*HEADER    TRANSCRIPTION                           07-JUN-00   1F43              
*TITLE     SOLUTION STRUCTURE OF THE MATA1 HOMEODOMAIN                           
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MATING-TYPE PROTEIN A-1;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: HOMEODOMAIN, C-TERMINAL DOMAIN (66-126);                   
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
*SOURCE   3 ORGANISM_COMMON: YEAST;                                              
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PCW/AL66-126                              
*KEYWDS    HOMEODOMAIN, HELIX-TURN-HELIX                                         
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    J.S.ANDERSON, M.FORMAN, S.MODLESKI, F.W.DAHLQUIST,                    
*AUTHOR   2 S.M.BAXTER                                                           
*REVDAT   1   26-JUL-00 1F43    0                                                

set message=off echo=off end
!! Distance restraints from NOEs.
assign (resid   12 and  name HA   )(resid   12 and  name HG2* ) 4.0 2.2 1.0
assign (resid   12 and  name HA   )(resid   15 and  name HE21 ) 5.0 3.2 1.0
assign (resid   12 and  name HB   )(resid   16 and  name HA   ) 5.0 3.2 1.0
assign (resid   12 and  name HD1* )(resid   15 and  name HE21 ) 4.0 2.2 1.0
assign (resid   12 and  name HD1* )(resid   15 and  name HE22 ) 4.0 2.2 1.0
assign (resid   12 and  name HD1* )(resid   19 and  name HD*  ) 5.0 3.2 1.0
assign (resid   12 and  name HG11 )(resid   15 and  name HE21 ) 4.0 2.2 1.0
assign (resid   12 and  name HG11 )(resid   15 and  name HE22 ) 4.0 2.2 1.0
assign (resid   12 and  name HG12 )(resid   15 and  name HE21 ) 4.0 2.2 1.0
assign (resid   12 and  name HG12 )(resid   15 and  name HE22 ) 4.0 2.2 1.0
assign (resid   12 and  name HG12 )(resid   15 and  name HG2  ) 5.0 3.2 1.0
assign (resid   12 and  name HG2* )(resid   15 and  name HE21 ) 4.0 2.2 1.0
assign (resid   12 and  name HG2* )(resid   15 and  name HE22 ) 5.0 3.2 1.0
assign (resid   12 and  name HG2* )(resid   16 and  name HN   ) 4.0 2.2 1.0
assign (resid   12 and  name HG2* )(resid   17 and  name HN   ) 4.0 2.2 1.0
assign (resid   12 and  name HG2* )(resid   19 and  name HN   ) 5.0 3.2 1.0
assign (resid   12 and  name HN   )(resid   16 and  name HA   ) 5.0 3.2 1.0
assign (resid   13 and  name HA   )(resid   14 and  name HD*  ) 4.0 2.2 1.0
assign (resid   13 and  name HA   )(resid   14 and  name HD2  ) 4.0 2.2 1.0
assign (resid   13 and  name HA   )(resid   15 and  name HN   ) 5.0 3.2 1.0
assign (resid   13 and  name HA   )(resid   16 and  name HN   ) 4.0 2.2 1.0
assign (resid   13 and  name HB1  )(resid   16 and  name HB*  ) 7.0 5.2 1.0
assign (resid   13 and  name HB2  )(resid   14 and  name HB1  ) 5.0 3.2 1.0
assign (resid   13 and  name HB2  )(resid   14 and  name HB2  ) 5.0 3.2 1.0
assign (resid   13 and  name HB2  )(resid   14 and  name HG1  ) 5.0 3.2 1.0
assign (resid   13 and  name HB2  )(resid   14 and  name HG2  ) 5.0 3.2 1.0
assign (resid   13 and  name HB2  )(resid   15 and  name HB1  ) 5.0 3.2 1.0
assign (resid   13 and  name HB2  )(resid   15 and  name HB2  ) 4.0 2.2 1.0
assign (resid   13 and  name HB2  )(resid   15 and  name HG2  ) 5.0 3.2 1.0
assign (resid   13 and  name HB2  )(resid   15 and  name HN   ) 4.0 2.2 1.0
assign (resid   13 and  name HB2  )(resid   16 and  name HB*  ) 7.0 5.2 1.0
assign (resid   13 and  name HB2  )(resid   16 and  name HN   ) 4.0 2.2 1.0
assign (resid   13 and  name HN   )(resid   16 and  name HA   ) 5.0 3.2 1.0
assign (resid   14 and  name HA   )(resid   17 and  name HN   ) 4.0 2.2 1.0
assign (resid   14 and  name HA   )(resid   18 and  name HN   ) 4.0 2.2 1.0
assign (resid   14 and  name HB1  )(resid   14 and  name HG2  ) 3.0 1.2 0.5
assign (resid   14 and  name HB1  )(resid   15 and  name HA   ) 5.0 3.2 1.0
assign (resid   14 and  name HB2  )(resid   14 and  name HD1  ) 4.0 2.2 1.0
assign (resid   14 and  name HB2  )(resid   14 and  name HD2  ) 4.0 2.2 1.0
assign (resid   14 and  name HB2  )(resid   15 and  name HN   ) 4.0 2.2 1.0
assign (resid   14 and  name HB2  )(resid   17 and  name HN   ) 5.0 3.2 1.0
assign (resid   14 and  name HB2  )(resid   18 and  name HA   ) 5.0 3.2 1.0
assign (resid   14 and  name HB2  )(resid   18 and  name HN   ) 4.0 2.2 1.0
assign (resid   14 and  name HD1  )(resid   15 and  name HN   ) 4.0 2.2 1.0
assign (resid   14 and  name HD2  )(resid   14 and  name HG1  ) 3.0 1.2 0.5
assign (resid   14 and  name HD2  )(resid   15 and  name HB2  ) 4.0 2.2 1.0
assign (resid   14 and  name HD2  )(resid   15 and  name HN   ) 3.0 1.2 0.5
assign (resid   14 and  name HG1  )(resid   15 and  name HA   ) 5.0 3.2 1.0
assign (resid   14 and  name HG1  )(resid   15 and  name HN   ) 4.0 2.2 1.0
assign (resid   14 and  name HG2  )(resid   15 and  name HA   ) 4.0 2.2 1.0
assign (resid   14 and  name HG2  )(resid   15 and  name HE21 ) 5.0 3.2 1.0
assign (resid   14 and  name HG2  )(resid   15 and  name HG2  ) 4.0 2.2 1.0
assign (resid   14 and  name HG2  )(resid   15 and  name HN   ) 3.0 1.2 0.5
assign (resid   14 and  name HG2  )(resid   16 and  name HN   ) 5.0 3.2 1.0
assign (resid   14 and  name HG2  )(resid   18 and  name HN   ) 5.0 3.2 1.0
assign (resid   15 and  name HA   )(resid   15 and  name HB1  ) 2.5 0.7 0.2
assign (resid   15 and  name HA   )(resid   15 and  name HG2  ) 3.0 1.2 0.5
assign (resid   15 and  name HA   )(resid   15 and  name HN   ) 3.0 1.2 0.5
assign (resid   15 and  name HA   )(resid   16 and  name HB*  ) 5.0 3.2 1.0
assign (resid   15 and  name HA   )(resid   16 and  name HN   ) 3.0 1.2 0.5
assign (resid   15 and  name HA   )(resid   17 and  name HN   ) 4.0 2.2 1.0
assign (resid   15 and  name HA   )(resid   18 and  name HN   ) 3.0 1.2 0.5
assign (resid   15 and  name HA   )(resid   19 and  name HB2  ) 4.0 2.2 1.0
assign (resid   15 and  name HA   )(resid   21 and  name HB2  ) 5.0 3.2 1.0
assign (resid   15 and  name HA   )(resid   21 and  name HN   ) 5.0 3.2 1.0
assign (resid   15 and  name HB1  )(resid   15 and  name HE22 ) 4.0 2.2 1.0
assign (resid   15 and  name HB1  )(resid   15 and  name HN   ) 4.0 2.2 1.0
assign (resid   15 and  name HB1  )(resid   16 and  name HN   ) 4.0 2.2 1.0
assign (resid   15 and  name HB1  )(resid   17 and  name HN   ) 5.0 3.2 1.0
assign (resid   15 and  name HB1  )(resid   19 and  name HA   ) 5.0 3.2 1.0
assign (resid   15 and  name HB1  )(resid   19 and  name HN   ) 4.0 2.2 1.0
assign (resid   15 and  name HB2  )(resid   15 and  name HE21 ) 3.0 1.2 0.5
assign (resid   15 and  name HB2  )(resid   15 and  name HN   ) 5.0 3.2 1.0
assign (resid   15 and  name HB2  )(resid   16 and  name HA   ) 4.0 2.2 1.0
assign (resid   15 and  name HB2  )(resid   16 and  name HN   ) 3.0 1.2 0.5
assign (resid   15 and  name HB2  )(resid   17 and  name HN   ) 5.0 3.2 1.0
assign (resid   15 and  name HB2  )(resid   43 and  name HA1  ) 5.0 3.2 1.0
assign (resid   15 and  name HE21 )(resid   15 and  name HE22 ) 2.5 0.7 0.2
assign (resid   15 and  name HE21 )(resid   15 and  name HG2  ) 3.0 1.2 0.5
assign (resid   15 and  name HE21 )(resid   16 and  name HA   ) 5.0 3.2 1.0
assign (resid   15 and  name HE21 )(resid   16 and  name HB*  ) 7.0 5.2 1.0
assign (resid   15 and  name HE21 )(resid   18 and  name HB*  ) 7.0 5.2 1.0
assign (resid   15 and  name HE21 )(resid   19 and  name HB1  ) 5.0 3.2 1.0
assign (resid   15 and  name HE21 )(resid   19 and  name HB2  ) 5.0 3.2 1.0
assign (resid   15 and  name HE22 )(resid   15 and  name HG2  ) 4.0 2.2 1.0
assign (resid   15 and  name HG2  )(resid   16 and  name HN   ) 5.0 3.2 1.0
assign (resid   15 and  name HG2  )(resid   19 and  name HA   ) 5.0 3.2 1.0
assign (resid   15 and  name HG2  )(resid   19 and  name HN   ) 5.0 3.2 1.0
assign (resid   15 and  name HN   )(resid   16 and  name HA   ) 5.0 3.2 1.0
assign (resid   15 and  name HN   )(resid   16 and  name HB*  ) 5.0 3.2 1.0
assign (resid   15 and  name HN   )(resid   16 and  name HN   ) 3.0 1.2 0.5
assign (resid   15 and  name HN   )(resid   17 and  name HD1  ) 5.0 3.2 1.0
assign (resid   15 and  name HN   )(resid   18 and  name HB*  ) 4.0 2.2 1.0
assign (resid   15 and  name HN   )(resid   18 and  name HN   ) 5.0 3.2 1.0
assign (resid   16 and  name HA   )(resid   16 and  name HB*  ) 4.0 2.2 1.0
assign (resid   16 and  name HA   )(resid   16 and  name HN   ) 3.0 1.2 0.5
assign (resid   16 and  name HA   )(resid   17 and  name HG2  ) 5.0 3.2 1.0
assign (resid   16 and  name HA   )(resid   17 and  name HN   ) 4.0 2.2 1.0
assign (resid   16 and  name HA   )(resid   18 and  name HB*  ) 7.0 5.2 1.0
assign (resid   16 and  name HA   )(resid   18 and  name HN   ) 4.0 2.2 1.0
assign (resid   16 and  name HB*  )(resid   16 and  name HN   ) 5.0 3.2 1.0
assign (resid   16 and  name HB*  )(resid   18 and  name HN   ) 5.0 3.2 1.0
assign (resid   16 and  name HB*  )(resid   19 and  name HN   ) 5.0 3.2 1.0
assign (resid   16 and  name HB*  )(resid   20 and  name HB1  ) 7.0 5.2 1.0
assign (resid   16 and  name HN   )(resid   17 and  name HB1  ) 5.0 3.2 1.0
assign (resid   16 and  name HN   )(resid   17 and  name HN   ) 3.0 1.2 0.5
assign (resid   16 and  name HN   )(resid   18 and  name HB*  ) 5.0 3.2 1.0
assign (resid   17 and  name HA   )(resid   17 and  name HB1  ) 4.0 2.2 1.0
assign (resid   17 and  name HA   )(resid   17 and  name HB2  ) 3.0 1.2 0.5
assign (resid   17 and  name HA   )(resid   17 and  name HN   ) 3.0 1.2 0.5
assign (resid   17 and  name HA   )(resid   18 and  name HN   ) 4.0 2.2 1.0
assign (resid   17 and  name HA   )(resid   20 and  name HD2* ) 5.0 3.2 1.0
assign (resid   17 and  name HA   )(resid   20 and  name HN   ) 4.0 2.2 1.0
assign (resid   17 and  name HB1  )(resid   17 and  name HN   ) 3.0 1.2 0.5
assign (resid   17 and  name HB1  )(resid   56 and  name HE1  ) 5.0 3.2 1.0
assign (resid   17 and  name HB2  )(resid   17 and  name HN   ) 4.0 2.2 1.0
assign (resid   17 and  name HB2  )(resid   18 and  name HN   ) 4.0 2.2 1.0
assign (resid   17 and  name HB2  )(resid   21 and  name HA   ) 5.0 3.2 1.0
assign (resid   17 and  name HD1  )(resid   17 and  name HN   ) 4.0 2.2 1.0
assign (resid   17 and  name HG1  )(resid   17 and  name HN   ) 5.0 3.2 1.0
assign (resid   17 and  name HG1  )(resid   18 and  name HA   ) 3.0 1.2 0.5
assign (resid   17 and  name HG1  )(resid   18 and  name HN   ) 5.0 3.2 1.0
assign (resid   17 and  name HG1  )(resid   19 and  name HN   ) 5.0 3.2 1.0
assign (resid   17 and  name HG2  )(resid   17 and  name HN   ) 4.0 2.2 1.0
assign (resid   17 and  name HG2  )(resid   21 and  name HN   ) 5.0 3.2 1.0
assign (resid   17 and  name HN   )(resid   18 and  name HA   ) 5.0 3.2 1.0
assign (resid   17 and  name HN   )(resid   18 and  name HB*  ) 4.0 2.2 1.0
assign (resid   17 and  name HN   )(resid   18 and  name HN   ) 3.0 1.2 0.5
assign (resid   17 and  name HN   )(resid   21 and  name HB2  ) 5.0 3.2 1.0
assign (resid   17 and  name HN   )(resid   56 and  name HE1  ) 5.0 3.2 1.0
assign (resid   18 and  name HA   )(resid   18 and  name HN   ) 3.0 1.2 0.5
assign (resid   18 and  name HA   )(resid   19 and  name HN   ) 4.0 2.2 1.0
assign (resid   18 and  name HA   )(resid   21 and  name HN   ) 5.0 3.2 1.0
assign (resid   18 and  name HA   )(resid   22 and  name HB1  ) 5.0 3.2 1.0
assign (resid   18 and  name HA   )(resid   22 and  name HG1  ) 4.0 2.2 1.0
assign (resid   18 and  name HB*  )(resid   18 and  name HN   ) 3.0 1.2 0.5
assign (resid   18 and  name HB*  )(resid   19 and  name HN   ) 4.0 2.2 1.0
assign (resid   18 and  name HB*  )(resid   20 and  name HB1  ) 7.0 5.2 1.0
assign (resid   18 and  name HN   )(resid   19 and  name HA   ) 5.0 3.2 1.0
assign (resid   18 and  name HN   )(resid   19 and  name HN   ) 3.0 1.2 0.5
assign (resid   18 and  name HN   )(resid   20 and  name HN   ) 5.0 3.2 1.0
assign (resid   19 and  name HA   )(resid   19 and  name HN   ) 3.0 1.2 0.5
assign (resid   19 and  name HA   )(resid   20 and  name HN   ) 3.0 1.2 0.5
assign (resid   19 and  name HA   )(resid   21 and  name HN   ) 4.0 2.2 1.0
assign (resid   19 and  name HA   )(resid   22 and  name HN   ) 4.0 2.2 1.0
assign (resid   19 and  name HA   )(resid   23 and  name HN   ) 5.0 3.2 1.0
assign (resid   19 and  name HB1  )(resid   20 and  name HN   ) 4.0 2.2 1.0
assign (resid   19 and  name HB2  )(resid   19 and  name HN   ) 3.0 1.2 0.5
assign (resid   19 and  name HB2  )(resid   22 and  name HN   ) 5.0 3.2 1.0
assign (resid   19 and  name HD*  )(resid   20 and  name HD1* ) 7.0 5.2 1.0
assign (resid   19 and  name HD*  )(resid   24 and  name HN   ) 7.0 5.2 1.0
assign (resid   19 and  name HD*  )(resid   44 and  name HD1* ) 5.0 3.2 1.0
assign (resid   19 and  name HD*  )(resid   44 and  name HG12 ) 4.0 2.2 1.0
assign (resid   19 and  name HD*  )(resid   44 and  name HG2* ) 5.0 3.2 1.0
assign (resid   19 and  name HD1  )(resid   19 and  name HN   ) 5.0 3.2 1.0
assign (resid   19 and  name HD2  )(resid   19 and  name HN   ) 5.0 3.2 1.0
assign (resid   19 and  name HD2  )(resid   20 and  name HN   ) 5.0 3.2 1.0
assign (resid   19 and  name HE*  )(resid   44 and  name HD1* ) 5.0 3.2 1.0
assign (resid   19 and  name HE*  )(resid   44 and  name HG12 ) 4.0 2.2 1.0
assign (resid   19 and  name HE*  )(resid   44 and  name HG2* ) 3.0 1.2 0.5
assign (resid   19 and  name HN   )(resid   20 and  name HA   ) 5.0 3.2 1.0
assign (resid   19 and  name HN   )(resid   20 and  name HB2  ) 5.0 3.2 1.0
assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 3.0 1.2 0.5
assign (resid   19 and  name HN   )(resid   22 and  name HG2  ) 4.0 2.2 1.0
assign (resid   19 and  name HN   )(resid   23 and  name HG2* ) 7.0 5.2 1.0
assign (resid   19 and  name HN   )(resid   23 and  name HN   ) 5.0 3.2 1.0
assign (resid   20 and  name HA   )(resid   20 and  name HD1* ) 5.0 3.2 1.0
assign (resid   20 and  name HA   )(resid   20 and  name HD2* ) 5.0 3.2 1.0
assign (resid   20 and  name HA   )(resid   20 and  name HN   ) 3.0 1.2 0.5
assign (resid   20 and  name HA   )(resid   21 and  name HN   ) 4.0 2.2 1.0
assign (resid   20 and  name HA   )(resid   23 and  name HG2* ) 3.0 1.2 0.5
assign (resid   20 and  name HA   )(resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   20 and  name HA   )(resid   44 and  name HD1* ) 5.0 3.2 1.0
assign (resid   20 and  name HB*  )(resid   44 and  name HD1* ) 7.0 5.2 1.0
assign (resid   20 and  name HB*  )(resid   56 and  name HG*  ) 4.0 2.2 1.0
assign (resid   20 and  name HB1  )(resid   20 and  name HN   ) 5.0 3.2 1.0
assign (resid   20 and  name HB2  )(resid   20 and  name HN   ) 5.0 3.2 1.0
assign (resid   20 and  name HB2  )(resid   21 and  name HN   ) 4.0 2.2 1.0
assign (resid   20 and  name HB2  )(resid   23 and  name HB   ) 5.0 3.2 1.0
assign (resid   20 and  name HB2  )(resid   23 and  name HG1* ) 5.0 3.2 1.0
assign (resid   20 and  name HB2  )(resid   23 and  name HN   ) 5.0 3.2 1.0
assign (resid   20 and  name HB2  )(resid   53 and  name HE*  ) 7.0 5.2 1.0
assign (resid   20 and  name HB2  )(resid   56 and  name HE1  ) 4.0 2.2 1.0
assign (resid   20 and  name HD1* )(resid   20 and  name HN   ) 5.0 3.2 1.0
assign (resid   20 and  name HD1* )(resid   21 and  name HN   ) 7.0 5.2 1.0
assign (resid   20 and  name HD1* )(resid   23 and  name HG1* ) 5.0 3.2 1.0
assign (resid   20 and  name HD1* )(resid   44 and  name HD1* ) 5.0 3.2 1.0
assign (resid   20 and  name HD2* )(resid   20 and  name HN   ) 5.0 3.2 1.0
assign (resid   20 and  name HD2* )(resid   23 and  name HG1* ) 7.0 5.2 1.0
assign (resid   20 and  name HN   )(resid   21 and  name HN   ) 3.0 1.2 0.5
assign (resid   20 and  name HN   )(resid   23 and  name HG2* ) 4.0 2.2 1.0
assign (resid   20 and  name HN   )(resid   42 and  name HB1  ) 5.0 3.2 1.0
assign (resid   20 and  name HN   )(resid   44 and  name HD1* ) 7.0 5.2 1.0
assign (resid   21 and  name HA   )(resid   21 and  name HN   ) 3.0 1.2 0.5
assign (resid   21 and  name HA   )(resid   22 and  name HB1  ) 5.0 3.2 1.0
assign (resid   21 and  name HA   )(resid   22 and  name HN   ) 4.0 2.2 1.0
assign (resid   21 and  name HA   )(resid   24 and  name HB1  ) 4.0 2.2 1.0
assign (resid   21 and  name HA   )(resid   24 and  name HB2  ) 4.0 2.2 1.0
assign (resid   21 and  name HA   )(resid   24 and  name HN   ) 4.0 2.2 1.0
assign (resid   21 and  name HA   )(resid   25 and  name HB1  ) 5.0 3.2 1.0
assign (resid   21 and  name HA   )(resid   25 and  name HD1  ) 5.0 3.2 1.0
assign (resid   21 and  name HA   )(resid   25 and  name HD2  ) 5.0 3.2 1.0
assign (resid   21 and  name HB2  )(resid   21 and  name HN   ) 5.0 3.2 1.0
assign (resid   21 and  name HB2  )(resid   22 and  name HA   ) 5.0 3.2 1.0
assign (resid   21 and  name HB2  )(resid   22 and  name HN   ) 3.0 1.2 0.5
assign (resid   21 and  name HB2  )(resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   21 and  name HG2  )(resid   21 and  name HN   ) 4.0 2.2 1.0
assign (resid   21 and  name HN   )(resid   22 and  name HN   ) 5.0 3.2 1.0
assign (resid   21 and  name HN   )(resid   23 and  name HG1* ) 7.0 5.2 1.0
assign (resid   21 and  name HN   )(resid   23 and  name HG2* ) 5.0 3.2 1.0
assign (resid   21 and  name HN   )(resid   24 and  name HN   ) 4.0 2.2 1.0
assign (resid   21 and  name HN   )(resid   25 and  name HN   ) 5.0 3.2 1.0
assign (resid   21 and  name HN   )(resid   52 and  name HH2  ) 5.0 3.2 1.0
assign (resid   22 and  name HA   )(resid   22 and  name HG2  ) 4.0 2.2 1.0
assign (resid   22 and  name HA   )(resid   22 and  name HN   ) 3.0 1.2 0.5
assign (resid   22 and  name HA   )(resid   23 and  name HB   ) 5.0 3.2 1.0
assign (resid   22 and  name HA   )(resid   23 and  name HG1* ) 7.0 5.2 1.0
assign (resid   22 and  name HA   )(resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   22 and  name HA   )(resid   25 and  name HN   ) 4.0 2.2 1.0
assign (resid   22 and  name HA   )(resid   26 and  name HB2  ) 5.0 3.2 1.0
assign (resid   22 and  name HB2  )(resid   22 and  name HN   ) 4.0 2.2 1.0
assign (resid   22 and  name HB2  )(resid   23 and  name HN   ) 4.0 2.2 1.0
assign (resid   22 and  name HB2  )(resid   25 and  name HN   ) 5.0 3.2 1.0
assign (resid   22 and  name HE21 )(resid   22 and  name HE22 ) 2.5 0.7 0.2
assign (resid   22 and  name HE21 )(resid   23 and  name HG1* ) 5.0 3.2 1.0
assign (resid   22 and  name HG1  )(resid   25 and  name HB1  ) 5.0 3.2 1.0
assign (resid   22 and  name HG2  )(resid   22 and  name HN   ) 3.0 1.2 0.5
assign (resid   22 and  name HG2  )(resid   42 and  name HA   ) 5.0 3.2 1.0
assign (resid   22 and  name HN   )(resid   23 and  name HB   ) 4.0 2.2 1.0
assign (resid   22 and  name HN   )(resid   23 and  name HG2* ) 5.0 3.2 1.0
assign (resid   22 and  name HN   )(resid   23 and  name HN   ) 3.0 1.2 0.5
assign (resid   22 and  name HN   )(resid   24 and  name HB1  ) 5.0 3.2 1.0
assign (resid   22 and  name HN   )(resid   24 and  name HN   ) 4.0 2.2 1.0
assign (resid   22 and  name HN   )(resid   25 and  name HB1  ) 5.0 3.2 1.0
assign (resid   22 and  name HN   )(resid   25 and  name HD1  ) 5.0 3.2 1.0
assign (resid   22 and  name HN   )(resid   25 and  name HD2  ) 5.0 3.2 1.0
assign (resid   22 and  name HN   )(resid   26 and  name HN   ) 5.0 3.2 1.0
assign (resid   23 and  name HA   )(resid   23 and  name HB   ) 3.0 1.2 0.5
assign (resid   23 and  name HA   )(resid   23 and  name HG1* ) 4.0 2.2 1.0
assign (resid   23 and  name HA   )(resid   23 and  name HG2* ) 4.0 2.2 1.0
assign (resid   23 and  name HA   )(resid   23 and  name HN   ) 3.0 1.2 0.5
assign (resid   23 and  name HA   )(resid   24 and  name HN   ) 4.0 2.2 1.0
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assign (resid   50 and  name HN   )(resid   51 and  name HN   ) 3.0 1.2 0.5
assign (resid   50 and  name HN   )(resid   52 and  name HB1  ) 5.0 3.2 1.0
assign (resid   50 and  name HN   )(resid   52 and  name HB2  ) 5.0 3.2 1.0
assign (resid   50 and  name HN   )(resid   53 and  name HB2  ) 4.0 2.2 1.0
assign (resid   50 and  name HN   )(resid   53 and  name HE*  ) 7.0 5.2 1.0
assign (resid   50 and  name HN   )(resid   53 and  name HN   ) 4.0 2.2 1.0
assign (resid   50 and  name HN   )(resid   54 and  name HG12 ) 5.0 3.2 1.0
assign (resid   51 and  name HA   )(resid   51 and  name HN   ) 3.0 1.2 0.5
assign (resid   51 and  name HA   )(resid   52 and  name HN   ) 4.0 2.2 1.0
assign (resid   51 and  name HA   )(resid   54 and  name HN   ) 4.0 2.2 1.0
assign (resid   51 and  name HB   )(resid   51 and  name HN   ) 4.0 2.2 1.0
assign (resid   51 and  name HB   )(resid   52 and  name HA   ) 5.0 3.2 1.0
assign (resid   51 and  name HB   )(resid   52 and  name HN   ) 5.0 3.2 1.0
assign (resid   51 and  name HB   )(resid   55 and  name HN   ) 5.0 3.2 1.0
assign (resid   51 and  name HG1* )(resid   51 and  name HN   ) 4.0 2.2 1.0
assign (resid   51 and  name HG1* )(resid   52 and  name HN   ) 4.0 2.2 1.0
assign (resid   51 and  name HG1* )(resid   53 and  name HN   ) 7.0 5.2 1.0
assign (resid   51 and  name HG1* )(resid   54 and  name HA   ) 7.0 5.2 1.0
assign (resid   51 and  name HG1* )(resid   54 and  name HN   ) 7.0 5.2 1.0
assign (resid   51 and  name HG1* )(resid   55 and  name HN   ) 7.0 5.2 1.0
assign (resid   51 and  name HG2* )(resid   51 and  name HN   ) 3.0 1.2 0.5
assign (resid   51 and  name HG2* )(resid   52 and  name HB1  ) 4.0 2.2 1.0
assign (resid   51 and  name HG2* )(resid   52 and  name HN   ) 5.0 3.2 1.0
assign (resid   51 and  name HG2* )(resid   54 and  name HN   ) 5.0 3.2 1.0
assign (resid   51 and  name HG2* )(resid   56 and  name HN   ) 7.0 5.2 1.0
assign (resid   51 and  name HN   )(resid   52 and  name HA   ) 5.0 3.2 1.0
assign (resid   51 and  name HN   )(resid   52 and  name HN   ) 3.0 1.2 0.5
assign (resid   51 and  name HN   )(resid   53 and  name HN   ) 5.0 3.2 1.0
assign (resid   51 and  name HN   )(resid   54 and  name HB   ) 5.0 3.2 1.0
assign (resid   51 and  name HN   )(resid   54 and  name HG12 ) 5.0 3.2 1.0
assign (resid   51 and  name HN   )(resid   54 and  name HN   ) 4.0 2.2 1.0
assign (resid   52 and  name HA   )(resid   52 and  name HN   ) 3.0 1.2 0.5
assign (resid   52 and  name HA   )(resid   53 and  name HB2  ) 5.0 3.2 1.0
assign (resid   52 and  name HA   )(resid   53 and  name HN   ) 4.0 2.2 1.0
assign (resid   52 and  name HA   )(resid   54 and  name HB   ) 4.0 2.2 1.0
assign (resid   52 and  name HA   )(resid   54 and  name HN   ) 4.0 2.2 1.0
assign (resid   52 and  name HA   )(resid   55 and  name HN   ) 4.0 2.2 1.0
assign (resid   52 and  name HA   )(resid   56 and  name HN   ) 4.0 2.2 1.0
assign (resid   52 and  name HB*  )(resid   52 and  name HE3  ) 3.0 1.2 0.5
assign (resid   52 and  name HB1  )(resid   52 and  name HB2  ) 2.5 0.7 0.2
assign (resid   52 and  name HB1  )(resid   52 and  name HN   ) 3.0 1.2 0.5
assign (resid   52 and  name HB1  )(resid   52 and  name HZ3  ) 4.0 2.2 1.0
assign (resid   52 and  name HB1  )(resid   53 and  name HB1  ) 5.0 3.2 1.0
assign (resid   52 and  name HB1  )(resid   53 and  name HB2  ) 4.0 2.2 1.0
assign (resid   52 and  name HB1  )(resid   53 and  name HN   ) 3.0 1.2 0.5
assign (resid   52 and  name HB1  )(resid   54 and  name HN   ) 4.0 2.2 1.0
assign (resid   52 and  name HB2  )(resid   52 and  name HN   ) 5.0 3.2 1.0
assign (resid   52 and  name HB2  )(resid   53 and  name HN   ) 4.0 2.2 1.0
assign (resid   52 and  name HB2  )(resid   54 and  name HN   ) 5.0 3.2 1.0
assign (resid   52 and  name HD1  )(resid   52 and  name HN   ) 5.0 3.2 1.0
assign (resid   52 and  name HE3  )(resid   53 and  name HA   ) 4.0 2.2 1.0
assign (resid   52 and  name HE3  )(resid   53 and  name HD1  ) 4.0 2.2 1.0
assign (resid   52 and  name HE3  )(resid   53 and  name HN   ) 4.0 2.2 1.0
assign (resid   52 and  name HN   )(resid   53 and  name HA   ) 5.0 3.2 1.0
assign (resid   52 and  name HN   )(resid   53 and  name HB2  ) 4.0 2.2 1.0
assign (resid   52 and  name HN   )(resid   53 and  name HD1  ) 5.0 3.2 1.0
assign (resid   52 and  name HN   )(resid   53 and  name HN   ) 3.0 1.2 0.5
assign (resid   52 and  name HN   )(resid   54 and  name HB   ) 4.0 2.2 1.0
assign (resid   52 and  name HN   )(resid   54 and  name HG12 ) 5.0 3.2 1.0
assign (resid   52 and  name HN   )(resid   55 and  name HN   ) 5.0 3.2 1.0
assign (resid   52 and  name HZ3  )(resid   53 and  name HA   ) 5.0 3.2 1.0
assign (resid   53 and  name HA   )(resid   53 and  name HE*  ) 4.0 2.2 1.0
assign (resid   53 and  name HA   )(resid   53 and  name HN   ) 3.0 1.2 0.5
assign (resid   53 and  name HA   )(resid   54 and  name HB   ) 5.0 3.2 1.0
assign (resid   53 and  name HA   )(resid   54 and  name HG12 ) 5.0 3.2 1.0
assign (resid   53 and  name HA   )(resid   54 and  name HN   ) 4.0 2.2 1.0
assign (resid   53 and  name HA   )(resid   56 and  name HB1  ) 3.0 1.2 0.5
assign (resid   53 and  name HA   )(resid   56 and  name HN   ) 3.0 1.2 0.5
assign (resid   53 and  name HB1  )(resid   53 and  name HD*  ) 3.0 1.2 0.5
assign (resid   53 and  name HB1  )(resid   53 and  name HN   ) 4.0 2.2 1.0
assign (resid   53 and  name HB1  )(resid   54 and  name HN   ) 5.0 3.2 1.0
assign (resid   53 and  name HB2  )(resid   53 and  name HN   ) 3.0 1.2 0.5
assign (resid   53 and  name HB2  )(resid   54 and  name HN   ) 3.0 1.2 0.5
assign (resid   53 and  name HD*  )(resid   57 and  name HG2  ) 7.0 5.2 1.0
assign (resid   53 and  name HD1  )(resid   53 and  name HN   ) 4.0 2.2 1.0
assign (resid   53 and  name HE*  )(resid   53 and  name HN   ) 5.0 3.2 1.0
assign (resid   53 and  name HE*  )(resid   56 and  name HB1  ) 7.0 5.2 1.0
assign (resid   53 and  name HN   )(resid   54 and  name HN   ) 3.0 1.2 0.5
assign (resid   53 and  name HN   )(resid   55 and  name HN   ) 5.0 3.2 1.0
assign (resid   53 and  name HN   )(resid   56 and  name HB1  ) 5.0 3.2 1.0
assign (resid   53 and  name HN   )(resid   56 and  name HN   ) 4.0 2.2 1.0
assign (resid   53 and  name HN   )(resid   57 and  name HB2  ) 5.0 3.2 1.0
assign (resid   54 and  name HA   )(resid   54 and  name HB   ) 3.0 1.2 0.5
assign (resid   54 and  name HA   )(resid   54 and  name HG12 ) 4.0 2.2 1.0
assign (resid   54 and  name HA   )(resid   54 and  name HG2* ) 5.0 3.2 1.0
assign (resid   54 and  name HA   )(resid   54 and  name HN   ) 3.0 1.2 0.5
assign (resid   54 and  name HA   )(resid   55 and  name HN   ) 4.0 2.2 1.0
assign (resid   54 and  name HA   )(resid   57 and  name HN   ) 5.0 3.2 1.0
assign (resid   54 and  name HA   )(resid   58 and  name HB1  ) 5.0 3.2 1.0
assign (resid   54 and  name HA   )(resid   58 and  name HB2  ) 4.0 2.2 1.0
assign (resid   54 and  name HA   )(resid   60 and  name HN   ) 5.0 3.2 1.0
assign (resid   54 and  name HB   )(resid   54 and  name HN   ) 3.0 1.2 0.5
assign (resid   54 and  name HB   )(resid   55 and  name HA   ) 4.0 2.2 1.0
assign (resid   54 and  name HB   )(resid   55 and  name HD21 ) 5.0 3.2 1.0
assign (resid   54 and  name HB   )(resid   55 and  name HD22 ) 5.0 3.2 1.0
assign (resid   54 and  name HB   )(resid   55 and  name HN   ) 4.0 2.2 1.0
assign (resid   54 and  name HB   )(resid   56 and  name HN   ) 4.0 2.2 1.0
assign (resid   54 and  name HB   )(resid   58 and  name HA   ) 5.0 3.2 1.0
assign (resid   54 and  name HG12 )(resid   54 and  name HN   ) 3.0 1.2 0.5
assign (resid   54 and  name HG2* )(resid   54 and  name HN   ) 4.0 2.2 1.0
assign (resid   54 and  name HG2* )(resid   55 and  name HN   ) 4.0 2.2 1.0
assign (resid   54 and  name HN   )(resid   55 and  name HN   ) 3.0 1.2 0.5
assign (resid   55 and  name HA   )(resid   55 and  name HB1  ) 2.5 0.7 0.2
assign (resid   55 and  name HA   )(resid   55 and  name HB2  ) 3.0 1.2 0.5
assign (resid   55 and  name HA   )(resid   55 and  name HN   ) 3.0 1.2 0.5
assign (resid   55 and  name HA   )(resid   56 and  name HN   ) 4.0 2.2 1.0
assign (resid   55 and  name HA   )(resid   57 and  name HN   ) 4.0 2.2 1.0
assign (resid   55 and  name HA   )(resid   58 and  name HG1  ) 4.0 2.2 1.0
assign (resid   55 and  name HA   )(resid   58 and  name HG2  ) 5.0 3.2 1.0
assign (resid   55 and  name HA   )(resid   58 and  name HN   ) 4.0 2.2 1.0
assign (resid   55 and  name HB1  )(resid   55 and  name HD22 ) 4.0 2.2 1.0
assign (resid   55 and  name HB1  )(resid   55 and  name HN   ) 4.0 2.2 1.0
assign (resid   55 and  name HB1  )(resid   56 and  name HN   ) 4.0 2.2 1.0
assign (resid   55 and  name HB1  )(resid   58 and  name HN   ) 5.0 3.2 1.0
assign (resid   55 and  name HB2  )(resid   55 and  name HD21 ) 3.0 1.2 0.5
assign (resid   55 and  name HB2  )(resid   55 and  name HN   ) 5.0 3.2 1.0
assign (resid   55 and  name HB2  )(resid   56 and  name HN   ) 3.0 1.2 0.5
