  35  -0.444  14.235  -0.043
  176   2HB   LEU  35          1HB       LEU  35   0.780  13.017  -0.405
  177    HG   LEU  35           HG       LEU  35  -1.369  12.015   1.321
  178   1HD1  LEU  35           HD1      LEU  35  -2.405  13.753  -0.391
  179   2HD1  LEU  35           HD1      LEU  35  -2.167  12.435  -1.537
  180   3HD1  LEU  35           HD1      LEU  35  -3.184  12.195  -0.118
  181   1HD2  LEU  35           HD2      LEU  35   0.558  10.945  -0.269
  182   2HD2  LEU  35           HD2      LEU  35  -0.905  10.076   0.193
  183   3HD2  LEU  35           HD2      LEU  35  -0.818  10.889  -1.370
  184    H    PHE  36           H        PHE  36  -0.226  12.742   4.011
  185    HA   PHE  36           HA       PHE  36  -2.683  14.123   4.211
  186   1HB   PHE  36          2HB       PHE  36  -2.076  12.405   5.817
  187   2HB   PHE  36          1HB       PHE  36  -0.688  13.347   6.361
  188    HD1  PHE  36           HD2      PHE  36  -1.086  15.590   7.467
  189    HD2  PHE  36           HD1      PHE  36  -4.240  12.780   6.708
  190    HE1  PHE  36           HE2      PHE  36  -2.508  16.744   9.133
  191    HE2  PHE  36           HE1      PHE  36  -5.665  13.932   8.375
  192    HZ   PHE  36           HZ       PHE  36  -4.805  15.917   9.586
  193    HA   PRO  37           HA       PRO  37  -1.343  18.298   4.471
  194   1HB   PRO  37          2HB       PRO  37  -3.603  19.361   5.642
  195   2HB   PRO  37          1HB       PRO  37  -3.487  18.932   3.926
  196   1HG   PRO  37          2HG       PRO  37  -4.862  17.468   6.143
  197   2HG   PRO  37          1HG       PRO  37  -5.264  17.529   4.418
  198   1HD   PRO  37          2HD       PRO  37  -3.964  15.394   5.676
  199   2HD   PRO  37          1HD       PRO  37  -3.937  15.711   3.931
  200    H    GLY  38           H        GLY  38   0.293  18.434   5.950
  201   1HA   GLY  38          2HA       GLY  38   0.616  19.711   8.154
  202   2HA   GLY  38          1HA       GLY  38  -0.430  18.465   8.845
  203    H    CYS  39           H        CYS  39   1.179  16.849   6.526
  204    HA   CYS  39           HA       CYS  39   3.069  15.711   8.476
  205   1HB   CYS  39          2HB       CYS  39   1.569  14.492   6.643
  206   2HB   CYS  39          1HB       CYS  39   2.987  14.795   5.638
  207    H    THR  40           H        THR  40   4.856  14.902   6.213
  208    HA   THR  40           HA       THR  40   6.186  16.643   4.695
  209    HB   THR  40           HB       THR  40   6.536  17.491   7.563
  210    HG1  THR  40           HG1      THR  40   6.574  18.947   5.136
  211   1HG2  THR  40          2HG2      THR  40   8.646  17.531   5.411
  212   2HG2  THR  40          1HG2      THR  40   8.608  18.774   6.661
  213   3HG2  THR  40          3HG2      THR  40   8.811  17.080   7.108
  214    H    LYS  41           H        LYS  41   6.225  14.108   6.964
  215    HA   LYS  41           HA       LYS  41   9.071  13.455   6.390
  216   1HB   LYS  41          2HB       LYS  41   7.090  12.395   8.413
  217   2HB   LYS  41          1HB       LYS  41   8.668  11.657   8.141
  218   1HG   LYS  41          2HG       LYS  41   9.815  13.434   9.059
  219   2HG   LYS  41          1HG       LYS  41   8.586  14.608   8.586
  220   1HD   LYS  41          2HD       LYS  41   8.588  14.282  11.032
  221   2HD   LYS  41          1HD       LYS  41   7.071  13.723  10.326
  222   1HE   LYS  41          2HE       LYS  41   7.831  11.415  10.391
  223   2HE   LYS  41          1HE       LYS  41   9.429  11.919  10.942
  224   1HZ   LYS  41          2HZ       LYS  41   7.503  13.034  12.643
  225   2HZ   LYS  41          1HZ       LYS  41   7.167  11.377  12.486
  226   3HZ   LYS  41          3HZ       LYS  41   8.696  11.883  13.014
  227    H    THR  42           H        THR  42   9.518  11.985   4.838
  228    HA   THR  42           HA       THR  42   7.302  10.251   3.852
  229    HB   THR  42           HB       THR  42   8.450  10.091   1.807
  230    HG1  THR  42           HG1      THR  42  10.774  11.311   2.732
  231   1HG2  THR  42          1HG2      THR  42   8.603  12.780   3.080
  232   2HG2  THR  42          3HG2      THR  42   9.454  12.562   1.552
  233   3HG2  THR  42          2HG2      THR  42   7.718  12.263   1.646
  234    H    PHE  43           H        PHE  43   7.927   7.954   3.330
  235    HA   PHE  43           HA       PHE  43  10.137   6.993   5.099
  236   1HB   PHE  43          2HB       PHE  43   7.580   5.444   4.798
  237   2HB   PHE  43          1HB       PHE  43   8.773   5.374   6.098
  238    HD1  PHE  43           HD1      PHE  43   6.156   7.528   4.549
  239    HD2  PHE  43           HD2      PHE  43   8.618   6.809   7.996
  240    HE1  PHE  43           HE1      PHE  43   4.887   9.244   5.813
  241    HE2  PHE  43           HE2      PHE  43   7.350   8.527   9.258
  242    HZ   PHE  43           HZ       PHE  43   5.482   9.741   8.168
  243    H    LYS  44           H        LYS  44  10.313   4.417   4.570
  244    HA   LYS  44           HA       LYS  44  10.057   4.006   1.641
  245   1HB   LYS  44          2HB       LYS  44  12.382   3.434   1.371
  246   2HB   LYS  44          1HB       LYS  44  12.325   5.008   2.164
  247   1HG   LYS  44          2HG       LYS  44  12.244   3.284   4.307
  248   2HG   LYS  44          1HG       LYS  44  13.308   2.432   3.188
  249   1HD   LYS  44          2HD       LYS  44  14.783   4.330   3.025
  250   2HD   LYS  44          1HD       LYS  44  13.653   5.352   3.914
  251   1HE   LYS  44          2HE       LYS  44  14.019   3.222   5.636
  252   2HE   LYS  44          1HE       LYS  44  15.622   3.426   4.929
  253   1HZ   LYS  44          1HZ       LYS  44  15.113   5.930   5.396
  254   2HZ   LYS  44          3HZ       LYS  44  14.055   5.293   6.558
  255   3HZ   LYS  44          2HZ       LYS  44  15.713   4.924   6.626
  256    H    ARG  45           H        ARG  45   9.462   1.937   1.197
  257    HA   ARG  45           HA       ARG  45   8.658  -0.226   1.720
  258   1HB   ARG  45          2HB       ARG  45  11.463  -0.088   1.669
  259   2HB   ARG  45          1HB       ARG  45  11.076  -1.070   3.083
  260   1HG   ARG  45          2HG       ARG  45   9.576  -1.615   0.557
  261   2HG   ARG  45          1HG       ARG  45  11.252  -2.157   0.655
  262   1HD   ARG  45          2HD       ARG  45  10.546  -3.120   2.979
  263   2HD   ARG  45          1HD       ARG  45   8.904  -2.975   2.350
  264    HE   ARG  45           HE       ARG  45  10.929  -4.891   1.449
  265   1HH1  ARG  45           HH2      ARG  45   8.235  -2.975   0.490
  266   2HH1  ARG  45           HH2      ARG  45   7.591  -4.174  -0.581
  267   1HH2  ARG  45           HH1      ARG  45  10.017  -6.533   0.174
  268   2HH2  ARG  45           HH1      ARG  45   8.600  -6.187  -0.760
  269    H    ARG  46           H        ARG  46   7.126   0.464   3.397
  270    HA   ARG  46           HA       ARG  46   7.390  -0.950   5.833
  271   1HB   ARG  46          2HB       ARG  46   9.078   1.132   6.003
  272   2HB   ARG  46          1HB       ARG  46   7.599   1.944   6.519
  273   1HG   ARG  46          2HG       ARG  46   7.765   0.991   8.547
  274   2HG   ARG  46          1HG       ARG  46   7.720  -0.610   7.809
  275   1HD   ARG  46          2HD       ARG  46  10.126  -0.585   7.477
  276   2HD   ARG  46          1HD       ARG  46  10.224   1.082   8.042
  277    HE   ARG  46           HE       ARG  46   9.249   0.036  10.252
  278   1HH1  ARG  46           HH1      ARG  46   9.337  -2.733   9.935
  279   2HH1  ARG  46           HH1      ARG  46  10.972  -3.205  10.255
  280   1HH2  ARG  46           HH2      ARG  46  12.257  -0.010   9.832
  281   2HH2  ARG  46           HH2      ARG  46  12.625  -1.663  10.198
  282    H    TYR  47           H        TYR  47   5.296  -1.294   6.354
  283    HA   TYR  47           HA       TYR  47   3.266   0.708   5.510
  284   1HB   TYR  47          2HB       TYR  47   2.009  -1.523   6.741
  285   2HB   TYR  47          1HB       TYR  47   2.021  -1.115   5.027
  286    HD1  TYR  47           HD1      TYR  47   3.635  -3.102   7.683
  287    HD2  TYR  47           HD2      TYR  47   3.542  -2.193   3.489
  288    HE1  TYR  47           HE1      TYR  47   5.047  -5.093   7.220
  289    HE2  TYR  47           HE2      TYR  47   4.954  -4.182   3.022
  290    HH   TYR  47           HH       TYR  47   6.783  -5.649   5.058
  291    H    ASN  48           H        ASN  48   5.120   0.956   7.840
  292    HA   ASN  48           HA       ASN  48   3.198   0.787  10.075
  293   1HB   ASN  48          2HB       ASN  48   6.175   1.018   9.862
  294   2HB   ASN  48          1HB       ASN  48   5.394   1.676  11.301
  295   1HD2  ASN  48           HD2      ASN  48   4.829  -2.351  10.633
  296   2HD2  ASN  48           HD2      ASN  48   4.807  -1.288   9.311
  297    H    ILE  49           H        ILE  49   4.416   2.962   7.787
  298    HA   ILE  49           HA       ILE  49   4.222   5.360   9.416
  299    HB   ILE  49           HB       ILE  49   5.181   6.393   7.652
  300   1HG1  ILE  49          2HG1      ILE  49   2.921   6.672   6.632
  301   2HG1  ILE  49          1HG1      ILE  49   4.202   6.518   5.432
  302   1HG2  ILE  49          1HG2      ILE  49   6.212   4.111   7.478
  303   2HG2  ILE  49          3HG2      ILE  49   5.045   3.739   6.209