assign (resid   55 and  name HD21 )(resid   55 and  name HD22 ) 2.5 0.7 0.2
assign (resid   55 and  name HD22 )(resid   55 and  name HN   ) 5.0 3.2 1.0
assign (resid   55 and  name HN   )(resid   56 and  name HN   ) 4.0 2.2 1.0
assign (resid   55 and  name HN   )(resid   58 and  name HA   ) 5.0 3.2 1.0
assign (resid   55 and  name HN   )(resid   58 and  name HB2  ) 5.0 3.2 1.0
assign (resid   55 and  name HN   )(resid   58 and  name HN   ) 4.0 2.2 1.0
assign (resid   56 and  name HA   )(resid   56 and  name HN   ) 3.0 1.2 0.5
assign (resid   56 and  name HA   )(resid   57 and  name HN   ) 5.0 3.2 1.0
assign (resid   56 and  name HN   )(resid   57 and  name HN   ) 3.0 1.2 0.5
assign (resid   56 and  name HN   )(resid   58 and  name HA   ) 5.0 3.2 1.0
assign (resid   56 and  name HN   )(resid   58 and  name HG1  ) 5.0 3.2 1.0
assign (resid   57 and  name HA   )(resid   57 and  name HB1  ) 3.0 1.2 0.5
assign (resid   57 and  name HA   )(resid   57 and  name HG2  ) 3.0 1.2 0.5
assign (resid   57 and  name HA   )(resid   57 and  name HN   ) 3.0 1.2 0.5
assign (resid   57 and  name HA   )(resid   58 and  name HB1  ) 5.0 3.2 1.0
assign (resid   57 and  name HA   )(resid   58 and  name HB2  ) 5.0 3.2 1.0
assign (resid   57 and  name HA   )(resid   58 and  name HN   ) 4.0 2.2 1.0
assign (resid   57 and  name HA   )(resid   59 and  name HG1  ) 5.0 3.2 1.0
assign (resid   57 and  name HA   )(resid   59 and  name HG2  ) 5.0 3.2 1.0
assign (resid   57 and  name HA   )(resid   59 and  name HN   ) 5.0 3.2 1.0
assign (resid   57 and  name HB1  )(resid   57 and  name HN   ) 3.0 1.2 0.5
assign (resid   57 and  name HB2  )(resid   57 and  name HN   ) 3.0 1.2 0.5
assign (resid   57 and  name HB2  )(resid   58 and  name HN   ) 4.0 2.2 1.0
assign (resid   57 and  name HG1  )(resid   57 and  name HN   ) 4.0 2.2 1.0
assign (resid   57 and  name HG1  )(resid   59 and  name HA   ) 5.0 3.2 1.0
assign (resid   57 and  name HG2  )(resid   57 and  name HN   ) 4.0 2.2 1.0
assign (resid   57 and  name HG2  )(resid   58 and  name HA   ) 4.0 2.2 1.0
assign (resid   57 and  name HG2  )(resid   58 and  name HN   ) 4.0 2.2 1.0
assign (resid   57 and  name HG2  )(resid   59 and  name HA   ) 4.0 2.2 1.0
assign (resid   57 and  name HG2  )(resid   59 and  name HN   ) 4.0 2.2 1.0
assign (resid   57 and  name HN   )(resid   58 and  name HA   ) 4.0 2.2 1.0
assign (resid   57 and  name HN   )(resid   58 and  name HB1  ) 5.0 3.2 1.0
assign (resid   57 and  name HN   )(resid   58 and  name HB2  ) 4.0 2.2 1.0
assign (resid   57 and  name HN   )(resid   58 and  name HN   ) 3.0 1.2 0.5
assign (resid   57 and  name HN   )(resid   59 and  name HG2  ) 5.0 3.2 1.0
assign (resid   58 and  name HA   )(resid   58 and  name HN   ) 3.0 1.2 0.5
assign (resid   58 and  name HA   )(resid   59 and  name HB2  ) 4.0 2.2 1.0
assign (resid   58 and  name HA   )(resid   59 and  name HG1  ) 5.0 3.2 1.0
assign (resid   58 and  name HA   )(resid   59 and  name HG2  ) 4.0 2.2 1.0
assign (resid   58 and  name HA   )(resid   60 and  name HN   ) 4.0 2.2 1.0
assign (resid   58 and  name HB1  )(resid   58 and  name HN   ) 3.0 1.2 0.5
assign (resid   58 and  name HB2  )(resid   58 and  name HN   ) 3.0 1.2 0.5
assign (resid   58 and  name HG1  )(resid   59 and  name HN   ) 5.0 3.2 1.0
assign (resid   58 and  name HG2  )(resid   59 and  name HA   ) 5.0 3.2 1.0
assign (resid   58 and  name HN   )(resid   59 and  name HA   ) 5.0 3.2 1.0
assign (resid   59 and  name HA   )(resid   59 and  name HG1  ) 4.0 2.2 1.0
assign (resid   59 and  name HA   )(resid   59 and  name HG2  ) 3.0 1.2 0.5
assign (resid   59 and  name HA   )(resid   59 and  name HN   ) 3.0 1.2 0.5
assign (resid   59 and  name HA   )(resid   60 and  name HN   ) 4.0 2.2 1.0
assign (resid   59 and  name HB1  )(resid   59 and  name HN   ) 4.0 2.2 1.0
assign (resid   59 and  name HB1  )(resid   60 and  name HB1  ) 5.0 3.2 1.0
assign (resid   59 and  name HB1  )(resid   60 and  name HB2  ) 5.0 3.2 1.0
assign (resid   59 and  name HB1  )(resid   60 and  name HN   ) 3.0 1.2 0.5
assign (resid   59 and  name HB2  )(resid   59 and  name HN   ) 5.0 3.2 1.0
assign (resid   59 and  name HB2  )(resid   60 and  name HN   ) 3.0 1.2 0.5
assign (resid   59 and  name HD1  )(resid   59 and  name HN   ) 4.0 2.2 1.0
assign (resid   59 and  name HG1  )(resid   59 and  name HN   ) 3.0 1.2 0.5
assign (resid   59 and  name HN   )(resid   60 and  name HN   ) 5.0 3.2 1.0
assign (resid   60 and  name HA   )(resid   60 and  name HN   ) 3.0 1.2 0.5
assign (resid   60 and  name HB1  )(resid   60 and  name HN   ) 3.0 1.2 0.5
assign (resid   60 and  name HB2  )(resid   60 and  name HN   ) 2.5 0.7 0.2
assign (resid   19 and  name HN   )(resid   15 and  name O    ) 2.3 0.8 0.2
assign (resid   19 and  name N    )(resid   15 and  name O    ) 3.3 0.8 0.2
assign (resid   20 and  name HN   )(resid   16 and  name O    ) 2.3 0.8 0.2
assign (resid   20 and  name N    )(resid   16 and  name O    ) 3.3 0.8 0.2
assign (resid   21 and  name HN   )(resid   17 and  name O    ) 2.3 0.8 0.2
assign (resid   21 and  name N    )(resid   17 and  name O    ) 3.3 0.8 0.2
assign (resid   22 and  name HN   )(resid   18 and  name O    ) 2.3 0.8 0.2
assign (resid   22 and  name N    )(resid   18 and  name O    ) 3.3 0.8 0.2
assign (resid   23 and  name HN   )(resid   19 and  name O    ) 2.3 0.8 0.2
assign (resid   23 and  name N    )(resid   19 and  name O    ) 3.3 0.8 0.2
assign (resid   24 and  name HN   )(resid   20 and  name O    ) 2.3 0.8 0.2
assign (resid   24 and  name N    )(resid   20 and  name O    ) 3.3 0.8 0.2
assign (resid   25 and  name HN   )(resid   21 and  name O    ) 2.3 0.8 0.2
assign (resid   25 and  name N    )(resid   21 and  name O    ) 3.3 0.8 0.2
assign (resid   26 and  name HN   )(resid   22 and  name O    ) 2.3 0.8 0.2
assign (resid   26 and  name N    )(resid   22 and  name O    ) 3.3 0.8 0.2
assign (resid   36 and  name HN   )(resid   32 and  name O    ) 2.3 0.8 0.2
assign (resid   36 and  name N    )(resid   32 and  name O    ) 3.3 0.8 0.2
assign (resid   37 and  name HN   )(resid   33 and  name O    ) 2.3 0.8 0.2
assign (resid   37 and  name N    )(resid   33 and  name O    ) 3.3 0.8 0.2
assign (resid   38 and  name HN   )(resid   34 and  name O    ) 2.3 0.8 0.2
assign (resid   38 and  name N    )(resid   34 and  name O    ) 3.3 0.8 0.2
assign (resid   39 and  name HN   )(resid   35 and  name O    ) 2.3 0.8 0.2
assign (resid   39 and  name N    )(resid   35 and  name O    ) 3.3 0.8 0.2
assign (resid   40 and  name HN   )(resid   36 and  name O    ) 2.3 0.8 0.2
assign (resid   40 and  name N    )(resid   36 and  name O    ) 3.3 0.8 0.2
assign (resid   51 and  name HN   )(resid   47 and  name O    ) 2.3 0.8 0.2
assign (resid   51 and  name N    )(resid   47 and  name O    ) 3.3 0.8 0.2
assign (resid   52 and  name HN   )(resid   48 and  name O    ) 2.3 0.8 0.2
assign (resid   52 and  name N    )(resid   48 and  name O    ) 3.3 0.8 0.2
assign (resid   53 and  name HN   )(resid   49 and  name O    ) 2.3 0.8 0.2
assign (resid   53 and  name N    )(resid   49 and  name O    ) 3.3 0.8 0.2
assign (resid   54 and  name HN   )(resid   50 and  name O    ) 2.3 0.8 0.2
assign (resid   54 and  name N    )(resid   50 and  name O    ) 3.3 0.8 0.2
assign (resid   55 and  name HN   )(resid   51 and  name O    ) 2.3 0.8 0.2
assign (resid   55 and  name N    )(resid   51 and  name O    ) 3.3 0.8 0.2
assign (resid   56 and  name HN   )(resid   52 and  name O    ) 2.3 0.8 0.2
assign (resid   56 and  name N    )(resid   52 and  name O    ) 3.3 0.8 0.2
assign (resid   57 and  name HN   )(resid   53 and  name O    ) 2.3 0.8 0.2
assign (resid   57 and  name N    )(resid   53 and  name O    ) 3.3 0.8 0.2
assign (resid   58 and  name HN   )(resid   54 and  name O    ) 2.3 0.8 0.2
assign (resid   58 and  name N    )(resid   54 and  name O    ) 3.3 0.8 0.2
set message=on echo=on end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    LYS  -3           HT1      LYS  -3  -3.675  10.916  11.084
    2   2H    LYS  -3           HT2      LYS  -3  -4.098  10.775  12.742
    3   3H    LYS  -3           HT3      LYS  -3  -2.547  10.271  12.203
    4    HA   LYS  -3           HA       LYS  -3  -3.630  12.982  12.453
    5   1HB   LYS  -3           HB2      LYS  -3  -1.867  11.253  13.928
    6   2HB   LYS  -3           HB1      LYS  -3  -0.975  12.667  13.384
    7   1HG   LYS  -3           HG2      LYS  -3  -1.860  13.102  15.560
    8   2HG   LYS  -3           HG1      LYS  -3  -2.726  14.101  14.391
    9   1HD   LYS  -3           HD2      LYS  -3  -4.482  13.292  15.622
   10   2HD   LYS  -3           HD1      LYS  -3  -4.382  12.056  14.366
   11   1HE   LYS  -3           HE2      LYS  -3  -4.620  11.064  16.591
   12   2HE   LYS  -3           HE1      LYS  -3  -3.081  10.632  15.849
   13   1HZ   LYS  -3           HZ1      LYS  -3  -3.150  12.990  17.580
   14   2HZ   LYS  -3           HZ2      LYS  -3  -1.909  11.867  17.335
   15   3HZ   LYS  -3           HZ3      LYS  -3  -3.227  11.469  18.319
   16    H    LYS  -2           HN       LYS  -2  -0.955  11.066  11.101
   17    HA   LYS  -2           HA       LYS  -2   0.472  11.446   9.372
   18   1HB   LYS  -2           HB2      LYS  -2  -1.832  11.892   8.280
   19   2HB   LYS  -2           HB1      LYS  -2  -1.382  13.590   8.372
   20   1HG   LYS  -2           HG2      LYS  -2   0.497  11.641   7.124
   21   2HG   LYS  -2           HG1      LYS  -2  -0.904  12.214   6.216
   22   1HD   LYS  -2           HD2      LYS  -2  -0.161  14.554   6.731
   23   2HD   LYS  -2           HD1      LYS  -2   1.321  13.868   7.398
   24   1HE   LYS  -2           HE2      LYS  -2   0.591  12.932   4.704
   25   2HE   LYS  -2           HE1      LYS  -2   1.021  14.638   4.821
   26   1HZ   LYS  -2           HZ1      LYS  -2   2.674  12.267   5.374
   27   2HZ   LYS  -2           HZ2      LYS  -2   3.033  13.734   6.139
   28   3HZ   LYS  -2           HZ3      LYS  -2   3.043  13.636   4.450
   29    H    GLU  -1           HN       GLU  -1   2.293  12.321  10.154
   30    HA   GLU  -1           HA       GLU  -1   2.332  15.158  10.869
   31   1HB   GLU  -1           HB2      GLU  -1   3.644  12.822  11.866
   32   2HB   GLU  -1           HB1      GLU  -1   4.868  13.950  11.301
   33   1HG   GLU  -1           HG2      GLU  -1   2.961  15.435  12.764
   34   2HG   GLU  -1           HG1      GLU  -1   3.358  14.001  13.708
   35    H    LYS   0           HN       LYS   0   4.805  13.066   9.400
   36    HA   LYS   0           HA       LYS   0   4.870  14.521   6.947
   37   1HB   LYS   0           HB2      LYS   0   6.298  15.667   9.085
   38   2HB   LYS   0           HB1      LYS   0   7.506  14.906   8.058
   39   1HG   LYS   0           HG2      LYS   0   7.135  16.328   6.326
   40   2HG   LYS   0           HG1      LYS   0   5.433  16.560   6.735
   41   1HD   LYS   0           HD2      LYS   0   7.697  17.656   8.393
   42   2HD   LYS   0           HD1      LYS   0   6.925  18.562   7.090
   43   1HE   LYS   0           HE2      LYS   0   5.101  17.355   9.065
   44   2HE   LYS   0           HE1      LYS   0   6.134  18.648   9.673
   45   1HZ   LYS   0           HZ1      LYS   0   3.812  19.122   8.543
   46   2HZ   LYS   0           HZ2      LYS   0   4.756  19.113   7.140
   47   3HZ   LYS   0           HZ3      LYS   0   5.112  20.193   8.392
   48    H    SER   1           HN       SER   1   5.008  12.712   5.757
   49    HA   SER   1           HA       SER   1   7.487  11.279   5.696
   50   1HB   SER   1           HB2      SER   1   5.224   9.403   6.083
   51   2HB   SER   1           HB1      SER   1   6.909   9.257   6.584
   52    HG   SER   1           HG       SER   1   4.799  10.037   8.026
   53    HA   PRO   2           HA       PRO   2   5.411  11.591   1.615
   54   1HB   PRO   2           HB2      PRO   2   7.722  11.792   0.198
   55   2HB   PRO   2           HB1      PRO   2   6.940  13.178   0.965
   56   1HG   PRO   2           HG2      PRO   2   9.249  11.535   1.928
   57   2HG   PRO   2           HG1      PRO   2   9.040  13.296   1.957
   58   1HD   PRO   2           HD2      PRO   2   8.636  11.753   4.140
   59   2HD   PRO   2           HD1      PRO   2   7.702  13.233   3.835
   60    H    LYS   3           HN       LYS   3   8.400   9.758   2.268
   61    HA   LYS   3           HA       LYS   3   9.082   7.676   1.650
   62   1HB   LYS   3           HB2      LYS   3   6.150   7.378   2.106
   63   2HB   LYS   3           HB1      LYS   3   7.019   6.031   1.384
   64   1HG   LYS   3           HG2      LYS   3   8.657   6.526   3.428
   65   2HG   LYS   3           HG1      LYS   3   7.149   7.125   4.125
   66   1HD   LYS   3           HD2      LYS   3   6.084   4.959   3.553
   67   2HD   LYS   3           HD1      LYS   3   7.653   4.372   2.998
   68   1HE   LYS   3           HE2      LYS   3   7.567   5.533   5.713
   69   2HE   LYS   3           HE1      LYS   3   6.726   4.000   5.492
   70   1HZ   LYS   3           HZ1      LYS   3   9.179   3.947   6.147
   71   2HZ   LYS   3           HZ2      LYS   3   9.496   4.365   4.539
   72   3HZ   LYS   3           HZ3      LYS   3   8.679   2.927   4.893
   73    H    GLY   4           HN       GLY   4   8.575   9.622  -0.454
   74   1HA   GLY   4           HA2      GLY   4   7.896   7.788  -2.672
   75   2HA   GLY   4           HA1      GLY   4   7.618   9.523  -2.718
   76    H    LYS   5           HN       LYS   5  10.091   7.020  -2.720
   77    HA   LYS   5           HA       LYS   5  11.778   8.747  -4.349
   78   1HB   LYS   5           HB2      LYS   5  13.784   8.057  -2.931
   79   2HB   LYS   5           HB1      LYS   5  12.714   9.278  -2.253
   80   1HG   LYS   5           HG2      LYS   5  12.068   7.960  -0.552
   81   2HG   LYS   5           HG1      LYS   5  12.062   6.501  -1.544
   82   1HD   LYS   5           HD2      LYS   5  14.404   6.230  -1.324
   83   2HD   LYS   5           HD1      LYS   5  14.599   7.849  -0.652
   84   1HE   LYS   5           HE2      LYS   5  14.602   6.784   1.325
   85   2HE   LYS   5           HE1      LYS   5  12.852   6.755   1.113
   86   1HZ   LYS   5           HZ1      LYS   5  14.799   4.587   0.611
   87   2HZ   LYS   5           HZ2      LYS   5  13.253   4.558  -0.075
   88   3HZ   LYS   5           HZ3      LYS   5  13.431   4.567   1.607
   89    H    SER   6           HN       SER   6  11.469   7.385  -6.077
   90    HA   SER   6           HA       SER   6  11.917   5.651  -7.474
   91   1HB   SER   6           HB2      SER   6  14.035   5.431  -5.420
   92   2HB   SER   6           HB1      SER   6  13.742   3.976  -6.372
   93    HG   SER   6           HG       SER   6  14.633   6.504  -7.202
   94    H    SER   7           HN       SER   7  12.486   3.900  -4.441
   95    HA   SER   7           HA       SER   7   9.895   2.691  -4.415
   96   1HB   SER   7           HB2      SER   7  10.454   0.464  -5.045
   97   2HB   SER   7           HB1      SER   7  11.111   1.501  -6.310
   98    HG   SER   7           HG       SER   7  13.144   1.255  -5.432
   99    H    ILE   8           HN       ILE   8  10.076   0.605  -2.895
  100    HA   ILE   8           HA       ILE   8  11.686   1.454  -0.579
  101    HB   ILE   8           HB       ILE   8   9.061   1.408  -0.518
  102   1HG1  ILE   8          HG12      ILE   8  10.483   0.054   1.765
  103   2HG1  ILE   8          HG11      ILE   8  10.761   1.750   1.376
  104   1HG2  ILE   8          HG21      ILE   8   9.530  -1.425   0.346
  105   2HG2  ILE   8          HG22      ILE   8   9.101  -1.033  -1.320
  106   3HG2  ILE   8          HG23      ILE   8   8.007  -0.606  -0.004
  107   1HD1  ILE   8          HD11      ILE   8   9.110   1.414   3.170
  108   2HD1  ILE   8          HD12      ILE   8   8.078   0.552   2.028
  109   3HD1  ILE   8          HD13      ILE   8   8.443   2.259   1.773
  110    H    SER   9           HN       SER   9  12.168  -0.403   0.957
  111    HA   SER   9           HA       SER   9  13.826  -2.280  -0.248
  112   1HB   SER   9           HB2      SER   9  12.797  -3.286   2.262
  113   2HB   SER   9           HB1      SER   9  14.400  -2.646   1.898
  114    HG   SER   9           HG       SER   9  13.858  -0.835   2.809
  115    HA   PRO  10           HA       PRO  10  11.512  -5.906  -1.400
  116   1HB   PRO  10           HB2      PRO  10  11.701  -7.712   0.727
  117   2HB   PRO  10           HB1      PRO  10  12.828  -7.593  -0.626
  118   1HG   PRO  10           HG2      PRO  10  13.033  -6.455   2.122
  119   2HG   PRO  10           HG1      PRO  10  14.303  -7.139   1.091
  120   1HD   PRO  10           HD2      PRO  10  14.070  -4.504   1.411
  121   2HD   PRO  10           HD1      PRO  10  14.499  -5.186  -0.170
  122    H    GLN  11           HN       GLN  11  10.991  -4.564   1.748
  123    HA   GLN  11           HA       GLN  11   8.655  -5.713   2.611
  124   1HB   GLN  11           HB2      GLN  11   9.508  -2.819   2.739
  125   2HB   GLN  11           HB1      GLN  11   8.174  -3.493   3.665
  126   1HG   GLN  11           HG2      GLN  11   9.693  -4.967   4.835
  127   2HG   GLN  11           HG1      GLN  11  11.041  -4.390   3.857
  128   1HE2  GLN  11          HE21      GLN  11  10.401  -1.663   3.841
  129   2HE2  GLN  11          HE22      GLN  11  10.631  -1.037   5.439
  130    H    ALA  12           HN       ALA  12   9.130  -3.611  -0.130
  131    HA   ALA  12           HA       ALA  12   6.685  -2.459  -0.525
  132   1HB   ALA  12           HB1      ALA  12   7.463  -3.601  -3.021
  133   2HB   ALA  12           HB2      ALA  12   8.914  -3.110  -2.149
  134   3HB   ALA  12           HB3      ALA  12   7.636  -1.936  -2.466
  135    H    ARG  13           HN       ARG  13   7.618  -5.711  -1.610
  136    HA   ARG  13           HA       ARG  13   4.883  -6.450  -2.164
  137   1HB   ARG  13           HB2      ARG  13   5.775  -8.513  -2.971
  138   2HB   ARG  13           HB1      ARG  13   6.864  -7.242  -3.509
  139   1HG   ARG  13           HG2      ARG  13   8.099  -7.874  -1.245
  140   2HG   ARG  13           HG1      ARG  13   7.304  -9.419  -1.551
  141   1HD   ARG  13           HD2      ARG  13   8.360  -8.663  -4.012
  142   2HD   ARG  13           HD1      ARG  13   9.605  -8.228  -2.839
  143    HE   ARG  13           HE       ARG  13  10.003 -10.452  -2.500
  144   1HH1  ARG  13          HH11      ARG  13   6.913 -10.103  -4.083
  145   2HH1  ARG  13          HH12      ARG  13   6.702 -11.805  -4.322
  146   1HH2  ARG  13          HH21      ARG  13   9.727 -12.691  -2.814
  147   2HH2  ARG  13          HH22      ARG  13   8.300 -13.275  -3.601
  148    H    ALA  14           HN       ALA  14   7.308  -7.052   0.317
  149    HA   ALA  14           HA       ALA  14   5.953  -9.120   1.679
  150   1HB   ALA  14           HB1      ALA  14   8.415  -8.027   1.874
  151   2HB   ALA  14           HB2      ALA  14   7.705  -9.089   3.089
  152   3HB   ALA  14           HB3      ALA  14   7.639  -7.340   3.301
  153    H    PHE  15           HN       PHE  15   6.206  -5.649   2.481
  154    HA   PHE  15           HA       PHE  15   4.466  -5.681   4.642
  155   1HB   PHE  15           HB2      PHE  15   4.716  -3.418   4.679
  156   2HB   PHE  15           HB1      PHE  15   6.004  -3.768   3.539
  157    HD1  PHE  15           HD1      PHE  15   2.351  -2.999   3.576
  158    HD2  PHE  15           HD2      PHE  15   6.082  -2.553   1.581
  159    HE1  PHE  15           HE1      PHE  15   1.292  -1.494   1.943
  160    HE2  PHE  15           HE2      PHE  15   5.029  -1.051  -0.058
  161    HZ   PHE  15           HZ       PHE  15   2.633  -0.522   0.120
  162    H    LEU  16           HN       LEU  16   3.773  -4.939   1.236
  163    HA   LEU  16           HA       LEU  16   0.983  -4.683   1.587
  164   1HB   LEU  16           HB2      LEU  16   1.992  -3.785  -0.382
  165   2HB   LEU  16           HB1      LEU  16   2.662  -5.342  -0.826
  166    HG   LEU  16           HG       LEU  16  -0.011  -5.905  -0.782
  167   1HD1  LEU  16          HD11      LEU  16   0.096  -3.256  -2.150
  168   2HD1  LEU  16          HD12      LEU  16  -0.264  -3.347  -0.428
  169   3HD1  LEU  16          HD13      LEU  16  -1.299  -4.175  -1.591
  170   1HD2  LEU  16          HD21      LEU  16   1.306  -6.663  -2.556
  171   2HD2  LEU  16          HD22      LEU  16   1.833  -5.037  -2.983
  172   3HD2  LEU  16          HD23      LEU  16   0.177  -5.540  -3.310
  173    H    GLU  17           HN       GLU  17   3.101  -7.415   1.008
  174    HA   GLU  17           HA       GLU  17   1.286  -9.355   0.236
  175   1HB   GLU  17           HB2      GLU  17   3.937  -9.320   1.476
  176   2HB   GLU  17           HB1      GLU  17   2.982 -10.724   1.936
  177   1HG   GLU  17           HG2      GLU  17   3.134  -9.983  -0.939
  178   2HG   GLU  17           HG1      GLU  17   4.528 -10.753  -0.181
  179    H    GLN  18           HN       GLN  18   2.438  -8.890   3.563
  180    HA   GLN  18           HA       GLN  18   0.448 -10.468   4.743
  181   1HB   GLN  18           HB2      GLN  18   1.072  -8.990   6.827
  182   2HB   GLN  18           HB1      GLN  18   2.209 -10.155   6.169
  183   1HG   GLN  18           HG2      GLN  18   3.689  -8.583   5.656
  184   2HG   GLN  18           HG1      GLN  18   2.463  -7.545   4.932
  185   1HE2  GLN  18          HE21      GLN  18   2.651  -5.617   5.815
  186   2HE2  GLN  18          HE22      GLN  18   2.790  -5.286   7.510
  187    H    VAL  19           HN       VAL  19   0.487  -7.078   3.831
  188    HA   VAL  19           HA       VAL  19  -1.734  -6.200   5.310
  189    HB   VAL  19           HB       VAL  19  -0.785  -5.290   2.582
  190   1HG1  VAL  19          HG11      VAL  19  -3.009  -4.371   4.311
  191   2HG1  VAL  19          HG12      VAL  19  -2.841  -4.323   2.556
  192   3HG1  VAL  19          HG13      VAL  19  -2.011  -3.131   3.554
  193   1HG2  VAL  19          HG21      VAL  19   0.740  -4.027   3.612
  194   2HG2  VAL  19          HG22      VAL  19   0.470  -5.065   5.011
  195   3HG2  VAL  19          HG23      VAL  19  -0.387  -3.531   4.872
  196    H    PHE  20           HN       PHE  20  -1.727  -6.996   1.825
  197    HA   PHE  20           HA       PHE  20  -4.513  -7.265   1.616
  198   1HB   PHE  20           HB2      PHE  20  -3.058  -6.924  -0.327
  199   2HB   PHE  20           HB1      PHE  20  -2.334  -8.506  -0.076
  200    HD1  PHE  20           HD1      PHE  20  -5.025  -6.675  -1.574
  201    HD2  PHE  20           HD2      PHE  20  -3.773 -10.553  -0.347
  202    HE1  PHE  20           HE1      PHE  20  -6.727  -7.686  -3.037
  203    HE2  PHE  20           HE2      PHE  20  -5.473 -11.568  -1.806
  204    HZ   PHE  20           HZ       PHE  20  -6.951 -10.134  -3.155
  205    H    ARG  21           HN       ARG  21  -2.176  -9.369   2.981
  206    HA   ARG  21           HA       ARG  21  -3.612 -11.816   2.550
  207   1HB   ARG  21           HB2      ARG  21  -1.051 -11.204   3.338
  208   2HB   ARG  21           HB1      ARG  21  -1.782 -11.744   4.838
  209   1HG   ARG  21           HG2      ARG  21  -1.513 -13.847   4.216
  210   2HG   ARG  21           HG1      ARG  21  -2.538 -13.567   2.807
  211   1HD   ARG  21           HD2      ARG  21  -0.774 -13.335   1.399
  212   2HD   ARG  21           HD1      ARG  21   0.247 -12.594   2.630
  213    HE   ARG  21           HE       ARG  21   1.013 -14.680   3.223
  214   1HH1  ARG  21          HH11      ARG  21  -1.728 -15.015   1.087
  215   2HH1  ARG  21          HH12      ARG  21  -1.493 -16.714   0.849
  216   1HH2  ARG  21          HH21      ARG  21   1.320 -16.914   2.913
  217   2HH2  ARG  21          HH22      ARG  21   0.236 -17.793   1.887
  218    H    ARG  22           HN       ARG  22  -3.365  -9.432   5.131
  219    HA   ARG  22           HA       ARG  22  -4.731 -10.818   7.140
  220   1HB   ARG  22           HB2      ARG  22  -4.331  -7.910   6.524
  221   2HB   ARG  22           HB1      ARG  22  -5.378  -8.394   7.849
  222   1HG   ARG  22           HG2      ARG  22  -3.596  -9.424   9.010
  223   2HG   ARG  22           HG1      ARG  22  -2.533  -9.321   7.606
  224   1HD   ARG  22           HD2      ARG  22  -2.150  -7.627   9.460
  225   2HD   ARG  22           HD1      ARG  22  -2.297  -6.993   7.821
  226    HE   ARG  22           HE       ARG  22  -4.158  -5.856   8.483
  227   1HH1  ARG  22          HH11      ARG  22  -3.566  -8.421  10.774
  228   2HH1  ARG  22          HH12      ARG  22  -4.823  -7.919  11.852
  229   1HH2  ARG  22          HH21      ARG  22  -5.812  -5.192   9.902
  230   2HH2  ARG  22          HH22      ARG  22  -6.099  -6.086  11.358
  231    H    LYS  23           HN       LYS  23  -5.887  -8.842   4.474
  232    HA   LYS  23           HA       LYS  23  -8.395 -10.148   4.388
  233   1HB   LYS  23           HB2      LYS  23  -9.877  -8.417   5.102
  234   2HB   LYS  23           HB1      LYS  23  -8.725  -8.693   6.399
  235   1HG   LYS  23           HG2      LYS  23  -7.600  -6.693   5.987
  236   2HG   LYS  23           HG1      LYS  23  -8.305  -6.515   4.384
  237   1HD   LYS  23           HD2      LYS  23  -9.600  -6.087   7.061
  238   2HD   LYS  23           HD1      LYS  23  -9.407  -4.946   5.733
  239   1HE   LYS  23           HE2      LYS  23 -11.617  -5.482   5.496
  240   2HE   LYS  23           HE1      LYS  23 -10.884  -6.683   4.439
  241   1HZ   LYS  23           HZ1      LYS  23 -12.331  -7.043   6.899
  242   2HZ   LYS  23           HZ2      LYS  23 -10.887  -7.924   6.836
  243   3HZ   LYS  23           HZ3      LYS  23 -12.060  -8.135   5.634
  244    H    GLN  24           HN       GLN  24  -9.738  -7.646   3.342
  245    HA   GLN  24           HA       GLN  24  -8.121  -7.133   0.960
  246   1HB   GLN  24           HB2      GLN  24 -11.040  -7.776   0.671
  247   2HB   GLN  24           HB1      GLN  24  -9.796  -7.749  -0.567
  248   1HG   GLN  24           HG2      GLN  24  -9.452  -9.733   1.591
  249   2HG   GLN  24           HG1      GLN  24 -10.796  -9.992   0.486
  250   1HE2  GLN  24          HE21      GLN  24  -8.531 -11.666   0.751
  251   2HE2  GLN  24          HE22      GLN  24  -7.684 -11.647  -0.762
  252    H    SER  25           HN       SER  25 -11.223  -6.448   2.529
  253    HA   SER  25           HA       SER  25 -11.428  -3.853   1.339
  254   1HB   SER  25           HB2      SER  25 -13.382  -5.298   1.952
  255   2HB   SER  25           HB1      SER  25 -13.034  -4.956   3.647
  256    HG   SER  25           HG       SER  25 -13.694  -3.069   1.631
  257    H    LEU  26           HN       LEU  26  -9.228  -3.184   2.174
  258    HA   LEU  26           HA       LEU  26  -8.984  -2.530   4.959
  259   1HB   LEU  26           HB2      LEU  26  -7.402  -1.578   2.564
  260   2HB   LEU  26           HB1      LEU  26  -6.985  -1.237   4.229
  261    HG   LEU  26           HG       LEU  26  -6.534  -3.665   2.630
  262   1HD1  LEU  26          HD11      LEU  26  -5.155  -1.956   4.540
  263   2HD1  LEU  26          HD12      LEU  26  -4.509  -2.977   3.256
  264   3HD1  LEU  26          HD13      LEU  26  -4.881  -3.674   4.833
  265   1HD2  LEU  26          HD21      LEU  26  -8.218  -4.548   4.147
  266   2HD2  LEU  26          HD22      LEU  26  -7.338  -3.894   5.528
  267   3HD2  LEU  26          HD23      LEU  26  -6.621  -5.177   4.553
  268    H    ASN  27           HN       ASN  27 -10.373  -1.065   5.789
  269    HA   ASN  27           HA       ASN  27 -11.259   1.178   4.176
  270   1HB   ASN  27           HB2      ASN  27 -12.938   1.528   5.769
  271   2HB   ASN  27           HB1      ASN  27 -12.738  -0.219   5.754
  272   1HD2  ASN  27          HD21      ASN  27 -11.596  -1.207   7.486
  273   2HD2  ASN  27          HD22      ASN  27 -11.500  -0.428   9.032
  274    H    SER  28           HN       SER  28 -11.526   3.312   5.580
  275    HA   SER  28           HA       SER  28  -9.099   4.570   5.701
  276   1HB   SER  28           HB2      SER  28 -11.781   5.134   6.846
  277   2HB   SER  28           HB1      SER  28 -10.427   6.062   7.500
  278    HG   SER  28           HG       SER  28 -10.368   7.162   5.718
  279    H    LYS  29           HN       LYS  29 -10.585   2.596   8.151
  280    HA   LYS  29           HA       LYS  29  -8.831   3.415  10.268