  304   3HG2  ILE  49          2HG2      ILE  49   6.224   5.026   5.972
  305   1HD1  ILE  49           HD1      ILE  49   3.275   3.898   6.070
  306   2HD1  ILE  49           HD1      ILE  49   1.869   4.908   5.736
  307   3HD1  ILE  49           HD1      ILE  49   3.150   4.756   4.533
  308    H    ARG  50           H        ARG  50   2.054   3.416   7.476
  309    HA   ARG  50           HA       ARG  50  -0.064   5.297   7.161
  310   1HB   ARG  50          2HB       ARG  50  -1.545   3.213   7.188
  311   2HB   ARG  50          1HB       ARG  50  -0.246   3.204   5.995
  312   1HG   ARG  50          2HG       ARG  50   0.694   1.387   6.935
  313   2HG   ARG  50          1HG       ARG  50   0.687   2.143   8.527
  314   1HD   ARG  50          2HD       ARG  50  -1.745   1.550   8.729
  315   2HD   ARG  50          1HD       ARG  50  -1.604   0.654   7.217
  316    HE   ARG  50           HE       ARG  50   0.378  -0.168   9.183
  317   1HH1  ARG  50           HH2      ARG  50  -2.995  -0.170   9.113
  318   2HH1  ARG  50           HH2      ARG  50  -3.166  -1.882   9.313
  319   1HH2  ARG  50           HH1      ARG  50   0.225  -2.527   8.999
  320   2HH2  ARG  50           HH1      ARG  50  -1.345  -3.215   9.249
  321    H    SER  51           H        SER  51   1.013   3.363   9.884
  322    HA   SER  51           HA       SER  51  -1.299   4.009  11.546
  323   1HB   SER  51          2HB       SER  51   1.087   2.365  11.762
  324   2HB   SER  51          1HB       SER  51   0.871   3.341  13.212
  325    HG   SER  51           HG       SER  51  -0.743   2.108  13.720
  326    H    HIS  52           H        HIS  52   1.970   5.220  11.009
  327    HA   HIS  52           HA       HIS  52   2.167   7.079  13.120
  328   1HB   HIS  52          2HB       HIS  52   4.127   7.401  12.011
  329   2HB   HIS  52          1HB       HIS  52   3.486   6.599  10.583
  330    HD1  HIS  52           HD1      HIS  52   4.850   9.738  11.543
  331    HD2  HIS  52           HD2      HIS  52   1.650   8.631   9.122
  332    HE1  HIS  52           HE1      HIS  52   4.251  11.778  10.165
  333    H    ILE  53           H        ILE  53   0.425   7.263  10.065
  334    HA   ILE  53           HA       ILE  53  -0.349  10.017  10.256
  335    HB   ILE  53           HB       ILE  53  -2.051   7.829   9.024
  336   1HG1  ILE  53          2HG1      ILE  53   0.411   9.149   7.839
  337   2HG1  ILE  53          1HG1      ILE  53   0.252   7.444   8.259
  338   1HG2  ILE  53          2HG2      ILE  53  -1.526  10.729   8.338
  339   2HG2  ILE  53          1HG2      ILE  53  -2.525   9.636   7.380
  340   3HG2  ILE  53          3HG2      ILE  53  -3.006  10.061   9.021
  341   1HD1  ILE  53           HD1      ILE  53  -1.961   8.204   6.593
  342   2HD1  ILE  53           HD1      ILE  53  -0.456   8.695   5.812
  343   3HD1  ILE  53           HD1      ILE  53  -0.703   7.011   6.273
  344    H    GLN  54           H        GLN  54  -2.307   7.104  10.888
  345    HA   GLN  54           HA       GLN  54  -4.506   8.235  12.106
  346   1HB   GLN  54          2HB       GLN  54  -3.108   5.658  12.345
  347   2HB   GLN  54          1HB       GLN  54  -4.085   6.077  13.752
  348   1HG   GLN  54          2HG       GLN  54  -5.960   5.548  12.628
  349   2HG   GLN  54          1HG       GLN  54  -5.563   6.737  11.386
  350   1HE2  GLN  54          2HE2      GLN  54  -3.780   4.220   9.386
  351   2HE2  GLN  54          1HE2      GLN  54  -3.519   5.796   9.960
  352    H    THR  55           H        THR  55  -1.249   8.124  13.389
  353    HA   THR  55           HA       THR  55  -2.135   8.834  16.084
  354    HB   THR  55           HB       THR  55   0.674   9.288  15.147
  355    HG1  THR  55           HG1      THR  55  -0.670   6.824  15.351
  356   1HG2  THR  55          2HG2      THR  55  -0.782   8.821  17.639
  357   2HG2  THR  55          1HG2      THR  55   0.640   7.790  17.480
  358   3HG2  THR  55          3HG2      THR  55   0.807   9.543  17.386
  359    H    HIS  56           H        HIS  56  -0.520  10.528  13.386
  360    HA   HIS  56           HA       HIS  56  -1.001  13.051  14.800
  361   1HB   HIS  56          2HB       HIS  56   0.617  13.978  13.502
  362   2HB   HIS  56          1HB       HIS  56   1.129  12.311  13.429
  363    HD1  HIS  56           HD1      HIS  56  -0.862  14.814  11.326
  364    HD2  HIS  56           HD2      HIS  56   1.441  11.384  10.898
  365    HE1  HIS  56           HE1      HIS  56  -0.258  14.646   8.868
  366    H    LEU  57           H        LEU  57  -3.045  11.205  13.485
  367    HA   LEU  57           HA       LEU  57  -4.433  13.335  11.935
  368   1HB   LEU  57          2HB       LEU  57  -4.011  10.514  11.337
  369   2HB   LEU  57          1HB       LEU  57  -5.728  10.907  11.401
  370    HG   LEU  57           HG       LEU  57  -5.255  12.870   9.903
  371   1HD1  LEU  57           HD1      LEU  57  -2.542  11.898  10.371
  372   2HD1  LEU  57           HD1      LEU  57  -2.899  12.062   8.652
  373   3HD1  LEU  57           HD1      LEU  57  -3.077  13.449   9.725
  374   1HD2  LEU  57           HD2      LEU  57  -4.965  10.001   9.157
  375   2HD2  LEU  57           HD2      LEU  57  -6.165  11.183   8.633
  376   3HD2  LEU  57           HD2      LEU  57  -4.553  11.186   7.917
  377    H    GLU  58           H        GLU  58  -4.631  10.750  14.314
  378    HA   GLU  58           HA       GLU  58  -6.519  10.110  15.663
  379   1HB   GLU  58          2HB       GLU  58  -5.059  11.263  17.135
  380   2HB   GLU  58          1HB       GLU  58  -5.500  12.834  16.467
  381   1HG   GLU  58          2HG       GLU  58  -7.384  12.984  17.738
  382   2HG   GLU  58          1HG       GLU  58  -7.771  11.275  17.533
  383    H    ASP  59           H        ASP  59  -8.074  10.339  13.723
  384    HA   ASP  59           HA       ASP  59 -10.384  11.828  14.614
  385   1HB   ASP  59          2HB       ASP  59  -8.769  13.523  13.397
  386   2HB   ASP  59          1HB       ASP  59  -9.405  12.766  11.935
  387    H    ARG  60           H        ARG  60 -10.870   9.443  14.370
  388    HA   ARG  60           HA       ARG  60 -11.605   8.815  11.537
  389   1HB   ARG  60          2HB       ARG  60  -9.897   7.360  13.073
  390   2HB   ARG  60          1HB       ARG  60 -11.430   6.593  13.491
  391   1HG   ARG  60          2HG       ARG  60 -11.801   5.840  11.331
  392   2HG   ARG  60          1HG       ARG  60 -10.858   7.141  10.605
  393   1HD   ARG  60          2HD       ARG  60  -8.995   5.876  10.605
  394   2HD   ARG  60          1HD       ARG  60  -9.184   5.515  12.320
  395    HE   ARG  60           HE       ARG  60 -11.031   3.849  11.188
  396   1HH1  ARG  60           HH2      ARG  60  -8.591   4.591   9.125
  397   2HH1  ARG  60           HH2      ARG  60  -7.854   3.024   9.094
  398   1HH2  ARG  60           HH1      ARG  60  -9.719   1.803  11.751
  399   2HH2  ARG  60           HH1      ARG  60  -8.494   1.444  10.581
   
  No H/Q in entry =         399
  Start of MODEL   45
    1   1H    THR  14          1H        THR  14 -18.275   8.230  12.143
    2   2H    THR  14          3H        THR  14 -17.999   6.852  13.092
    3   3H    THR  14          2H        THR  14 -18.277   8.353  13.837
    4    HA   THR  14           HA       THR  14 -16.216   9.219  13.112
    5    HB   THR  14           HB       THR  14 -14.637   7.565  14.107
    6    HG1  THR  14           HG1      THR  14 -15.891   5.641  14.932
    7   1HG2  THR  14          2HG2      THR  14 -16.018   9.011  15.559
    8   2HG2  THR  14          1HG2      THR  14 -17.292   7.792  15.552
    9   3HG2  THR  14          3HG2      THR  14 -15.738   7.437  16.303
   10    H    LEU  15           H        LEU  15 -17.044   6.149  11.570
   11    HA   LEU  15           HA       LEU  15 -16.374   5.286   9.490
   12   1HB   LEU  15          2HB       LEU  15 -16.755   7.713   8.811
   13   2HB   LEU  15          1HB       LEU  15 -15.023   7.957   9.037
   14    HG   LEU  15           HG       LEU  15 -14.666   5.992   7.454
   15   1HD1  LEU  15           HD1      LEU  15 -17.642   6.416   7.191
   16   2HD1  LEU  15           HD1      LEU  15 -16.696   5.721   5.875
   17   3HD1  LEU  15           HD1      LEU  15 -16.767   4.905   7.437
   18   1HD2  LEU  15           HD2      LEU  15 -14.677   8.565   6.925
   19   2HD2  LEU  15           HD2      LEU  15 -14.671   7.412   5.591
   20   3HD2  LEU  15           HD2      LEU  15 -16.175   8.197   6.072
   21    HA   PRO  16           HA       PRO  16 -12.256   4.348  11.178
   22   1HB   PRO  16          2HB       PRO  16 -12.555   1.631  10.896
   23   2HB   PRO  16          1HB       PRO  16 -13.115   2.535  12.313
   24   1HG   PRO  16          2HG       PRO  16 -14.710   1.378  10.076
   25   2HG   PRO  16          1HG       PRO  16 -15.198   1.711  11.746
   26   1HD   PRO  16          2HD       PRO  16 -15.820   3.302   9.486
   27   2HD   PRO  16          1HD       PRO  16 -16.016   3.778  11.186
   28    H    ARG  17           H        ARG  17 -10.377   3.808   9.991
   29    HA   ARG  17           HA       ARG  17  -9.089   3.596   8.036
   30   1HB   ARG  17          2HB       ARG  17 -10.387   1.257   8.436
   31   2HB   ARG  17          1HB       ARG  17 -11.040   1.689   6.856