  281   1HB   LYS  29           HB2      LYS  29 -10.868   1.245   9.912
  282   2HB   LYS  29           HB1      LYS  29  -9.797   1.233  11.304
  283   1HG   LYS  29           HG2      LYS  29 -11.774   3.373  10.555
  284   2HG   LYS  29           HG1      LYS  29 -11.864   2.265  11.925
  285   1HD   LYS  29           HD2      LYS  29 -10.892   3.898  13.106
  286   2HD   LYS  29           HD1      LYS  29  -9.408   3.459  12.259
  287   1HE   LYS  29           HE2      LYS  29  -9.726   5.161  10.638
  288   2HE   LYS  29           HE1      LYS  29 -11.381   5.458  11.177
  289   1HZ   LYS  29           HZ1      LYS  29 -10.626   6.954  12.602
  290   2HZ   LYS  29           HZ2      LYS  29  -9.047   6.710  12.044
  291   3HZ   LYS  29           HZ3      LYS  29  -9.631   5.808  13.350
  292    H    GLU  30           HN       GLU  30  -9.104   0.569   8.182
  293    HA   GLU  30           HA       GLU  30  -6.779  -0.688   9.244
  294   1HB   GLU  30           HB2      GLU  30  -8.285  -1.198   6.671
  295   2HB   GLU  30           HB1      GLU  30  -7.030  -2.238   7.334
  296   1HG   GLU  30           HG2      GLU  30  -8.543  -2.314   9.430
  297   2HG   GLU  30           HG1      GLU  30  -9.801  -1.745   8.333
  298    H    LYS  31           HN       LYS  31  -7.490   1.419   6.531
  299    HA   LYS  31           HA       LYS  31  -5.040   1.153   5.188
  300   1HB   LYS  31           HB2      LYS  31  -5.796   2.844   3.849
  301   2HB   LYS  31           HB1      LYS  31  -7.311   2.387   4.601
  302   1HG   LYS  31           HG2      LYS  31  -7.142   4.207   6.166
  303   2HG   LYS  31           HG1      LYS  31  -5.547   4.632   5.536
  304   1HD   LYS  31           HD2      LYS  31  -6.455   5.279   3.446
  305   2HD   LYS  31           HD1      LYS  31  -8.036   4.607   3.846
  306   1HE   LYS  31           HE2      LYS  31  -8.663   6.483   4.873
  307   2HE   LYS  31           HE1      LYS  31  -7.173   6.545   5.814
  308   1HZ   LYS  31           HZ1      LYS  31  -6.310   7.292   3.394
  309   2HZ   LYS  31           HZ2      LYS  31  -6.797   8.373   4.600
  310   3HZ   LYS  31           HZ3      LYS  31  -7.876   7.933   3.375
  311    H    GLU  32           HN       GLU  32  -6.051   3.044   7.945
  312    HA   GLU  32           HA       GLU  32  -3.505   4.449   8.081
  313   1HB   GLU  32           HB2      GLU  32  -4.482   5.760   9.813
  314   2HB   GLU  32           HB1      GLU  32  -5.716   5.560   8.576
  315   1HG   GLU  32           HG2      GLU  32  -6.891   3.969   9.877
  316   2HG   GLU  32           HG1      GLU  32  -5.569   3.839  11.033
  317    H    GLU  33           HN       GLU  33  -5.302   1.935   9.739
  318    HA   GLU  33           HA       GLU  33  -3.456   1.627  11.901
  319   1HB   GLU  33           HB2      GLU  33  -5.699  -0.083  10.829
  320   2HB   GLU  33           HB1      GLU  33  -4.750  -0.531  12.233
  321   1HG   GLU  33           HG2      GLU  33  -5.907   2.170  12.295
  322   2HG   GLU  33           HG1      GLU  33  -7.060   0.838  12.341
  323    H    VAL  34           HN       VAL  34  -3.945   0.173   8.764
  324    HA   VAL  34           HA       VAL  34  -1.988  -1.910   9.121
  325    HB   VAL  34           HB       VAL  34  -3.423  -0.922   6.645
  326   1HG1  VAL  34          HG11      VAL  34  -2.086  -3.580   6.762
  327   2HG1  VAL  34          HG12      VAL  34  -1.114  -2.152   6.408
  328   3HG1  VAL  34          HG13      VAL  34  -2.475  -2.569   5.372
  329   1HG2  VAL  34          HG21      VAL  34  -3.927  -3.604   7.763
  330   2HG2  VAL  34          HG22      VAL  34  -5.044  -2.437   7.056
  331   3HG2  VAL  34          HG23      VAL  34  -4.503  -2.242   8.724
  332    H    ALA  35           HN       ALA  35  -2.144   1.266   7.611
  333    HA   ALA  35           HA       ALA  35   0.336   1.175   6.285
  334   1HB   ALA  35           HB1      ALA  35   0.049   3.801   6.730
  335   2HB   ALA  35           HB2      ALA  35  -1.600   3.254   7.010
  336   3HB   ALA  35           HB3      ALA  35  -0.808   2.917   5.473
  337    H    LYS  36           HN       LYS  36  -0.502   1.901   9.597
  338    HA   LYS  36           HA       LYS  36   2.120   2.984  10.181
  339   1HB   LYS  36           HB2      LYS  36   1.281   3.370  12.405
  340   2HB   LYS  36           HB1      LYS  36   0.080   3.896  11.234
  341   1HG   LYS  36           HG2      LYS  36  -1.194   1.856  11.597
  342   2HG   LYS  36           HG1      LYS  36   0.021   1.293  12.747
  343   1HD   LYS  36           HD2      LYS  36  -1.737   2.207  14.041
  344   2HD   LYS  36           HD1      LYS  36  -0.438   3.402  14.065
  345   1HE   LYS  36           HE2      LYS  36  -1.689   4.400  12.012
  346   2HE   LYS  36           HE1      LYS  36  -3.058   3.475  12.627
  347   1HZ   LYS  36           HZ1      LYS  36  -2.300   4.667  14.851
  348   2HZ   LYS  36           HZ2      LYS  36  -3.383   5.384  13.767
  349   3HZ   LYS  36           HZ3      LYS  36  -1.750   5.826  13.747
  350    H    LYS  37           HN       LYS  37   0.583  -0.104  10.312
  351    HA   LYS  37           HA       LYS  37   2.677  -1.115  12.104
  352   1HB   LYS  37           HB2      LYS  37   1.301  -3.033  12.486
  353   2HB   LYS  37           HB1      LYS  37   0.281  -1.609  12.640
  354   1HG   LYS  37           HG2      LYS  37  -0.692  -1.987  10.496
  355   2HG   LYS  37           HG1      LYS  37   0.457  -3.276  10.142
  356   1HD   LYS  37           HD2      LYS  37  -1.687  -4.218  10.776
  357   2HD   LYS  37           HD1      LYS  37  -0.474  -4.590  12.002
  358   1HE   LYS  37           HE2      LYS  37  -1.973  -2.098  12.435
  359   2HE   LYS  37           HE1      LYS  37  -2.930  -3.575  12.534
  360   1HZ   LYS  37           HZ1      LYS  37  -1.871  -4.245  14.395
  361   2HZ   LYS  37           HZ2      LYS  37  -1.608  -2.586  14.591
  362   3HZ   LYS  37           HZ3      LYS  37  -0.385  -3.566  13.952
  363    H    CYS  38           HN       CYS  38   1.469  -1.321   8.843
  364    HA   CYS  38           HA       CYS  38   3.246  -3.545   8.227
  365   1HB   CYS  38           HB2      CYS  38   1.268  -2.065   6.485
  366   2HB   CYS  38           HB1      CYS  38   2.202  -3.471   5.986
  367    HG   CYS  38           HG       CYS  38   0.675  -4.311   8.358
  368    H    GLY  39           HN       GLY  39   3.046  -0.091   7.817
  369   1HA   GLY  39           HA2      GLY  39   5.180   1.057   7.535
  370   2HA   GLY  39           HA1      GLY  39   5.646  -0.210   6.414
  371    H    ILE  40           HN       ILE  40   2.433   1.102   6.285
  372    HA   ILE  40           HA       ILE  40   3.169   2.480   3.788
  373    HB   ILE  40           HB       ILE  40   0.315   2.082   4.092
  374   1HG1  ILE  40          HG12      ILE  40   1.917  -0.463   3.842
  375   2HG1  ILE  40          HG11      ILE  40   1.161   0.044   5.344
  376   1HG2  ILE  40          HG21      ILE  40   0.414   1.802   1.861
  377   2HG2  ILE  40          HG22      ILE  40   1.780   0.692   1.955
  378   3HG2  ILE  40          HG23      ILE  40   2.050   2.431   2.055
  379   1HD1  ILE  40          HD11      ILE  40  -1.015  -0.090   4.370
  380   2HD1  ILE  40          HD12      ILE  40  -0.161  -1.599   4.048
  381   3HD1  ILE  40          HD13      ILE  40  -0.331  -0.392   2.774
  382    H    THR  41           HN       THR  41   0.787   3.985   3.513
  383    HA   THR  41           HA       THR  41   0.518   5.557   5.939
  384    HB   THR  41           HB       THR  41   1.046   7.357   3.721
  385    HG1  THR  41           HG1      THR  41   3.187   5.709   4.576
  386   1HG2  THR  41          HG21      THR  41   1.465   8.606   5.494
  387   2HG2  THR  41          HG22      THR  41   2.983   7.726   5.671
  388   3HG2  THR  41          HG23      THR  41   1.549   7.196   6.549
  389    HA   PRO  42           HA       PRO  42  -3.654   6.272   4.767
  390   1HB   PRO  42           HB2      PRO  42  -3.074   9.190   5.005
  391   2HB   PRO  42           HB1      PRO  42  -4.378   8.240   5.727
  392   1HG   PRO  42           HG2      PRO  42  -2.296   9.010   7.193
  393   2HG   PRO  42           HG1      PRO  42  -3.015   7.403   7.409
  394   1HD   PRO  42           HD2      PRO  42  -0.470   8.179   6.066
  395   2HD   PRO  42           HD1      PRO  42  -0.858   6.717   6.993
  396    H    LEU  43           HN       LEU  43  -1.108   8.042   3.163
  397    HA   LEU  43           HA       LEU  43  -2.814   8.748   0.915
  398   1HB   LEU  43           HB2      LEU  43  -0.631   9.955   2.044
  399   2HB   LEU  43           HB1      LEU  43   0.081   9.163   0.651
  400    HG   LEU  43           HG       LEU  43  -2.061  10.339  -0.514
  401   1HD1  LEU  43          HD11      LEU  43  -2.461  12.497   0.356
  402   2HD1  LEU  43          HD12      LEU  43  -1.147  12.351   1.524
  403   3HD1  LEU  43          HD13      LEU  43  -2.611  11.386   1.718
  404   1HD2  LEU  43          HD21      LEU  43   0.601  11.663  -0.003
  405   2HD2  LEU  43          HD22      LEU  43  -0.509  12.014  -1.328
  406   3HD2  LEU  43          HD23      LEU  43   0.286  10.443  -1.239
  407    H    GLN  44           HN       GLN  44  -0.440   6.378   1.824
  408    HA   GLN  44           HA       GLN  44  -0.027   5.443  -0.876
  409   1HB   GLN  44           HB2      GLN  44   0.735   3.854   1.538
  410   2HB   GLN  44           HB1      GLN  44   1.553   3.976  -0.011
  411   1HG   GLN  44           HG2      GLN  44   1.447   6.129   2.087
  412   2HG   GLN  44           HG1      GLN  44   2.809   5.056   1.780
  413   1HE2  GLN  44          HE21      GLN  44   1.648   8.058   1.247
  414   2HE2  GLN  44          HE22      GLN  44   2.511   8.463  -0.201
  415    H    VAL  45           HN       VAL  45  -1.369   4.021   2.085
  416    HA   VAL  45           HA       VAL  45  -2.405   1.685   1.301
  417    HB   VAL  45           HB       VAL  45  -4.328   2.079   2.818
  418   1HG1  VAL  45          HG11      VAL  45  -2.234   3.211   4.440
  419   2HG1  VAL  45          HG12      VAL  45  -1.600   1.963   3.368
  420   3HG1  VAL  45          HG13      VAL  45  -2.924   1.590   4.473
  421   1HG2  VAL  45          HG21      VAL  45  -4.083   4.336   4.099
  422   2HG2  VAL  45          HG22      VAL  45  -4.966   4.291   2.573
  423   3HG2  VAL  45          HG23      VAL  45  -3.306   4.883   2.613
  424    H    ARG  46           HN       ARG  46  -3.668   4.818   0.316
  425    HA   ARG  46           HA       ARG  46  -5.987   3.640  -0.930
  426   1HB   ARG  46           HB2      ARG  46  -6.117   6.067  -1.909
  427   2HB   ARG  46           HB1      ARG  46  -6.543   5.757  -0.239
  428   1HG   ARG  46           HG2      ARG  46  -4.871   7.009   0.540
  429   2HG   ARG  46           HG1      ARG  46  -3.724   6.393  -0.644
  430   1HD   ARG  46           HD2      ARG  46  -4.189   8.830  -0.848
  431   2HD   ARG  46           HD1      ARG  46  -4.524   7.906  -2.311
  432    HE   ARG  46           HE       ARG  46  -6.724   8.492  -2.125
  433   1HH1  ARG  46          HH11      ARG  46  -5.167   9.027   0.953
  434   2HH1  ARG  46          HH12      ARG  46  -6.547   9.801   1.657
  435   1HH2  ARG  46          HH21      ARG  46  -8.539   9.512  -1.200
  436   2HH2  ARG  46          HH22      ARG  46  -8.460  10.078   0.435
  437    H    VAL  47           HN       VAL  47  -3.221   5.537  -2.195
  438    HA   VAL  47           HA       VAL  47  -3.717   4.823  -4.897
  439    HB   VAL  47           HB       VAL  47  -1.578   5.823  -5.402
  440   1HG1  VAL  47          HG11      VAL  47  -2.556   7.518  -3.152
  441   2HG1  VAL  47          HG12      VAL  47  -3.631   7.176  -4.507
  442   3HG1  VAL  47          HG13      VAL  47  -2.087   7.980  -4.788
  443   1HG2  VAL  47          HG21      VAL  47  -0.141   4.890  -3.760
  444   2HG2  VAL  47          HG22      VAL  47  -1.085   5.580  -2.441
  445   3HG2  VAL  47          HG23      VAL  47  -0.132   6.632  -3.486
  446    H    TRP  48           HN       TRP  48  -1.455   3.633  -2.470
  447    HA   TRP  48           HA       TRP  48  -0.065   1.816  -4.067
  448   1HB   TRP  48           HB2      TRP  48   0.017   2.677  -1.430
  449   2HB   TRP  48           HB1      TRP  48  -0.349   0.963  -1.295
  450    HD1  TRP  48           HD1      TRP  48   2.403   3.381  -2.297
  451    HE1  TRP  48           HE1      TRP  48   4.593   2.077  -2.641
  452    HE3  TRP  48           HE3      TRP  48   0.564  -1.378  -2.016
  453    HZ2  TRP  48           HZ2      TRP  48   5.432  -0.614  -2.776
  454    HZ3  TRP  48           HZ3      TRP  48   2.128  -3.260  -2.265
  455    HH2  TRP  48           HH2      TRP  48   4.510  -2.886  -2.637
  456    H    PHE  49           HN       PHE  49  -2.830   1.229  -1.852
  457    HA   PHE  49           HA       PHE  49  -3.106  -1.499  -2.546
  458   1HB   PHE  49           HB2      PHE  49  -5.134   0.445  -1.427
  459   2HB   PHE  49           HB1      PHE  49  -5.410  -1.278  -1.589
  460    HD1  PHE  49           HD1      PHE  49  -2.144  -1.374  -0.812
  461    HD2  PHE  49           HD2      PHE  49  -5.819  -0.170   0.970
  462    HE1  PHE  49           HE1      PHE  49  -1.176  -1.732   1.423
  463    HE2  PHE  49           HE2      PHE  49  -4.856  -0.524   3.204
  464    HZ   PHE  49           HZ       PHE  49  -2.536  -1.301   3.434
  465    H    ILE  50           HN       ILE  50  -4.222   1.453  -4.051
  466    HA   ILE  50           HA       ILE  50  -6.347   0.512  -5.562
  467    HB   ILE  50           HB       ILE  50  -4.405   2.732  -5.895
  468   1HG1  ILE  50          HG12      ILE  50  -6.564   2.857  -4.611
  469   2HG1  ILE  50          HG11      ILE  50  -6.388   4.078  -5.867
  470   1HG2  ILE  50          HG21      ILE  50  -6.110   1.714  -8.157
  471   2HG2  ILE  50          HG22      ILE  50  -4.366   1.978  -8.148
  472   3HG2  ILE  50          HG23      ILE  50  -5.467   3.354  -8.084
  473   1HD1  ILE  50          HD11      ILE  50  -8.350   3.461  -6.667
  474   2HD1  ILE  50          HD12      ILE  50  -8.446   2.139  -5.503
  475   3HD1  ILE  50          HD13      ILE  50  -7.666   1.885  -7.065
  476    H    ASN  51           HN       ASN  51  -2.899   0.572  -6.462
  477    HA   ASN  51           HA       ASN  51  -3.377  -0.969  -8.852
  478   1HB   ASN  51           HB2      ASN  51  -0.937   0.157  -7.510
  479   2HB   ASN  51           HB1      ASN  51  -0.768  -1.031  -8.798
  480   1HD2  ASN  51          HD21      ASN  51  -1.013   2.200  -8.087
  481   2HD2  ASN  51          HD22      ASN  51  -1.402   2.798  -9.667
  482    H    LYS  52           HN       LYS  52  -2.362  -1.561  -5.570
  483    HA   LYS  52           HA       LYS  52  -1.685  -4.340  -6.166
  484   1HB   LYS  52           HB2      LYS  52  -1.331  -2.549  -3.787
  485   2HB   LYS  52           HB1      LYS  52  -1.235  -4.294  -3.591
  486   1HG   LYS  52           HG2      LYS  52   0.523  -2.521  -5.274
  487   2HG   LYS  52           HG1      LYS  52   0.978  -3.471  -3.860
  488   1HD   LYS  52           HD2      LYS  52   0.174  -5.494  -5.285
  489   2HD   LYS  52           HD1      LYS  52   0.375  -4.387  -6.644
  490   1HE   LYS  52           HE2      LYS  52   2.632  -4.390  -6.488
  491   2HE   LYS  52           HE1      LYS  52   2.617  -4.510  -4.729
  492   1HZ   LYS  52           HZ1      LYS  52   3.368  -6.503  -6.260
  493   2HZ   LYS  52           HZ2      LYS  52   1.711  -6.838  -6.242
  494   3HZ   LYS  52           HZ3      LYS  52   2.573  -6.761  -4.789
  495    H    ARG  53           HN       ARG  53  -4.475  -3.067  -6.123
  496    HA   ARG  53           HA       ARG  53  -5.903  -5.283  -5.190
  497   1HB   ARG  53           HB2      ARG  53  -5.118  -4.259  -2.983
  498   2HB   ARG  53           HB1      ARG  53  -6.196  -2.920  -3.342
  499   1HG   ARG  53           HG2      ARG  53  -8.020  -4.709  -3.571
  500   2HG   ARG  53           HG1      ARG  53  -6.886  -5.762  -2.726
  501   1HD   ARG  53           HD2      ARG  53  -7.306  -3.093  -1.545
  502   2HD   ARG  53           HD1      ARG  53  -8.686  -4.188  -1.486
  503    HE   ARG  53           HE       ARG  53  -7.552  -5.511   0.016
  504   1HH1  ARG  53          HH11      ARG  53  -5.357  -3.149  -1.321
  505   2HH1  ARG  53          HH12      ARG  53  -4.124  -3.449  -0.146
  506   1HH2  ARG  53          HH21      ARG  53  -5.935  -5.896   1.563
  507   2HH2  ARG  53          HH22      ARG  53  -4.450  -5.007   1.490
  508    H    MET  54           HN       MET  54  -5.824  -3.400  -7.411
  509    HA   MET  54           HA       MET  54  -7.846  -1.516  -7.428
  510   1HB   MET  54           HB2      MET  54  -6.114  -2.537  -9.294
  511   2HB   MET  54           HB1      MET  54  -7.669  -3.084  -9.906
  512   1HG   MET  54           HG2      MET  54  -8.447  -0.686  -9.666
  513   2HG   MET  54           HG1      MET  54  -6.752  -0.270  -9.417
  514   1HE   MET  54           HE1      MET  54  -5.259   0.095 -12.626
  515   2HE   MET  54           HE2      MET  54  -5.332   0.353 -10.883
  516   3HE   MET  54           HE3      MET  54  -6.373   1.286 -11.958
  517    H    ARG  55           HN       ARG  55  -9.605  -2.251  -6.212
  518    HA   ARG  55           HA       ARG  55 -11.031  -4.631  -6.974
  519   1HB   ARG  55           HB2      ARG  55 -11.625  -2.430  -4.997
  520   2HB   ARG  55           HB1      ARG  55 -12.702  -3.793  -5.267
  521   1HG   ARG  55           HG2      ARG  55  -9.877  -4.429  -4.676
  522   2HG   ARG  55           HG1      ARG  55 -10.842  -3.761  -3.359
  523   1HD   ARG  55           HD2      ARG  55 -11.891  -5.699  -3.062
  524   2HD   ARG  55           HD1      ARG  55 -12.326  -5.783  -4.768
  525    HE   ARG  55           HE       ARG  55  -9.736  -6.541  -4.765
  526   1HH1  ARG  55          HH11      ARG  55 -12.518  -7.592  -2.938
  527   2HH1  ARG  55          HH12      ARG  55 -11.943  -9.215  -2.758
  528   1HH2  ARG  55          HH21      ARG  55  -8.979  -8.677  -4.531
  529   2HH2  ARG  55          HH22      ARG  55  -9.935  -9.831  -3.664
  530    H    SER  56           HN       SER  56 -11.965  -1.187  -6.839
  531    HA   SER  56           HA       SER  56 -13.838  -1.711  -9.052
  532   1HB   SER  56           HB2      SER  56 -14.082  -0.150  -6.557
  533   2HB   SER  56           HB1      SER  56 -14.728   0.634  -7.999
  534    HG   SER  56           HG       SER  56 -16.172  -0.824  -6.753
  535    H    LYS  57           HN       LYS  57 -12.306   1.188  -7.650
  536    HA   LYS  57           HA       LYS  57 -11.661   2.054 -10.386
  537   1HB   LYS  57           HB2      LYS  57 -11.436   4.331  -9.345
  538   2HB   LYS  57           HB1      LYS  57 -13.056   3.651  -9.288
  539   1HG   LYS  57           HG2      LYS  57 -13.013   3.373  -7.018
  540   2HG   LYS  57           HG1      LYS  57 -11.254   3.233  -6.959
  541   1HD   LYS  57           HD2      LYS  57 -12.268   5.828  -7.900
  542   2HD   LYS  57           HD1      LYS  57 -12.649   5.443  -6.221
  543   1HE   LYS  57           HE2      LYS  57 -10.550   5.818  -5.577
  544   2HE   LYS  57           HE1      LYS  57  -9.906   4.787  -6.854
  545   1HZ   LYS  57           HZ1      LYS  57 -10.883   7.437  -7.609
  546   2HZ   LYS  57           HZ2      LYS  57  -9.598   6.539  -8.242
  547   3HZ   LYS  57           HZ3      LYS  57  -9.415   7.354  -6.772
  Start of MODEL    2
    1   1H    LYS  -3           HT1      LYS  -3  24.456  -1.567   4.075
    2   2H    LYS  -3           HT2      LYS  -3  25.321  -0.535   3.011
    3   3H    LYS  -3           HT3      LYS  -3  26.170  -1.588   4.066
    4    HA   LYS  -3           HA       LYS  -3  26.009  -2.256   1.686
    5   1HB   LYS  -3           HB2      LYS  -3  26.146  -3.637   4.060
    6   2HB   LYS  -3           HB1      LYS  -3  24.818  -4.446   3.240
    7   1HG   LYS  -3           HG2      LYS  -3  26.230  -4.928   1.343
    8   2HG   LYS  -3           HG1      LYS  -3  27.558  -4.017   2.067
    9   1HD   LYS  -3           HD2      LYS  -3  26.296  -6.513   3.202
   10   2HD   LYS  -3           HD1      LYS  -3  27.855  -6.423   2.381
   11   1HE   LYS  -3           HE2      LYS  -3  27.953  -4.478   4.389
   12   2HE   LYS  -3           HE1      LYS  -3  27.196  -5.885   5.135
   13   1HZ   LYS  -3           HZ1      LYS  -3  29.911  -5.533   4.172
   14   2HZ   LYS  -3           HZ2      LYS  -3  29.211  -7.036   3.839
   15   3HZ   LYS  -3           HZ3      LYS  -3  29.325  -6.493   5.436
   16    H    LYS  -2           HN       LYS  -2  23.678  -0.653   1.863
   17    HA   LYS  -2           HA       LYS  -2  21.571  -2.499   0.961
   18   1HB   LYS  -2           HB2      LYS  -2  21.195  -0.842   2.916
   19   2HB   LYS  -2           HB1      LYS  -2  21.115   0.387   1.662
   20   1HG   LYS  -2           HG2      LYS  -2  18.911  -0.108   1.821
   21   2HG   LYS  -2           HG1      LYS  -2  19.374  -1.314   0.620
   22   1HD   LYS  -2           HD2      LYS  -2  19.796  -2.302   3.303
   23   2HD   LYS  -2           HD1      LYS  -2  18.129  -1.769   3.078
   24   1HE   LYS  -2           HE2      LYS  -2  19.573  -3.625   1.194
   25   2HE   LYS  -2           HE1      LYS  -2  18.549  -4.173   2.521
   26   1HZ   LYS  -2           HZ1      LYS  -2  17.620  -3.825   0.093
   27   2HZ   LYS  -2           HZ2      LYS  -2  17.406  -2.243   0.651
   28   3HZ   LYS  -2           HZ3      LYS  -2  16.668  -3.532   1.460
   29    H    GLU  -1           HN       GLU  -1  20.510  -2.139  -0.983
   30    HA   GLU  -1           HA       GLU  -1  22.069  -0.781  -2.988
   31   1HB   GLU  -1           HB2      GLU  -1  19.576  -2.458  -3.035
   32   2HB   GLU  -1           HB1      GLU  -1  20.085  -1.567  -4.462
   33   1HG   GLU  -1           HG2      GLU  -1  21.947  -2.866  -4.782
   34   2HG   GLU  -1           HG1      GLU  -1  22.047  -3.331  -3.084
   35    H    LYS   0           HN       LYS   0  20.650   0.460  -4.713
   36    HA   LYS   0           HA       LYS   0  19.703   2.807  -3.371
   37   1HB   LYS   0           HB2      LYS   0  19.409   3.729  -5.612
   38   2HB   LYS   0           HB1      LYS   0  20.979   2.954  -5.463
   39   1HG   LYS   0           HG2      LYS   0  19.798   0.897  -6.490
   40   2HG   LYS   0           HG1      LYS   0  18.573   2.063  -6.994
   41   1HD   LYS   0           HD2      LYS   0  20.541   3.411  -7.948
   42   2HD   LYS   0           HD1      LYS   0  21.468   1.920  -7.771
   43   1HE   LYS   0           HE2      LYS   0  20.709   1.406  -9.810
   44   2HE   LYS   0           HE1      LYS   0  19.179   1.055  -9.007
   45   1HZ   LYS   0           HZ1      LYS   0  18.265   2.649 -10.217
   46   2HZ   LYS   0           HZ2      LYS   0  19.757   3.067 -10.894
   47   3HZ   LYS   0           HZ3      LYS   0  19.249   3.796  -9.455
   48    H    SER   1           HN       SER   1  17.618   3.853  -4.054
   49    HA   SER   1           HA       SER   1  15.450   2.367  -5.036
   50   1HB   SER   1           HB2      SER   1  15.186   1.025  -3.199
   51   2HB   SER   1           HB1      SER   1  15.954   2.180  -2.111
   52    HG   SER   1           HG       SER   1  13.781   2.124  -1.631
   53    HA   PRO   2           HA       PRO   2  13.758   6.444  -3.178
   54   1HB   PRO   2           HB2      PRO   2  15.220   7.833  -1.394
   55   2HB   PRO   2           HB1      PRO   2  14.193   6.479  -0.908
   56   1HG   PRO   2           HG2      PRO   2  17.151   6.539  -1.376
   57   2HG   PRO   2           HG1      PRO   2  16.244   5.775  -0.056
   58   1HD   PRO   2           HD2      PRO   2  17.177   4.399  -2.212
   59   2HD   PRO   2           HD1      PRO   2  15.716   3.932  -1.320
   60    H    LYS   3           HN       LYS   3  15.037   6.343  -5.485
   61    HA   LYS   3           HA       LYS   3  16.476   8.905  -5.638
   62   1HB   LYS   3           HB2      LYS   3  18.023   6.962  -5.886
   63   2HB   LYS   3           HB1      LYS   3  17.103   6.456  -7.296
   64   1HG   LYS   3           HG2      LYS   3  17.659   8.598  -8.387
   65   2HG   LYS   3           HG1      LYS   3  18.653   9.020  -6.991
   66   1HD   LYS   3           HD2      LYS   3  20.231   8.139  -8.419
   67   2HD   LYS   3           HD1      LYS   3  19.790   6.716  -7.475
   68   1HE   LYS   3           HE2      LYS   3  19.832   6.054  -9.757
   69   2HE   LYS   3           HE1      LYS   3  18.138   6.154  -9.277
   70   1HZ   LYS   3           HZ1      LYS   3  18.482   8.598 -10.204
   71   2HZ   LYS   3           HZ2      LYS   3  18.023   7.309 -11.199
   72   3HZ   LYS   3           HZ3      LYS   3  19.639   7.805 -11.151
   73    H    GLY   4           HN       GLY   4  15.021  10.223  -6.554
   74   1HA   GLY   4           HA2      GLY   4  13.542  11.085  -8.081
   75   2HA   GLY   4           HA1      GLY   4  14.363  10.066  -9.253
   76    H    LYS   5           HN       LYS   5  12.675   8.776  -6.473
   77    HA   LYS   5           HA       LYS   5  10.160   8.358  -7.637
   78   1HB   LYS   5           HB2      LYS   5  11.695   6.904  -9.112
   79   2HB   LYS   5           HB1      LYS   5  11.808   5.842  -7.717
   80   1HG   LYS   5           HG2      LYS   5   9.398   5.526  -7.736
   81   2HG   LYS   5           HG1      LYS   5   9.255   6.630  -9.106
   82   1HD   LYS   5           HD2      LYS   5  11.044   4.241  -9.293
   83   2HD   LYS   5           HD1      LYS   5   9.302   4.057  -9.513
   84   1HE   LYS   5           HE2      LYS   5   9.833   4.488 -11.670
   85   2HE   LYS   5           HE1      LYS   5   9.728   6.159 -11.117
   86   1HZ   LYS   5           HZ1      LYS   5  11.940   6.446 -11.288
   87   2HZ   LYS   5           HZ2      LYS   5  11.836   5.166 -12.389
   88   3HZ   LYS   5           HZ3      LYS   5  12.312   4.872 -10.793
   89    H    SER   6           HN       SER   6   8.752   7.144  -6.293
   90    HA   SER   6           HA       SER   6   9.432   7.226  -3.543
   91   1HB   SER   6           HB2      SER   6   7.064   6.067  -5.019
   92   2HB   SER   6           HB1      SER   6   7.200   6.042  -3.260
   93    HG   SER   6           HG       SER   6   6.962   8.179  -3.189
   94    H    SER   7           HN       SER   7   8.071   4.336  -5.080
   95    HA   SER   7           HA       SER   7   8.464   2.121  -4.682
   96   1HB   SER   7           HB2      SER   7  11.377   2.907  -4.818
   97   2HB   SER   7           HB1      SER   7  10.647   1.376  -5.300
   98    HG   SER   7           HG       SER   7  10.582   3.869  -6.593
   99    H    ILE   8           HN       ILE   8  10.475   0.725  -3.413
  100    HA   ILE   8           HA       ILE   8  11.244   1.693  -0.904
  101    HB   ILE   8           HB       ILE   8   8.621   1.508  -0.755
  102   1HG1  ILE   8          HG12      ILE   8  10.198   0.285   1.497
  103   2HG1  ILE   8          HG11      ILE   8  10.386   1.980   1.056
  104   1HG2  ILE   8          HG21      ILE   8   9.252  -1.257   0.194
  105   2HG2  ILE   8          HG22      ILE   8   8.838  -0.970  -1.497
  106   3HG2  ILE   8          HG23      ILE   8   7.694  -0.542  -0.225
  107   1HD1  ILE   8          HD11      ILE   8   8.777   2.268   2.593
  108   2HD1  ILE   8          HD12      ILE   8   8.185   0.613   2.439
  109   3HD1  ILE   8          HD13      ILE   8   7.709   1.835   1.259
  110    H    SER   9           HN       SER   9  11.889  -0.120   0.601
  111    HA   SER   9           HA       SER   9  13.576  -1.926  -0.677
  112   1HB   SER   9           HB2      SER   9  12.740  -2.931   1.907
  113   2HB   SER   9           HB1      SER   9  14.289  -2.230   1.437
  114    HG   SER   9           HG       SER   9  13.468  -0.888   2.965
  115    HA   PRO  10           HA       PRO  10  11.405  -5.699  -1.628
  116   1HB   PRO  10           HB2      PRO  10  11.751  -7.429   0.546
  117   2HB   PRO  10           HB1      PRO  10  12.820  -7.305  -0.856
  118   1HG   PRO  10           HG2      PRO  10  13.078  -6.063   1.844
  119   2HG   PRO  10           HG1      PRO  10  14.338  -6.732   0.790
  120   1HD   PRO  10           HD2      PRO  10  14.017  -4.102   1.019
  121   2HD   PRO  10           HD1      PRO  10  14.391  -4.825  -0.558
  122    H    GLN  11           HN       GLN  11  10.945  -4.328   1.529
  123    HA   GLN  11           HA       GLN  11   8.691  -5.550   2.494
  124   1HB   GLN  11           HB2      GLN  11   9.440  -2.624   2.517
  125   2HB   GLN  11           HB1      GLN  11   8.119  -3.294   3.465
  126   1HG   GLN  11           HG2      GLN  11   9.687  -4.714   4.665
  127   2HG   GLN  11           HG1      GLN  11  11.015  -4.082   3.696
  128   1HE2  GLN  11          HE21      GLN  11  10.296  -1.400   3.631
  129   2HE2  GLN  11          HE22      GLN  11  10.451  -0.740   5.223
  130    H    ALA  12           HN       ALA  12   8.976  -3.446  -0.279
  131    HA   ALA  12           HA       ALA  12   6.472  -2.449  -0.648
  132   1HB   ALA  12           HB1      ALA  12   7.296  -3.658  -3.121
  133   2HB   ALA  12           HB2      ALA  12   8.690  -2.965  -2.293
  134   3HB   ALA  12           HB3      ALA  12   7.291  -1.956  -2.658
  135    H    ARG  13           HN       ARG  13   7.529  -5.685  -1.675
  136    HA   ARG  13           HA       ARG  13   4.814  -6.547  -2.144
  137   1HB   ARG  13           HB2      ARG  13   5.771  -8.609  -2.898
  138   2HB   ARG  13           HB1      ARG  13   6.761  -7.302  -3.534
  139   1HG   ARG  13           HG2      ARG  13   8.121  -7.782  -1.298
  140   2HG   ARG  13           HG1      ARG  13   7.414  -9.380  -1.532
  141   1HD   ARG  13           HD2      ARG  13   8.487  -8.262  -3.992
  142   2HD   ARG  13           HD1      ARG  13   9.709  -8.402  -2.727
  143    HE   ARG  13           HE       ARG  13   8.500 -10.533  -4.188
  144   1HH1  ARG  13          HH11      ARG  13   9.892  -9.688  -1.103
  145   2HH1  ARG  13          HH12      ARG  13  10.355 -11.314  -0.727
  146   1HH2  ARG  13          HH21      ARG  13   9.108 -12.671  -3.695
  147   2HH2  ARG  13          HH22      ARG  13   9.911 -13.007  -2.198
  148    H    ALA  14           HN       ALA  14   7.319  -6.996   0.292
  149    HA   ALA  14           HA       ALA  14   6.084  -9.081   1.733
  150   1HB   ALA  14           HB1      ALA  14   7.825  -8.903   3.166
  151   2HB   ALA  14           HB2      ALA  14   7.738  -7.143   3.226
  152   3HB   ALA  14           HB3      ALA  14   8.497  -7.941   1.850
  153    H    PHE  15           HN       PHE  15   6.198  -5.591   2.449
  154    HA   PHE  15           HA       PHE  15   4.495  -5.631   4.643
  155   1HB   PHE  15           HB2      PHE  15   4.708  -3.365   4.626
  156   2HB   PHE  15           HB1      PHE  15   5.961  -3.707   3.447
  157    HD1  PHE  15           HD1      PHE  15   2.309  -2.988   3.636
  158    HD2  PHE  15           HD2      PHE  15   5.922  -2.589   1.428
  159    HE1  PHE  15           HE1      PHE  15   1.150  -1.554   2.007
  160    HE2  PHE  15           HE2      PHE  15   4.771  -1.156  -0.204
  161    HZ   PHE  15           HZ       PHE  15   2.382  -0.638   0.086
  162    H    LEU  16           HN       LEU  16   3.746  -5.033   1.224
  163    HA   LEU  16           HA       LEU  16   0.947  -4.838   1.602
  164   1HB   LEU  16           HB2      LEU  16   1.916  -3.942  -0.395
  165   2HB   LEU  16           HB1      LEU  16   2.621  -5.490  -0.818
  166    HG   LEU  16           HG       LEU  16  -0.018  -6.142  -0.758
  167   1HD1  LEU  16          HD11      LEU  16  -0.007  -3.443  -2.056
  168   2HD1  LEU  16          HD12      LEU  16  -0.436  -3.642  -0.357
  169   3HD1  LEU  16          HD13      LEU  16  -1.378  -4.457  -1.606
  170   1HD2  LEU  16          HD21      LEU  16   1.163  -6.862  -2.590
  171   2HD2  LEU  16          HD22      LEU  16   1.844  -5.269  -2.916
  172   3HD2  LEU  16          HD23      LEU  16   0.161  -5.607  -3.315
  173    H    GLU  17           HN       GLU  17   3.157  -7.501   1.137
  174    HA   GLU  17           HA       GLU  17   1.379  -9.523   0.412
  175   1HB   GLU  17           HB2      GLU  17   4.073  -9.369   1.546
  176   2HB   GLU  17           HB1      GLU  17   3.188 -10.798   2.065
  177   1HG   GLU  17           HG2      GLU  17   2.847 -11.491  -0.197
  178   2HG   GLU  17           HG1      GLU  17   3.521  -9.981  -0.810
  179    H    GLN  18           HN       GLN  18   2.503  -8.681   3.671
  180    HA   GLN  18           HA       GLN  18   0.628 -10.398   4.939
  181   1HB   GLN  18           HB2      GLN  18   1.280  -8.841   6.979
  182   2HB   GLN  18           HB1      GLN  18   2.383 -10.055   6.352
  183   1HG   GLN  18           HG2      GLN  18   3.878  -8.536   5.702
  184   2HG   GLN  18           HG1      GLN  18   2.648  -7.456   5.052
  185   1HE2  GLN  18          HE21      GLN  18   1.135  -6.868   7.203
  186   2HE2  GLN  18          HE22      GLN  18   2.075  -6.036   8.398
  187    H    VAL  19           HN       VAL  19   0.483  -7.151   3.753
  188    HA   VAL  19           HA       VAL  19  -1.734  -6.296   5.352
  189    HB   VAL  19           HB       VAL  19  -0.691  -5.240   2.717
  190   1HG1  VAL  19          HG11      VAL  19  -1.961  -3.138   3.641
  191   2HG1  VAL  19          HG12      VAL  19  -2.934  -4.355   4.466
  192   3HG1  VAL  19          HG13      VAL  19  -2.812  -4.367   2.707
  193   1HG2  VAL  19          HG21      VAL  19  -0.388  -3.617   5.124
  194   2HG2  VAL  19          HG22      VAL  19   0.777  -4.008   3.863
  195   3HG2  VAL  19          HG23      VAL  19   0.493  -5.144   5.180
  196    H    PHE  20           HN       PHE  20  -1.550  -6.971   1.861
  197    HA   PHE  20           HA       PHE  20  -4.326  -7.137   1.448
  198   1HB   PHE  20           HB2      PHE  20  -2.751  -6.755  -0.378
  199   2HB   PHE  20           HB1      PHE  20  -2.041  -8.342  -0.128
  200    HD1  PHE  20           HD1      PHE  20  -4.582  -6.468  -1.799
  201    HD2  PHE  20           HD2      PHE  20  -3.480 -10.381  -0.539
  202    HE1  PHE  20           HE1      PHE  20  -6.156  -7.432  -3.426
  203    HE2  PHE  20           HE2      PHE  20  -5.053 -11.351  -2.161
  204    HZ   PHE  20           HZ       PHE  20  -6.394  -9.876  -3.608
  205    H    ARG  21           HN       ARG  21  -2.136  -9.328   2.859
  206    HA   ARG  21           HA       ARG  21  -3.587 -11.739   2.283
  207   1HB   ARG  21           HB2      ARG  21  -1.329 -12.125   2.598
  208   2HB   ARG  21           HB1      ARG  21  -1.211 -10.941   3.888
  209   1HG   ARG  21           HG2      ARG  21  -2.811 -12.855   5.013
  210   2HG   ARG  21           HG1      ARG  21  -1.705 -13.805   4.016
  211   1HD   ARG  21           HD2      ARG  21   0.161 -13.078   5.154
  212   2HD   ARG  21           HD1      ARG  21  -0.630 -11.601   5.708
  213    HE   ARG  21           HE       ARG  21  -1.781 -13.983   6.819
  214   1HH1  ARG  21          HH11      ARG  21   0.784 -11.643   7.159
  215   2HH1  ARG  21          HH12      ARG  21   0.981 -11.918   8.857
  216   1HH2  ARG  21          HH21      ARG  21  -1.524 -14.348   9.054
  217   2HH2  ARG  21          HH22      ARG  21  -0.329 -13.454   9.934
  218    H    ARG  22           HN       ARG  22  -3.325  -9.456   4.962
  219    HA   ARG  22           HA       ARG  22  -4.753 -10.889   6.898
  220   1HB   ARG  22           HB2      ARG  22  -4.207  -7.993   6.400
  221   2HB   ARG  22           HB1      ARG  22  -5.378  -8.435   7.634
  222   1HG   ARG  22           HG2      ARG  22  -3.672  -9.783   8.764
  223   2HG   ARG  22           HG1      ARG  22  -2.497  -9.306   7.537
  224   1HD   ARG  22           HD2      ARG  22  -2.248  -7.955   9.545
  225   2HD   ARG  22           HD1      ARG  22  -2.769  -6.964   8.185
  226    HE   ARG  22           HE       ARG  22  -4.292  -7.610  10.572
  227   1HH1  ARG  22          HH11      ARG  22  -4.323  -6.263   7.349
  228   2HH1  ARG  22          HH12      ARG  22  -5.779  -5.364   7.607
  229   1HH2  ARG  22          HH21      ARG  22  -6.207  -6.428  10.906
  230   2HH2  ARG  22          HH22      ARG  22  -6.849  -5.457   9.623
  231    H    LYS  23           HN       LYS  23  -5.794  -8.794   4.293
  232    HA   LYS  23           HA       LYS  23  -8.333 -10.023   4.094
  233   1HB   LYS  23           HB2      LYS  23  -9.795  -8.282   4.825
  234   2HB   LYS  23           HB1      LYS  23  -8.690  -8.634   6.147
  235   1HG   LYS  23           HG2      LYS  23  -7.497  -6.647   5.824
  236   2HG   LYS  23           HG1      LYS  23  -8.189  -6.390   4.227
  237   1HD   LYS  23           HD2      LYS  23  -9.499  -6.050   6.909
  238   2HD   LYS  23           HD1      LYS  23  -9.276  -4.855   5.633
  239   1HE   LYS  23           HE2      LYS  23 -10.802  -6.280   4.210
  240   2HE   LYS  23           HE1      LYS  23 -11.175  -7.186   5.674
  241   1HZ   LYS  23           HZ1      LYS  23 -12.753  -5.346   5.110
  242   2HZ   LYS  23           HZ2      LYS  23 -11.516  -4.249   5.465
  243   3HZ   LYS  23           HZ3      LYS  23 -12.106  -5.276   6.672
  244    H    GLN  24           HN       GLN  24  -9.545  -7.388   3.109
  245    HA   GLN  24           HA       GLN  24  -7.821  -6.853   0.813
  246   1HB   GLN  24           HB2      GLN  24 -10.713  -7.485   0.320
  247   2HB   GLN  24           HB1      GLN  24  -9.382  -7.453  -0.825
  248   1HG   GLN  24           HG2      GLN  24  -9.449  -9.480   1.372
  249   2HG   GLN  24           HG1      GLN  24 -10.377  -9.716  -0.106
  250   1HE2  GLN  24          HE21      GLN  24  -7.695 -10.680   1.293
  251   2HE2  GLN  24          HE22      GLN  24  -6.643 -10.862  -0.073
  252    H    SER  25           HN       SER  25 -10.985  -6.191   2.267
  253    HA   SER  25           HA       SER  25 -11.099  -3.559   1.113
  254   1HB   SER  25           HB2      SER  25 -13.107  -5.009   1.479
  255   2HB   SER  25           HB1      SER  25 -12.915  -4.748   3.212
  256    HG   SER  25           HG       SER  25 -13.967  -3.103   1.314
  257    H    LEU  26           HN       LEU  26  -9.005  -2.908   2.166
  258    HA   LEU  26           HA       LEU  26  -8.993  -2.385   4.982
  259   1HB   LEU  26           HB2      LEU  26  -7.256  -1.159   2.834
  260   2HB   LEU  26           HB1      LEU  26  -6.946  -1.132   4.556
  261    HG   LEU  26           HG       LEU  26  -6.393  -3.228   2.571
  262   1HD1  LEU  26          HD11      LEU  26  -5.088  -1.828   4.677
  263   2HD1  LEU  26          HD12      LEU  26  -4.399  -2.918   3.475
  264   3HD1  LEU  26          HD13      LEU  26  -4.995  -3.558   5.006
  265   1HD2  LEU  26          HD21      LEU  26  -8.076  -4.483   3.652
  266   2HD2  LEU  26          HD22      LEU  26  -7.586  -3.908   5.246
  267   3HD2  LEU  26          HD23      LEU  26  -6.547  -5.015   4.350
  268    H    ASN  27           HN       ASN  27 -10.395  -0.951   5.819
  269    HA   ASN  27           HA       ASN  27 -11.283   1.317   4.252
  270   1HB   ASN  27           HB2      ASN  27 -12.966   1.625   5.851
  271   2HB   ASN  27           HB1      ASN  27 -12.746  -0.120   5.816
  272   1HD2  ASN  27          HD21      ASN  27 -11.677  -1.131   7.549
  273   2HD2  ASN  27          HD22      ASN  27 -11.551  -0.364   9.097
  274    H    SER  28           HN       SER  28 -11.528   3.446   5.640
  275    HA   SER  28           HA       SER  28  -9.112   4.695   5.796
  276   1HB   SER  28           HB2      SER  28 -11.780   5.237   6.984
  277   2HB   SER  28           HB1      SER  28 -10.417   6.155   7.630
  278    HG   SER  28           HG       SER  28 -11.729   6.774   5.531
  279    H    LYS  29           HN       LYS  29 -10.591   2.686   8.223
  280    HA   LYS  29           HA       LYS  29  -8.810   3.451  10.337
  281   1HB   LYS  29           HB2      LYS  29 -10.859   1.290   9.970
  282   2HB   LYS  29           HB1      LYS  29  -9.787   1.280  11.362
  283   1HG   LYS  29           HG2      LYS  29 -11.773   3.412  10.614
  284   2HG   LYS  29           HG1      LYS  29 -11.850   2.309  11.990
  285   1HD   LYS  29           HD2      LYS  29 -10.889   3.965  13.152
  286   2HD   LYS  29           HD1      LYS  29  -9.403   3.507  12.317
  287   1HE   LYS  29           HE2      LYS  29  -9.765   5.172  10.631
  288   2HE   LYS  29           HE1      LYS  29 -11.372   5.535  11.267
  289   1HZ   LYS  29           HZ1      LYS  29  -9.848   7.210  11.989
  290   2HZ   LYS  29           HZ2      LYS  29  -8.772   6.059  12.601
  291   3HZ   LYS  29           HZ3      LYS  29 -10.278   6.282  13.335
  292    H    GLU  30           HN       GLU  30  -9.138   0.609   8.238
  293    HA   GLU  30           HA       GLU  30  -6.827  -0.692   9.254
  294   1HB   GLU  30           HB2      GLU  30  -8.313  -1.105   6.652
  295   2HB   GLU  30           HB1      GLU  30  -7.081  -2.182   7.298
  296   1HG   GLU  30           HG2      GLU  30  -8.716  -2.156   9.391
  297   2HG   GLU  30           HG1      GLU  30  -9.893  -1.785   8.133
  298    H    LYS  31           HN       LYS  31  -7.509   1.418   6.526
  299    HA   LYS  31           HA       LYS  31  -5.054   1.175   5.211
  300   1HB   LYS  31           HB2      LYS  31  -5.802   2.879   3.884
  301   2HB   LYS  31           HB1      LYS  31  -7.318   2.412   4.623
  302   1HG   LYS  31           HG2      LYS  31  -7.152   4.221   6.211
  303   2HG   LYS  31           HG1      LYS  31  -5.561   4.654   5.576
  304   1HD   LYS  31           HD2      LYS  31  -6.481   5.321   3.497
  305   2HD   LYS  31           HD1      LYS  31  -8.054   4.627   3.892
  306   1HE   LYS  31           HE2      LYS  31  -8.702   6.523   4.854
  307   2HE   LYS  31           HE1      LYS  31  -7.290   6.517   5.910
  308   1HZ   LYS  31           HZ1      LYS  31  -7.693   7.884   3.350
  309   2HZ   LYS  31           HZ2      LYS  31  -6.129   7.374   3.744
  310   3HZ   LYS  31           HZ3      LYS  31  -6.952   8.441   4.766
  311    H    GLU  32           HN       GLU  32  -6.060   3.070   7.976
  312    HA   GLU  32           HA       GLU  32  -3.500   4.450   8.109
  313   1HB   GLU  32           HB2      GLU  32  -4.467   5.786   9.824
  314   2HB   GLU  32           HB1      GLU  32  -5.709   5.578   8.597
  315   1HG   GLU  32           HG2      GLU  32  -6.875   3.992   9.924
  316   2HG   GLU  32           HG1      GLU  32  -5.551   3.895  11.083
  317    H    GLU  33           HN       GLU  33  -5.326   1.979   9.801
  318    HA   GLU  33           HA       GLU  33  -3.492   1.668  11.966
  319   1HB   GLU  33           HB2      GLU  33  -5.723  -0.050  10.883
  320   2HB   GLU  33           HB1      GLU  33  -4.795  -0.475  12.310
  321   1HG   GLU  33           HG2      GLU  33  -5.966   2.223  12.294
  322   2HG   GLU  33           HG1      GLU  33  -7.105   0.882  12.373
  323    H    VAL  34           HN       VAL  34  -3.945   0.223   8.826
  324    HA   VAL  34           HA       VAL  34  -1.997  -1.863   9.222
  325    HB   VAL  34           HB       VAL  34  -3.430  -0.915   6.729
  326   1HG1  VAL  34          HG11      VAL  34  -2.107  -3.577   6.900
  327   2HG1  VAL  34          HG12      VAL  34  -1.118  -2.164   6.540
  328   3HG1  VAL  34          HG13      VAL  34  -2.470  -2.584   5.491
  329   1HG2  VAL  34          HG21      VAL  34  -3.980  -3.583   7.806
  330   2HG2  VAL  34          HG22      VAL  34  -5.087  -2.343   7.217
  331   3HG2  VAL  34          HG23      VAL  34  -4.463  -2.257   8.864
  332    H    ALA  35           HN       ALA  35  -2.163   1.282   7.631
  333    HA   ALA  35           HA       ALA  35   0.316   1.172   6.316
  334   1HB   ALA  35           HB1      ALA  35  -0.821   2.915   5.488
  335   2HB   ALA  35           HB2      ALA  35   0.049   3.805   6.730
  336   3HB   ALA  35           HB3      ALA  35  -1.604   3.276   7.023
  337    H    LYS  36           HN       LYS  36  -0.517   1.965   9.619
  338    HA   LYS  36           HA       LYS  36   2.124   3.011  10.189
  339   1HB   LYS  36           HB2      LYS  36   1.283   3.471  12.395
  340   2HB   LYS  36           HB1      LYS  36   0.094   3.985  11.207
  341   1HG   LYS  36           HG2      LYS  36  -1.186   1.934  11.614
  342   2HG   LYS  36           HG1      LYS  36  -0.004   1.453  12.833
  343   1HD   LYS  36           HD2      LYS  36  -0.571   3.849  13.802
  344   2HD   LYS  36           HD1      LYS  36  -2.077   3.587  12.921
  345   1HE   LYS  36           HE2      LYS  36  -2.626   2.675  14.947
  346   2HE   LYS  36           HE1      LYS  36  -1.991   1.252  14.124
  347   1HZ   LYS  36           HZ1      LYS  36  -1.143   2.288  16.527
  348   2HZ   LYS  36           HZ2      LYS  36   0.085   2.686  15.433
  349   3HZ   LYS  36           HZ3      LYS  36  -0.386   1.073  15.624
  350    H    LYS  37           HN       LYS  37   0.546  -0.048  10.352
  351    HA   LYS  37           HA       LYS  37   2.605  -1.056  12.189
  352   1HB   LYS  37           HB2      LYS  37   1.181  -2.975  12.553
  353   2HB   LYS  37           HB1      LYS  37   0.249  -1.503  12.792
  354   1HG   LYS  37           HG2      LYS  37  -0.514  -1.800  10.378
  355   2HG   LYS  37           HG1      LYS  37   0.138  -3.435  10.503
  356   1HD   LYS  37           HD2      LYS  37  -1.965  -2.233  12.306
  357   2HD   LYS  37           HD1      LYS  37  -2.264  -3.378  10.996
  358   1HE   LYS  37           HE2      LYS  37  -0.481  -3.943  13.359
  359   2HE   LYS  37           HE1      LYS  37  -2.182  -4.397  13.280
  360   1HZ   LYS  37           HZ1      LYS  37  -0.566  -5.234  11.024
  361   2HZ   LYS  37           HZ2      LYS  37  -1.756  -6.079  11.877
  362   3HZ   LYS  37           HZ3      LYS  37  -0.186  -5.977  12.495
  363    H    CYS  38           HN       CYS  38   1.494  -1.227   8.915
  364    HA   CYS  38           HA       CYS  38   3.202  -3.536   8.373
  365   1HB   CYS  38           HB2      CYS  38   1.218  -2.092   6.609
  366   2HB   CYS  38           HB1      CYS  38   2.150  -3.507   6.129
  367    HG   CYS  38           HG       CYS  38  -0.053  -3.587   8.327
  368    H    GLY  39           HN       GLY  39   3.054  -0.092   7.893
  369   1HA   GLY  39           HA2      GLY  39   5.205   1.012   7.567
  370   2HA   GLY  39           HA1      GLY  39   5.636  -0.283   6.464
  371    H    ILE  40           HN       ILE  40   2.453   1.122   6.354
  372    HA   ILE  40           HA       ILE  40   3.203   2.452   3.836
  373    HB   ILE  40           HB       ILE  40   0.343   2.060   4.134
  374   1HG1  ILE  40          HG12      ILE  40   1.951  -0.483   3.884
  375   2HG1  ILE  40          HG11      ILE  40   1.199   0.024   5.389
  376   1HG2  ILE  40          HG21      ILE  40   2.064   2.428   2.099
  377   2HG2  ILE  40          HG22      ILE  40   0.444   1.758   1.902
  378   3HG2  ILE  40          HG23      ILE  40   1.837   0.681   2.001
  379   1HD1  ILE  40          HD11      ILE  40  -0.020  -1.634   3.803
  380   2HD1  ILE  40          HD12      ILE  40  -0.455  -0.169   2.923
  381   3HD1  ILE  40          HD13      ILE  40  -0.925  -0.353   4.612
  382    H    THR  41           HN       THR  41   0.832   3.959   3.531
  383    HA   THR  41           HA       THR  41   0.565   5.558   5.945
  384    HB   THR  41           HB       THR  41   1.060   7.324   3.691
  385    HG1  THR  41           HG1      THR  41   3.247   5.755   4.572
  386   1HG2  THR  41          HG21      THR  41   1.446   8.590   5.467
  387   2HG2  THR  41          HG22      THR  41   3.008   7.780   5.584
  388   3HG2  THR  41          HG23      THR  41   1.636   7.189   6.522
  389    HA   PRO  42           HA       PRO  42  -3.617   6.241   4.794
  390   1HB   PRO  42           HB2      PRO  42  -3.059   9.167   4.991
  391   2HB   PRO  42           HB1      PRO  42  -4.342   8.215   5.744
  392   1HG   PRO  42           HG2      PRO  42  -2.251   9.022   7.174
  393   2HG   PRO  42           HG1      PRO  42  -2.945   7.407   7.415
  394   1HD   PRO  42           HD2      PRO  42  -0.436   8.205   6.012
  395   2HD   PRO  42           HD1      PRO  42  -0.778   6.756   6.978
  396    H    LEU  43           HN       LEU  43  -1.091   7.991   3.142
  397    HA   LEU  43           HA       LEU  43  -2.821   8.673   0.904
  398   1HB   LEU  43           HB2      LEU  43  -1.006  10.196   1.807
  399   2HB   LEU  43           HB1      LEU  43   0.157   9.080   1.118
  400    HG   LEU  43           HG       LEU  43  -0.644   9.537  -1.116
  401   1HD1  LEU  43          HD11      LEU  43  -2.829  10.928   0.348
  402   2HD1  LEU  43          HD12      LEU  43  -2.905   9.882  -1.069
  403   3HD1  LEU  43          HD13      LEU  43  -2.336  11.545  -1.229
  404   1HD2  LEU  43          HD21      LEU  43  -0.176  12.010  -1.209
  405   2HD2  LEU  43          HD22      LEU  43   1.046  11.035  -0.393
  406   3HD2  LEU  43          HD23      LEU  43  -0.103  11.982   0.553
  407    H    GLN  44           HN       GLN  44  -0.431   6.312   1.808
  408    HA   GLN  44           HA       GLN  44  -0.045   5.348  -0.884
  409   1HB   GLN  44           HB2      GLN  44   0.702   3.776   1.546
  410   2HB   GLN  44           HB1      GLN  44   1.516   3.863  -0.007
  411   1HG   GLN  44           HG2      GLN  44   1.456   6.038   2.070
  412   2HG   GLN  44           HG1      GLN  44   2.803   4.950   1.750
  413   1HE2  GLN  44          HE21      GLN  44   2.079   7.976   1.426
  414   2HE2  GLN  44          HE22      GLN  44   2.768   8.355  -0.118
  415    H    VAL  45           HN       VAL  45  -1.393   3.973   2.090
  416    HA   VAL  45           HA       VAL  45  -2.445   1.637   1.350
  417    HB   VAL  45           HB       VAL  45  -4.374   2.089   2.857
  418   1HG1  VAL  45          HG11      VAL  45  -2.974   1.571   4.506
  419   2HG1  VAL  45          HG12      VAL  45  -2.250   3.178   4.465
  420   3HG1  VAL  45          HG13      VAL  45  -1.644   1.911   3.399
  421   1HG2  VAL  45          HG21      VAL  45  -3.289   4.859   2.596
  422   2HG2  VAL  45          HG22      VAL  45  -4.028   4.360   4.117
  423   3HG2  VAL  45          HG23      VAL  45  -4.964   4.308   2.623
  424    H    ARG  46           HN       ARG  46  -3.709   4.755   0.301
  425    HA   ARG  46           HA       ARG  46  -6.020   3.529  -0.924
  426   1HB   ARG  46           HB2      ARG  46  -6.169   5.959  -1.926
  427   2HB   ARG  46           HB1      ARG  46  -6.640   5.630  -0.272
  428   1HG   ARG  46           HG2      ARG  46  -4.913   6.800   0.592
  429   2HG   ARG  46           HG1      ARG  46  -3.826   6.389  -0.728
  430   1HD   ARG  46           HD2      ARG  46  -4.787   8.836  -0.417
  431   2HD   ARG  46           HD1      ARG  46  -4.488   8.147  -2.011
  432    HE   ARG  46           HE       ARG  46  -6.721   8.307  -2.410
  433   1HH1  ARG  46          HH11      ARG  46  -6.255   8.192   1.047
  434   2HH1  ARG  46          HH12      ARG  46  -7.936   8.404   1.406
  435   1HH2  ARG  46          HH21      ARG  46  -8.930   8.589  -1.940
  436   2HH2  ARG  46          HH22      ARG  46  -9.454   8.629  -0.290
  437    H    VAL  47           HN       VAL  47  -3.236   5.405  -2.173
  438    HA   VAL  47           HA       VAL  47  -3.736   4.716  -4.884
  439    HB   VAL  47           HB       VAL  47  -1.555   5.664  -5.366
  440   1HG1  VAL  47          HG11      VAL  47  -1.869   7.821  -3.833
  441   2HG1  VAL  47          HG12      VAL  47  -3.420   7.041  -3.521
  442   3HG1  VAL  47          HG13      VAL  47  -2.953   7.445  -5.173
  443   1HG2  VAL  47          HG21      VAL  47  -1.152   5.436  -2.394
  444   2HG2  VAL  47          HG22      VAL  47  -0.170   6.497  -3.403
  445   3HG2  VAL  47          HG23      VAL  47  -0.163   4.756  -3.685
  446    H    TRP  48           HN       TRP  48  -1.529   3.481  -2.436
  447    HA   TRP  48           HA       TRP  48  -0.149   1.651  -4.039
  448   1HB   TRP  48           HB2      TRP  48  -0.040   2.526  -1.408
  449   2HB   TRP  48           HB1      TRP  48  -0.408   0.813  -1.262
  450    HD1  TRP  48           HD1      TRP  48   2.334   3.223  -2.297
  451    HE1  TRP  48           HE1      TRP  48   4.517   1.916  -2.680
  452    HE3  TRP  48           HE3      TRP  48   0.492  -1.536  -2.008
  453    HZ2  TRP  48           HZ2      TRP  48   5.349  -0.774  -2.840
  454    HZ3  TRP  48           HZ3      TRP  48   2.050  -3.420  -2.288
  455    HH2  TRP  48           HH2      TRP  48   4.426  -3.046  -2.696
  456    H    PHE  49           HN       PHE  49  -2.886   1.076  -1.782
  457    HA   PHE  49           HA       PHE  49  -3.186  -1.644  -2.489
  458   1HB   PHE  49           HB2      PHE  49  -5.225   0.283  -1.356
  459   2HB   PHE  49           HB1      PHE  49  -5.448  -1.455  -1.473
  460    HD1  PHE  49           HD1      PHE  49  -2.209  -1.541  -0.748
  461    HD2  PHE  49           HD2      PHE  49  -5.813  -0.179   1.062
  462    HE1  PHE  49           HE1      PHE  49  -1.195  -1.818   1.479
  463    HE2  PHE  49           HE2      PHE  49  -4.805  -0.450   3.285
  464    HZ   PHE  49           HZ       PHE  49  -2.497  -1.268   3.500
  465    H    ILE  50           HN       ILE  50  -4.319   1.327  -3.938
  466    HA   ILE  50           HA       ILE  50  -6.455   0.424  -5.454
  467    HB   ILE  50           HB       ILE  50  -4.516   2.644  -5.707
  468   1HG1  ILE  50          HG12      ILE  50  -6.733   2.737  -4.526
  469   2HG1  ILE  50          HG11      ILE  50  -6.503   3.980  -5.751
  470   1HG2  ILE  50          HG21      ILE  50  -5.580   3.281  -7.940
  471   2HG2  ILE  50          HG22      ILE  50  -6.031   1.581  -8.071
  472   3HG2  ILE  50          HG23      ILE  50  -4.330   2.037  -7.963
  473   1HD1  ILE  50          HD11      ILE  50  -7.796   1.536  -6.717
  474   2HD1  ILE  50          HD12      ILE  50  -8.198   3.229  -7.002
  475   3HD1  ILE  50          HD13      ILE  50  -8.710   2.440  -5.510
  476    H    ASN  51           HN       ASN  51  -3.018   0.506  -6.393
  477    HA   ASN  51           HA       ASN  51  -3.505  -1.006  -8.793
  478   1HB   ASN  51           HB2      ASN  51  -1.073   0.122  -7.447
  479   2HB   ASN  51           HB1      ASN  51  -0.885  -1.075  -8.725
  480   1HD2  ASN  51          HD21      ASN  51  -0.099   1.725  -8.663
  481   2HD2  ASN  51          HD22      ASN  51  -0.892   2.477 -10.008
  482    H    LYS  52           HN       LYS  52  -2.484  -1.650  -5.523
  483    HA   LYS  52           HA       LYS  52  -1.803  -4.416  -6.161
  484   1HB   LYS  52           HB2      LYS  52  -1.500  -2.691  -3.721
  485   2HB   LYS  52           HB1      LYS  52  -1.362  -4.437  -3.599
  486   1HG   LYS  52           HG2      LYS  52   0.375  -2.546  -5.159
  487   2HG   LYS  52           HG1      LYS  52   0.830  -3.584  -3.809
  488   1HD   LYS  52           HD2      LYS  52   0.193  -5.546  -5.295
  489   2HD   LYS  52           HD1      LYS  52   0.144  -4.387  -6.625
  490   1HE   LYS  52           HE2      LYS  52   2.460  -3.830  -6.291
  491   2HE   LYS  52           HE1      LYS  52   2.533  -4.829  -4.840
  492   1HZ   LYS  52           HZ1      LYS  52   1.902  -6.732  -6.376
  493   2HZ   LYS  52           HZ2      LYS  52   3.476  -6.127  -6.512
  494   3HZ   LYS  52           HZ3      LYS  52   2.304  -5.700  -7.655
  495    H    ARG  53           HN       ARG  53  -4.590  -3.155  -6.143
  496    HA   ARG  53           HA       ARG  53  -6.012  -5.397  -5.244
  497   1HB   ARG  53           HB2      ARG  53  -5.327  -4.334  -3.025
  498   2HB   ARG  53           HB1      ARG  53  -6.410  -3.015  -3.442
  499   1HG   ARG  53           HG2      ARG  53  -8.140  -4.953  -3.786
  500   2HG   ARG  53           HG1      ARG  53  -7.054  -5.818  -2.700
  501   1HD   ARG  53           HD2      ARG  53  -8.858  -4.702  -1.478
  502   2HD   ARG  53           HD1      ARG  53  -7.278  -4.054  -1.042
  503    HE   ARG  53           HE       ARG  53  -8.573  -2.573  -3.130
  504   1HH1  ARG  53          HH11      ARG  53  -8.313  -2.984   0.325
  505   2HH1  ARG  53          HH12      ARG  53  -8.833  -1.372   0.682
  506   1HH2  ARG  53          HH21      ARG  53  -9.258  -0.451  -2.661
  507   2HH2  ARG  53          HH22      ARG  53  -9.372   0.065  -1.012
  508    H    MET  54           HN       MET  54  -5.862  -3.497  -7.471
  509    HA   MET  54           HA       MET  54  -7.946  -1.683  -7.581