   32   1HG   ARG  17          2HG       ARG  17  -9.015   0.368   6.543
   33   2HG   ARG  17          1HG       ARG  17  -8.705   2.028   6.032
   34   1HD   ARG  17          2HD       ARG  17  -6.949   0.867   7.558
   35   2HD   ARG  17          1HD       ARG  17  -7.437   2.515   7.954
   36    HE   ARG  17           HE       ARG  17  -8.805   1.614   9.770
   37   1HH1  ARG  17           HH2      ARG  17  -6.021  -0.034   8.994
   38   2HH1  ARG  17           HH2      ARG  17  -6.436  -1.504   9.810
   39   1HH2  ARG  17           HH1      ARG  17  -9.711  -0.548  10.427
   40   2HH2  ARG  17           HH1      ARG  17  -8.525  -1.795  10.621
   41    H    GLY  18           H        GLY  18 -10.953   5.735   7.982
   42   1HA   GLY  18          2HA       GLY  18 -11.361   5.931   5.053
   43   2HA   GLY  18          1HA       GLY  18 -12.771   6.189   6.081
   44    H    SER  19           H        SER  19  -9.613   7.152   7.196
   45    HA   SER  19           HA       SER  19 -10.022   9.947   6.353
   46   1HB   SER  19          2HB       SER  19 -10.022   9.044   9.243
   47   2HB   SER  19          1HB       SER  19  -9.710  10.708   8.759
   48    HG   SER  19           HG       SER  19 -12.033   9.153   8.261
   49    H    ILE  20           H        ILE  20  -8.044   7.568   6.234
   50    HA   ILE  20           HA       ILE  20  -5.641   9.222   6.785
   51    HB   ILE  20           HB       ILE  20  -5.501   6.291   7.339
   52   1HG1  ILE  20          2HG1      ILE  20  -6.665   8.357   9.230
   53   2HG1  ILE  20          1HG1      ILE  20  -7.490   6.934   8.589
   54   1HG2  ILE  20          3HG2      ILE  20  -3.793   8.503   7.550
   55   2HG2  ILE  20          2HG2      ILE  20  -4.250   8.123   9.211
   56   3HG2  ILE  20          1HG2      ILE  20  -3.507   6.887   8.196
   57   1HD1  ILE  20           HD1      ILE  20  -5.018   6.893  10.334
   58   2HD1  ILE  20           HD1      ILE  20  -6.653   6.517  10.874
   59   3HD1  ILE  20           HD1      ILE  20  -5.849   5.474   9.700
   60    H    ASP  21           H        ASP  21  -6.918   6.257   5.327
   61    HA   ASP  21           HA       ASP  21  -4.791   5.679   3.565
   62   1HB   ASP  21          2HB       ASP  21  -7.691   5.084   3.662
   63   2HB   ASP  21          1HB       ASP  21  -6.949   4.964   2.066
   64    H    LYS  22           H        LYS  22  -6.938   8.365   3.547
   65    HA   LYS  22           HA       LYS  22  -6.671   8.925   0.684
   66   1HB   LYS  22          2HB       LYS  22  -8.394   9.755   2.736
   67   2HB   LYS  22          1HB       LYS  22  -7.468  11.195   2.313
   68   1HG   LYS  22          2HG       LYS  22  -8.279   9.705  -0.056
   69   2HG   LYS  22          1HG       LYS  22  -9.666  10.186   0.921
   70   1HD   LYS  22          2HD       LYS  22  -7.453  12.085   0.100
   71   2HD   LYS  22          1HD       LYS  22  -8.972  11.909  -0.780
   72   1HE   LYS  22          2HE       LYS  22  -8.898  12.528   2.177
   73   2HE   LYS  22          1HE       LYS  22  -8.876  13.797   0.953
   74   1HZ   LYS  22          2HZ       LYS  22 -10.934  11.666   1.036
   75   2HZ   LYS  22          1HZ       LYS  22 -11.124  13.167   1.808
   76   3HZ   LYS  22          3HZ       LYS  22 -10.956  13.099   0.122
   77    H    TYR  23           H        TYR  23  -4.288   8.827   2.720
   78    HA   TYR  23           HA       TYR  23  -2.905  11.134   1.532
   79   1HB   TYR  23          2HB       TYR  23  -3.480  10.857   4.479
   80   2HB   TYR  23          1HB       TYR  23  -2.043  11.713   3.919
   81    HD1  TYR  23           HD2      TYR  23  -2.913  13.042   1.492
   82    HD2  TYR  23           HD1      TYR  23  -5.029  12.472   5.185
   83    HE1  TYR  23           HE2      TYR  23  -4.290  15.048   1.012
   84    HE2  TYR  23           HE1      TYR  23  -6.406  14.477   4.708
   85    HH   TYR  23           HH       TYR  23  -7.049  15.710   2.215
   86    H    VAL  24           H        VAL  24  -2.545   8.373   1.109
   87    HA   VAL  24           HA       VAL  24   0.086   7.932   2.460
   88    HB   VAL  24           HB       VAL  24  -1.976   5.871   1.627
   89   1HG1  VAL  24          3HG1      VAL  24   0.880   5.662   2.572
   90   2HG1  VAL  24          2HG1      VAL  24  -0.269   4.359   2.878
   91   3HG1  VAL  24          1HG1      VAL  24   0.102   4.836   1.222
   92   1HG2  VAL  24          2HG2      VAL  24  -1.257   7.226   4.157
   93   2HG2  VAL  24          1HG2      VAL  24  -2.764   6.438   3.693
   94   3HG2  VAL  24          3HG2      VAL  24  -1.407   5.473   4.273
   95    H    LYS  25           H        LYS  25   1.661   8.210   0.963
   96    HA   LYS  25           HA       LYS  25   1.071   7.462  -1.866
   97   1HB   LYS  25          2HB       LYS  25   1.862   9.837  -1.211
   98   2HB   LYS  25          1HB       LYS  25   3.437   9.090  -0.938
   99   1HG   LYS  25          2HG       LYS  25   2.945   8.045  -3.345
  100   2HG   LYS  25          1HG       LYS  25   1.945   9.492  -3.494
  101   1HD   LYS  25          2HD       LYS  25   4.515  10.128  -2.303
  102   2HD   LYS  25          1HD       LYS  25   4.721   9.337  -3.865
  103   1HE   LYS  25          2HE       LYS  25   2.906  10.968  -4.715
  104   2HE   LYS  25          1HE       LYS  25   3.221  11.877  -3.236
  105   1HZ   LYS  25          2HZ       LYS  25   5.700  11.339  -4.211
  106   2HZ   LYS  25          1HZ       LYS  25   4.801  11.663  -5.615
  107   3HZ   LYS  25          3HZ       LYS  25   4.871  12.813  -4.371
  108    H    GLU  26           H        GLU  26   1.456   5.171  -1.220
  109    HA   GLU  26           HA       GLU  26   4.137   4.406  -0.356
  110   1HB   GLU  26          2HB       GLU  26   3.334   2.113  -0.616
  111   2HB   GLU  26          1HB       GLU  26   2.107   3.072   0.213
  112   1HG   GLU  26          2HG       GLU  26   1.723   3.281  -2.635
  113   2HG   GLU  26          1HG       GLU  26   1.798   1.580  -2.174
  114    H    MET  27           H        MET  27   5.634   3.170  -1.663
  115    HA   MET  27           HA       MET  27   5.190   3.341  -4.600
  116   1HB   MET  27          2HB       MET  27   7.076   4.896  -3.061
  117   2HB   MET  27          1HB       MET  27   7.936   3.835  -4.177
  118   1HG   MET  27          2HG       MET  27   7.399   5.190  -5.887
  119   2HG   MET  27          1HG       MET  27   5.687   4.922  -5.561
  120   1HE   MET  27          1HE       MET  27   8.809   6.482  -4.838
  121   2HE   MET  27          3HE       MET  27   8.374   8.091  -5.433
  122   3HE   MET  27          2HE       MET  27   8.551   7.806  -3.703
  123    HA   PRO  28           HA       PRO  28   6.652  -0.827  -4.097
  124   1HB   PRO  28          2HB       PRO  28   6.584  -1.468  -6.773
  125   2HB   PRO  28          1HB       PRO  28   5.150  -1.438  -5.732
  126   1HG   PRO  28          2HG       PRO  28   6.018   0.544  -7.793
  127   2HG   PRO  28          1HG       PRO  28   4.384   0.142  -7.240
  128   1HD   PRO  28          2HD       PRO  28   5.845   2.413  -6.459
  129   2HD   PRO  28          1HD       PRO  28   4.420   1.769  -5.618
  130    H    ASP  29           H        ASP  29   8.151   1.674  -5.968
  131    HA   ASP  29           HA       ASP  29  10.501   0.116  -6.715
  132   1HB   ASP  29          2HB       ASP  29  11.448   2.485  -7.136
  133   2HB   ASP  29          1HB       ASP  29  10.086   1.969  -8.131
  134    H    LYS  30           H        LYS  30   9.383   1.101  -3.799
  135    HA   LYS  30           HA       LYS  30  10.508   0.758  -1.738
  136   1HB   LYS  30          2HB       LYS  30  13.007   1.659  -3.162
  137   2HB   LYS  30          1HB       LYS  30  12.908   0.963  -1.549
  138   1HG   LYS  30          2HG       LYS  30  11.608  -0.873  -3.239
  139   2HG   LYS  30          1HG       LYS  30  13.066  -0.388  -4.106
  140   1HD   LYS  30          2HD       LYS  30  14.482  -1.058  -2.319
  141   2HD   LYS  30          1HD       LYS  30  13.134  -1.166  -1.188
  142   1HE   LYS  30          2HE       LYS  30  13.726  -3.417  -1.839
  143   2HE   LYS  30          1HE       LYS  30  12.191  -3.021  -2.613
  144   1HZ   LYS  30          3HZ       LYS  30  14.065  -2.152  -4.383
  145   2HZ   LYS  30          2HZ       LYS  30  14.733  -3.599  -3.796
  146   3HZ   LYS  30          1HZ       LYS  30  13.186  -3.597  -4.500
  147    H    THR  31           H        THR  31   8.954   2.703  -1.771
  148    HA   THR  31           HA       THR  31  10.367   4.962  -0.602
  149    HB   THR  31           HB       THR  31   8.723   6.003  -2.775
  150    HG1  THR  31           HG1      THR  31  11.160   4.836  -3.547
  151   1HG2  THR  31          1HG2      THR  31  11.027   6.677  -1.221
  152   2HG2  THR  31          3HG2      THR  31  11.458   6.776  -2.929
  153   3HG2  THR  31          2HG2      THR  31  10.100   7.712  -2.306
  154    H    PHE  32           H        PHE  32   8.784   6.665   0.096
  155    HA   PHE  32           HA       PHE  32   5.938   5.997   0.063
  156   1HB   PHE  32          2HB       PHE  32   7.677   5.268   2.344
  157   2HB   PHE  32          1HB       PHE  32   6.221   6.162   2.782
  158    HD1  PHE  32           HD1      PHE  32   7.533   3.073   1.256
  159    HD2  PHE  32           HD2      PHE  32   4.000   5.230   2.403
  160    HE1  PHE  32           HE1      PHE  32   6.180   1.016   0.957
  161    HE2  PHE  32           HE2      PHE  32   2.647   3.173   2.104
  162    HZ   PHE  32           HZ       PHE  32   3.737   1.066   1.379
  163    H    GLU  33           H        GLU  33   4.674   7.807   0.809
  164    HA   GLU  33           HA       GLU  33   6.078  10.121   1.955
  165   1HB   GLU  33          2HB       GLU  33   5.915   9.904  -0.832
  166   2HB   GLU  33          1HB       GLU  33   4.619  11.017  -0.395
  167   1HG   GLU  33          2HG       GLU  33   6.088  12.654   0.093
  168   2HG   GLU  33          1HG       GLU  33   7.028  11.578   1.128
  169    H    CYS  34           H        CYS  34   4.669  10.617   3.557
  170    HA   CYS  34           HA       CYS  34   1.861  10.037   3.522
  171   1HB   CYS  34          2HB       CYS  34   3.323  10.471   5.558
  172   2HB   CYS  34          1HB       CYS  34   3.251  12.183   5.151
  173    H    LEU  35           H        LEU  35   0.494  10.986   2.066
  174    HA   LEU  35           HA       LEU  35   1.108  13.557   0.851
  175   1HB   LEU  35          2HB       LEU  35  -1.427  11.904   0.709
  176   2HB   LEU  35          1HB       LEU  35  -1.000  13.239  -0.361
  177    HG   LEU  35           HG       LEU  35   1.128  11.249  -0.190
  178   1HD1  LEU  35           HD1      LEU  35  -0.910   9.797   0.141
  179   2HD1  LEU  35           HD1      LEU  35  -1.501  10.373  -1.417
  180   3HD1  LEU  35           HD1      LEU  35  -0.005   9.442  -1.330
  181   1HD2  LEU  35           HD2      LEU  35  -0.164  13.033  -2.082
  182   2HD2  LEU  35           HD2      LEU  35   1.455  12.335  -2.141
  183   3HD2  LEU  35           HD2      LEU  35   0.084  11.439  -2.795
  184    H    PHE  36           H        PHE  36   0.077  13.005   3.886
  185    HA   PHE  36           HA       PHE  36  -2.254  14.678   4.088
  186   1HB   PHE  36          2HB       PHE  36  -1.602  13.113   5.876
  187   2HB   PHE  36          1HB       PHE  36  -0.144  14.059   6.174
  188    HD1  PHE  36           HD2      PHE  36  -0.400  16.509   6.864
  189    HD2  PHE  36           HD1      PHE  36  -3.668  13.725   6.853
  190    HE1  PHE  36           HE2      PHE  36  -1.674  17.996   8.385
  191    HE2  PHE  36           HE1      PHE  36  -4.941  15.211   8.371
  192    HZ   PHE  36           HZ       PHE  36  -3.945  17.350   9.136
  193    HA   PRO  37           HA       PRO  37  -0.266  18.585   3.573
  194   1HB   PRO  37          2HB       PRO  37  -2.373  20.141   4.427
  195   2HB   PRO  37          1HB       PRO  37  -2.299  19.383   2.826
  196   1HG   PRO  37          2HG       PRO  37  -3.921  18.594   5.204
  197   2HG   PRO  37          1HG       PRO  37  -4.251  18.332   3.483
  198   1HD   PRO  37          2HD       PRO  37  -3.258  16.392   5.280
  199   2HD   PRO  37          1HD       PRO  37  -3.246  16.268   3.508
  200    H    GLY  38           H        GLY  38   1.322  18.936   5.061
  201   1HA   GLY  38          2HA       GLY  38   1.760  20.458   7.040
  202   2HA   GLY  38          1HA       GLY  38   0.497  19.542   7.871
  203    H    CYS  39           H        CYS  39   1.555  17.105   6.303
  204    HA   CYS  39           HA       CYS  39   3.210  16.056   8.412
  205   1HB   CYS  39          2HB       CYS  39   1.762  14.802   6.646
  206   2HB   CYS  39          1HB       CYS  39   3.188  14.941   5.615
  207    H    THR  40           H        THR  40   5.459  15.131   7.906
  208    HA   THR  40           HA       THR  40   7.032  16.537   5.886
  209    HB   THR  40           HB       THR  40   7.739  17.052   8.782
  210    HG1  THR  40           HG1      THR  40   6.685  19.034   7.126
  211   1HG2  THR  40          2HG2      THR  40   8.958  17.547   6.195
  212   2HG2  THR  40          1HG2      THR  40   8.706  19.054   7.075
  213   3HG2  THR  40          3HG2      THR  40   9.644  17.751   7.806
  214    H    LYS  41           H        LYS  41   6.385  13.769   7.036
  215    HA   LYS  41           HA       LYS  41   9.237  12.897   7.268
  216   1HB   LYS  41          2HB       LYS  41   7.847  12.841   9.454
  217   2HB   LYS  41          1HB       LYS  41   6.991  11.491   8.710
  218   1HG   LYS  41          2HG       LYS  41   8.740  10.076   8.997
  219   2HG   LYS  41          1HG       LYS  41   9.913  11.287   8.485
  220   1HD   LYS  41          2HD       LYS  41  10.148  10.584  10.896
  221   2HD   LYS  41          1HD       LYS  41   9.912  12.317  10.669
  222   1HE   LYS  41          2HE       LYS  41   7.844  12.296  11.635
  223   2HE   LYS  41          1HE       LYS  41   7.433  10.721  10.957
  224   1HZ   LYS  41          2HZ       LYS  41   8.920   9.695  12.584
  225   2HZ   LYS  41          1HZ       LYS  41   9.240  11.221  13.261
  226   3HZ   LYS  41          3HZ       LYS  41   7.675  10.571  13.339
  227    H    THR  42           H        THR  42   9.740  11.482   5.676
  228    HA   THR  42           HA       THR  42   7.502  10.066   4.294
  229    HB   THR  42           HB       THR  42   8.759  10.118   2.338
  230    HG1  THR  42           HG1      THR  42  11.064  10.426   2.434
  231   1HG2  THR  42          3HG2      THR  42   8.371  12.464   3.524
  232   2HG2  THR  42          2HG2      THR  42  10.133  12.479   3.550
  233   3HG2  THR  42          1HG2      THR  42   9.275  12.348   2.015
  234    H    PHE  43           H        PHE  43   8.573   7.899   3.229
  235    HA   PHE  43           HA       PHE  43  10.351   6.534   5.140
  236   1HB   PHE  43          2HB       PHE  43   7.671   5.264   4.602
  237   2HB   PHE  43          1HB       PHE  43   8.827   4.903   5.885
  238    HD1  PHE  43           HD1      PHE  43   6.447   7.484   4.639
  239    HD2  PHE  43           HD2      PHE  43   8.758   6.052   7.966
  240    HE1  PHE  43           HE1      PHE  43   5.290   9.088   6.133
  241    HE2  PHE  43           HE2      PHE  43   7.598   7.657   9.460
  242    HZ   PHE  43           HZ       PHE  43   5.864   9.176   8.544
  243    H    LYS  44           H        LYS  44  10.503   4.094   4.362
  244    HA   LYS  44           HA       LYS  44  10.267   3.974   1.394
  245   1HB   LYS  44          2HB       LYS  44  12.615   4.643   2.219
  246   2HB   LYS  44          1HB       LYS  44  12.729   2.999   2.846
  247   1HG   LYS  44          2HG       LYS  44  11.995   2.278   0.457
  248   2HG   LYS  44          1HG       LYS  44  12.474   3.908  -0.013
  249   1HD   LYS  44          2HD       LYS  44  14.316   2.231  -0.272
  250   2HD   LYS  44          1HD       LYS  44  14.726   3.547   0.829
  251   1HE   LYS  44          2HE       LYS  44  14.762   2.181   2.659
  252   2HE   LYS  44          1HE       LYS  44  13.414   1.203   2.079
  253   1HZ   LYS  44          3HZ       LYS  44  15.493   0.777   0.313
  254   2HZ   LYS  44          2HZ       LYS  44  16.193   0.715   1.860
  255   3HZ   LYS  44          1HZ       LYS  44  14.893  -0.308   1.471
  256    H    ARG  45           H        ARG  45   9.130   2.164   0.917
  257    HA   ARG  45           HA       ARG  45   8.081   0.077   1.264
  258   1HB   ARG  45          2HB       ARG  45  11.033  -0.300   1.570
  259   2HB   ARG  45          1HB       ARG  45   9.980  -1.661   1.958
  260   1HG   ARG  45          2HG       ARG  45   9.237  -0.297  -0.533
  261   2HG   ARG  45          1HG       ARG  45  10.854  -1.003  -0.580
  262   1HD   ARG  45          2HD       ARG  45   8.308  -2.458   0.200
  263   2HD   ARG  45          1HD       ARG  45   9.178  -2.645  -1.323
  264    HE   ARG  45           HE       ARG  45  11.135  -3.282   0.416
  265   1HH1  ARG  45           HH2      ARG  45   8.424  -4.830  -0.706
  266   2HH1  ARG  45           HH2      ARG  45   8.355  -6.031   0.540
  267   1HH2  ARG  45           HH1      ARG  45  10.784  -4.521   2.499
  268   2HH2  ARG  45           HH1      ARG  45   9.691  -5.857   2.354
  269    H    ARG  46           H        ARG  46   6.761   0.538   3.097
  270    HA   ARG  46           HA       ARG  46   7.075  -1.062   5.375
  271   1HB   ARG  46          2HB       ARG  46   8.793   1.234   5.456
  272   2HB   ARG  46          1HB       ARG  46   7.552   1.416   6.695
  273   1HG   ARG  46          2HG       ARG  46   8.305  -0.370   7.906
  274   2HG   ARG  46          1HG       ARG  46   8.751  -1.287   6.466
  275   1HD   ARG  46          2HD       ARG  46  10.504   0.852   6.396
  276   2HD   ARG  46          1HD       ARG  46  10.389   0.497   8.119
  277    HE   ARG  46           HE       ARG  46  10.948  -1.728   6.219
  278   1HH1  ARG  46           HH2      ARG  46  12.531   0.672   7.964
  279   2HH1  ARG  46           HH2      ARG  46  13.582  -0.404   8.823
  280   1HH2  ARG  46           HH1      ARG  46  12.001  -3.275   7.695
  281   2HH2  ARG  46           HH1      ARG  46  13.282  -2.637   8.669
  282    H    TYR  47           H        TYR  47   5.400  -0.623   6.991
  283    HA   TYR  47           HA       TYR  47   3.285   1.189   5.930
  284   1HB   TYR  47          2HB       TYR  47   2.224  -0.535   7.933
  285   2HB   TYR  47          1HB       TYR  47   1.875  -0.552   6.206
  286    HD1  TYR  47           HD2      TYR  47   3.744  -1.685   4.706
  287    HD2  TYR  47           HD1      TYR  47   3.188  -2.423   8.899