  510   1HB   MET  54           HB2      MET  54  -6.081  -2.669  -9.366
  511   2HB   MET  54           HB1      MET  54  -7.609  -3.172 -10.075
  512   1HG   MET  54           HG2      MET  54  -8.091  -0.563  -9.377
  513   2HG   MET  54           HG1      MET  54  -6.406  -0.530  -9.893
  514   1HE   MET  54           HE1      MET  54  -7.016  -3.279 -11.977
  515   2HE   MET  54           HE2      MET  54  -5.748  -2.063 -12.118
  516   3HE   MET  54           HE3      MET  54  -6.871  -2.324 -13.452
  517    H    ARG  55           HN       ARG  55  -9.714  -2.547  -6.436
  518    HA   ARG  55           HA       ARG  55 -11.000  -4.966  -7.195
  519   1HB   ARG  55           HB2      ARG  55 -11.912  -2.615  -5.536
  520   2HB   ARG  55           HB1      ARG  55 -12.887  -4.058  -5.779
  521   1HG   ARG  55           HG2      ARG  55 -10.240  -4.776  -4.922
  522   2HG   ARG  55           HG1      ARG  55 -10.959  -3.611  -3.808
  523   1HD   ARG  55           HD2      ARG  55 -11.467  -5.903  -3.138
  524   2HD   ARG  55           HD1      ARG  55 -12.932  -5.029  -3.585
  525    HE   ARG  55           HE       ARG  55 -13.231  -6.481  -5.332
  526   1HH1  ARG  55          HH11      ARG  55  -9.984  -6.835  -4.104
  527   2HH1  ARG  55          HH12      ARG  55  -9.643  -8.242  -5.054
  528   1HH2  ARG  55          HH21      ARG  55 -12.786  -8.332  -6.582
  529   2HH2  ARG  55          HH22      ARG  55 -11.234  -9.092  -6.463
  530    H    SER  56           HN       SER  56 -11.603  -1.543  -7.864
  531    HA   SER  56           HA       SER  56 -13.946  -2.029  -9.429
  532   1HB   SER  56           HB2      SER  56 -13.575   0.119  -8.277
  533   2HB   SER  56           HB1      SER  56 -12.176   0.426  -9.307
  534    HG   SER  56           HG       SER  56 -13.629   1.360 -10.520
  535    H    LYS  57           HN       LYS  57 -14.046  -2.719 -11.455
  536    HA   LYS  57           HA       LYS  57 -13.474  -3.286 -13.581
  537   1HB   LYS  57           HB2      LYS  57 -13.135  -0.737 -13.607
  538   2HB   LYS  57           HB1      LYS  57 -11.415  -1.090 -13.507
  539   1HG   LYS  57           HG2      LYS  57 -12.171  -2.696 -15.564
  540   2HG   LYS  57           HG1      LYS  57 -13.261  -1.324 -15.766
  541   1HD   LYS  57           HD2      LYS  57 -11.330  -0.821 -17.036
  542   2HD   LYS  57           HD1      LYS  57 -11.220   0.158 -15.573
  543   1HE   LYS  57           HE2      LYS  57  -9.433  -0.988 -14.777
  544   2HE   LYS  57           HE1      LYS  57  -9.971  -2.518 -15.469
  545   1HZ   LYS  57           HZ1      LYS  57  -8.849  -0.292 -17.079
  546   2HZ   LYS  57           HZ2      LYS  57  -9.171  -1.870 -17.595
  547   3HZ   LYS  57           HZ3      LYS  57  -7.925  -1.582 -16.490
  Start of MODEL    3
    1   1H    LYS  -3           HT1      LYS  -3   7.431  18.236  -4.836
    2   2H    LYS  -3           HT2      LYS  -3   5.880  17.895  -4.183
    3   3H    LYS  -3           HT3      LYS  -3   6.072  18.117  -5.875
    4    HA   LYS  -3           HA       LYS  -3   7.536  16.020  -4.465
    5   1HB   LYS  -3           HB2      LYS  -3   5.104  15.890  -3.884
    6   2HB   LYS  -3           HB1      LYS  -3   4.741  15.782  -5.601
    7   1HG   LYS  -3           HG2      LYS  -3   6.534  13.779  -5.350
    8   2HG   LYS  -3           HG1      LYS  -3   5.783  13.750  -3.753
    9   1HD   LYS  -3           HD2      LYS  -3   3.560  13.672  -4.869
   10   2HD   LYS  -3           HD1      LYS  -3   4.390  13.537  -6.421
   11   1HE   LYS  -3           HE2      LYS  -3   4.353  11.582  -4.140
   12   2HE   LYS  -3           HE1      LYS  -3   3.839  11.332  -5.809
   13   1HZ   LYS  -3           HZ1      LYS  -3   5.908  10.277  -5.604
   14   2HZ   LYS  -3           HZ2      LYS  -3   6.601  11.575  -4.769
   15   3HZ   LYS  -3           HZ3      LYS  -3   6.242  11.723  -6.415
   16    H    LYS  -2           HN       LYS  -2   8.817  17.190  -6.361
   17    HA   LYS  -2           HA       LYS  -2   8.390  15.522  -8.745
   18   1HB   LYS  -2           HB2      LYS  -2   9.078  17.409 -10.169
   19   2HB   LYS  -2           HB1      LYS  -2   7.600  17.759  -9.283
   20   1HG   LYS  -2           HG2      LYS  -2   9.417  18.762  -7.572
   21   2HG   LYS  -2           HG1      LYS  -2  10.258  19.009  -9.104
   22   1HD   LYS  -2           HD2      LYS  -2   7.412  19.868  -8.618
   23   2HD   LYS  -2           HD1      LYS  -2   8.804  20.919  -8.346
   24   1HE   LYS  -2           HE2      LYS  -2   9.430  20.284 -10.785
   25   2HE   LYS  -2           HE1      LYS  -2   7.736  19.814 -10.913
   26   1HZ   LYS  -2           HZ1      LYS  -2   7.117  22.059 -10.219
   27   2HZ   LYS  -2           HZ2      LYS  -2   8.045  22.083 -11.634
   28   3HZ   LYS  -2           HZ3      LYS  -2   8.749  22.501 -10.154
   29    H    GLU  -1           HN       GLU  -1  10.123  14.966  -6.588
   30    HA   GLU  -1           HA       GLU  -1  12.624  14.797  -8.032
   31   1HB   GLU  -1           HB2      GLU  -1  12.490  16.983  -6.562
   32   2HB   GLU  -1           HB1      GLU  -1  12.846  15.869  -5.250
   33   1HG   GLU  -1           HG2      GLU  -1  14.906  16.769  -5.965
   34   2HG   GLU  -1           HG1      GLU  -1  14.842  15.113  -6.563
   35    H    LYS   0           HN       LYS   0  12.768  12.634  -7.970
   36    HA   LYS   0           HA       LYS   0  12.286  11.246  -5.433
   37   1HB   LYS   0           HB2      LYS   0  12.309  10.385  -8.303
   38   2HB   LYS   0           HB1      LYS   0  12.552   9.195  -7.033
   39   1HG   LYS   0           HG2      LYS   0  10.345   9.018  -6.933
   40   2HG   LYS   0           HG1      LYS   0  10.335  10.618  -6.190
   41   1HD   LYS   0           HD2      LYS   0  10.141  11.633  -8.422
   42   2HD   LYS   0           HD1      LYS   0  10.109  10.023  -9.141
   43   1HE   LYS   0           HE2      LYS   0   8.153  10.277  -7.025
   44   2HE   LYS   0           HE1      LYS   0   7.926  11.513  -8.263
   45   1HZ   LYS   0           HZ1      LYS   0   6.861   9.136  -8.480
   46   2HZ   LYS   0           HZ2      LYS   0   8.369   8.759  -9.146
   47   3HZ   LYS   0           HZ3      LYS   0   7.420   9.975  -9.839
   48    H    SER   1           HN       SER   1  14.738  12.819  -6.131
   49    HA   SER   1           HA       SER   1  16.989  12.678  -5.847
   50   1HB   SER   1           HB2      SER   1  16.727   9.931  -4.684
   51   2HB   SER   1           HB1      SER   1  17.752  11.271  -4.169
   52    HG   SER   1           HG       SER   1  16.115  12.134  -3.082
   53    HA   PRO   2           HA       PRO   2  18.880  10.570  -9.208
   54   1HB   PRO   2           HB2      PRO   2  21.088   9.700  -7.424
   55   2HB   PRO   2           HB1      PRO   2  21.150  10.655  -8.908
   56   1HG   PRO   2           HG2      PRO   2  21.509  11.800  -6.526
   57   2HG   PRO   2           HG1      PRO   2  20.619  12.629  -7.817
   58   1HD   PRO   2           HD2      PRO   2  19.574  11.223  -5.393
   59   2HD   PRO   2           HD1      PRO   2  19.008  12.722  -6.160
   60    H    LYS   3           HN       LYS   3  17.201   8.914  -9.173
   61    HA   LYS   3           HA       LYS   3  18.284   6.296  -9.073
   62   1HB   LYS   3           HB2      LYS   3  17.881   6.706  -6.638
   63   2HB   LYS   3           HB1      LYS   3  16.170   6.890  -6.997
   64   1HG   LYS   3           HG2      LYS   3  16.260   4.558  -7.973
   65   2HG   LYS   3           HG1      LYS   3  17.860   4.421  -7.245
   66   1HD   LYS   3           HD2      LYS   3  16.251   5.404  -5.202
   67   2HD   LYS   3           HD1      LYS   3  15.241   4.210  -6.019
   68   1HE   LYS   3           HE2      LYS   3  16.355   2.925  -4.449
   69   2HE   LYS   3           HE1      LYS   3  17.349   2.708  -5.889
   70   1HZ   LYS   3           HZ1      LYS   3  18.562   4.796  -4.858
   71   2HZ   LYS   3           HZ2      LYS   3  18.958   3.217  -4.397
   72   3HZ   LYS   3           HZ3      LYS   3  17.941   4.152  -3.421
   73    H    GLY   4           HN       GLY   4  16.972   4.781 -10.102
   74   1HA   GLY   4           HA2      GLY   4  14.233   5.395 -10.757
   75   2HA   GLY   4           HA1      GLY   4  15.329   5.567 -12.119
   76    H    LYS   5           HN       LYS   5  14.797   3.224  -9.481
   77    HA   LYS   5           HA       LYS   5  14.523   1.112 -11.486
   78   1HB   LYS   5           HB2      LYS   5  16.483   1.062  -9.188
   79   2HB   LYS   5           HB1      LYS   5  16.021  -0.363 -10.109
   80   1HG   LYS   5           HG2      LYS   5  17.102   0.366 -12.026
   81   2HG   LYS   5           HG1      LYS   5  17.123   2.048 -11.493
   82   1HD   LYS   5           HD2      LYS   5  18.748   1.485  -9.759
   83   2HD   LYS   5           HD1      LYS   5  18.713  -0.204 -10.265
   84   1HE   LYS   5           HE2      LYS   5  19.283   0.961 -12.615
   85   2HE   LYS   5           HE1      LYS   5  20.015   2.133 -11.519
   86   1HZ   LYS   5           HZ1      LYS   5  20.952  -0.098 -10.471
   87   2HZ   LYS   5           HZ2      LYS   5  21.747   0.719 -11.721
   88   3HZ   LYS   5           HZ3      LYS   5  20.780  -0.624 -12.071
   89    H    SER   6           HN       SER   6  14.654   1.604  -7.951
   90    HA   SER   6           HA       SER   6  12.083   0.180  -7.758
   91   1HB   SER   6           HB2      SER   6  12.820  -0.881  -5.696
   92   2HB   SER   6           HB1      SER   6  13.959  -1.259  -6.990
   93    HG   SER   6           HG       SER   6  15.307  -0.602  -5.471
   94    H    SER   7           HN       SER   7  11.408   0.487  -5.217
   95    HA   SER   7           HA       SER   7  11.537   3.387  -4.711
   96   1HB   SER   7           HB2      SER   7   9.136   2.668  -3.618
   97   2HB   SER   7           HB1      SER   7   9.332   3.359  -5.227
   98    HG   SER   7           HG       SER   7   9.008   1.437  -6.116
   99    H    ILE   8           HN       ILE   8  10.259   0.524  -3.007
  100    HA   ILE   8           HA       ILE   8  11.814   1.362  -0.647
  101    HB   ILE   8           HB       ILE   8   9.181   1.347  -0.644
  102   1HG1  ILE   8          HG12      ILE   8  10.626   0.050   1.666
  103   2HG1  ILE   8          HG11      ILE   8  10.795   1.758   1.272
  104   1HG2  ILE   8          HG21      ILE   8   9.417  -1.214  -1.326
  105   2HG2  ILE   8          HG22      ILE   8   8.075  -0.613  -0.351
  106   3HG2  ILE   8          HG23      ILE   8   9.448  -1.401   0.428
  107   1HD1  ILE   8          HD11      ILE   8   8.250   0.341   2.031
  108   2HD1  ILE   8          HD12      ILE   8   8.374   2.041   1.579
  109   3HD1  ILE   8          HD13      ILE   8   9.177   1.454   3.036
  110    H    SER   9           HN       SER   9  12.327  -0.457   0.862
  111    HA   SER   9           HA       SER   9  13.925  -2.385  -0.347
  112   1HB   SER   9           HB2      SER   9  12.943  -3.269   2.241
  113   2HB   SER   9           HB1      SER   9  14.561  -2.732   1.786
  114    HG   SER   9           HG       SER   9  12.376  -1.188   2.688
  115    HA   PRO  10           HA       PRO  10  11.556  -6.047  -1.283
  116   1HB   PRO  10           HB2      PRO  10  11.737  -7.766   0.909
  117   2HB   PRO  10           HB1      PRO  10  12.876  -7.701  -0.439
  118   1HG   PRO  10           HG2      PRO  10  13.049  -6.425   2.257
  119   2HG   PRO  10           HG1      PRO  10  14.328  -7.198   1.297
  120   1HD   PRO  10           HD2      PRO  10  14.162  -4.555   1.438
  121   2HD   PRO  10           HD1      PRO  10  14.559  -5.338  -0.104
  122    H    GLN  11           HN       GLN  11  11.073  -4.573   1.811
  123    HA   GLN  11           HA       GLN  11   8.711  -5.670   2.709
  124   1HB   GLN  11           HB2      GLN  11   9.642  -2.798   2.815
  125   2HB   GLN  11           HB1      GLN  11   8.316  -3.449   3.772
  126   1HG   GLN  11           HG2      GLN  11   9.719  -4.221   5.302
  127   2HG   GLN  11           HG1      GLN  11  10.668  -5.067   4.084
  128   1HE2  GLN  11          HE21      GLN  11  10.112  -1.598   4.304
  129   2HE2  GLN  11          HE22      GLN  11  11.765  -1.167   4.595
  130    H    ALA  12           HN       ALA  12   9.224  -3.661  -0.082
  131    HA   ALA  12           HA       ALA  12   6.792  -2.440  -0.456
  132   1HB   ALA  12           HB1      ALA  12   9.006  -3.104  -2.079
  133   2HB   ALA  12           HB2      ALA  12   7.720  -1.947  -2.418
  134   3HB   ALA  12           HB3      ALA  12   7.560  -3.623  -2.945
  135    H    ARG  13           HN       ARG  13   7.670  -5.702  -1.563
  136    HA   ARG  13           HA       ARG  13   4.920  -6.400  -2.086
  137   1HB   ARG  13           HB2      ARG  13   5.778  -8.482  -2.890
  138   2HB   ARG  13           HB1      ARG  13   6.873  -7.224  -3.447
  139   1HG   ARG  13           HG2      ARG  13   8.112  -7.863  -1.177
  140   2HG   ARG  13           HG1      ARG  13   7.317  -9.405  -1.498
  141   1HD   ARG  13           HD2      ARG  13   8.375  -8.603  -3.953
  142   2HD   ARG  13           HD1      ARG  13   9.622  -8.211  -2.768
  143    HE   ARG  13           HE       ARG  13   8.788 -10.770  -2.174
  144   1HH1  ARG  13          HH11      ARG  13  10.214  -9.144  -4.913
  145   2HH1  ARG  13          HH12      ARG  13  11.046 -10.554  -5.476
  146   1HH2  ARG  13          HH21      ARG  13   9.882 -12.628  -2.915
  147   2HH2  ARG  13          HH22      ARG  13  10.857 -12.531  -4.343
  148    H    ALA  14           HN       ALA  14   7.342  -6.986   0.393
  149    HA   ALA  14           HA       ALA  14   6.002  -9.053   1.770
  150   1HB   ALA  14           HB1      ALA  14   7.734  -8.973   3.211
  151   2HB   ALA  14           HB2      ALA  14   7.652  -7.220   3.378
  152   3HB   ALA  14           HB3      ALA  14   8.449  -7.936   1.977
  153    H    PHE  15           HN       PHE  15   6.220  -5.578   2.545
  154    HA   PHE  15           HA       PHE  15   4.479  -5.570   4.686
  155   1HB   PHE  15           HB2      PHE  15   4.715  -3.314   4.654
  156   2HB   PHE  15           HB1      PHE  15   5.959  -3.666   3.469
  157    HD1  PHE  15           HD1      PHE  15   2.292  -3.005   3.630
  158    HD2  PHE  15           HD2      PHE  15   5.931  -2.481   1.491
  159    HE1  PHE  15           HE1      PHE  15   1.125  -1.574   2.006
  160    HE2  PHE  15           HE2      PHE  15   4.770  -1.049  -0.136
  161    HZ   PHE  15           HZ       PHE  15   2.364  -0.595   0.122
  162    H    LEU  16           HN       LEU  16   3.736  -5.003   1.252
  163    HA   LEU  16           HA       LEU  16   0.927  -4.836   1.679
  164   1HB   LEU  16           HB2      LEU  16   1.877  -3.856  -0.304
  165   2HB   LEU  16           HB1      LEU  16   2.538  -5.400  -0.809
  166    HG   LEU  16           HG       LEU  16  -0.138  -5.970  -0.633
  167   1HD1  LEU  16          HD11      LEU  16  -0.152  -3.385  -2.089
  168   2HD1  LEU  16          HD12      LEU  16  -0.286  -3.355  -0.331
  169   3HD1  LEU  16          HD13      LEU  16  -1.468  -4.245  -1.291
  170   1HD2  LEU  16          HD21      LEU  16   1.342  -6.633  -2.438
  171   2HD2  LEU  16          HD22      LEU  16   1.398  -4.974  -3.029
  172   3HD2  LEU  16          HD23      LEU  16  -0.115  -5.879  -3.084
  173    H    GLU  17           HN       GLU  17   3.166  -7.458   1.082
  174    HA   GLU  17           HA       GLU  17   1.452  -9.468   0.250
  175   1HB   GLU  17           HB2      GLU  17   4.077  -9.332   1.515
  176   2HB   GLU  17           HB1      GLU  17   3.177 -10.760   2.002
  177   1HG   GLU  17           HG2      GLU  17   2.871 -11.380  -0.331
  178   2HG   GLU  17           HG1      GLU  17   3.745  -9.935  -0.837
  179    H    GLN  18           HN       GLN  18   2.405  -8.765   3.592
  180    HA   GLN  18           HA       GLN  18   0.479 -10.507   4.725
  181   1HB   GLN  18           HB2      GLN  18   1.023  -9.009   6.828
  182   2HB   GLN  18           HB1      GLN  18   2.190 -10.165   6.204
  183   1HG   GLN  18           HG2      GLN  18   3.653  -8.577   5.646
  184   2HG   GLN  18           HG1      GLN  18   2.406  -7.516   5.000
  185   1HE2  GLN  18          HE21      GLN  18   0.812  -7.094   7.161
  186   2HE2  GLN  18          HE22      GLN  18   1.696  -6.266   8.401
  187    H    VAL  19           HN       VAL  19   0.499  -7.063   3.950
  188    HA   VAL  19           HA       VAL  19  -1.815  -6.305   5.349
  189    HB   VAL  19           HB       VAL  19  -0.800  -5.236   2.704
  190   1HG1  VAL  19          HG11      VAL  19  -2.035  -3.137   3.683
  191   2HG1  VAL  19          HG12      VAL  19  -2.988  -4.356   4.529
  192   3HG1  VAL  19          HG13      VAL  19  -2.920  -4.356   2.766
  193   1HG2  VAL  19          HG21      VAL  19  -0.427  -3.628   5.111
  194   2HG2  VAL  19          HG22      VAL  19   0.706  -4.022   3.820
  195   3HG2  VAL  19          HG23      VAL  19   0.446  -5.159   5.142
  196    H    PHE  20           HN       PHE  20  -1.588  -6.986   1.852
  197    HA   PHE  20           HA       PHE  20  -4.350  -7.225   1.433
  198   1HB   PHE  20           HB2      PHE  20  -2.734  -6.854  -0.377
  199   2HB   PHE  20           HB1      PHE  20  -2.078  -8.468  -0.133
  200    HD1  PHE  20           HD1      PHE  20  -4.859  -6.519  -1.469
  201    HD2  PHE  20           HD2      PHE  20  -3.305 -10.431  -0.843
  202    HE1  PHE  20           HE1      PHE  20  -6.495  -7.421  -3.069
  203    HE2  PHE  20           HE2      PHE  20  -4.939 -11.340  -2.442
  204    HZ   PHE  20           HZ       PHE  20  -6.536  -9.835  -3.558
  205    H    ARG  21           HN       ARG  21  -2.166  -9.367   2.951
  206    HA   ARG  21           HA       ARG  21  -3.578 -11.798   2.348
  207   1HB   ARG  21           HB2      ARG  21  -1.068 -11.239   3.275
  208   2HB   ARG  21           HB1      ARG  21  -1.874 -11.750   4.743
  209   1HG   ARG  21           HG2      ARG  21  -1.567 -13.858   4.154
  210   2HG   ARG  21           HG1      ARG  21  -2.576 -13.597   2.731
  211   1HD   ARG  21           HD2      ARG  21  -0.788 -13.333   1.341
  212   2HD   ARG  21           HD1      ARG  21   0.237 -12.664   2.609
  213    HE   ARG  21           HE       ARG  21  -0.057 -15.231   3.376
  214   1HH1  ARG  21          HH11      ARG  21   0.888 -13.762   0.353
  215   2HH1  ARG  21          HH12      ARG  21   1.894 -15.088  -0.120
  216   1HH2  ARG  21          HH21      ARG  21   1.267 -16.974   2.755
  217   2HH2  ARG  21          HH22      ARG  21   2.110 -16.913   1.243
  218    H    ARG  22           HN       ARG  22  -3.442  -9.498   5.014
  219    HA   ARG  22           HA       ARG  22  -4.951 -10.925   6.892
  220   1HB   ARG  22           HB2      ARG  22  -4.410  -8.019   6.418
  221   2HB   ARG  22           HB1      ARG  22  -5.586  -8.492   7.634
  222   1HG   ARG  22           HG2      ARG  22  -3.997  -9.463   8.993
  223   2HG   ARG  22           HG1      ARG  22  -2.864  -9.711   7.662
  224   1HD   ARG  22           HD2      ARG  22  -2.351  -7.862   9.376
  225   2HD   ARG  22           HD1      ARG  22  -2.184  -7.486   7.662
  226    HE   ARG  22           HE       ARG  22  -3.888  -5.975   7.865
  227   1HH1  ARG  22          HH11      ARG  22  -3.921  -8.078  10.649
  228   2HH1  ARG  22          HH12      ARG  22  -5.135  -7.163  11.480
  229   1HH2  ARG  22          HH21      ARG  22  -5.482  -4.771   8.955
  230   2HH2  ARG  22          HH22      ARG  22  -6.022  -5.287  10.518
  231    H    LYS  23           HN       LYS  23  -5.928  -8.777   4.286
  232    HA   LYS  23           HA       LYS  23  -8.506  -9.997   4.092
  233   1HB   LYS  23           HB2      LYS  23  -9.854  -8.010   4.579
  234   2HB   LYS  23           HB1      LYS  23  -8.933  -8.509   5.990
  235   1HG   LYS  23           HG2      LYS  23  -7.250  -6.761   5.409
  236   2HG   LYS  23           HG1      LYS  23  -8.344  -6.216   4.144
  237   1HD   LYS  23           HD2      LYS  23  -8.325  -5.125   6.569
  238   2HD   LYS  23           HD1      LYS  23  -9.797  -5.265   5.615
  239   1HE   LYS  23           HE2      LYS  23 -10.184  -5.959   7.913
  240   2HE   LYS  23           HE1      LYS  23 -10.377  -7.319   6.806
  241   1HZ   LYS  23           HZ1      LYS  23  -7.801  -7.546   7.453
  242   2HZ   LYS  23           HZ2      LYS  23  -9.045  -8.335   8.284
  243   3HZ   LYS  23           HZ3      LYS  23  -8.406  -6.891   8.890
  244    H    GLN  24           HN       GLN  24  -9.609  -7.455   2.841
  245    HA   GLN  24           HA       GLN  24  -7.795  -7.218   0.558
  246   1HB   GLN  24           HB2      GLN  24 -10.737  -7.666   0.132
  247   2HB   GLN  24           HB1      GLN  24  -9.438  -7.750  -1.049
  248   1HG   GLN  24           HG2      GLN  24  -9.531  -9.660   1.248
  249   2HG   GLN  24           HG1      GLN  24 -10.510  -9.930  -0.193
  250   1HE2  GLN  24          HE21      GLN  24  -7.749 -10.807   1.216
  251   2HE2  GLN  24          HE22      GLN  24  -6.774 -11.151  -0.176
  252    H    SER  25           HN       SER  25 -10.866  -6.117   1.940
  253    HA   SER  25           HA       SER  25 -10.434  -3.495   0.714
  254   1HB   SER  25           HB2      SER  25 -12.624  -4.456   0.339
  255   2HB   SER  25           HB1      SER  25 -12.865  -4.669   2.072
  256    HG   SER  25           HG       SER  25 -13.391  -2.529   0.579
  257    H    LEU  26           HN       LEU  26  -8.868  -2.602   2.052
  258    HA   LEU  26           HA       LEU  26  -9.255  -2.469   4.904
  259   1HB   LEU  26           HB2      LEU  26  -7.328  -0.831   3.259
  260   2HB   LEU  26           HB1      LEU  26  -7.232  -1.188   4.970
  261    HG   LEU  26           HG       LEU  26  -6.396  -2.812   2.645
  262   1HD1  LEU  26          HD11      LEU  26  -4.463  -2.845   3.753
  263   2HD1  LEU  26          HD12      LEU  26  -5.233  -3.348   5.255
  264   3HD1  LEU  26          HD13      LEU  26  -5.177  -1.640   4.822
  265   1HD2  LEU  26          HD21      LEU  26  -6.523  -4.843   4.281
  266   2HD2  LEU  26          HD22      LEU  26  -7.910  -4.421   3.276
  267   3HD2  LEU  26          HD23      LEU  26  -7.873  -3.944   4.973
  268    H    ASN  27           HN       ASN  27 -10.084  -0.796   6.071
  269    HA   ASN  27           HA       ASN  27 -11.382   1.330   4.531
  270   1HB   ASN  27           HB2      ASN  27 -12.076   1.569   7.269
  271   2HB   ASN  27           HB1      ASN  27 -13.090   1.020   5.941
  272   1HD2  ASN  27          HD21      ASN  27 -11.374   0.149   8.756
  273   2HD2  ASN  27          HD22      ASN  27 -11.759  -1.542   8.746
  274    H    SER  28           HN       SER  28 -11.530   3.474   5.907
  275    HA   SER  28           HA       SER  28  -9.059   4.702   5.852
  276   1HB   SER  28           HB2      SER  28 -11.684   5.370   7.097
  277   2HB   SER  28           HB1      SER  28 -10.277   6.316   7.594
  278    HG   SER  28           HG       SER  28 -11.702   6.476   5.325
  279    H    LYS  29           HN       LYS  29 -10.481   2.770   8.340
  280    HA   LYS  29           HA       LYS  29  -8.688   3.616  10.427
  281   1HB   LYS  29           HB2      LYS  29 -10.804   1.522  10.128
  282   2HB   LYS  29           HB1      LYS  29  -9.684   1.430  11.478
  283   1HG   LYS  29           HG2      LYS  29 -11.929   2.588  11.850
  284   2HG   LYS  29           HG1      LYS  29 -10.475   3.397  12.431
  285   1HD   LYS  29           HD2      LYS  29 -11.829   5.048  11.379
  286   2HD   LYS  29           HD1      LYS  29 -10.479   4.721  10.293
  287   1HE   LYS  29           HE2      LYS  29 -11.862   4.099   8.665
  288   2HE   LYS  29           HE1      LYS  29 -12.679   2.950   9.730
  289   1HZ   LYS  29           HZ1      LYS  29 -13.831   5.127   8.678
  290   2HZ   LYS  29           HZ2      LYS  29 -13.352   5.727  10.184
  291   3HZ   LYS  29           HZ3      LYS  29 -14.356   4.369  10.096
  292    H    GLU  30           HN       GLU  30  -9.068   0.748   8.389
  293    HA   GLU  30           HA       GLU  30  -6.760  -0.570   9.402
  294   1HB   GLU  30           HB2      GLU  30  -8.188  -1.029   6.776
  295   2HB   GLU  30           HB1      GLU  30  -7.089  -2.142   7.580
  296   1HG   GLU  30           HG2      GLU  30  -9.234  -1.398   9.343
  297   2HG   GLU  30           HG1      GLU  30  -9.872  -2.004   7.816
  298    H    LYS  31           HN       LYS  31  -7.475   1.517   6.678
  299    HA   LYS  31           HA       LYS  31  -5.051   1.232   5.304
  300   1HB   LYS  31           HB2      LYS  31  -5.834   2.903   3.960
  301   2HB   LYS  31           HB1      LYS  31  -7.330   2.505   4.774
  302   1HG   LYS  31           HG2      LYS  31  -7.088   4.359   6.273
  303   2HG   LYS  31           HG1      LYS  31  -5.476   4.706   5.637
  304   1HD   LYS  31           HD2      LYS  31  -6.480   5.157   3.429
  305   2HD   LYS  31           HD1      LYS  31  -8.081   4.905   4.133
  306   1HE   LYS  31           HE2      LYS  31  -6.170   6.913   5.281
  307   2HE   LYS  31           HE1      LYS  31  -7.192   7.315   3.902
  308   1HZ   LYS  31           HZ1      LYS  31  -9.135   6.782   5.218
  309   2HZ   LYS  31           HZ2      LYS  31  -8.208   7.959   6.002
  310   3HZ   LYS  31           HZ3      LYS  31  -8.166   6.355   6.538
  311    H    GLU  32           HN       GLU  32  -6.006   3.202   8.042
  312    HA   GLU  32           HA       GLU  32  -3.437   4.562   8.128
  313   1HB   GLU  32           HB2      GLU  32  -4.370   5.904   9.860
  314   2HB   GLU  32           HB1      GLU  32  -5.629   5.698   8.651
  315   1HG   GLU  32           HG2      GLU  32  -6.777   4.110   9.997
  316   2HG   GLU  32           HG1      GLU  32  -5.439   4.025  11.141
  317    H    GLU  33           HN       GLU  33  -5.216   2.080   9.847
  318    HA   GLU  33           HA       GLU  33  -3.336   1.796  11.983
  319   1HB   GLU  33           HB2      GLU  33  -5.619   0.095  10.982
  320   2HB   GLU  33           HB1      GLU  33  -4.650  -0.339  12.379
  321   1HG   GLU  33           HG2      GLU  33  -5.765   2.380  12.398
  322   2HG   GLU  33           HG1      GLU  33  -6.934   1.066  12.504
  323    H    VAL  34           HN       VAL  34  -3.900   0.267   8.890
  324    HA   VAL  34           HA       VAL  34  -1.953  -1.819   9.266
  325    HB   VAL  34           HB       VAL  34  -3.407  -0.867   6.786
  326   1HG1  VAL  34          HG11      VAL  34  -2.109  -3.541   6.933
  327   2HG1  VAL  34          HG12      VAL  34  -1.103  -2.139   6.576
  328   3HG1  VAL  34          HG13      VAL  34  -2.467  -2.534   5.533
  329   1HG2  VAL  34          HG21      VAL  34  -5.000  -2.442   7.188
  330   2HG2  VAL  34          HG22      VAL  34  -4.546  -2.067   8.850
  331   3HG2  VAL  34          HG23      VAL  34  -3.894  -3.503   8.061
  332    H    ALA  35           HN       ALA  35  -2.121   1.305   7.651
  333    HA   ALA  35           HA       ALA  35   0.347   1.187   6.318
  334   1HB   ALA  35           HB1      ALA  35  -0.808   2.921   5.493
  335   2HB   ALA  35           HB2      ALA  35   0.084   3.819   6.715
  336   3HB   ALA  35           HB3      ALA  35  -1.564   3.294   7.039
  337    H    LYS  36           HN       LYS  36  -0.453   1.977   9.626
  338    HA   LYS  36           HA       LYS  36   2.182   3.049  10.167
  339   1HB   LYS  36           HB2      LYS  36   1.362   3.469  12.399
  340   2HB   LYS  36           HB1      LYS  36   0.182   4.018  11.217
  341   1HG   LYS  36           HG2      LYS  36  -1.134   1.991  11.586
  342   2HG   LYS  36           HG1      LYS  36   0.046   1.449  12.782
  343   1HD   LYS  36           HD2      LYS  36  -1.056   4.157  13.183
  344   2HD   LYS  36           HD1      LYS  36  -2.189   2.822  13.399
  345   1HE   LYS  36           HE2      LYS  36  -0.971   1.907  15.156
  346   2HE   LYS  36           HE1      LYS  36   0.507   2.755  14.699
  347   1HZ   LYS  36           HZ1      LYS  36  -1.836   4.320  15.531
  348   2HZ   LYS  36           HZ2      LYS  36  -0.192   4.688  15.675
  349   3HZ   LYS  36           HZ3      LYS  36  -0.898   3.559  16.717
  350    H    LYS  37           HN       LYS  37   0.634  -0.029  10.366
  351    HA   LYS  37           HA       LYS  37   2.750  -1.004  12.156
  352   1HB   LYS  37           HB2      LYS  37   1.369  -2.894  12.636
  353   2HB   LYS  37           HB1      LYS  37   0.370  -1.455  12.776
  354   1HG   LYS  37           HG2      LYS  37  -0.620  -1.888  10.619
  355   2HG   LYS  37           HG1      LYS  37   0.445  -3.274  10.378
  356   1HD   LYS  37           HD2      LYS  37  -1.421  -3.089  12.725
  357   2HD   LYS  37           HD1      LYS  37  -1.939  -3.746  11.172
  358   1HE   LYS  37           HE2      LYS  37  -0.226  -5.448  11.278
  359   2HE   LYS  37           HE1      LYS  37   0.417  -4.750  12.765
  360   1HZ   LYS  37           HZ1      LYS  37  -1.306  -5.557  13.997
  361   2HZ   LYS  37           HZ2      LYS  37  -1.215  -6.772  12.825
  362   3HZ   LYS  37           HZ3      LYS  37  -2.398  -5.569  12.705
  363    H    CYS  38           HN       CYS  38   1.527  -1.233   8.920
  364    HA   CYS  38           HA       CYS  38   3.243  -3.519   8.333
  365   1HB   CYS  38           HB2      CYS  38   1.239  -2.049   6.612
  366   2HB   CYS  38           HB1      CYS  38   2.170  -3.450   6.092
  367    HG   CYS  38           HG       CYS  38   0.456  -4.864   7.095
  368    H    GLY  39           HN       GLY  39   3.070  -0.070   7.846
  369   1HA   GLY  39           HA2      GLY  39   5.221   1.043   7.520
  370   2HA   GLY  39           HA1      GLY  39   5.645  -0.242   6.403
  371    H    ILE  40           HN       ILE  40   2.443   1.096   6.309
  372    HA   ILE  40           HA       ILE  40   3.156   2.446   3.792
  373    HB   ILE  40           HB       ILE  40   0.301   2.063   4.161
  374   1HG1  ILE  40          HG12      ILE  40   1.922  -0.471   3.885
  375   2HG1  ILE  40          HG11      ILE  40   1.151   0.024   5.385
  376   1HG2  ILE  40          HG21      ILE  40   2.035   2.382   2.087
  377   2HG2  ILE  40          HG22      ILE  40   0.356   1.869   1.934
  378   3HG2  ILE  40          HG23      ILE  40   1.644   0.667   1.972
  379   1HD1  ILE  40          HD11      ILE  40  -1.007  -0.204   4.460
  380   2HD1  ILE  40          HD12      ILE  40  -0.106  -1.645   3.990
  381   3HD1  ILE  40          HD13      ILE  40  -0.366  -0.348   2.824
  382    H    THR  41           HN       THR  41   0.753   3.944   3.551
  383    HA   THR  41           HA       THR  41   0.528   5.559   5.949
  384    HB   THR  41           HB       THR  41   1.056   7.315   3.689
  385    HG1  THR  41           HG1      THR  41   3.211   5.721   4.611
  386   1HG2  THR  41          HG21      THR  41   2.978   7.771   5.609
  387   2HG2  THR  41          HG22      THR  41   1.586   7.202   6.529
  388   3HG2  THR  41          HG23      THR  41   1.427   8.594   5.458
  389    HA   PRO  42           HA       PRO  42  -3.669   6.211   4.819
  390   1HB   PRO  42           HB2      PRO  42  -3.071   9.134   5.029
  391   2HB   PRO  42           HB1      PRO  42  -4.394   8.203   5.742
  392   1HG   PRO  42           HG2      PRO  42  -2.319   8.949   7.227
  393   2HG   PRO  42           HG1      PRO  42  -3.057   7.351   7.438
  394   1HD   PRO  42           HD2      PRO  42  -0.482   8.093   6.141
  395   2HD   PRO  42           HD1      PRO  42  -0.915   6.625   7.037
  396    H    LEU  43           HN       LEU  43  -1.164   8.018   3.181
  397    HA   LEU  43           HA       LEU  43  -2.884   8.683   0.936
  398   1HB   LEU  43           HB2      LEU  43  -0.846  10.028   1.987
  399   2HB   LEU  43           HB1      LEU  43   0.067   9.063   0.843
  400    HG   LEU  43           HG       LEU  43  -1.370   9.943  -0.987
  401   1HD1  LEU  43          HD11      LEU  43  -3.364  10.675  -0.202
  402   2HD1  LEU  43          HD12      LEU  43  -2.495  12.209  -0.146
  403   3HD1  LEU  43          HD13      LEU  43  -2.682  11.247   1.321
  404   1HD2  LEU  43          HD21      LEU  43   0.194  11.867   0.718
  405   2HD2  LEU  43          HD22      LEU  43  -0.437  12.288  -0.874
  406   3HD2  LEU  43          HD23      LEU  43   0.737  10.981  -0.708
  407    H    GLN  44           HN       GLN  44  -0.487   6.326   1.835
  408    HA   GLN  44           HA       GLN  44  -0.106   5.367  -0.858
  409   1HB   GLN  44           HB2      GLN  44   0.671   3.802   1.564
  410   2HB   GLN  44           HB1      GLN  44   1.477   3.906   0.007
  411   1HG   GLN  44           HG2      GLN  44   1.405   6.044   2.120
  412   2HG   GLN  44           HG1      GLN  44   2.775   5.010   1.725
  413   1HE2  GLN  44          HE21      GLN  44   1.649   8.011   1.383
  414   2HE2  GLN  44          HE22      GLN  44   2.384   8.461  -0.120
  415    H    VAL  45           HN       VAL  45  -1.427   3.969   2.120
  416    HA   VAL  45           HA       VAL  45  -2.458   1.624   1.377
  417    HB   VAL  45           HB       VAL  45  -4.386   2.047   2.891
  418   1HG1  VAL  45          HG11      VAL  45  -2.251   3.178   4.473
  419   2HG1  VAL  45          HG12      VAL  45  -1.668   1.881   3.431
  420   3HG1  VAL  45          HG13      VAL  45  -2.988   1.580   4.560
  421   1HG2  VAL  45          HG21      VAL  45  -3.288   4.836   2.737
  422   2HG2  VAL  45          HG22      VAL  45  -4.199   4.283   4.142
  423   3HG2  VAL  45          HG23      VAL  45  -4.954   4.292   2.549
  424    H    ARG  46           HN       ARG  46  -3.759   4.733   0.362
  425    HA   ARG  46           HA       ARG  46  -6.067   3.522  -0.865
  426   1HB   ARG  46           HB2      ARG  46  -6.230   5.933  -1.867
  427   2HB   ARG  46           HB1      ARG  46  -6.631   5.642  -0.186
  428   1HG   ARG  46           HG2      ARG  46  -4.935   6.894   0.560
  429   2HG   ARG  46           HG1      ARG  46  -3.824   6.313  -0.675
  430   1HD   ARG  46           HD2      ARG  46  -4.452   8.776  -0.756
  431   2HD   ARG  46           HD1      ARG  46  -4.597   7.864  -2.258
  432    HE   ARG  46           HE       ARG  46  -6.830   8.310  -2.239
  433   1HH1  ARG  46          HH11      ARG  46  -5.616   8.691   1.012
  434   2HH1  ARG  46          HH12      ARG  46  -7.127   9.253   1.643
  435   1HH2  ARG  46          HH21      ARG  46  -8.817   9.050  -1.409
  436   2HH2  ARG  46          HH22      ARG  46  -8.944   9.457   0.269
  437    H    VAL  47           HN       VAL  47  -3.281   5.383  -2.142
  438    HA   VAL  47           HA       VAL  47  -3.788   4.680  -4.846
  439    HB   VAL  47           HB       VAL  47  -1.585   5.592  -5.327
  440   1HG1  VAL  47          HG11      VAL  47  -1.911   7.824  -4.506
  441   2HG1  VAL  47          HG12      VAL  47  -2.908   7.236  -3.175
  442   3HG1  VAL  47          HG13      VAL  47  -3.492   7.112  -4.835
  443   1HG2  VAL  47          HG21      VAL  47  -0.216   4.693  -3.627
  444   2HG2  VAL  47          HG22      VAL  47  -1.215   5.383  -2.351
  445   3HG2  VAL  47          HG23      VAL  47  -0.216   6.435  -3.351
  446    H    TRP  48           HN       TRP  48  -1.585   3.433  -2.399
  447    HA   TRP  48           HA       TRP  48  -0.216   1.592  -3.991
  448   1HB   TRP  48           HB2      TRP  48  -0.167   2.447  -1.335
  449   2HB   TRP  48           HB1      TRP  48  -0.477   0.720  -1.238
  450    HD1  TRP  48           HD1      TRP  48   2.179   3.254  -2.230
  451    HE1  TRP  48           HE1      TRP  48   4.415   2.037  -2.594
  452    HE3  TRP  48           HE3      TRP  48   0.529  -1.575  -1.959
  453    HZ2  TRP  48           HZ2      TRP  48   5.358  -0.617  -2.747
  454    HZ3  TRP  48           HZ3      TRP  48   2.164  -3.394  -2.225
  455    HH2  TRP  48           HH2      TRP  48   4.527  -2.925  -2.611
  456    H    PHE  49           HN       PHE  49  -2.970   1.023  -1.755
  457    HA   PHE  49           HA       PHE  49  -3.293  -1.689  -2.463
  458   1HB   PHE  49           HB2      PHE  49  -5.315   0.274  -1.359
  459   2HB   PHE  49           HB1      PHE  49  -5.573  -1.459  -1.481
  460    HD1  PHE  49           HD1      PHE  49  -2.353  -1.637  -0.708
  461    HD2  PHE  49           HD2      PHE  49  -5.935  -0.151   1.047
  462    HE1  PHE  49           HE1      PHE  49  -1.375  -1.926   1.533
  463    HE2  PHE  49           HE2      PHE  49  -4.963  -0.434   3.285
  464    HZ   PHE  49           HZ       PHE  49  -2.683  -1.320   3.533
  465    H    ILE  50           HN       ILE  50  -4.401   1.289  -3.936
  466    HA   ILE  50           HA       ILE  50  -6.527   0.399  -5.466
  467    HB   ILE  50           HB       ILE  50  -4.549   2.585  -5.747
  468   1HG1  ILE  50          HG12      ILE  50  -6.714   2.782  -4.533
  469   2HG1  ILE  50          HG11      ILE  50  -6.545   3.946  -5.842
  470   1HG2  ILE  50          HG21      ILE  50  -5.530   3.234  -7.969
  471   2HG2  ILE  50          HG22      ILE  50  -6.180   1.599  -8.076
  472   3HG2  ILE  50          HG23      ILE  50  -4.436   1.850  -8.004
  473   1HD1  ILE  50          HD11      ILE  50  -8.473   3.260  -6.665
  474   2HD1  ILE  50          HD12      ILE  50  -8.600   2.041  -5.397
  475   3HD1  ILE  50          HD13      ILE  50  -7.790   1.654  -6.916
  476    H    ASN  51           HN       ASN  51  -3.104   0.490  -6.476
  477    HA   ASN  51           HA       ASN  51  -3.631  -1.072  -8.830
  478   1HB   ASN  51           HB2      ASN  51  -1.256   0.215  -7.591
  479   2HB   ASN  51           HB1      ASN  51  -0.955  -1.147  -8.667
  480   1HD2  ASN  51          HD21      ASN  51  -2.256   2.078  -8.415
  481   2HD2  ASN  51          HD22      ASN  51  -2.255   2.421 -10.114
  482    H    LYS  52           HN       LYS  52  -2.512  -1.671  -5.581
  483    HA   LYS  52           HA       LYS  52  -1.777  -4.421  -6.186
  484   1HB   LYS  52           HB2      LYS  52  -1.608  -2.682  -3.742
  485   2HB   LYS  52           HB1      LYS  52  -1.385  -4.422  -3.620
  486   1HG   LYS  52           HG2      LYS  52   0.250  -2.514  -5.283
  487   2HG   LYS  52           HG1      LYS  52   0.753  -3.309  -3.792
  488   1HD   LYS  52           HD2      LYS  52   0.347  -5.507  -4.987
  489   2HD   LYS  52           HD1      LYS  52   0.203  -4.563  -6.472
  490   1HE   LYS  52           HE2      LYS  52   2.481  -3.579  -5.846
  491   2HE   LYS  52           HE1      LYS  52   2.597  -4.906  -4.690
  492   1HZ   LYS  52           HZ1      LYS  52   3.623  -5.298  -6.935
  493   2HZ   LYS  52           HZ2      LYS  52   2.056  -5.344  -7.569
  494   3HZ   LYS  52           HZ3      LYS  52   2.534  -6.483  -6.415
  495    H    ARG  53           HN       ARG  53  -4.632  -3.095  -6.036
  496    HA   ARG  53           HA       ARG  53  -5.993  -5.442  -5.226
  497   1HB   ARG  53           HB2      ARG  53  -5.389  -4.425  -3.000
  498   2HB   ARG  53           HB1      ARG  53  -6.382  -3.043  -3.437
  499   1HG   ARG  53           HG2      ARG  53  -8.061  -5.167  -3.893
  500   2HG   ARG  53           HG1      ARG  53  -7.172  -5.648  -2.451
  501   1HD   ARG  53           HD2      ARG  53  -9.166  -4.449  -1.806
  502   2HD   ARG  53           HD1      ARG  53  -7.745  -3.482  -1.413
  503    HE   ARG  53           HE       ARG  53  -8.811  -2.839  -3.982
  504   1HH1  ARG  53          HH11      ARG  53  -9.220  -2.292  -0.559
  505   2HH1  ARG  53          HH12      ARG  53 -10.000  -0.761  -0.771
  506   1HH2  ARG  53          HH21      ARG  53  -9.839  -0.826  -4.261
  507   2HH2  ARG  53          HH22      ARG  53 -10.353   0.072  -2.872
  508    H    MET  54           HN       MET  54  -5.886  -3.572  -7.470
  509    HA   MET  54           HA       MET  54  -8.002  -1.796  -7.601
  510   1HB   MET  54           HB2      MET  54  -6.117  -2.718  -9.364
  511   2HB   MET  54           HB1      MET  54  -7.602  -3.346 -10.062
  512   1HG   MET  54           HG2      MET  54  -8.388  -0.841  -9.589
  513   2HG   MET  54           HG1      MET  54  -6.659  -0.564  -9.790
  514   1HE   MET  54           HE1      MET  54  -6.704   0.839 -11.427
  515   2HE   MET  54           HE2      MET  54  -8.052   0.931 -12.561
  516   3HE   MET  54           HE3      MET  54  -6.489   0.315 -13.097
  517    H    ARG  55           HN       ARG  55  -9.722  -2.720  -6.403
  518    HA   ARG  55           HA       ARG  55 -10.979  -5.153  -7.134
  519   1HB   ARG  55           HB2      ARG  55 -11.846  -2.808  -5.457
  520   2HB   ARG  55           HB1      ARG  55 -12.898  -4.188  -5.740
  521   1HG   ARG  55           HG2      ARG  55 -10.179  -4.815  -4.795
  522   2HG   ARG  55           HG1      ARG  55 -11.231  -3.981  -3.648
  523   1HD   ARG  55           HD2      ARG  55 -11.550  -6.297  -3.285
  524   2HD   ARG  55           HD1      ARG  55 -12.974  -5.729  -4.155
  525    HE   ARG  55           HE       ARG  55 -12.386  -7.060  -5.928
  526   1HH1  ARG  55          HH11      ARG  55  -9.673  -6.803  -3.747
  527   2HH1  ARG  55          HH12      ARG  55  -8.749  -8.026  -4.553
  528   1HH2  ARG  55          HH21      ARG  55 -11.172  -8.670  -6.988
  529   2HH2  ARG  55          HH22      ARG  55  -9.600  -9.086  -6.393
  530    H    SER  56           HN       SER  56 -11.603  -1.758  -7.902
  531    HA   SER  56           HA       SER  56 -13.466  -2.659 -10.001
  532   1HB   SER  56           HB2      SER  56 -14.272  -1.262  -7.829
  533   2HB   SER  56           HB1      SER  56 -13.856   0.066  -8.912
  534    HG   SER  56           HG       SER  56 -16.084  -0.867  -8.999
  535    H    LYS  57           HN       LYS  57 -13.901  -0.314 -11.301
  536    HA   LYS  57           HA       LYS  57 -11.712  -0.075 -12.997
  537   1HB   LYS  57           HB2      LYS  57 -12.837   1.968 -13.858
  538   2HB   LYS  57           HB1      LYS  57 -13.916   0.586 -13.720
  539   1HG   LYS  57           HG2      LYS  57 -13.868   2.266 -11.335
  540   2HG   LYS  57           HG1      LYS  57 -14.419   3.105 -12.786
  541   1HD   LYS  57           HD2      LYS  57 -15.525   0.401 -12.272
  542   2HD   LYS  57           HD1      LYS  57 -16.068   1.713 -11.223
  543   1HE   LYS  57           HE2      LYS  57 -16.091   1.933 -14.220
  544   2HE   LYS  57           HE1      LYS  57 -17.444   1.256 -13.316
  545   1HZ   LYS  57           HZ1      LYS  57 -16.401   3.868 -12.499
  546   2HZ   LYS  57           HZ2      LYS  57 -17.981   3.270 -12.433
  547   3HZ   LYS  57           HZ3      LYS  57 -17.336   3.792 -13.907
  Start of MODEL    4
    1   1H    LYS  -3           HT1      LYS  -3  10.889   6.177  10.419
    2   2H    LYS  -3           HT2      LYS  -3  11.027   5.821  12.092
    3   3H    LYS  -3           HT3      LYS  -3   9.896   6.993  11.553
    4    HA   LYS  -3           HA       LYS  -3   9.823   4.157  10.790
    5   1HB   LYS  -3           HB2      LYS  -3   9.432   5.161  13.319
    6   2HB   LYS  -3           HB1      LYS  -3   7.804   5.194  12.655
    7   1HG   LYS  -3           HG2      LYS  -3   7.628   3.055  13.197
    8   2HG   LYS  -3           HG1      LYS  -3   8.813   2.701  11.938
    9   1HD   LYS  -3           HD2      LYS  -3  10.618   2.843  13.514
   10   2HD   LYS  -3           HD1      LYS  -3   9.529   3.418  14.778
   11   1HE   LYS  -3           HE2      LYS  -3   8.362   1.291  14.774
   12   2HE   LYS  -3           HE1      LYS  -3   9.371   0.714  13.448
   13   1HZ   LYS  -3           HZ1      LYS  -3  10.087  -0.104  15.638
   14   2HZ   LYS  -3           HZ2      LYS  -3  10.392   1.486  16.129
   15   3HZ   LYS  -3           HZ3      LYS  -3  11.288   0.803  14.867
   16    H    LYS  -2           HN       LYS  -2   7.621   6.858  11.550
   17    HA   LYS  -2           HA       LYS  -2   6.100   6.217   9.131
   18   1HB   LYS  -2           HB2      LYS  -2   5.256   6.724  11.678
   19   2HB   LYS  -2           HB1      LYS  -2   5.066   8.305  10.932
   20   1HG   LYS  -2           HG2      LYS  -2   4.019   6.391   9.133
   21   2HG   LYS  -2           HG1      LYS  -2   3.386   6.018  10.738
   22   1HD   LYS  -2           HD2      LYS  -2   3.242   8.817  10.454
   23   2HD   LYS  -2           HD1      LYS  -2   2.648   8.131   8.941
   24   1HE   LYS  -2           HE2      LYS  -2   0.727   8.221  10.224
   25   2HE   LYS  -2           HE1      LYS  -2   1.273   6.565  10.486
   26   1HZ   LYS  -2           HZ1      LYS  -2   0.622   8.198  12.462
   27   2HZ   LYS  -2           HZ2      LYS  -2   2.268   8.570  12.348
   28   3HZ   LYS  -2           HZ3      LYS  -2   1.780   6.976  12.632
   29    H    GLU  -1           HN       GLU  -1   8.609   7.539   8.850
   30    HA   GLU  -1           HA       GLU  -1   7.832   9.688   7.172
   31   1HB   GLU  -1           HB2      GLU  -1   7.955  10.500   9.752
   32   2HB   GLU  -1           HB1      GLU  -1   9.625  10.762   9.265
   33   1HG   GLU  -1           HG2      GLU  -1   9.107  12.517   7.981
   34   2HG   GLU  -1           HG1      GLU  -1   7.640  11.762   7.362
   35    H    LYS   0           HN       LYS   0  10.148  11.108   6.934
   36    HA   LYS   0           HA       LYS   0  12.210  11.057   5.978
   37   1HB   LYS   0           HB2      LYS   0  12.868  10.127   8.172
   38   2HB   LYS   0           HB1      LYS   0  12.546   8.507   7.569
   39   1HG   LYS   0           HG2      LYS   0  14.474   8.408   6.417
   40   2HG   LYS   0           HG1      LYS   0  14.407  10.108   5.949
   41   1HD   LYS   0           HD2      LYS   0  14.845   9.613   8.816
   42   2HD   LYS   0           HD1      LYS   0  16.151   9.081   7.755
   43   1HE   LYS   0           HE2      LYS   0  14.939  11.843   7.763
   44   2HE   LYS   0           HE1      LYS   0  16.445  11.398   8.563
   45   1HZ   LYS   0           HZ1      LYS   0  15.866  11.591   5.683
   46   2HZ   LYS   0           HZ2      LYS   0  17.110  10.582   6.225
   47   3HZ   LYS   0           HZ3      LYS   0  17.162  12.239   6.558
   48    H    SER   1           HN       SER   1  11.792  10.780   3.848
   49    HA   SER   1           HA       SER   1  11.864   8.015   2.839
   50   1HB   SER   1           HB2      SER   1  10.248  10.253   1.604
   51   2HB   SER   1           HB1      SER   1  10.252   8.555   1.131
   52    HG   SER   1           HG       SER   1   8.635   8.428   2.469
   53    HA   PRO   2           HA       PRO   2  15.365  10.263   0.904
   54   1HB   PRO   2           HB2      PRO   2  16.895   8.046   0.550
   55   2HB   PRO   2           HB1      PRO   2  16.840   8.943   2.071
   56   1HG   PRO   2           HG2      PRO   2  15.404   6.432   1.300
   57   2HG   PRO   2           HG1      PRO   2  16.224   6.829   2.821
   58   1HD   PRO   2           HD2      PRO   2  13.538   6.979   2.541
   59   2HD   PRO   2           HD1      PRO   2  14.446   8.075   3.602
   60    H    LYS   3           HN       LYS   3  15.961  10.420  -1.239
   61    HA   LYS   3           HA       LYS   3  15.815  10.192  -3.496
   62   1HB   LYS   3           HB2      LYS   3  15.069   7.319  -2.931
   63   2HB   LYS   3           HB1      LYS   3  15.692   7.967  -4.442
   64   1HG   LYS   3           HG2      LYS   3  17.825   7.977  -3.717
   65   2HG   LYS   3           HG1      LYS   3  17.377   8.402  -2.064
   66   1HD   LYS   3           HD2      LYS   3  17.733   6.280  -1.495
   67   2HD   LYS   3           HD1      LYS   3  16.340   5.836  -2.484
   68   1HE   LYS   3           HE2      LYS   3  17.999   5.855  -4.451
   69   2HE   LYS   3           HE1      LYS   3  19.251   5.819  -3.210
   70   1HZ   LYS   3           HZ1      LYS   3  18.261   3.625  -4.226
   71   2HZ   LYS   3           HZ2      LYS   3  17.091   3.855  -3.026
   72   3HZ   LYS   3           HZ3      LYS   3  18.722   3.710  -2.602
   73    H    GLY   4           HN       GLY   4  14.264  10.948  -4.777
   74   1HA   GLY   4           HA2      GLY   4  11.545  10.954  -3.966
   75   2HA   GLY   4           HA1      GLY   4  12.163  11.534  -5.504
   76    H    LYS   5           HN       LYS   5  12.562   9.927  -7.190
   77    HA   LYS   5           HA       LYS   5  10.412   7.999  -7.261
   78   1HB   LYS   5           HB2      LYS   5  11.889   9.489  -9.173
   79   2HB   LYS   5           HB1      LYS   5  12.130   7.787  -9.541
   80   1HG   LYS   5           HG2      LYS   5   9.356   8.606  -8.975
   81   2HG   LYS   5           HG1      LYS   5  10.071   9.234 -10.461
   82   1HD   LYS   5           HD2      LYS   5   9.264   7.265 -11.270
   83   2HD   LYS   5           HD1      LYS   5  10.833   6.696 -10.699
   84   1HE   LYS   5           HE2      LYS   5   9.031   5.202  -9.995
   85   2HE   LYS   5           HE1      LYS   5   9.820   5.956  -8.611
   86   1HZ   LYS   5           HZ1      LYS   5   8.000   7.242  -8.156
   87   2HZ   LYS   5           HZ2      LYS   5   7.240   5.857  -8.760
   88   3HZ   LYS   5           HZ3      LYS   5   7.425   7.217  -9.747
   89    H    SER   6           HN       SER   6  11.148   6.544  -5.629
   90    HA   SER   6           HA       SER   6  12.925   4.510  -6.694
   91   1HB   SER   6           HB2      SER   6  14.360   6.118  -5.368
   92   2HB   SER   6           HB1      SER   6  13.448   5.637  -3.938
   93    HG   SER   6           HG       SER   6  14.589   3.882  -3.851
   94    H    SER   7           HN       SER   7  12.312   2.498  -6.118
   95    HA   SER   7           HA       SER   7   9.846   2.180  -4.701
   96   1HB   SER   7           HB2      SER   7  10.849   0.778  -6.686
   97   2HB   SER   7           HB1      SER   7  11.616  -0.137  -5.390
   98    HG   SER   7           HG       SER   7   8.834   0.397  -5.505
   99    H    ILE   8           HN       ILE   8   9.474   1.176  -2.735
  100    HA   ILE   8           HA       ILE   8  11.417   1.582  -0.723
  101    HB   ILE   8           HB       ILE   8   8.810   1.475  -0.555
  102   1HG1  ILE   8          HG12      ILE   8  10.328   0.177   1.697
  103   2HG1  ILE   8          HG11      ILE   8  10.573   1.869   1.273
  104   1HG2  ILE   8          HG21      ILE   8   9.103  -1.098  -1.235
  105   2HG2  ILE   8          HG22      ILE   8   7.766  -0.507  -0.249
  106   3HG2  ILE   8          HG23      ILE   8   9.166  -1.252   0.521
  107   1HD1  ILE   8          HD11      ILE   8   8.985   2.125   2.863
  108   2HD1  ILE   8          HD12      ILE   8   8.267   0.543   2.561
  109   3HD1  ILE   8          HD13      ILE   8   7.926   1.889   1.473
  110    H    SER   9           HN       SER   9  11.997  -0.215   0.861
  111    HA   SER   9           HA       SER   9  13.690  -2.067  -0.323
  112   1HB   SER   9           HB2      SER   9  12.724  -3.037   2.230
  113   2HB   SER   9           HB1      SER   9  14.306  -2.375   1.821
  114    HG   SER   9           HG       SER   9  12.454  -1.258   3.295
  115    HA   PRO  10           HA       PRO  10  11.507  -5.809  -1.354
  116   1HB   PRO  10           HB2      PRO  10  11.749  -7.545   0.825
  117   2HB   PRO  10           HB1      PRO  10  12.878  -7.427  -0.530
  118   1HG   PRO  10           HG2      PRO  10  13.031  -6.189   2.180
  119   2HG   PRO  10           HG1      PRO  10  14.329  -6.874   1.184
  120   1HD   PRO  10           HD2      PRO  10  14.024  -4.239   1.398
  121   2HD   PRO  10           HD1      PRO  10  14.462  -4.967  -0.161
  122    H    GLN  11           HN       GLN  11  10.935  -4.423   1.776
  123    HA   GLN  11           HA       GLN  11   8.629  -5.637   2.639
  124   1HB   GLN  11           HB2      GLN  11   9.409  -2.721   2.742
  125   2HB   GLN  11           HB1      GLN  11   8.063  -3.404   3.645
  126   1HG   GLN  11           HG2      GLN  11   9.579  -4.838   4.872
  127   2HG   GLN  11           HG1      GLN  11  10.941  -4.241   3.925
  128   1HE2  GLN  11          HE21      GLN  11  10.288  -1.539   3.851
  129   2HE2  GLN  11          HE22      GLN  11  10.438  -0.885   5.447
  130    H    ALA  12           HN       ALA  12   9.059  -3.510  -0.096
  131    HA   ALA  12           HA       ALA  12   6.583  -2.458  -0.533
  132   1HB   ALA  12           HB1      ALA  12   8.850  -2.908  -2.084
  133   2HB   ALA  12           HB2      ALA  12   7.428  -1.966  -2.535
  134   3HB   ALA  12           HB3      ALA  12   7.536  -3.669  -2.979
  135    H    ARG  13           HN       ARG  13   7.634  -5.688  -1.580
  136    HA   ARG  13           HA       ARG  13   4.929  -6.507  -2.168
  137   1HB   ARG  13           HB2      ARG  13   5.882  -8.555  -2.936
  138   2HB   ARG  13           HB1      ARG  13   6.944  -7.263  -3.478
  139   1HG   ARG  13           HG2      ARG  13   8.163  -7.843  -1.186
  140   2HG   ARG  13           HG1      ARG  13   7.420  -9.412  -1.497
  141   1HD   ARG  13           HD2      ARG  13   8.463  -8.704  -3.949
  142   2HD   ARG  13           HD1      ARG  13   9.669  -8.103  -2.811
  143    HE   ARG  13           HE       ARG  13  10.262 -10.263  -2.372
  144   1HH1  ARG  13          HH11      ARG  13   7.108 -10.265  -3.863
  145   2HH1  ARG  13          HH12      ARG  13   7.038 -11.989  -4.004
  146   1HH2  ARG  13          HH21      ARG  13  10.173 -12.532  -2.559
  147   2HH2  ARG  13          HH22      ARG  13   8.778 -13.277  -3.264
  148    H    ALA  14           HN       ALA  14   7.332  -7.025   0.354
  149    HA   ALA  14           HA       ALA  14   6.003  -9.107   1.720
  150   1HB   ALA  14           HB1      ALA  14   8.438  -7.990   1.934
  151   2HB   ALA  14           HB2      ALA  14   7.716  -9.006   3.183
  152   3HB   ALA  14           HB3      ALA  14   7.638  -7.250   3.321
  153    H    PHE  15           HN       PHE  15   6.202  -5.638   2.536
  154    HA   PHE  15           HA       PHE  15   4.423  -5.685   4.656
  155   1HB   PHE  15           HB2      PHE  15   4.646  -3.422   4.698
  156   2HB   PHE  15           HB1      PHE  15   5.958  -3.761   3.585
  157    HD1  PHE  15           HD1      PHE  15   2.306  -2.998   3.564
  158    HD2  PHE  15           HD2      PHE  15   6.063  -2.564   1.616
  159    HE1  PHE  15           HE1      PHE  15   1.272  -1.491   1.916
  160    HE2  PHE  15           HE2      PHE  15   5.035  -1.061  -0.036
  161    HZ   PHE  15           HZ       PHE  15   2.639  -0.523   0.112
  162    H    LEU  16           HN       LEU  16   3.750  -4.966   1.235
  163    HA   LEU  16           HA       LEU  16   0.949  -4.754   1.587
  164   1HB   LEU  16           HB2      LEU  16   1.965  -3.829  -0.384
  165   2HB   LEU  16           HB1      LEU  16   2.610  -5.393  -0.848
  166    HG   LEU  16           HG       LEU  16  -0.060  -5.935  -0.765
  167   1HD1  LEU  16          HD11      LEU  16  -1.368  -4.195  -1.486
  168   2HD1  LEU  16          HD12      LEU  16   0.003  -3.288  -2.122
  169   3HD1  LEU  16          HD13      LEU  16  -0.271  -3.364  -0.383
  170   1HD2  LEU  16          HD21      LEU  16   1.429  -4.843  -3.147
  171   2HD2  LEU  16          HD22      LEU  16   0.022  -5.905  -3.173
  172   3HD2  LEU  16          HD23      LEU  16   1.560  -6.494  -2.543
  173    H    GLU  17           HN       GLU  17   3.122  -7.438   0.974
  174    HA   GLU  17           HA       GLU  17   1.355  -9.408   0.179
  175   1HB   GLU  17           HB2      GLU  17   3.986  -9.339   1.468
  176   2HB   GLU  17           HB1      GLU  17   3.046 -10.765   1.892
  177   1HG   GLU  17           HG2      GLU  17   3.447  -9.896  -0.951
  178   2HG   GLU  17           HG1      GLU  17   4.587 -10.946  -0.110
  179    H    GLN  18           HN       GLN  18   2.441  -8.916   3.535
  180    HA   GLN  18           HA       GLN  18   0.454 -10.545   4.671
  181   1HB   GLN  18           HB2      GLN  18   1.056  -9.199   6.798
  182   2HB   GLN  18           HB1      GLN  18   2.291 -10.201   6.052
  183   1HG   GLN  18           HG2      GLN  18   3.627  -8.459   5.809
  184   2HG   GLN  18           HG1      GLN  18   2.388  -7.586   4.911
  185   1HE2  GLN  18          HE21      GLN  18   0.460  -7.370   6.910
  186   2HE2  GLN  18          HE22      GLN  18   1.056  -6.312   8.147
  187    H    VAL  19           HN       VAL  19   0.515  -7.112   3.880
  188    HA   VAL  19           HA       VAL  19  -1.743  -6.291   5.330
  189    HB   VAL  19           HB       VAL  19  -0.707  -5.273   2.673
  190   1HG1  VAL  19          HG11      VAL  19  -2.982  -4.388   4.370
  191   2HG1  VAL  19          HG12      VAL  19  -2.795  -4.350   2.616