  288    HE1  TYR  47           HE2      TYR  47   4.938  -3.850   4.481
  289    HE2  TYR  47           HE1      TYR  47   4.381  -4.588   8.676
  290    HH   TYR  47           HH       TYR  47   5.212  -6.087   7.223
  291    H    ASN  48           H        ASN  48   5.644   1.641   7.876
  292    HA   ASN  48           HA       ASN  48   4.581   2.022  10.482
  293   1HB   ASN  48          2HB       ASN  48   6.715   3.778   9.255
  294   2HB   ASN  48          1HB       ASN  48   6.535   3.306  10.945
  295   1HD2  ASN  48           HD2      ASN  48   7.443  -0.211   9.902
  296   2HD2  ASN  48           HD2      ASN  48   6.011   0.485  10.488
  297    H    ILE  49           H        ILE  49   3.863   3.677   7.602
  298    HA   ILE  49           HA       ILE  49   3.244   6.230   8.881
  299    HB   ILE  49           HB       ILE  49   2.049   5.469   6.250
  300   1HG1  ILE  49          2HG1      ILE  49   4.401   6.460   5.433
  301   2HG1  ILE  49          1HG1      ILE  49   4.943   5.650   6.907
  302   1HG2  ILE  49          3HG2      ILE  49   3.222   7.958   7.512
  303   2HG2  ILE  49          2HG2      ILE  49   2.785   7.872   5.805
  304   3HG2  ILE  49          1HG2      ILE  49   1.546   7.672   7.043
  305   1HD1  ILE  49           HD1      ILE  49   3.232   3.795   5.821
  306   2HD1  ILE  49           HD1      ILE  49   3.989   4.488   4.386
  307   3HD1  ILE  49           HD1      ILE  49   4.987   3.770   5.651
  308    H    ARG  50           H        ARG  50   1.297   3.573   7.473
  309    HA   ARG  50           HA       ARG  50  -1.208   4.579   8.174
  310   1HB   ARG  50          2HB       ARG  50  -2.035   2.307   8.201
  311   2HB   ARG  50          1HB       ARG  50  -0.746   2.359   6.998
  312   1HG   ARG  50          2HG       ARG  50   0.247   0.671   8.111
  313   2HG   ARG  50          1HG       ARG  50   0.552   1.808   9.424
  314   1HD   ARG  50          2HD       ARG  50  -0.625  -0.068  10.371
  315   2HD   ARG  50          1HD       ARG  50  -1.762   1.277  10.298
  316    HE   ARG  50           HE       ARG  50  -3.065  -0.099   8.915
  317   1HH1  ARG  50           HH1      ARG  50  -1.748   0.005   6.431
  318   2HH1  ARG  50           HH1      ARG  50  -1.101  -1.582   6.177
  319   1HH2  ARG  50           HH2      ARG  50  -1.352  -2.505   9.510
  320   2HH2  ARG  50           HH2      ARG  50  -0.878  -3.005   7.921
  321    H    SER  51           H        SER  51   1.340   3.502  10.261
  322    HA   SER  51           HA       SER  51  -0.474   3.478  12.597
  323   1HB   SER  51          2HB       SER  51   1.597   1.919  12.221
  324   2HB   SER  51          1HB       SER  51   2.539   3.324  12.710
  325    HG   SER  51           HG       SER  51   2.024   2.832  14.679
  326    H    HIS  52           H        HIS  52   2.034   5.395  11.066
  327    HA   HIS  52           HA       HIS  52   2.171   7.385  13.157
  328   1HB   HIS  52          2HB       HIS  52   4.090   7.684  11.979
  329   2HB   HIS  52          1HB       HIS  52   3.435   6.869  10.568
  330    HD1  HIS  52           HD1      HIS  52   4.160  10.205  11.962
  331    HD2  HIS  52           HD2      HIS  52   1.945   8.668   8.775
  332    HE1  HIS  52           HE1      HIS  52   3.535  12.177  10.505
  333    H    ILE  53           H        ILE  53   0.627   7.436   9.899
  334    HA   ILE  53           HA       ILE  53  -0.613   9.978  10.390
  335    HB   ILE  53           HB       ILE  53  -2.283   9.025   8.578
  336   1HG1  ILE  53          2HG1      ILE  53   0.113   7.228   8.152
  337   2HG1  ILE  53          1HG1      ILE  53  -1.370   6.667   8.927
  338   1HG2  ILE  53          3HG2      ILE  53  -0.253  10.680   8.461
  339   2HG2  ILE  53          2HG2      ILE  53   0.547   9.327   7.658
  340   3HG2  ILE  53          1HG2      ILE  53  -0.931  10.011   6.977
  341   1HD1  ILE  53           HD1      ILE  53  -2.174   8.057   6.607
  342   2HD1  ILE  53           HD1      ILE  53  -0.819   7.037   6.120
  343   3HD1  ILE  53           HD1      ILE  53  -2.237   6.316   6.884
  344    H    GLN  54           H        GLN  54  -1.264   6.825  11.560
  345    HA   GLN  54           HA       GLN  54  -4.102   7.177  11.904
  346   1HB   GLN  54          2HB       GLN  54  -2.231   5.125  12.435
  347   2HB   GLN  54          1HB       GLN  54  -2.970   5.526  13.987
  348   1HG   GLN  54          2HG       GLN  54  -4.498   3.976  13.160
  349   2HG   GLN  54          1HG       GLN  54  -5.208   5.487  12.592
  350   1HE2  GLN  54          2HE2      GLN  54  -3.615   4.822   9.233
  351   2HE2  GLN  54          1HE2      GLN  54  -3.382   6.017  10.413
  352    H    THR  55           H        THR  55  -1.322   8.357  13.633
  353    HA   THR  55           HA       THR  55  -3.098   9.187  15.851
  354    HB   THR  55           HB       THR  55  -0.726   8.225  16.216
  355    HG1  THR  55           HG1      THR  55  -1.891   9.305  17.832
  356   1HG2  THR  55          3HG2      THR  55  -0.084  11.003  15.198
  357   2HG2  THR  55          2HG2      THR  55   1.040  10.043  16.157
  358   3HG2  THR  55          1HG2      THR  55   0.515   9.466  14.577
  359    H    HIS  56           H        HIS  56  -1.124  10.559  13.259
  360    HA   HIS  56           HA       HIS  56  -2.196  13.219  13.971
  361   1HB   HIS  56          2HB       HIS  56  -0.234  14.049  13.293
  362   2HB   HIS  56          1HB       HIS  56   0.339  12.397  13.241
  363    HD1  HIS  56           HD1      HIS  56  -1.097  15.077  10.957
  364    HD2  HIS  56           HD2      HIS  56   0.987  11.482  10.692
  365    HE1  HIS  56           HE1      HIS  56  -0.115  14.977   8.619
  366    H    LEU  57           H        LEU  57  -3.443  10.796  12.454
  367    HA   LEU  57           HA       LEU  57  -4.840  12.523  10.523
  368   1HB   LEU  57          2HB       LEU  57  -2.800  10.789   9.637
  369   2HB   LEU  57          1HB       LEU  57  -4.320   9.991   9.229
  370    HG   LEU  57           HG       LEU  57  -3.768  12.897   8.606
  371   1HD1  LEU  57           HD1      LEU  57  -3.215  10.383   7.036
  372   2HD1  LEU  57           HD1      LEU  57  -3.565  11.902   6.210
  373   3HD1  LEU  57           HD1      LEU  57  -2.169  11.782   7.281
  374   1HD2  LEU  57           HD2      LEU  57  -6.145  11.697   8.742
  375   2HD2  LEU  57           HD2      LEU  57  -5.784  12.863   7.468
  376   3HD2  LEU  57           HD2      LEU  57  -5.686  11.134   7.135
  377    H    GLU  58           H        GLU  58  -5.086  10.502  13.039
  378    HA   GLU  58           HA       GLU  58  -6.808   8.412  12.472
  379   1HB   GLU  58          2HB       GLU  58  -8.004   9.090  14.660
  380   2HB   GLU  58          1HB       GLU  58  -6.276   8.753  14.754
  381   1HG   GLU  58          2HG       GLU  58  -6.393  11.462  14.097
  382   2HG   GLU  58          1HG       GLU  58  -7.700  11.248  15.261
  383    H    ASP  59           H        ASP  59  -7.908  11.780  13.067
  384    HA   ASP  59           HA       ASP  59  -9.977  11.457  11.002
  385   1HB   ASP  59          2HB       ASP  59 -10.545  11.153  13.851
  386   2HB   ASP  59          1HB       ASP  59 -11.484  12.455  13.121
  387    H    ARG  60           H        ARG  60  -7.618  13.211  11.690
  388    HA   ARG  60           HA       ARG  60  -8.881  15.827  12.207
  389   1HB   ARG  60          2HB       ARG  60  -6.171  14.718  12.264
  390   2HB   ARG  60          1HB       ARG  60  -6.242  16.303  11.494
  391   1HG   ARG  60          2HG       ARG  60  -7.902  16.585  13.705
  392   2HG   ARG  60          1HG       ARG  60  -6.573  15.595  14.311
  393   1HD   ARG  60          2HD       ARG  60  -5.274  17.426  14.414
  394   2HD   ARG  60          1HD       ARG  60  -5.435  17.623  12.670
  395    HE   ARG  60           HE       ARG  60  -7.631  18.871  13.291
  396   1HH1  ARG  60           HH2      ARG  60  -5.917  18.273  16.069
  397   2HH1  ARG  60           HH2      ARG  60  -5.722  19.929  16.538
  398   1HH2  ARG  60           HH1      ARG  60  -6.913  21.194  13.536
  399   2HH2  ARG  60           HH1      ARG  60  -6.286  21.583  15.103
   
  No H/Q in entry =         399
  Start of MODEL   46
    1   1H    THR  14          2H        THR  14 -13.316   8.768  10.360
    2   2H    THR  14          1H        THR  14 -14.898   9.100   9.837
    3   3H    THR  14          3H        THR  14 -14.257   9.928  11.171
    4    HA   THR  14           HA       THR  14 -15.633   8.350  12.144
    5    HB   THR  14           HB       THR  14 -15.306   5.883  11.372
    6    HG1  THR  14           HG1      THR  14 -14.264   7.369   9.196
    7   1HG2  THR  14          3HG2      THR  14 -17.290   7.442  10.965
    8   2HG2  THR  14          2HG2      THR  14 -16.588   7.756   9.378
    9   3HG2  THR  14          1HG2      THR  14 -17.091   6.122   9.813
   10    H    LEU  15           H        LEU  15 -12.776   6.479  11.110
   11    HA   LEU  15           HA       LEU  15 -10.952   7.091  13.087
   12   1HB   LEU  15          2HB       LEU  15 -13.294   5.877  14.250
   13   2HB   LEU  15          1HB       LEU  15 -11.891   4.835  14.497
   14    HG   LEU  15           HG       LEU  15 -11.896   7.805  15.096
   15   1HD1  LEU  15           HD1      LEU  15 -13.040   5.588  16.570
   16   2HD1  LEU  15           HD1      LEU  15 -11.715   6.316  17.478