  192   3HG1  VAL  19          HG13      VAL  19  -1.977  -3.150   3.616
  193   1HG2  VAL  19          HG21      VAL  19  -0.412  -3.606   5.049
  194   2HG2  VAL  19          HG22      VAL  19   0.761  -4.029   3.806
  195   3HG2  VAL  19          HG23      VAL  19   0.462  -5.134   5.147
  196    H    PHE  20           HN       PHE  20  -1.628  -6.990   1.829
  197    HA   PHE  20           HA       PHE  20  -4.408  -7.191   1.508
  198   1HB   PHE  20           HB2      PHE  20  -2.851  -6.827  -0.357
  199   2HB   PHE  20           HB1      PHE  20  -2.211  -8.452  -0.146
  200    HD1  PHE  20           HD1      PHE  20  -5.253  -6.547  -1.045
  201    HD2  PHE  20           HD2      PHE  20  -3.250 -10.300  -1.141
  202    HE1  PHE  20           HE1      PHE  20  -6.964  -7.417  -2.585
  203    HE2  PHE  20           HE2      PHE  20  -4.958 -11.177  -2.682
  204    HZ   PHE  20           HZ       PHE  20  -6.818  -9.733  -3.405
  205    H    ARG  21           HN       ARG  21  -2.206  -9.362   2.958
  206    HA   ARG  21           HA       ARG  21  -3.705 -11.763   2.392
  207   1HB   ARG  21           HB2      ARG  21  -1.118 -11.271   3.171
  208   2HB   ARG  21           HB1      ARG  21  -1.849 -11.840   4.659
  209   1HG   ARG  21           HG2      ARG  21  -1.699 -13.930   3.959
  210   2HG   ARG  21           HG1      ARG  21  -2.674 -13.546   2.538
  211   1HD   ARG  21           HD2      ARG  21  -0.868 -13.338   1.185
  212   2HD   ARG  21           HD1      ARG  21   0.154 -12.693   2.469
  213    HE   ARG  21           HE       ARG  21  -0.497 -15.474   2.798
  214   1HH1  ARG  21          HH11      ARG  21   1.700 -13.207   1.312
  215   2HH1  ARG  21          HH12      ARG  21   2.992 -14.351   1.183
  216   1HH2  ARG  21          HH21      ARG  21   1.204 -16.981   2.633
  217   2HH2  ARG  21          HH22      ARG  21   2.712 -16.494   1.933
  218    H    ARG  22           HN       ARG  22  -3.388  -9.460   5.030
  219    HA   ARG  22           HA       ARG  22  -4.722 -10.882   7.032
  220   1HB   ARG  22           HB2      ARG  22  -4.394  -7.947   6.469
  221   2HB   ARG  22           HB1      ARG  22  -5.327  -8.508   7.847
  222   1HG   ARG  22           HG2      ARG  22  -3.324  -9.762   8.619
  223   2HG   ARG  22           HG1      ARG  22  -2.412  -9.010   7.309
  224   1HD   ARG  22           HD2      ARG  22  -1.964  -7.642   9.137
  225   2HD   ARG  22           HD1      ARG  22  -3.248  -6.786   8.284
  226    HE   ARG  22           HE       ARG  22  -4.333  -8.507  10.252
  227   1HH1  ARG  22          HH11      ARG  22  -2.657  -5.470   9.888
  228   2HH1  ARG  22          HH12      ARG  22  -3.309  -4.793  11.343
  229   1HH2  ARG  22          HH21      ARG  22  -5.192  -7.620  12.165
  230   2HH2  ARG  22          HH22      ARG  22  -4.748  -6.014  12.637
  231    H    LYS  23           HN       LYS  23  -5.928  -8.886   4.411
  232    HA   LYS  23           HA       LYS  23  -8.471 -10.174   4.471
  233   1HB   LYS  23           HB2      LYS  23  -9.858  -8.242   4.949
  234   2HB   LYS  23           HB1      LYS  23  -8.807  -8.588   6.313
  235   1HG   LYS  23           HG2      LYS  23  -7.386  -6.756   5.781
  236   2HG   LYS  23           HG1      LYS  23  -8.205  -6.490   4.244
  237   1HD   LYS  23           HD2      LYS  23  -9.146  -5.890   7.024
  238   2HD   LYS  23           HD1      LYS  23  -9.100  -4.842   5.609
  239   1HE   LYS  23           HE2      LYS  23 -10.903  -6.198   4.593
  240   2HE   LYS  23           HE1      LYS  23 -10.987  -7.143   6.080
  241   1HZ   LYS  23           HZ1      LYS  23 -11.723  -5.272   7.284
  242   2HZ   LYS  23           HZ2      LYS  23 -12.647  -5.295   5.867
  243   3HZ   LYS  23           HZ3      LYS  23 -11.363  -4.204   6.022
  244    H    GLN  24           HN       GLN  24  -9.563  -7.492   3.228
  245    HA   GLN  24           HA       GLN  24  -7.993  -7.458   0.779
  246   1HB   GLN  24           HB2      GLN  24 -10.936  -7.898   0.479
  247   2HB   GLN  24           HB1      GLN  24  -9.645  -8.204  -0.671
  248   1HG   GLN  24           HG2      GLN  24  -9.944  -9.802   1.849
  249   2HG   GLN  24           HG1      GLN  24 -10.800 -10.213   0.365
  250   1HE2  GLN  24          HE21      GLN  24  -8.875 -11.815   1.727
  251   2HE2  GLN  24          HE22      GLN  24  -7.543 -12.052   0.643
  252    H    SER  25           HN       SER  25 -10.934  -6.307   2.386
  253    HA   SER  25           HA       SER  25 -10.697  -3.781   0.925
  254   1HB   SER  25           HB2      SER  25 -12.886  -5.097   1.064
  255   2HB   SER  25           HB1      SER  25 -12.971  -4.556   2.741
  256    HG   SER  25           HG       SER  25 -12.739  -2.845   0.487
  257    H    LEU  26           HN       LEU  26  -8.887  -2.982   2.141
  258    HA   LEU  26           HA       LEU  26  -9.128  -2.530   4.967
  259   1HB   LEU  26           HB2      LEU  26  -7.237  -1.094   3.111
  260   2HB   LEU  26           HB1      LEU  26  -7.047  -1.387   4.827
  261    HG   LEU  26           HG       LEU  26  -6.590  -3.246   2.531
  262   1HD1  LEU  26          HD11      LEU  26  -4.850  -3.592   4.754
  263   2HD1  LEU  26          HD12      LEU  26  -5.003  -1.866   4.428
  264   3HD1  LEU  26          HD13      LEU  26  -4.481  -2.961   3.149
  265   1HD2  LEU  26          HD21      LEU  26  -8.096  -4.542   3.842
  266   2HD2  LEU  26          HD22      LEU  26  -7.297  -4.063   5.340
  267   3HD2  LEU  26          HD23      LEU  26  -6.464  -5.112   4.193
  268    H    ASN  27           HN       ASN  27 -10.183  -0.907   5.937
  269    HA   ASN  27           HA       ASN  27 -11.231   1.250   4.263
  270   1HB   ASN  27           HB2      ASN  27 -12.248   1.595   6.853
  271   2HB   ASN  27           HB1      ASN  27 -13.088   0.918   5.465
  272   1HD2  ASN  27          HD21      ASN  27 -11.353   0.219   8.394
  273   2HD2  ASN  27          HD22      ASN  27 -11.840  -1.439   8.525
  274    H    SER  28           HN       SER  28 -11.501   3.403   5.605
  275    HA   SER  28           HA       SER  28  -9.093   4.680   5.738
  276   1HB   SER  28           HB2      SER  28 -11.259   5.848   5.769
  277   2HB   SER  28           HB1      SER  28 -11.525   5.310   7.430
  278    HG   SER  28           HG       SER  28 -10.075   7.404   6.512
  279    H    LYS  29           HN       LYS  29 -10.567   2.696   8.191
  280    HA   LYS  29           HA       LYS  29  -8.785   3.500  10.293
  281   1HB   LYS  29           HB2      LYS  29 -10.749   1.234   9.991
  282   2HB   LYS  29           HB1      LYS  29  -9.780   1.467  11.436
  283   1HG   LYS  29           HG2      LYS  29 -11.900   3.282  10.328
  284   2HG   LYS  29           HG1      LYS  29 -11.911   2.408  11.861
  285   1HD   LYS  29           HD2      LYS  29 -11.168   4.321  12.758
  286   2HD   LYS  29           HD1      LYS  29  -9.613   3.895  12.037
  287   1HE   LYS  29           HE2      LYS  29  -9.931   5.314  10.216
  288   2HE   LYS  29           HE1      LYS  29 -11.677   5.398  10.468
  289   1HZ   LYS  29           HZ1      LYS  29 -11.465   7.019  11.997
  290   2HZ   LYS  29           HZ2      LYS  29 -10.000   7.317  11.204
  291   3HZ   LYS  29           HZ3      LYS  29 -10.020   6.409  12.632
  292    H    GLU  30           HN       GLU  30  -9.132   0.654   8.217
  293    HA   GLU  30           HA       GLU  30  -6.835  -0.674   9.226
  294   1HB   GLU  30           HB2      GLU  30  -8.307  -1.045   6.610
  295   2HB   GLU  30           HB1      GLU  30  -7.091  -2.140   7.254
  296   1HG   GLU  30           HG2      GLU  30  -8.957  -1.845   9.302
  297   2HG   GLU  30           HG1      GLU  30  -9.912  -1.965   7.825
  298    H    LYS  31           HN       LYS  31  -7.493   1.429   6.482
  299    HA   LYS  31           HA       LYS  31  -5.032   1.189   5.188
  300   1HB   LYS  31           HB2      LYS  31  -5.767   2.897   3.858
  301   2HB   LYS  31           HB1      LYS  31  -7.288   2.435   4.591
  302   1HG   LYS  31           HG2      LYS  31  -7.132   4.242   6.174
  303   2HG   LYS  31           HG1      LYS  31  -5.530   4.670   5.560
  304   1HD   LYS  31           HD2      LYS  31  -6.437   5.301   3.444
  305   2HD   LYS  31           HD1      LYS  31  -8.030   4.680   3.880
  306   1HE   LYS  31           HE2      LYS  31  -8.562   6.519   5.064
  307   2HE   LYS  31           HE1      LYS  31  -6.935   6.685   5.725
  308   1HZ   LYS  31           HZ1      LYS  31  -7.770   8.470   4.125
  309   2HZ   LYS  31           HZ2      LYS  31  -7.503   7.334   2.902
  310   3HZ   LYS  31           HZ3      LYS  31  -6.216   7.852   3.868
  311    H    GLU  32           HN       GLU  32  -6.037   3.102   7.948
  312    HA   GLU  32           HA       GLU  32  -3.467   4.463   8.076
  313   1HB   GLU  32           HB2      GLU  32  -4.420   5.807   9.790
  314   2HB   GLU  32           HB1      GLU  32  -5.674   5.598   8.575
  315   1HG   GLU  32           HG2      GLU  32  -6.832   4.023   9.920
  316   2HG   GLU  32           HG1      GLU  32  -5.495   3.925  11.066
  317    H    GLU  33           HN       GLU  33  -5.295   1.993   9.767
  318    HA   GLU  33           HA       GLU  33  -3.454   1.670  11.926
  319   1HB   GLU  33           HB2      GLU  33  -5.698  -0.034  10.847
  320   2HB   GLU  33           HB1      GLU  33  -4.772  -0.464  12.272
  321   1HG   GLU  33           HG2      GLU  33  -5.937   2.241  12.245
  322   2HG   GLU  33           HG1      GLU  33  -7.072   0.898  12.348
  323    H    VAL  34           HN       VAL  34  -3.934   0.229   8.790
  324    HA   VAL  34           HA       VAL  34  -1.998  -1.875   9.157
  325    HB   VAL  34           HB       VAL  34  -3.448  -0.884   6.690
  326   1HG1  VAL  34          HG11      VAL  34  -2.069  -3.530   6.857
  327   2HG1  VAL  34          HG12      VAL  34  -1.179  -2.091   6.364
  328   3HG1  VAL  34          HG13      VAL  34  -2.580  -2.620   5.438
  329   1HG2  VAL  34          HG21      VAL  34  -3.901  -3.484   8.109
  330   2HG2  VAL  34          HG22      VAL  34  -4.965  -2.622   6.998
  331   3HG2  VAL  34          HG23      VAL  34  -4.708  -2.004   8.630
  332    H    ALA  35           HN       ALA  35  -2.143   1.292   7.616
  333    HA   ALA  35           HA       ALA  35   0.345   1.166   6.297
  334   1HB   ALA  35           HB1      ALA  35   0.072   3.801   6.688
  335   2HB   ALA  35           HB2      ALA  35  -1.583   3.274   6.978
  336   3HB   ALA  35           HB3      ALA  35  -0.792   2.901   5.448
  337    H    LYS  36           HN       LYS  36  -0.525   1.975   9.585
  338    HA   LYS  36           HA       LYS  36   2.105   3.033  10.181
  339   1HB   LYS  36           HB2      LYS  36   1.237   3.483  12.385
  340   2HB   LYS  36           HB1      LYS  36   0.068   4.008  11.181
  341   1HG   LYS  36           HG2      LYS  36  -1.235   1.976  11.557
  342   2HG   LYS  36           HG1      LYS  36  -0.063   1.453  12.767
  343   1HD   LYS  36           HD2      LYS  36  -1.877   2.424  13.951
  344   2HD   LYS  36           HD1      LYS  36  -0.555   3.592  14.006
  345   1HE   LYS  36           HE2      LYS  36  -1.610   4.719  12.021
  346   2HE   LYS  36           HE1      LYS  36  -2.998   3.655  12.246
  347   1HZ   LYS  36           HZ1      LYS  36  -3.675   4.776  14.062
  348   2HZ   LYS  36           HZ2      LYS  36  -2.800   6.048  13.370
  349   3HZ   LYS  36           HZ3      LYS  36  -2.105   5.115  14.597
  350    H    LYS  37           HN       LYS  37   0.549  -0.034  10.314
  351    HA   LYS  37           HA       LYS  37   2.564  -1.027  12.202
  352   1HB   LYS  37           HB2      LYS  37   1.154  -2.845  12.679
  353   2HB   LYS  37           HB1      LYS  37   0.084  -1.458  12.575
  354   1HG   LYS  37           HG2      LYS  37  -1.102  -2.397  10.955
  355   2HG   LYS  37           HG1      LYS  37   0.340  -2.748  10.006
  356   1HD   LYS  37           HD2      LYS  37  -0.822  -4.421  12.231
  357   2HD   LYS  37           HD1      LYS  37  -0.799  -4.813  10.510
  358   1HE   LYS  37           HE2      LYS  37   1.867  -4.258  11.358
  359   2HE   LYS  37           HE1      LYS  37   1.147  -5.407  12.484
  360   1HZ   LYS  37           HZ1      LYS  37   1.662  -6.942  10.981
  361   2HZ   LYS  37           HZ2      LYS  37   1.989  -5.797   9.779
  362   3HZ   LYS  37           HZ3      LYS  37   0.403  -6.330  10.030
  363    H    CYS  38           HN       CYS  38   1.575  -1.187   8.891
  364    HA   CYS  38           HA       CYS  38   3.349  -3.454   8.375
  365   1HB   CYS  38           HB2      CYS  38   1.514  -1.995   6.466
  366   2HB   CYS  38           HB1      CYS  38   2.365  -3.504   6.152
  367    HG   CYS  38           HG       CYS  38   0.768  -4.319   8.324
  368    H    GLY  39           HN       GLY  39   3.075  -0.010   7.858
  369   1HA   GLY  39           HA2      GLY  39   5.222   1.170   7.675
  370   2HA   GLY  39           HA1      GLY  39   5.738  -0.090   6.567
  371    H    ILE  40           HN       ILE  40   2.501   1.119   6.315
  372    HA   ILE  40           HA       ILE  40   3.278   2.505   3.840
  373    HB   ILE  40           HB       ILE  40   0.416   2.088   4.130
  374   1HG1  ILE  40          HG12      ILE  40   2.072  -0.426   3.870
  375   2HG1  ILE  40          HG11      ILE  40   1.276   0.051   5.362
  376   1HG2  ILE  40          HG21      ILE  40   0.523   1.810   1.895
  377   2HG2  ILE  40          HG22      ILE  40   1.931   0.753   1.983
  378   3HG2  ILE  40          HG23      ILE  40   2.132   2.501   2.100
  379   1HD1  ILE  40          HD11      ILE  40   0.100  -1.619   3.808
  380   2HD1  ILE  40          HD12      ILE  40  -0.277  -0.203   2.825
  381   3HD1  ILE  40          HD13      ILE  40  -0.841  -0.295   4.494
  382    H    THR  41           HN       THR  41   0.883   3.986   3.516
  383    HA   THR  41           HA       THR  41   0.587   5.601   5.911
  384    HB   THR  41           HB       THR  41   1.099   7.357   3.652
  385    HG1  THR  41           HG1      THR  41   3.270   5.777   4.558
  386   1HG2  THR  41          HG21      THR  41   3.026   7.821   5.571
  387   2HG2  THR  41          HG22      THR  41   1.632   7.248   6.488
  388   3HG2  THR  41          HG23      THR  41   1.471   8.640   5.417
  389    HA   PRO  42           HA       PRO  42  -3.597   6.224   4.712
  390   1HB   PRO  42           HB2      PRO  42  -3.050   9.155   4.889
  391   2HB   PRO  42           HB1      PRO  42  -4.350   8.208   5.620
  392   1HG   PRO  42           HG2      PRO  42  -2.284   9.033   7.082
  393   2HG   PRO  42           HG1      PRO  42  -2.998   7.429   7.336
  394   1HD   PRO  42           HD2      PRO  42  -0.439   8.178   6.011
  395   2HD   PRO  42           HD1      PRO  42  -0.842   6.728   6.952
  396    H    LEU  43           HN       LEU  43  -1.109   8.132   3.148
  397    HA   LEU  43           HA       LEU  43  -2.757   8.745   0.852
  398   1HB   LEU  43           HB2      LEU  43  -1.049  10.326   1.711
  399   2HB   LEU  43           HB1      LEU  43   0.200   9.174   1.283
  400    HG   LEU  43           HG       LEU  43  -0.271   9.429  -1.063
  401   1HD1  LEU  43          HD11      LEU  43  -2.395   9.808  -1.626
  402   2HD1  LEU  43          HD12      LEU  43  -2.040  11.512  -1.346
  403   3HD1  LEU  43          HD13      LEU  43  -2.771  10.542  -0.068
  404   1HD2  LEU  43          HD21      LEU  43   0.135  11.884   0.574
  405   2HD2  LEU  43          HD22      LEU  43  -0.057  12.043  -1.172
  406   3HD2  LEU  43          HD23      LEU  43   1.247  11.056  -0.515
  407    H    GLN  44           HN       GLN  44  -0.432   6.353   1.822
  408    HA   GLN  44           HA       GLN  44   0.008   5.396  -0.871
  409   1HB   GLN  44           HB2      GLN  44   0.731   3.817   1.559
  410   2HB   GLN  44           HB1      GLN  44   1.561   3.916   0.016
  411   1HG   GLN  44           HG2      GLN  44   1.450   6.152   2.021
  412   2HG   GLN  44           HG1      GLN  44   2.767   4.989   1.897
  413   1HE2  GLN  44          HE21      GLN  44   1.152   7.672   0.379
  414   2HE2  GLN  44          HE22      GLN  44   2.407   8.044  -0.757
  415    H    VAL  45           HN       VAL  45  -1.345   4.001   2.094
  416    HA   VAL  45           HA       VAL  45  -2.411   1.675   1.325
  417    HB   VAL  45           HB       VAL  45  -4.340   2.120   2.834
  418   1HG1  VAL  45          HG11      VAL  45  -2.217   3.184   4.460
  419   2HG1  VAL  45          HG12      VAL  45  -1.615   1.922   3.386
  420   3HG1  VAL  45          HG13      VAL  45  -2.951   1.583   4.486
  421   1HG2  VAL  45          HG21      VAL  45  -4.007   4.368   4.122
  422   2HG2  VAL  45          HG22      VAL  45  -4.914   4.349   2.609
  423   3HG2  VAL  45          HG23      VAL  45  -3.236   4.890   2.623
  424    H    ARG  46           HN       ARG  46  -3.665   4.827   0.359
  425    HA   ARG  46           HA       ARG  46  -5.988   3.684  -0.891
  426   1HB   ARG  46           HB2      ARG  46  -6.161   6.076  -1.844
  427   2HB   ARG  46           HB1      ARG  46  -6.431   5.828  -0.132
  428   1HG   ARG  46           HG2      ARG  46  -4.795   7.222   0.388
  429   2HG   ARG  46           HG1      ARG  46  -3.656   6.363  -0.644
  430   1HD   ARG  46           HD2      ARG  46  -4.052   8.798  -1.201
  431   2HD   ARG  46           HD1      ARG  46  -4.235   7.654  -2.530
  432    HE   ARG  46           HE       ARG  46  -6.700   8.222  -1.177
  433   1HH1  ARG  46          HH11      ARG  46  -4.499   9.315  -3.656
  434   2HH1  ARG  46          HH12      ARG  46  -5.717  10.184  -4.528
  435   1HH2  ARG  46          HH21      ARG  46  -8.302   9.362  -2.325
  436   2HH2  ARG  46          HH22      ARG  46  -7.877  10.210  -3.773
  437    H    VAL  47           HN       VAL  47  -3.149   5.473  -2.160
  438    HA   VAL  47           HA       VAL  47  -3.681   4.781  -4.867
  439    HB   VAL  47           HB       VAL  47  -1.479   5.679  -5.362
  440   1HG1  VAL  47          HG11      VAL  47  -2.300   7.537  -3.219
  441   2HG1  VAL  47          HG12      VAL  47  -3.543   7.093  -4.389
  442   3HG1  VAL  47          HG13      VAL  47  -2.038   7.830  -4.939
  443   1HG2  VAL  47          HG21      VAL  47  -0.070   6.495  -3.409
  444   2HG2  VAL  47          HG22      VAL  47  -0.105   4.752  -3.677
  445   3HG2  VAL  47          HG23      VAL  47  -1.074   5.464  -2.389
  446    H    TRP  48           HN       TRP  48  -1.467   3.522  -2.434
  447    HA   TRP  48           HA       TRP  48  -0.125   1.666  -4.029
  448   1HB   TRP  48           HB2      TRP  48  -0.060   2.521  -1.368
  449   2HB   TRP  48           HB1      TRP  48  -0.374   0.794  -1.279
  450    HD1  TRP  48           HD1      TRP  48   2.292   3.322  -2.274
  451    HE1  TRP  48           HE1      TRP  48   4.524   2.093  -2.637
  452    HE3  TRP  48           HE3      TRP  48   0.622  -1.498  -1.992
  453    HZ2  TRP  48           HZ2      TRP  48   5.454  -0.567  -2.785
  454    HZ3  TRP  48           HZ3      TRP  48   2.247  -3.327  -2.256
  455    HH2  TRP  48           HH2      TRP  48   4.613  -2.871  -2.643
  456    H    PHE  49           HN       PHE  49  -2.895   1.154  -1.802
  457    HA   PHE  49           HA       PHE  49  -3.235  -1.567  -2.516
  458   1HB   PHE  49           HB2      PHE  49  -5.221   0.382  -1.329
  459   2HB   PHE  49           HB1      PHE  49  -5.478  -1.349  -1.463
  460    HD1  PHE  49           HD1      PHE  49  -2.289  -1.644  -0.775
  461    HD2  PHE  49           HD2      PHE  49  -5.728   0.039   1.084
  462    HE1  PHE  49           HE1      PHE  49  -1.253  -1.970   1.435
  463    HE2  PHE  49           HE2      PHE  49  -4.698  -0.279   3.291
  464    HZ   PHE  49           HZ       PHE  49  -2.462  -1.282   3.473
  465    H    ILE  50           HN       ILE  50  -4.237   1.417  -4.005
  466    HA   ILE  50           HA       ILE  50  -6.464   0.564  -5.440
  467    HB   ILE  50           HB       ILE  50  -4.462   2.715  -5.795
  468   1HG1  ILE  50          HG12      ILE  50  -6.631   2.921  -4.552
  469   2HG1  ILE  50          HG11      ILE  50  -6.413   4.113  -5.828
  470   1HG2  ILE  50          HG21      ILE  50  -4.385   1.978  -8.041
  471   2HG2  ILE  50          HG22      ILE  50  -5.498   3.346  -8.009
  472   3HG2  ILE  50          HG23      ILE  50  -6.126   1.700  -8.085
  473   1HD1  ILE  50          HD11      ILE  50  -7.791   2.576  -7.296
  474   2HD1  ILE  50          HD12      ILE  50  -8.639   3.402  -5.987
  475   3HD1  ILE  50          HD13      ILE  50  -8.194   1.703  -5.817
  476    H    ASN  51           HN       ASN  51  -3.054   0.538  -6.476
  477    HA   ASN  51           HA       ASN  51  -3.660  -1.063  -8.798
  478   1HB   ASN  51           HB2      ASN  51  -0.961  -0.332  -7.641
  479   2HB   ASN  51           HB1      ASN  51  -1.275  -0.955  -9.259
  480   1HD2  ASN  51          HD21      ASN  51  -0.160   1.625  -8.080
  481   2HD2  ASN  51          HD22      ASN  51  -1.003   2.866  -8.948
  482    H    LYS  52           HN       LYS  52  -2.493  -1.561  -5.554
  483    HA   LYS  52           HA       LYS  52  -1.809  -4.348  -6.090
  484   1HB   LYS  52           HB2      LYS  52  -1.499  -2.543  -3.702
  485   2HB   LYS  52           HB1      LYS  52  -1.248  -4.280  -3.578
  486   1HG   LYS  52           HG2      LYS  52   0.263  -2.374  -5.357
  487   2HG   LYS  52           HG1      LYS  52   0.861  -3.136  -3.883
  488   1HD   LYS  52           HD2      LYS  52   0.356  -5.360  -5.050
  489   2HD   LYS  52           HD1      LYS  52   0.226  -4.408  -6.530
  490   1HE   LYS  52           HE2      LYS  52   2.513  -3.526  -6.080
  491   2HE   LYS  52           HE1      LYS  52   2.627  -4.643  -4.721
  492   1HZ   LYS  52           HZ1      LYS  52   1.925  -6.312  -6.663
  493   2HZ   LYS  52           HZ2      LYS  52   3.535  -5.962  -6.283
  494   3HZ   LYS  52           HZ3      LYS  52   2.780  -5.171  -7.573
  495    H    ARG  53           HN       ARG  53  -4.617  -3.016  -5.930
  496    HA   ARG  53           HA       ARG  53  -6.018  -5.246  -4.998
  497   1HB   ARG  53           HB2      ARG  53  -5.222  -4.371  -2.792
  498   2HB   ARG  53           HB1      ARG  53  -6.120  -2.896  -3.106
  499   1HG   ARG  53           HG2      ARG  53  -8.015  -4.820  -3.517
  500   2HG   ARG  53           HG1      ARG  53  -7.062  -5.490  -2.202
  501   1HD   ARG  53           HD2      ARG  53  -9.012  -4.045  -1.518
  502   2HD   ARG  53           HD1      ARG  53  -7.452  -3.599  -0.828
  503    HE   ARG  53           HE       ARG  53  -8.097  -2.194  -3.253
  504   1HH1  ARG  53          HH11      ARG  53  -8.445  -2.220   0.220
  505   2HH1  ARG  53          HH12      ARG  53  -8.714  -0.514   0.330
  506   1HH2  ARG  53          HH21      ARG  53  -8.451   0.050  -3.110
  507   2HH2  ARG  53          HH22      ARG  53  -8.718   0.776  -1.560
  508    H    MET  54           HN       MET  54  -6.042  -3.440  -7.233
  509    HA   MET  54           HA       MET  54  -8.133  -1.567  -7.102
  510   1HB   MET  54           HB2      MET  54  -6.317  -2.322  -9.009
  511   2HB   MET  54           HB1      MET  54  -7.817  -2.938  -9.685
  512   1HG   MET  54           HG2      MET  54  -8.490  -0.399  -8.860
  513   2HG   MET  54           HG1      MET  54  -6.846  -0.213  -9.466
  514   1HE   MET  54           HE1      MET  54  -7.708  -2.863 -12.242
  515   2HE   MET  54           HE2      MET  54  -6.390  -2.157 -11.306
  516   3HE   MET  54           HE3      MET  54  -6.812  -1.484 -12.881
  517    H    ARG  55           HN       ARG  55  -9.515  -3.021  -5.709
  518    HA   ARG  55           HA       ARG  55 -10.904  -5.193  -6.906
  519   1HB   ARG  55           HB2      ARG  55 -11.496  -3.556  -4.439
  520   2HB   ARG  55           HB1      ARG  55 -12.397  -4.992  -4.908
  521   1HG   ARG  55           HG2      ARG  55  -9.467  -5.285  -4.726
  522   2HG   ARG  55           HG1      ARG  55 -10.334  -5.038  -3.209
  523   1HD   ARG  55           HD2      ARG  55 -10.898  -7.186  -3.215
  524   2HD   ARG  55           HD1      ARG  55 -11.808  -6.925  -4.702
  525    HE   ARG  55           HE       ARG  55  -9.284  -7.230  -5.596
  526   1HH1  ARG  55          HH11      ARG  55 -11.267  -9.124  -3.438
  527   2HH1  ARG  55          HH12      ARG  55 -10.513 -10.624  -3.861
  528   1HH2  ARG  55          HH21      ARG  55  -8.292  -9.201  -6.153
  529   2HH2  ARG  55          HH22      ARG  55  -8.824 -10.668  -5.403
  530    H    SER  56           HN       SER  56 -11.918  -1.891  -6.028
  531    HA   SER  56           HA       SER  56 -14.376  -2.169  -7.528
  532   1HB   SER  56           HB2      SER  56 -13.925  -0.818  -5.309
  533   2HB   SER  56           HB1      SER  56 -13.439   0.454  -6.431
  534    HG   SER  56           HG       SER  56 -15.725   0.401  -5.790
  535    H    LYS  57           HN       LYS  57 -14.981  -0.252  -8.988
  536    HA   LYS  57           HA       LYS  57 -12.691   0.568 -10.637
  537   1HB   LYS  57           HB2      LYS  57 -14.072  -1.454 -11.521
  538   2HB   LYS  57           HB1      LYS  57 -15.286  -0.244 -11.908
  539   1HG   LYS  57           HG2      LYS  57 -14.200   0.367 -13.740
  540   2HG   LYS  57           HG1      LYS  57 -12.693   0.583 -12.848
  541   1HD   LYS  57           HD2      LYS  57 -12.025  -1.106 -14.211
  542   2HD   LYS  57           HD1      LYS  57 -12.744  -2.085 -12.932
  543   1HE   LYS  57           HE2      LYS  57 -14.924  -1.813 -14.334
  544   2HE   LYS  57           HE1      LYS  57 -13.811  -1.425 -15.645
  545   1HZ   LYS  57           HZ1      LYS  57 -13.883  -3.933 -14.059
  546   2HZ   LYS  57           HZ2      LYS  57 -12.681  -3.559 -15.189
  547   3HZ   LYS  57           HZ3      LYS  57 -14.284  -3.752 -15.693
  Start of MODEL    5
    1   1H    LYS  -3           HT1      LYS  -3  17.638   6.749   7.407
    2   2H    LYS  -3           HT2      LYS  -3  16.043   6.998   6.826
    3   3H    LYS  -3           HT3      LYS  -3  17.190   8.273   6.766
    4    HA   LYS  -3           HA       LYS  -3  18.463   7.178   5.165
    5   1HB   LYS  -3           HB2      LYS  -3  18.068   4.922   6.185
    6   2HB   LYS  -3           HB1      LYS  -3  16.488   4.901   5.413
    7   1HG   LYS  -3           HG2      LYS  -3  17.702   3.718   3.891
    8   2HG   LYS  -3           HG1      LYS  -3  17.902   5.348   3.244
    9   1HD   LYS  -3           HD2      LYS  -3  19.988   5.300   4.911
   10   2HD   LYS  -3           HD1      LYS  -3  19.864   3.571   4.581
   11   1HE   LYS  -3           HE2      LYS  -3  19.915   4.078   2.157
   12   2HE   LYS  -3           HE1      LYS  -3  20.158   5.779   2.548
   13   1HZ   LYS  -3           HZ1      LYS  -3  22.042   4.156   3.914
   14   2HZ   LYS  -3           HZ2      LYS  -3  22.315   5.424   2.828
   15   3HZ   LYS  -3           HZ3      LYS  -3  22.101   3.849   2.251
   16    H    LYS  -2           HN       LYS  -2  17.485   9.073   4.248
   17    HA   LYS  -2           HA       LYS  -2  16.313  10.170   2.642
   18   1HB   LYS  -2           HB2      LYS  -2  15.654   7.356   1.762
   19   2HB   LYS  -2           HB1      LYS  -2  15.251   8.797   0.840
   20   1HG   LYS  -2           HG2      LYS  -2  17.383   9.126   0.158
   21   2HG   LYS  -2           HG1      LYS  -2  18.076   8.482   1.648
   22   1HD   LYS  -2           HD2      LYS  -2  17.991   6.310   0.912
   23   2HD   LYS  -2           HD1      LYS  -2  16.633   6.619  -0.173
   24   1HE   LYS  -2           HE2      LYS  -2  17.970   7.263  -1.878
   25   2HE   LYS  -2           HE1      LYS  -2  19.137   8.039  -0.808
   26   1HZ   LYS  -2           HZ1      LYS  -2  18.938   5.110  -0.818
   27   2HZ   LYS  -2           HZ2      LYS  -2  20.272   6.094  -0.484
   28   3HZ   LYS  -2           HZ3      LYS  -2  19.759   5.878  -2.082
   29    H    GLU  -1           HN       GLU  -1  14.101   7.410   2.936
   30    HA   GLU  -1           HA       GLU  -1  11.894   7.292   3.473
   31   1HB   GLU  -1           HB2      GLU  -1  13.220   8.400   5.636
   32   2HB   GLU  -1           HB1      GLU  -1  11.869   9.498   5.388