   17   3HD1  LEU  15           HD1      LEU  15 -13.074   7.309  16.952
   18   1HD2  LEU  15           HD2      LEU  15  -9.951   5.548  15.331
   19   2HD2  LEU  15           HD2      LEU  15  -9.660   7.240  14.929
   20   3HD2  LEU  15           HD2      LEU  15  -9.943   6.768  16.605
   21    HA   PRO  16           HA       PRO  16 -10.206   2.600  11.752
   22   1HB   PRO  16          2HB       PRO  16 -12.264   1.274  10.524
   23   2HB   PRO  16          1HB       PRO  16 -12.017   1.286  12.277
   24   1HG   PRO  16          2HG       PRO  16 -14.063   2.729  10.663
   25   2HG   PRO  16          1HG       PRO  16 -14.131   2.206  12.354
   26   1HD   PRO  16          2HD       PRO  16 -13.601   4.835  11.435
   27   2HD   PRO  16          1HD       PRO  16 -13.386   4.238  13.094
   28    H    ARG  17           H        ARG  17  -8.852   3.142  10.056
   29    HA   ARG  17           HA       ARG  17  -8.194   3.935   7.927
   30   1HB   ARG  17          2HB       ARG  17  -8.802   2.382   6.190
   31   2HB   ARG  17          1HB       ARG  17  -8.655   1.466   7.689
   32   1HG   ARG  17          2HG       ARG  17 -11.352   2.567   7.067
   33   2HG   ARG  17          1HG       ARG  17 -10.787   1.240   6.057
   34   1HD   ARG  17          2HD       ARG  17 -10.711  -0.260   7.820
   35   2HD   ARG  17          1HD       ARG  17 -10.461   1.007   9.022
   36    HE   ARG  17           HE       ARG  17 -12.893   1.597   8.692
   37   1HH1  ARG  17           HH2      ARG  17 -11.704  -1.546   8.838
   38   2HH1  ARG  17           HH2      ARG  17 -13.196  -2.317   8.411
   39   1HH2  ARG  17           HH1      ARG  17 -14.812   0.654   7.637
   40   2HH2  ARG  17           HH1      ARG  17 -14.956  -1.070   7.730
   41    H    GLY  18           H        GLY  18 -10.055   5.721   8.941
   42   1HA   GLY  18          2HA       GLY  18 -12.185   6.121   6.963
   43   2HA   GLY  18          1HA       GLY  18 -11.834   7.172   8.335
   44    H    SER  19           H        SER  19  -8.907   7.236   7.466
   45    HA   SER  19           HA       SER  19  -8.991   8.597   4.876
   46   1HB   SER  19          2HB       SER  19  -8.389  10.194   7.379
   47   2HB   SER  19          1HB       SER  19  -8.291  10.786   5.723
   48    HG   SER  19           HG       SER  19 -10.462  10.426   7.349
   49    H    ILE  20           H        ILE  20  -7.492   6.419   6.322
   50    HA   ILE  20           HA       ILE  20  -4.773   7.462   6.623
   51    HB   ILE  20           HB       ILE  20  -5.537   4.554   6.366
   52   1HG1  ILE  20          2HG1      ILE  20  -7.115   5.454   7.953
   53   2HG1  ILE  20          1HG1      ILE  20  -5.842   4.658   8.882
   54   1HG2  ILE  20          1HG2      ILE  20  -3.119   5.327   6.492
   55   2HG2  ILE  20          3HG2      ILE  20  -3.480   5.930   8.110
   56   3HG2  ILE  20          2HG2      ILE  20  -3.610   4.208   7.764
   57   1HD1  ILE  20           HD1      ILE  20  -4.694   6.915   9.031
   58   2HD1  ILE  20           HD1      ILE  20  -6.164   7.621   8.359
   59   3HD1  ILE  20           HD1      ILE  20  -6.215   6.793   9.917
   60    H    ASP  21           H        ASP  21  -6.395   5.225   4.399
   61    HA   ASP  21           HA       ASP  21  -4.154   5.112   2.566
   62   1HB   ASP  21          2HB       ASP  21  -6.925   4.075   2.662
   63   2HB   ASP  21          1HB       ASP  21  -6.292   4.366   1.042
   64    H    LYS  22           H        LYS  22  -6.576   7.441   3.157
   65    HA   LYS  22           HA       LYS  22  -6.720   8.489   0.438
   66   1HB   LYS  22          2HB       LYS  22  -8.111   8.903   2.877
   67   2HB   LYS  22          1HB       LYS  22  -7.411  10.456   2.422
   68   1HG   LYS  22          2HG       LYS  22  -8.584   8.990   0.160
   69   2HG   LYS  22          1HG       LYS  22  -9.757   9.429   1.403
   70   1HD   LYS  22          2HD       LYS  22  -8.465  11.761   1.280
   71   2HD   LYS  22          1HD       LYS  22  -8.105  11.194  -0.352
   72   1HE   LYS  22          2HE       LYS  22 -10.899  11.260   0.817
   73   2HE   LYS  22          1HE       LYS  22 -10.226  12.552  -0.178
   74   1HZ   LYS  22          3HZ       LYS  22 -10.252   9.741  -1.092
   75   2HZ   LYS  22          2HZ       LYS  22 -11.579  10.771  -1.345
   76   3HZ   LYS  22          1HZ       LYS  22 -10.065  11.149  -2.017
   77    H    TYR  23           H        TYR  23  -4.381   8.596   2.876
   78    HA   TYR  23           HA       TYR  23  -3.035  10.844   1.471
   79   1HB   TYR  23          2HB       TYR  23  -3.628  10.658   4.422
   80   2HB   TYR  23          1HB       TYR  23  -2.246  11.582   3.832
   81    HD1  TYR  23           HD2      TYR  23  -3.247  12.695   1.305
   82    HD2  TYR  23           HD1      TYR  23  -5.222  12.254   5.094
   83    HE1  TYR  23           HE2      TYR  23  -4.746  14.586   0.742
   84    HE2  TYR  23           HE1      TYR  23  -6.722  14.146   4.531
   85    HH   TYR  23           HH       TYR  23  -6.168  16.167   1.754
   86    H    VAL  24           H        VAL  24  -2.518   8.077   1.193
   87    HA   VAL  24           HA       VAL  24   0.158   7.903   2.509
   88    HB   VAL  24           HB       VAL  24  -1.673   6.318   3.400
   89   1HG1  VAL  24          3HG1      VAL  24  -2.542   5.774   1.102
   90   2HG1  VAL  24          2HG1      VAL  24  -1.046   4.889   0.803
   91   3HG1  VAL  24          1HG1      VAL  24  -2.150   4.353   2.070
   92   1HG2  VAL  24          3HG2      VAL  24   1.111   5.970   2.867
   93   2HG2  VAL  24          2HG2      VAL  24   0.154   5.236   4.154
   94   3HG2  VAL  24          1HG2      VAL  24   0.316   4.418   2.601
   95    H    LYS  25           H        LYS  25   1.767   7.805   1.010
   96    HA   LYS  25           HA       LYS  25   1.035   6.915  -1.748
   97   1HB   LYS  25          2HB       LYS  25   2.377   9.238  -0.820
   98   2HB   LYS  25          1HB       LYS  25   3.582   8.247  -1.641
   99   1HG   LYS  25          2HG       LYS  25   2.274   8.169  -3.651
  100   2HG   LYS  25          1HG       LYS  25   0.875   8.875  -2.840
  101   1HD   LYS  25          2HD       LYS  25   1.830  11.007  -2.756
  102   2HD   LYS  25          1HD       LYS  25   3.474  10.382  -2.900
  103   1HE   LYS  25          2HE       LYS  25   3.094   9.794  -5.233
  104   2HE   LYS  25          1HE       LYS  25   1.400  10.271  -5.110
  105   1HZ   LYS  25          2HZ       LYS  25   3.457  12.225  -4.382
  106   2HZ   LYS  25          1HZ       LYS  25   3.198  11.911  -6.031
  107   3HZ   LYS  25          3HZ       LYS  25   1.922  12.473  -5.065
  108    H    GLU  26           H        GLU  26   2.029   5.105  -2.522
  109    HA   GLU  26           HA       GLU  26   4.390   4.074  -0.997
  110   1HB   GLU  26          2HB       GLU  26   2.476   2.636  -0.585
  111   2HB   GLU  26          1HB       GLU  26   2.128   2.541  -2.312
  112   1HG   GLU  26          2HG       GLU  26   4.865   1.747  -1.439
  113   2HG   GLU  26          1HG       GLU  26   3.546   0.648  -1.040
  114    H    MET  27           H        MET  27   6.080   4.632  -2.340
  115    HA   MET  27           HA       MET  27   5.809   4.537  -5.243
  116   1HB   MET  27          2HB       MET  27   8.321   4.829  -3.569
  117   2HB   MET  27          1HB       MET  27   8.147   5.226  -5.279
  118   1HG   MET  27          2HG       MET  27   6.101   6.538  -3.681
  119   2HG   MET  27          1HG       MET  27   7.720   6.959  -3.120
  120   1HE   MET  27          2HE       MET  27   9.301   7.907  -3.997
  121   2HE   MET  27          1HE       MET  27   9.634   8.352  -5.669
  122   3HE   MET  27          3HE       MET  27   8.767   9.470  -4.607
  123    HA   PRO  28           HA       PRO  28   6.889   0.280  -5.633
  124   1HB   PRO  28          2HB       PRO  28   7.469   0.329  -8.326
  125   2HB   PRO  28          1HB       PRO  28   5.821   0.306  -7.673
  126   1HG   PRO  28          2HG       PRO  28   7.345   2.590  -8.855
  127   2HG   PRO  28          1HG       PRO  28   5.597   2.298  -8.832
  128   1HD   PRO  28          2HD       PRO  28   6.955   4.084  -7.143
  129   2HD   PRO  28          1HD       PRO  28   5.324   3.441  -6.855
  130    H    ASP  29           H        ASP  29   8.995   2.910  -6.038
  131    HA   ASP  29           HA       ASP  29  11.350   1.272  -6.697
  132   1HB   ASP  29          2HB       ASP  29  12.580   3.405  -6.555
  133   2HB   ASP  29          1HB       ASP  29  11.165   3.576  -7.595
  134    H    LYS  30           H        LYS  30   9.587   1.288  -4.089
  135    HA   LYS  30           HA       LYS  30  10.071   0.556  -1.922
  136   1HB   LYS  30          2HB       LYS  30  12.945   1.261  -2.500
  137   2HB   LYS  30          1HB       LYS  30  12.347   0.227  -1.211
  138   1HG   LYS  30          2HG       LYS  30  11.293  -0.854  -3.585
  139   2HG   LYS  30          1HG       LYS  30  12.972  -0.459  -3.956
  140   1HD   LYS  30          2HD       LYS  30  13.704  -1.685  -1.939
  141   2HD   LYS  30          1HD       LYS  30  12.026  -2.094  -1.582
  142   1HE   LYS  30          2HE       LYS  30  13.650  -2.957  -3.988
  143   2HE   LYS  30          1HE       LYS  30  12.991  -3.987  -2.718
  144   1HZ   LYS  30          1HZ       LYS  30  10.792  -2.743  -3.562
  145   2HZ   LYS  30          3HZ       LYS  30  11.673  -2.799  -5.010
  146   3HZ   LYS  30          2HZ       LYS  30  11.322  -4.236  -4.175
  147    H    THR  31           H        THR  31   8.913   2.867  -2.088
  148    HA   THR  31           HA       THR  31  10.303   4.525  -0.088
  149    HB   THR  31           HB       THR  31   9.174   6.013  -2.398
  150    HG1  THR  31           HG1      THR  31  11.720   4.771  -2.381
  151   1HG2  THR  31          2HG2      THR  31  10.635   6.584  -0.062
  152   2HG2  THR  31          1HG2      THR  31  11.757   6.835  -1.400
  153   3HG2  THR  31          3HG2      THR  31  10.224   7.707  -1.359
  154    H    PHE  32           H        PHE  32   8.749   6.469   0.454
  155    HA   PHE  32           HA       PHE  32   5.901   5.905   0.030
  156   1HB   PHE  32          2HB       PHE  32   7.321   5.057   2.464
  157   2HB   PHE  32          1HB       PHE  32   5.914   6.070   2.786
  158    HD1  PHE  32           HD1      PHE  32   7.079   2.926   1.221
  159    HD2  PHE  32           HD2      PHE  32   3.673   5.312   2.294
  160    HE1  PHE  32           HE1      PHE  32   5.587   0.999   0.765
  161    HE2  PHE  32           HE2      PHE  32   2.180   3.386   1.837
  162    HZ   PHE  32           HZ       PHE  32   3.136   1.229   1.073
  163    H    GLU  33           H        GLU  33   4.579   7.703   0.780
  164    HA   GLU  33           HA       GLU  33   5.980  10.010   1.962
  165   1HB   GLU  33          2HB       GLU  33   5.691   9.776  -0.851
  166   2HB   GLU  33          1HB       GLU  33   4.530  10.993  -0.319
  167   1HG   GLU  33          2HG       GLU  33   6.245  12.284   0.757
  168   2HG   GLU  33          1HG       GLU  33   7.428  10.991   0.556
  169    H    CYS  34           H        CYS  34   4.589  10.574   3.549
  170    HA   CYS  34           HA       CYS  34   1.782   9.922   3.532
  171   1HB   CYS  34          2HB       CYS  34   3.285  10.355   5.559
  172   2HB   CYS  34          1HB       CYS  34   3.113  12.071   5.198
  173    H    LEU  35           H        LEU  35   0.343  10.904   2.184
  174    HA   LEU  35           HA       LEU  35   0.932  13.498   0.988
  175   1HB   LEU  35          2HB       LEU  35  -1.547  11.762   0.841
  176   2HB   LEU  35          1HB       LEU  35  -1.242  13.185  -0.155
  177    HG   LEU  35           HG       LEU  35   1.076  11.594  -0.369
  178   1HD1  LEU  35           HD1      LEU  35  -1.396  10.005  -0.039
  179   2HD1  LEU  35           HD1      LEU  35  -0.438   9.602  -1.464
  180   3HD1  LEU  35           HD1      LEU  35   0.289   9.516   0.142
  181   1HD2  LEU  35           HD2      LEU  35  -1.209  12.450  -2.088
  182   2HD2  LEU  35           HD2      LEU  35   0.519  12.739  -2.292
  183   3HD2  LEU  35           HD2      LEU  35  -0.168  11.170  -2.711
  184    H    PHE  36           H        PHE  36  -0.127  12.799   4.019
  185    HA   PHE  36           HA       PHE  36  -2.445  14.442   4.318
  186   1HB   PHE  36          2HB       PHE  36  -1.569  12.877   6.072
  187   2HB   PHE  36          1HB       PHE  36  -0.242  14.005   6.359
  188    HD1  PHE  36           HD2      PHE  36  -0.919  16.488   6.867
  189    HD2  PHE  36           HD1      PHE  36  -3.579  13.136   7.248
  190    HE1  PHE  36           HE2      PHE  36  -2.371  17.809   8.385
  191    HE2  PHE  36           HE1      PHE  36  -5.029  14.462   8.764
  192    HZ   PHE  36           HZ       PHE  36  -4.424  16.797   9.331
  193    HA   PRO  37           HA       PRO  37  -0.625  18.401   3.670
  194   1HB   PRO  37          2HB       PRO  37  -2.687  19.906   4.702
  195   2HB   PRO  37          1HB       PRO  37  -2.728  19.149   3.100
  196   1HG   PRO  37          2HG       PRO  37  -4.118  18.315   5.608
  197   2HG   PRO  37          1HG       PRO  37  -4.597  18.060   3.921
  198   1HD   PRO  37          2HD       PRO  37  -3.423  16.121   5.590
  199   2HD   PRO  37          1HD       PRO  37  -3.532  16.027   3.820
  200    H    GLY  38           H        GLY  38   1.055  18.935   4.979
  201   1HA   GLY  38          2HA       GLY  38   1.714  20.379   6.891
  202   2HA   GLY  38          1HA       GLY  38   0.453  19.579   7.836
  203    H    CYS  39           H        CYS  39   1.328  17.016   6.311
  204    HA   CYS  39           HA       CYS  39   2.966  15.941   8.398
  205   1HB   CYS  39          2HB       CYS  39   1.503  14.654   6.747
  206   2HB   CYS  39          1HB       CYS  39   2.807  14.864   5.577
  207    H    THR  40           H        THR  40   5.207  15.047   8.038
  208    HA   THR  40           HA       THR  40   6.833  16.323   5.959
  209    HB   THR  40           HB       THR  40   7.955  16.853   8.633
  210    HG1  THR  40           HG1      THR  40   6.553  18.425   9.168
  211   1HG2  THR  40          3HG2      THR  40   8.422  17.652   6.044
  212   2HG2  THR  40          2HG2      THR  40   7.553  19.038   6.704
  213   3HG2  THR  40          1HG2      THR  40   9.035  18.476   7.477
  214    H    LYS  41           H        LYS  41   6.186  13.595   6.760
  215    HA   LYS  41           HA       LYS  41   8.962  12.665   7.339
  216   1HB   LYS  41          2HB       LYS  41   7.034  12.527   9.244
  217   2HB   LYS  41          1HB       LYS  41   6.755  10.998   8.409
  218   1HG   LYS  41          2HG       LYS  41   8.393  10.287   9.854
  219   2HG   LYS  41          1HG       LYS  41   9.436  10.897   8.568
  220   1HD   LYS  41          2HD       LYS  41  10.253  11.839  10.621
  221   2HD   LYS  41          1HD       LYS  41   9.419  13.137   9.764
  222   1HE   LYS  41          2HE       LYS  41   8.183  13.432  11.627
  223   2HE   LYS  41          1HE       LYS  41   7.411  11.889  11.258
  224   1HZ   LYS  41          3HZ       LYS  41   9.377  10.853  12.443
  225   2HZ   LYS  41          2HZ       LYS  41   9.717  12.409  13.035
  226   3HZ   LYS  41          1HZ       LYS  41   8.241  11.657  13.413
  227    H    THR  42           H        THR  42   9.620  11.050   5.976
  228    HA   THR  42           HA       THR  42   7.541   9.861   4.182
  229    HB   THR  42           HB       THR  42   9.155   9.748   2.457
  230    HG1  THR  42           HG1      THR  42  11.385  10.596   3.248
  231   1HG2  THR  42          3HG2      THR  42   8.550  12.178   3.700
  232   2HG2  THR  42          2HG2      THR  42  10.283  12.257   3.388
  233   3HG2  THR  42          1HG2      THR  42   9.160  11.963   2.060
  234    H    PHE  43           H        PHE  43   8.432   7.626   3.290
  235    HA   PHE  43           HA       PHE  43   9.912   6.152   5.394
  236   1HB   PHE  43          2HB       PHE  43   7.285   5.073   4.375
  237   2HB   PHE  43          1HB       PHE  43   8.207   4.563   5.791
  238    HD1  PHE  43           HD1      PHE  43   6.365   7.488   4.363
  239    HD2  PHE  43           HD2      PHE  43   7.774   5.507   7.905
  240    HE1  PHE  43           HE1      PHE  43   5.125   9.115   5.766
  241    HE2  PHE  43           HE2      PHE  43   6.533   7.132   9.307
  242    HZ   PHE  43           HZ       PHE  43   5.207   8.936   8.238
  243    H    LYS  44           H        LYS  44   9.818   3.635   4.516
  244    HA   LYS  44           HA       LYS  44  10.243   3.656   1.574
  245   1HB   LYS  44          2HB       LYS  44  12.462   4.068   2.319
  246   2HB   LYS  44          1HB       LYS  44  12.298   2.954   3.676
  247   1HG   LYS  44          2HG       LYS  44  12.341   1.046   2.244
  248   2HG   LYS  44          1HG       LYS  44  12.117   2.036   0.801
  249   1HD   LYS  44          2HD       LYS  44  14.462   2.789   2.413
  250   2HD   LYS  44          1HD       LYS  44  14.553   1.165   1.730
  251   1HE   LYS  44          2HE       LYS  44  13.854   2.216  -0.494
  252   2HE   LYS  44          1HE       LYS  44  14.172   3.779   0.259
  253   1HZ   LYS  44          1HZ       LYS  44  16.378   2.364   0.885
  254   2HZ   LYS  44          3HZ       LYS  44  16.021   1.773  -0.665
  255   3HZ   LYS  44          2HZ       LYS  44  16.253   3.439  -0.425
  256    H    ARG  45           H        ARG  45   8.990   2.010   0.848
  257    HA   ARG  45           HA       ARG  45   7.715   0.017   0.921
  258   1HB   ARG  45          2HB       ARG  45  10.511  -0.471   0.897
  259   2HB   ARG  45          1HB       ARG  45   9.794  -1.671   1.972
  260   1HG   ARG  45          2HG       ARG  45   8.015  -1.586  -0.155
  261   2HG   ARG  45          1HG       ARG  45   9.587  -1.426  -0.938
  262   1HD   ARG  45          2HD       ARG  45   9.131  -3.781  -0.768
  263   2HD   ARG  45          1HD       ARG  45  10.360  -3.409   0.439
  264    HE   ARG  45           HE       ARG  45   8.142  -3.181   1.948
  265   1HH1  ARG  45           HH1      ARG  45   6.313  -4.612   0.272
  266   2HH1  ARG  45           HH1      ARG  45   6.589  -6.280   0.645
  267   1HH2  ARG  45           HH2      ARG  45   9.674  -5.714   2.124
  268   2HH2  ARG  45           HH2      ARG  45   8.492  -6.905   1.694
  269    H    ARG  46           H        ARG  46   6.497   0.906   2.868
  270    HA   ARG  46           HA       ARG  46   6.291  -1.103   4.891
  271   1HB   ARG  46          2HB       ARG  46   8.285   0.943   5.364
  272   2HB   ARG  46          1HB       ARG  46   7.012   1.029   6.583
  273   1HG   ARG  46          2HG       ARG  46   7.582  -0.974   7.499
  274   2HG   ARG  46          1HG       ARG  46   7.899  -1.710   5.927
  275   1HD   ARG  46          2HD       ARG  46   9.930   0.134   6.106
  276   2HD   ARG  46          1HD       ARG  46   9.757  -0.381   7.784
  277    HE   ARG  46           HE       ARG  46   9.791  -2.772   6.457
  278   1HH1  ARG  46           HH2      ARG  46  11.970  -0.356   7.332
  279   2HH1  ARG  46           HH2      ARG  46  13.310  -1.008   6.450
  280   1HH2  ARG  46           HH1      ARG  46  11.423  -3.450   4.868
  281   2HH2  ARG  46           HH1      ARG  46  13.001  -2.760   5.056
  282    H    TYR  47           H        TYR  47   4.509  -0.694   6.296
  283    HA   TYR  47           HA       TYR  47   2.798   1.575   5.412
  284   1HB   TYR  47          2HB       TYR  47   1.361  -0.185   7.131
  285   2HB   TYR  47          1HB       TYR  47   1.135   0.049   5.401
  286    HD1  TYR  47           HD2      TYR  47   3.097  -1.126   3.936
  287    HD2  TYR  47           HD1      TYR  47   1.796  -2.351   7.841
  288    HE1  TYR  47           HE2      TYR  47   3.985  -3.405   3.515
  289    HE2  TYR  47           HE1      TYR  47   2.685  -4.630   7.423
  290    HH   TYR  47           HH       TYR  47   3.577  -5.717   4.347
  291    H    ASN  48           H        ASN  48   5.033   1.159   7.650
  292    HA   ASN  48           HA       ASN  48   3.929   1.499  10.181
  293   1HB   ASN  48          2HB       ASN  48   6.429   2.496   8.871
  294   2HB   ASN  48          1HB       ASN  48   5.998   3.158  10.448
  295   1HD2  ASN  48           HD2      ASN  48   6.809  -0.874  10.195
  296   2HD2  ASN  48           HD2      ASN  48   6.202  -0.069   8.830
  297    H    ILE  49           H        ILE  49   3.806   3.690   7.498
  298    HA   ILE  49           HA       ILE  49   3.339   6.107   8.968
  299    HB   ILE  49           HB       ILE  49   1.904   5.701   6.389
  300   1HG1  ILE  49          2HG1      ILE  49   4.319   6.357   5.444
  301   2HG1  ILE  49          1HG1      ILE  49   4.820   5.359   6.814
  302   1HG2  ILE  49          3HG2      ILE  49   3.355   7.864   7.861
  303   2HG2  ILE  49          2HG2      ILE  49   3.266   7.966   6.103
  304   3HG2  ILE  49          1HG2      ILE  49   1.784   7.914   7.059
  305   1HD1  ILE  49           HD1      ILE  49   2.626   4.055   5.555
  306   2HD1  ILE  49           HD1      ILE  49   3.777   4.496   4.292
  307   3HD1  ILE  49           HD1      ILE  49   4.298   3.506   5.656
  308    H    ARG  50           H        ARG  50   1.002   3.877   7.412
  309    HA   ARG  50           HA       ARG  50  -1.359   5.035   8.213
  310   1HB   ARG  50          2HB       ARG  50  -0.521   2.152   8.086
  311   2HB   ARG  50          1HB       ARG  50  -2.103   2.544   8.759
  312   1HG   ARG  50          2HG       ARG  50  -2.937   2.849   6.693
  313   2HG   ARG  50          1HG       ARG  50  -1.709   4.068   6.354
  314   1HD   ARG  50          2HD       ARG  50  -1.340   2.398   4.716
  315   2HD   ARG  50          1HD       ARG  50  -0.116   2.079   5.945
  316    HE   ARG  50           HE       ARG  50  -1.445   0.178   6.701
  317   1HH1  ARG  50           HH1      ARG  50  -4.070   0.096   6.414
  318   2HH1  ARG  50           HH1      ARG  50  -4.459  -0.429   4.811
  319   1HH2  ARG  50           HH2      ARG  50  -1.306   0.252   3.539
  320   2HH2  ARG  50           HH2      ARG  50  -2.894  -0.340   3.183
  321    H    SER  51           H        SER  51   1.017   3.549  10.294
  322    HA   SER  51           HA       SER  51  -0.719   3.712  12.658
  323   1HB   SER  51          2HB       SER  51   1.291   2.078  12.215
  324   2HB   SER  51          1HB       SER  51   2.285   3.442  12.714
  325    HG   SER  51           HG       SER  51   0.533   1.854  14.177
  326    H    HIS  52           H        HIS  52   2.092   5.387  11.320
  327    HA   HIS  52           HA       HIS  52   2.283   7.420  13.301
  328   1HB   HIS  52          2HB       HIS  52   4.173   7.658  12.049
  329   2HB   HIS  52          1HB       HIS  52   3.446   6.826  10.681
  330    HD1  HIS  52           HD1      HIS  52   4.287  10.188  11.971
  331    HD2  HIS  52           HD2      HIS  52   1.973   8.610   8.881
  332    HE1  HIS  52           HE1      HIS  52   3.631  12.138  10.496
  333    H    ILE  53           H        ILE  53   0.755   7.567  10.057
  334    HA   ILE  53           HA       ILE  53  -0.390  10.110  10.381
  335    HB   ILE  53           HB       ILE  53  -2.344   8.815   8.951
  336   1HG1  ILE  53          2HG1      ILE  53   0.266   7.393   8.351
  337   2HG1  ILE  53          1HG1      ILE  53  -1.127   6.650   9.144
  338   1HG2  ILE  53          1HG2      ILE  53  -0.102  10.524   8.470
  339   2HG2  ILE  53          3HG2      ILE  53  -0.213   9.349   7.160
  340   3HG2  ILE  53          2HG2      ILE  53  -1.594  10.378   7.539
  341   1HD1  ILE  53           HD1      ILE  53  -2.511   7.186   7.159
  342   2HD1  ILE  53           HD1      ILE  53  -1.093   7.876   6.372
  343   3HD1  ILE  53           HD1      ILE  53  -1.146   6.153   6.738
  344    H    GLN  54           H        GLN  54  -1.700   6.925  11.293
  345    HA   GLN  54           HA       GLN  54  -4.231   7.650  12.149
  346   1HB   GLN  54          2HB       GLN  54  -2.538   5.446  12.546
  347   2HB   GLN  54          1HB       GLN  54  -2.997   5.972  14.167
  348   1HG   GLN  54          2HG       GLN  54  -4.773   4.562  13.637
  349   2HG   GLN  54          1HG       GLN  54  -5.409   6.121  13.113
  350   1HE2  GLN  54          2HE2      GLN  54  -4.189   5.068   9.630
  351   2HE2  GLN  54          1HE2      GLN  54  -3.519   6.163  10.734
  352    H    THR  55           H        THR  55  -1.186   8.321  13.833
  353    HA   THR  55           HA       THR  55  -2.686   9.391  16.111
  354    HB   THR  55           HB       THR  55  -0.315   8.319  16.178
  355    HG1  THR  55           HG1      THR  55  -1.482   9.599  17.838
  356   1HG2  THR  55          2HG2      THR  55   0.303  10.282  14.397
  357   2HG2  THR  55          1HG2      THR  55   0.783  11.052  15.907
  358   3HG2  THR  55          3HG2      THR  55   1.487   9.505  15.445
  359    H    HIS  56           H        HIS  56  -1.086  10.691  13.247
  360    HA   HIS  56           HA       HIS  56  -1.926  13.364  14.172
  361   1HB   HIS  56          2HB       HIS  56  -0.119  14.227  13.166
  362   2HB   HIS  56          1HB       HIS  56   0.486  12.592  13.239
  363    HD1  HIS  56           HD1      HIS  56  -1.261  14.944  10.801
  364    HD2  HIS  56           HD2      HIS  56   1.105  11.515  10.775
  365    HE1  HIS  56           HE1      HIS  56  -0.348  14.708   8.441
  366    H    LEU  57           H        LEU  57  -3.555  11.142  12.999
  367    HA   LEU  57           HA       LEU  57  -4.802  12.725  10.804
  368   1HB   LEU  57          2HB       LEU  57  -4.292   9.786  11.029
  369   2HB   LEU  57          1HB       LEU  57  -5.811  10.292  10.309
  370    HG   LEU  57           HG       LEU  57  -3.763   9.966   8.744
  371   1HD1  LEU  57           HD1      LEU  57  -5.997  11.114   8.267
  372   2HD1  LEU  57           HD1      LEU  57  -5.164  12.635   8.579
  373   3HD1  LEU  57           HD1      LEU  57  -4.639  11.600   7.253
  374   1HD2  LEU  57           HD2      LEU  57  -2.305  11.394  10.305
  375   2HD2  LEU  57           HD2      LEU  57  -2.218  11.777   8.586
  376   3HD2  LEU  57           HD2      LEU  57  -3.178  12.787   9.667
  377    H    GLU  58           H        GLU  58  -5.171  10.851  13.769
  378    HA   GLU  58           HA       GLU  58  -7.948  10.515  13.894
  379   1HB   GLU  58          2HB       GLU  58  -5.944  10.125  15.659
  380   2HB   GLU  58          1HB       GLU  58  -6.649  11.588  16.347
  381   1HG   GLU  58          2HG       GLU  58  -8.300   9.165  15.596
  382   2HG   GLU  58          1HG       GLU  58  -7.635   9.410  17.211
  383    H    ASP  59           H        ASP  59  -6.379  13.263  15.560
  384    HA   ASP  59           HA       ASP  59  -7.050  15.508  15.725
  385   1HB   ASP  59          2HB       ASP  59  -7.245  15.141  13.157
  386   2HB   ASP  59          1HB       ASP  59  -8.980  15.040  13.458
  387    H    ARG  60           H        ARG  60  -8.352  13.489  17.287
  388    HA   ARG  60           HA       ARG  60 -10.246  13.230  18.650
  389   1HB   ARG  60          2HB       ARG  60  -9.717  15.903  18.549
  390   2HB   ARG  60          1HB       ARG  60 -11.366  15.872  17.923
  391   1HG   ARG  60          2HG       ARG  60 -11.539  16.086  20.310
  392   2HG   ARG  60          1HG       ARG  60 -11.981  14.424  19.913
  393   1HD   ARG  60          2HD       ARG  60  -9.178  14.416  20.237
  394   2HD   ARG  60          1HD       ARG  60  -9.814  15.373  21.574
  395    HE   ARG  60           HE       ARG  60 -10.320  12.504  21.107
  396   1HH1  ARG  60           HH2      ARG  60 -12.813  14.187  21.851
  397   2HH1  ARG  60           HH2      ARG  60 -12.845  13.948  23.567
  398   1HH2  ARG  60           HH1      ARG  60  -9.606  12.722  23.725
  399   2HH2  ARG  60           HH1      ARG  60 -11.030  13.118  24.627
   
  No H/Q in entry =         399
   
  No H/Q in entry =         399