   33   1HG   GLU  -1           HG2      GLU  -1  11.214   7.828   6.958
   34   2HG   GLU  -1           HG1      GLU  -1  10.339   7.552   5.452
   35    H    LYS   0           HN       LYS   0  12.611   9.026   1.306
   36    HA   LYS   0           HA       LYS   0  10.557  11.122   1.518
   37   1HB   LYS   0           HB2      LYS   0  11.699  12.162  -0.435
   38   2HB   LYS   0           HB1      LYS   0  12.719  12.044   0.993
   39   1HG   LYS   0           HG2      LYS   0  13.750  10.006   0.024
   40   2HG   LYS   0           HG1      LYS   0  12.804  10.275  -1.441
   41   1HD   LYS   0           HD2      LYS   0  14.804  12.204  -0.261
   42   2HD   LYS   0           HD1      LYS   0  15.091  11.151  -1.648
   43   1HE   LYS   0           HE2      LYS   0  14.413  12.902  -2.869
   44   2HE   LYS   0           HE1      LYS   0  12.790  12.420  -2.378
   45   1HZ   LYS   0           HZ1      LYS   0  13.098  14.749  -1.964
   46   2HZ   LYS   0           HZ2      LYS   0  14.500  14.462  -1.065
   47   3HZ   LYS   0           HZ3      LYS   0  13.000  13.948  -0.478
   48    H    SER   1           HN       SER   1   9.272   8.940   1.210
   49    HA   SER   1           HA       SER   1   9.109   7.763  -1.331
   50   1HB   SER   1           HB2      SER   1   6.541   7.765   0.000
   51   2HB   SER   1           HB1      SER   1   7.647   6.422  -0.287
   52    HG   SER   1           HG       SER   1   7.596   6.572   1.871
   53    HA   PRO   2           HA       PRO   2   5.329  10.667  -2.256
   54   1HB   PRO   2           HB2      PRO   2   5.132  12.884  -0.645
   55   2HB   PRO   2           HB1      PRO   2   4.220  11.392  -0.396
   56   1HG   PRO   2           HG2      PRO   2   6.729  12.325   0.938
   57   2HG   PRO   2           HG1      PRO   2   5.315  11.521   1.645
   58   1HD   PRO   2           HD2      PRO   2   7.584  10.184   1.118
   59   2HD   PRO   2           HD1      PRO   2   5.991   9.426   0.924
   60    H    LYS   3           HN       LYS   3   5.214  12.828  -3.291
   61    HA   LYS   3           HA       LYS   3   6.117  14.474  -4.573
   62   1HB   LYS   3           HB2      LYS   3   6.875  15.184  -2.207
   63   2HB   LYS   3           HB1      LYS   3   8.458  14.587  -2.688
   64   1HG   LYS   3           HG2      LYS   3   8.864  16.355  -4.002
   65   2HG   LYS   3           HG1      LYS   3   7.210  16.408  -4.615
   66   1HD   LYS   3           HD2      LYS   3   8.082  17.384  -1.895
   67   2HD   LYS   3           HD1      LYS   3   7.816  18.415  -3.303
   68   1HE   LYS   3           HE2      LYS   3   5.474  17.140  -3.281
   69   2HE   LYS   3           HE1      LYS   3   5.861  17.019  -1.565
   70   1HZ   LYS   3           HZ1      LYS   3   5.393  19.430  -3.192
   71   2HZ   LYS   3           HZ2      LYS   3   6.326  19.531  -1.783
   72   3HZ   LYS   3           HZ3      LYS   3   4.721  19.002  -1.699
   73    H    GLY   4           HN       GLY   4   6.715  11.762  -5.200
   74   1HA   GLY   4           HA2      GLY   4   8.302  11.796  -7.323
   75   2HA   GLY   4           HA1      GLY   4   9.508  11.748  -6.046
   76    H    LYS   5           HN       LYS   5  10.183   9.723  -6.999
   77    HA   LYS   5           HA       LYS   5   8.736   7.488  -5.824
   78   1HB   LYS   5           HB2      LYS   5   7.919   7.801  -8.201
   79   2HB   LYS   5           HB1      LYS   5   9.547   7.401  -8.730
   80   1HG   LYS   5           HG2      LYS   5   9.327   5.227  -7.534
   81   2HG   LYS   5           HG1      LYS   5   7.640   5.634  -7.217
   82   1HD   LYS   5           HD2      LYS   5   7.463   5.970  -9.763
   83   2HD   LYS   5           HD1      LYS   5   8.983   5.076  -9.842
   84   1HE   LYS   5           HE2      LYS   5   7.541   3.475  -8.206
   85   2HE   LYS   5           HE1      LYS   5   6.260   4.144  -9.216
   86   1HZ   LYS   5           HZ1      LYS   5   7.511   3.423 -11.175
   87   2HZ   LYS   5           HZ2      LYS   5   7.111   2.120 -10.175
   88   3HZ   LYS   5           HZ3      LYS   5   8.689   2.730 -10.177
   89    H    SER   6           HN       SER   6  10.289   6.739  -4.525
   90    HA   SER   6           HA       SER   6  12.962   6.292  -5.681
   91   1HB   SER   6           HB2      SER   6  12.646   6.402  -2.728
   92   2HB   SER   6           HB1      SER   6  13.971   6.971  -3.744
   93    HG   SER   6           HG       SER   6  11.503   8.225  -3.193
   94    H    SER   7           HN       SER   7  10.209   4.722  -4.763
   95    HA   SER   7           HA       SER   7   9.688   2.550  -4.347
   96   1HB   SER   7           HB2      SER   7  11.558   2.360  -6.192
   97   2HB   SER   7           HB1      SER   7  12.512   1.697  -4.866
   98    HG   SER   7           HG       SER   7   9.966   0.748  -5.692
   99    H    ILE   8           HN       ILE   8  10.083   0.728  -2.860
  100    HA   ILE   8           HA       ILE   8  11.665   1.576  -0.521
  101    HB   ILE   8           HB       ILE   8   9.040   1.507  -0.409
  102   1HG1  ILE   8          HG12      ILE   8  10.535   0.122   1.809
  103   2HG1  ILE   8          HG11      ILE   8  10.766   1.832   1.459
  104   1HG2  ILE   8          HG21      ILE   8   8.031  -0.539   0.121
  105   2HG2  ILE   8          HG22      ILE   8   9.582  -1.346   0.350
  106   3HG2  ILE   8          HG23      ILE   8   9.054  -0.895  -1.271
  107   1HD1  ILE   8          HD11      ILE   8   9.130   1.267   3.287
  108   2HD1  ILE   8          HD12      ILE   8   8.070   0.643   2.022
  109   3HD1  ILE   8          HD13      ILE   8   8.538   2.343   2.022
  110    H    SER   9           HN       SER   9  12.192  -0.318   0.950
  111    HA   SER   9           HA       SER   9  13.836  -2.150  -0.336
  112   1HB   SER   9           HB2      SER   9  12.854  -3.221   2.169
  113   2HB   SER   9           HB1      SER   9  14.450  -2.577   1.788
  114    HG   SER   9           HG       SER   9  12.944  -1.497   3.442
  115    HA   PRO  10           HA       PRO  10  11.535  -5.771  -1.534
  116   1HB   PRO  10           HB2      PRO  10  11.750  -7.626   0.545
  117   2HB   PRO  10           HB1      PRO  10  12.873  -7.462  -0.808
  118   1HG   PRO  10           HG2      PRO  10  13.072  -6.378   1.964
  119   2HG   PRO  10           HG1      PRO  10  14.346  -7.041   0.924
  120   1HD   PRO  10           HD2      PRO  10  14.110  -4.416   1.282
  121   2HD   PRO  10           HD1      PRO  10  14.526  -5.069  -0.315
  122    H    GLN  11           HN       GLN  11  11.024  -4.509   1.652
  123    HA   GLN  11           HA       GLN  11   8.695  -5.704   2.489
  124   1HB   GLN  11           HB2      GLN  11   9.549  -2.817   2.720
  125   2HB   GLN  11           HB1      GLN  11   8.201  -3.513   3.609
  126   1HG   GLN  11           HG2      GLN  11   9.706  -5.037   4.742
  127   2HG   GLN  11           HG1      GLN  11  11.066  -4.420   3.805
  128   1HE2  GLN  11          HE21      GLN  11  10.468  -1.708   3.872
  129   2HE2  GLN  11          HE22      GLN  11  10.651  -1.134   5.494
  130    H    ALA  12           HN       ALA  12   9.156  -3.505  -0.176
  131    HA   ALA  12           HA       ALA  12   6.712  -2.346  -0.535
  132   1HB   ALA  12           HB1      ALA  12   7.582  -1.805  -2.511
  133   2HB   ALA  12           HB2      ALA  12   7.536  -3.485  -3.046
  134   3HB   ALA  12           HB3      ALA  12   8.935  -2.880  -2.159
  135    H    ARG  13           HN       ARG  13   7.632  -5.569  -1.709
  136    HA   ARG  13           HA       ARG  13   4.893  -6.285  -2.268
  137   1HB   ARG  13           HB2      ARG  13   5.779  -8.352  -3.097
  138   2HB   ARG  13           HB1      ARG  13   6.838  -7.063  -3.650
  139   1HG   ARG  13           HG2      ARG  13   8.101  -7.718  -1.386
  140   2HG   ARG  13           HG1      ARG  13   7.361  -9.272  -1.763
  141   1HD   ARG  13           HD2      ARG  13   8.323  -8.640  -4.182
  142   2HD   ARG  13           HD1      ARG  13   9.481  -7.767  -3.178
  143    HE   ARG  13           HE       ARG  13  10.396  -9.768  -2.569
  144   1HH1  ARG  13          HH11      ARG  13   7.225 -10.360  -3.901
  145   2HH1  ARG  13          HH12      ARG  13   7.399 -12.083  -3.874
  146   1HH2  ARG  13          HH21      ARG  13  10.628 -12.032  -2.536
  147   2HH2  ARG  13          HH22      ARG  13   9.331 -13.033  -3.099
  148    H    ALA  14           HN       ALA  14   7.340  -6.994   0.172
  149    HA   ALA  14           HA       ALA  14   5.986  -9.073   1.494
  150   1HB   ALA  14           HB1      ALA  14   7.829  -9.118   2.739
  151   2HB   ALA  14           HB2      ALA  14   7.586  -7.459   3.286
  152   3HB   ALA  14           HB3      ALA  14   8.421  -7.773   1.765
  153    H    PHE  15           HN       PHE  15   6.241  -5.631   2.396
  154    HA   PHE  15           HA       PHE  15   4.504  -5.691   4.548
  155   1HB   PHE  15           HB2      PHE  15   4.756  -3.433   4.615
  156   2HB   PHE  15           HB1      PHE  15   6.037  -3.771   3.464
  157    HD1  PHE  15           HD1      PHE  15   2.383  -2.995   3.523
  158    HD2  PHE  15           HD2      PHE  15   6.113  -2.524   1.529
  159    HE1  PHE  15           HE1      PHE  15   1.327  -1.462   1.916
  160    HE2  PHE  15           HE2      PHE  15   5.062  -0.995  -0.084
  161    HZ   PHE  15           HZ       PHE  15   2.666  -0.462   0.108
  162    H    LEU  16           HN       LEU  16   3.772  -4.930   1.149
  163    HA   LEU  16           HA       LEU  16   0.984  -4.670   1.559
  164   1HB   LEU  16           HB2      LEU  16   1.951  -3.761  -0.437
  165   2HB   LEU  16           HB1      LEU  16   2.591  -5.325  -0.908
  166    HG   LEU  16           HG       LEU  16  -0.081  -5.867  -0.772
  167   1HD1  LEU  16          HD11      LEU  16  -1.390  -4.130  -1.525
  168   2HD1  LEU  16          HD12      LEU  16  -0.012  -3.214  -2.130
  169   3HD1  LEU  16          HD13      LEU  16  -0.310  -3.312  -0.396
  170   1HD2  LEU  16          HD21      LEU  16   1.462  -4.843  -3.150
  171   2HD2  LEU  16          HD22      LEU  16  -0.038  -5.765  -3.215
  172   3HD2  LEU  16          HD23      LEU  16   1.425  -6.506  -2.570
  173    H    GLU  17           HN       GLU  17   3.106  -7.380   0.919
  174    HA   GLU  17           HA       GLU  17   1.301  -9.336   0.170
  175   1HB   GLU  17           HB2      GLU  17   3.982  -9.259   1.201
  176   2HB   GLU  17           HB1      GLU  17   3.097 -10.550   2.001
  177   1HG   GLU  17           HG2      GLU  17   4.313 -11.266  -0.031
  178   2HG   GLU  17           HG1      GLU  17   2.582 -11.591  -0.079
  179    H    GLN  18           HN       GLN  18   2.495  -8.924   3.489
  180    HA   GLN  18           HA       GLN  18   0.516 -10.486   4.692
  181   1HB   GLN  18           HB2      GLN  18   1.146  -9.008   6.768
  182   2HB   GLN  18           HB1      GLN  18   2.303 -10.145   6.088
  183   1HG   GLN  18           HG2      GLN  18   3.746  -8.532   5.626
  184   2HG   GLN  18           HG1      GLN  18   2.513  -7.568   4.819
  185   1HE2  GLN  18          HE21      GLN  18   2.772  -5.594   5.619
  186   2HE2  GLN  18          HE22      GLN  18   2.776  -5.189   7.303
  187    H    VAL  19           HN       VAL  19   0.552  -7.050   3.879
  188    HA   VAL  19           HA       VAL  19  -1.675  -6.213   5.347
  189    HB   VAL  19           HB       VAL  19  -0.718  -5.276   2.632
  190   1HG1  VAL  19          HG11      VAL  19  -2.989  -4.382   4.319
  191   2HG1  VAL  19          HG12      VAL  19  -2.799  -4.354   2.566
  192   3HG1  VAL  19          HG13      VAL  19  -2.000  -3.137   3.559
  193   1HG2  VAL  19          HG21      VAL  19  -0.411  -3.559   4.987
  194   2HG2  VAL  19          HG22      VAL  19   0.725  -3.930   3.692
  195   3HG2  VAL  19          HG23      VAL  19   0.526  -5.052   5.037
  196    H    PHE  20           HN       PHE  20  -1.699  -6.957   1.857
  197    HA   PHE  20           HA       PHE  20  -4.486  -7.231   1.664
  198   1HB   PHE  20           HB2      PHE  20  -3.035  -6.844  -0.272
  199   2HB   PHE  20           HB1      PHE  20  -2.317  -8.436  -0.069
  200    HD1  PHE  20           HD1      PHE  20  -5.138  -6.560  -1.347
  201    HD2  PHE  20           HD2      PHE  20  -3.649 -10.460  -0.520
  202    HE1  PHE  20           HE1      PHE  20  -6.868  -7.526  -2.806
  203    HE2  PHE  20           HE2      PHE  20  -5.376 -11.433  -1.977
  204    HZ   PHE  20           HZ       PHE  20  -6.987  -9.965  -3.123
  205    H    ARG  21           HN       ARG  21  -2.158  -9.349   3.005
  206    HA   ARG  21           HA       ARG  21  -3.615 -11.785   2.507
  207   1HB   ARG  21           HB2      ARG  21  -1.012 -11.175   3.255
  208   2HB   ARG  21           HB1      ARG  21  -1.702 -11.886   4.701
  209   1HG   ARG  21           HG2      ARG  21  -1.004 -13.795   3.730
  210   2HG   ARG  21           HG1      ARG  21  -2.551 -13.668   2.890
  211   1HD   ARG  21           HD2      ARG  21  -1.461 -12.582   1.007
  212   2HD   ARG  21           HD1      ARG  21   0.084 -12.627   1.854
  213    HE   ARG  21           HE       ARG  21  -0.760 -15.237   1.741
  214   1HH1  ARG  21          HH11      ARG  21  -0.077 -12.725  -0.583
  215   2HH1  ARG  21          HH12      ARG  21   0.420 -13.830  -1.820
  216   1HH2  ARG  21          HH21      ARG  21  -0.107 -16.693   0.115
  217   2HH2  ARG  21          HH22      ARG  21   0.402 -16.083  -1.425
  218    H    ARG  22           HN       ARG  22  -3.233  -9.500   5.156
  219    HA   ARG  22           HA       ARG  22  -4.496 -10.965   7.178
  220   1HB   ARG  22           HB2      ARG  22  -4.156  -8.022   6.672
  221   2HB   ARG  22           HB1      ARG  22  -5.042  -8.607   8.071
  222   1HG   ARG  22           HG2      ARG  22  -3.050  -9.860   8.787
  223   2HG   ARG  22           HG1      ARG  22  -2.166  -9.199   7.411
  224   1HD   ARG  22           HD2      ARG  22  -1.578  -7.821   9.211
  225   2HD   ARG  22           HD1      ARG  22  -2.794  -6.903   8.326
  226    HE   ARG  22           HE       ARG  22  -3.066  -8.088  10.965
  227   1HH1  ARG  22          HH11      ARG  22  -4.654  -6.550   8.258
  228   2HH1  ARG  22          HH12      ARG  22  -6.037  -6.073   9.184
  229   1HH2  ARG  22          HH21      ARG  22  -4.886  -7.463  12.175
  230   2HH2  ARG  22          HH22      ARG  22  -6.169  -6.591  11.406
  231    H    LYS  23           HN       LYS  23  -5.769  -8.907   4.645
  232    HA   LYS  23           HA       LYS  23  -8.336 -10.147   4.772
  233   1HB   LYS  23           HB2      LYS  23  -9.655  -8.193   5.379
  234   2HB   LYS  23           HB1      LYS  23  -8.532  -8.595   6.671
  235   1HG   LYS  23           HG2      LYS  23  -7.007  -6.829   5.800
  236   2HG   LYS  23           HG1      LYS  23  -8.269  -6.375   4.661
  237   1HD   LYS  23           HD2      LYS  23  -7.993  -5.151   6.990
  238   2HD   LYS  23           HD1      LYS  23  -9.578  -5.427   6.278
  239   1HE   LYS  23           HE2      LYS  23  -9.562  -5.999   8.649
  240   2HE   LYS  23           HE1      LYS  23  -9.862  -7.421   7.651
  241   1HZ   LYS  23           HZ1      LYS  23  -8.176  -8.388   8.686
  242   2HZ   LYS  23           HZ2      LYS  23  -7.791  -6.970   9.521
  243   3HZ   LYS  23           HZ3      LYS  23  -7.117  -7.263   7.997
  244    H    GLN  24           HN       GLN  24  -9.656  -7.729   3.577
  245    HA   GLN  24           HA       GLN  24  -8.100  -7.411   1.120
  246   1HB   GLN  24           HB2      GLN  24 -11.014  -8.130   0.965
  247   2HB   GLN  24           HB1      GLN  24  -9.810  -8.158  -0.314
  248   1HG   GLN  24           HG2      GLN  24  -9.613  -9.983   2.051
  249   2HG   GLN  24           HG1      GLN  24 -10.614 -10.384   0.656
  250   1HE2  GLN  24          HE21      GLN  24  -7.799 -11.084   1.973
  251   2HE2  GLN  24          HE22      GLN  24  -6.824 -11.351   0.564
  252    H    SER  25           HN       SER  25 -11.071  -6.556   2.836
  253    HA   SER  25           HA       SER  25 -11.315  -4.073   1.385
  254   1HB   SER  25           HB2      SER  25 -13.286  -5.436   2.077
  255   2HB   SER  25           HB1      SER  25 -12.926  -5.031   3.755
  256    HG   SER  25           HG       SER  25 -14.087  -3.325   3.381
  257    H    LEU  26           HN       LEU  26  -9.229  -3.179   2.071
  258    HA   LEU  26           HA       LEU  26  -8.928  -2.391   4.837
  259   1HB   LEU  26           HB2      LEU  26  -7.349  -1.604   2.380
  260   2HB   LEU  26           HB1      LEU  26  -6.924  -1.172   4.022
  261    HG   LEU  26           HG       LEU  26  -6.496  -3.692   2.562
  262   1HD1  LEU  26          HD11      LEU  26  -4.808  -3.612   4.712
  263   2HD1  LEU  26          HD12      LEU  26  -5.101  -1.901   4.400
  264   3HD1  LEU  26          HD13      LEU  26  -4.469  -2.936   3.120
  265   1HD2  LEU  26          HD21      LEU  26  -6.597  -5.100   4.543
  266   2HD2  LEU  26          HD22      LEU  26  -8.189  -4.444   4.159
  267   3HD2  LEU  26          HD23      LEU  26  -7.246  -3.755   5.482
  268    H    ASN  27           HN       ASN  27 -10.214  -0.816   5.603
  269    HA   ASN  27           HA       ASN  27 -11.036   1.342   3.805
  270   1HB   ASN  27           HB2      ASN  27 -12.406   1.878   6.074
  271   2HB   ASN  27           HB1      ASN  27 -12.995   0.806   4.811
  272   1HD2  ASN  27          HD21      ASN  27 -11.089   0.806   7.780
  273   2HD2  ASN  27          HD22      ASN  27 -11.623  -0.745   8.336
  274    H    SER  28           HN       SER  28 -11.472   3.459   5.320
  275    HA   SER  28           HA       SER  28  -9.066   4.751   5.558
  276   1HB   SER  28           HB2      SER  28 -11.789   5.237   6.639
  277   2HB   SER  28           HB1      SER  28 -10.469   6.160   7.363
  278    HG   SER  28           HG       SER  28 -11.660   6.469   4.954
  279    H    LYS  29           HN       LYS  29 -10.634   2.703   7.901
  280    HA   LYS  29           HA       LYS  29  -8.945   3.445  10.094
  281   1HB   LYS  29           HB2      LYS  29 -10.776   1.086   9.668
  282   2HB   LYS  29           HB1      LYS  29  -9.980   1.461  11.184
  283   1HG   LYS  29           HG2      LYS  29 -12.144   2.997   9.786
  284   2HG   LYS  29           HG1      LYS  29 -12.176   2.268  11.392
  285   1HD   LYS  29           HD2      LYS  29 -11.713   4.345  12.113
  286   2HD   LYS  29           HD1      LYS  29 -10.064   3.974  11.608
  287   1HE   LYS  29           HE2      LYS  29 -10.132   5.463   9.945
  288   2HE   LYS  29           HE1      LYS  29 -11.719   4.905   9.407
  289   1HZ   LYS  29           HZ1      LYS  29 -12.398   6.198  11.615
  290   2HZ   LYS  29           HZ2      LYS  29 -12.310   6.951  10.103
  291   3HZ   LYS  29           HZ3      LYS  29 -11.026   7.094  11.195
  292    H    GLU  30           HN       GLU  30  -9.169   0.655   7.934
  293    HA   GLU  30           HA       GLU  30  -6.895  -0.670   9.002
  294   1HB   GLU  30           HB2      GLU  30  -8.053  -1.053   6.242
  295   2HB   GLU  30           HB1      GLU  30  -7.145  -2.216   7.200
  296   1HG   GLU  30           HG2      GLU  30  -9.590  -1.243   8.484
  297   2HG   GLU  30           HG1      GLU  30  -9.859  -2.119   6.980
  298    H    LYS  31           HN       LYS  31  -7.485   1.494   6.299
  299    HA   LYS  31           HA       LYS  31  -4.995   1.302   5.054
  300   1HB   LYS  31           HB2      LYS  31  -5.722   3.037   3.760
  301   2HB   LYS  31           HB1      LYS  31  -7.253   2.572   4.469
  302   1HG   LYS  31           HG2      LYS  31  -7.108   4.339   6.087
  303   2HG   LYS  31           HG1      LYS  31  -5.487   4.760   5.525
  304   1HD   LYS  31           HD2      LYS  31  -6.341   5.442   3.394
  305   2HD   LYS  31           HD1      LYS  31  -7.957   4.860   3.802
  306   1HE   LYS  31           HE2      LYS  31  -8.052   6.521   5.628
  307   2HE   LYS  31           HE1      LYS  31  -6.478   7.134   5.123
  308   1HZ   LYS  31           HZ1      LYS  31  -8.515   8.353   4.284
  309   2HZ   LYS  31           HZ2      LYS  31  -8.778   7.028   3.267
  310   3HZ   LYS  31           HZ3      LYS  31  -7.356   7.932   3.126
  311    H    GLU  32           HN       GLU  32  -6.073   3.108   7.851
  312    HA   GLU  32           HA       GLU  32  -3.501   4.459   8.100
  313   1HB   GLU  32           HB2      GLU  32  -4.513   5.785   9.791
  314   2HB   GLU  32           HB1      GLU  32  -5.724   5.600   8.530
  315   1HG   GLU  32           HG2      GLU  32  -6.932   4.002   9.809
  316   2HG   GLU  32           HG1      GLU  32  -5.642   3.897  11.005
  317    H    GLU  33           HN       GLU  33  -5.415   1.966   9.663
  318    HA   GLU  33           HA       GLU  33  -3.664   1.597  11.890
  319   1HB   GLU  33           HB2      GLU  33  -5.875  -0.080  10.702
  320   2HB   GLU  33           HB1      GLU  33  -5.004  -0.531  12.157
  321   1HG   GLU  33           HG2      GLU  33  -6.152   2.178  12.127
  322   2HG   GLU  33           HG1      GLU  33  -7.302   0.842  12.156
  323    H    VAL  34           HN       VAL  34  -4.037   0.191   8.718
  324    HA   VAL  34           HA       VAL  34  -2.130  -1.927   9.140
  325    HB   VAL  34           HB       VAL  34  -3.456  -0.906   6.620
  326   1HG1  VAL  34          HG11      VAL  34  -2.176  -3.591   6.799
  327   2HG1  VAL  34          HG12      VAL  34  -1.176  -2.181   6.450
  328   3HG1  VAL  34          HG13      VAL  34  -2.518  -2.596   5.386
  329   1HG2  VAL  34          HG21      VAL  34  -4.687  -2.151   8.623
  330   2HG2  VAL  34          HG22      VAL  34  -4.053  -3.563   7.777
  331   3HG2  VAL  34          HG23      VAL  34  -5.106  -2.429   6.932
  332    H    ALA  35           HN       ALA  35  -2.199   1.231   7.566
  333    HA   ALA  35           HA       ALA  35   0.323   1.109   6.343
  334   1HB   ALA  35           HB1      ALA  35  -0.798   2.862   5.504
  335   2HB   ALA  35           HB2      ALA  35   0.085   3.733   6.749
  336   3HB   ALA  35           HB3      ALA  35  -1.582   3.240   7.034
  337    H    LYS  36           HN       LYS  36  -0.600   1.846   9.629
  338    HA   LYS  36           HA       LYS  36   2.017   2.891  10.298
  339   1HB   LYS  36           HB2      LYS  36   1.106   3.261  12.507
  340   2HB   LYS  36           HB1      LYS  36  -0.025   3.839  11.292
  341   1HG   LYS  36           HG2      LYS  36  -1.348   1.795  11.557
  342   2HG   LYS  36           HG1      LYS  36  -0.221   1.237  12.794
  343   1HD   LYS  36           HD2      LYS  36  -1.738   3.833  12.985
  344   2HD   LYS  36           HD1      LYS  36  -2.330   2.312  13.656
  345   1HE   LYS  36           HE2      LYS  36  -1.227   2.904  15.509
  346   2HE   LYS  36           HE1      LYS  36   0.225   2.425  14.632
  347   1HZ   LYS  36           HZ1      LYS  36  -0.139   4.951  13.788
  348   2HZ   LYS  36           HZ2      LYS  36   0.877   4.506  15.064
  349   3HZ   LYS  36           HZ3      LYS  36  -0.690   5.057  15.384
  350    H    LYS  37           HN       LYS  37   0.462  -0.184  10.342
  351    HA   LYS  37           HA       LYS  37   2.503  -1.217  12.190
  352   1HB   LYS  37           HB2      LYS  37   1.083  -3.094  12.600
  353   2HB   LYS  37           HB1      LYS  37   0.098  -1.644  12.733
  354   1HG   LYS  37           HG2      LYS  37  -0.863  -2.030  10.570
  355   2HG   LYS  37           HG1      LYS  37   0.226  -3.387  10.283
  356   1HD   LYS  37           HD2      LYS  37  -1.326  -3.611  12.754
  357   2HD   LYS  37           HD1      LYS  37  -2.312  -3.577  11.292
  358   1HE   LYS  37           HE2      LYS  37  -1.848  -5.846  11.641
  359   2HE   LYS  37           HE1      LYS  37  -0.719  -5.348  10.381
  360   1HZ   LYS  37           HZ1      LYS  37   0.107  -5.262  13.205
  361   2HZ   LYS  37           HZ2      LYS  37   1.058  -5.437  11.818
  362   3HZ   LYS  37           HZ3      LYS  37   0.125  -6.734  12.371
  363    H    CYS  38           HN       CYS  38   1.473  -1.263   8.907
  364    HA   CYS  38           HA       CYS  38   3.134  -3.600   8.331
  365   1HB   CYS  38           HB2      CYS  38   1.187  -2.079   6.591
  366   2HB   CYS  38           HB1      CYS  38   2.122  -3.474   6.062
  367    HG   CYS  38           HG       CYS  38   0.556  -4.317   8.432
  368    H    GLY  39           HN       GLY  39   3.043  -0.143   7.949
  369   1HA   GLY  39           HA2      GLY  39   5.199   0.954   7.676
  370   2HA   GLY  39           HA1      GLY  39   5.652  -0.331   6.568
  371    H    ILE  40           HN       ILE  40   2.483   1.117   6.413
  372    HA   ILE  40           HA       ILE  40   3.296   2.445   3.911
  373    HB   ILE  40           HB       ILE  40   0.423   2.094   4.168
  374   1HG1  ILE  40          HG12      ILE  40   1.998  -0.465   3.873
  375   2HG1  ILE  40          HG11      ILE  40   1.269   0.023   5.396
  376   1HG2  ILE  40          HG21      ILE  40   0.545   1.810   1.931
  377   2HG2  ILE  40          HG22      ILE  40   1.948   0.746   2.031
  378   3HG2  ILE  40          HG23      ILE  40   2.154   2.493   2.160
  379   1HD1  ILE  40          HD11      ILE  40  -0.249  -0.370   2.831
  380   2HD1  ILE  40          HD12      ILE  40  -0.924  -0.049   4.428
  381   3HD1  ILE  40          HD13      ILE  40  -0.099  -1.575   4.109
  382    H    THR  41           HN       THR  41   1.069   4.039   3.504
  383    HA   THR  41           HA       THR  41   0.770   5.649   5.924
  384    HB   THR  41           HB       THR  41   1.251   7.359   3.622
  385    HG1  THR  41           HG1      THR  41   3.460   6.941   3.457
  386   1HG2  THR  41          HG21      THR  41   3.214   7.670   5.642
  387   2HG2  THR  41          HG22      THR  41   1.649   7.421   6.415
  388   3HG2  THR  41          HG23      THR  41   1.857   8.723   5.243
  389    HA   PRO  42           HA       PRO  42  -3.428   6.301   4.812
  390   1HB   PRO  42           HB2      PRO  42  -2.869   9.227   5.002
  391   2HB   PRO  42           HB1      PRO  42  -4.147   8.274   5.766
  392   1HG   PRO  42           HG2      PRO  42  -2.043   9.084   7.176
  393   2HG   PRO  42           HG1      PRO  42  -2.737   7.472   7.427
  394   1HD   PRO  42           HD2      PRO  42  -0.235   8.260   6.009
  395   2HD   PRO  42           HD1      PRO  42  -0.579   6.810   6.974
  396    H    LEU  43           HN       LEU  43  -0.926   8.074   3.143
  397    HA   LEU  43           HA       LEU  43  -2.674   8.741   0.919
  398   1HB   LEU  43           HB2      LEU  43  -1.155  10.306   0.377
  399   2HB   LEU  43           HB1      LEU  43  -0.543  10.020   1.993
  400    HG   LEU  43           HG       LEU  43   0.960   8.230   0.808
  401   1HD1  LEU  43          HD11      LEU  43   0.387   8.126  -1.381
  402   2HD1  LEU  43          HD12      LEU  43   1.554   9.444  -1.488
  403   3HD1  LEU  43          HD13      LEU  43  -0.173   9.799  -1.430
  404   1HD2  LEU  43          HD21      LEU  43   2.214   9.843   1.781
  405   2HD2  LEU  43          HD22      LEU  43   1.249  11.155   1.106
  406   3HD2  LEU  43          HD23      LEU  43   2.451  10.341   0.106
  407    H    GLN  44           HN       GLN  44  -0.332   6.357   1.823
  408    HA   GLN  44           HA       GLN  44   0.077   5.401  -0.870
  409   1HB   GLN  44           HB2      GLN  44   0.779   3.808   1.558
  410   2HB   GLN  44           HB1      GLN  44   1.608   3.890   0.014
  411   1HG   GLN  44           HG2      GLN  44   1.535   6.141   2.005
  412   2HG   GLN  44           HG1      GLN  44   2.827   4.946   1.904
  413   1HE2  GLN  44          HE21      GLN  44   3.012   7.799   1.564
  414   2HE2  GLN  44          HE22      GLN  44   3.614   8.072  -0.038
  415    H    VAL  45           HN       VAL  45  -1.287   4.026   2.090
  416    HA   VAL  45           HA       VAL  45  -2.386   1.711   1.323
  417    HB   VAL  45           HB       VAL  45  -4.297   2.184   2.847
  418   1HG1  VAL  45          HG11      VAL  45  -2.137   3.211   4.451
  419   2HG1  VAL  45          HG12      VAL  45  -1.575   1.932   3.375
  420   3HG1  VAL  45          HG13      VAL  45  -2.907   1.626   4.491
  421   1HG2  VAL  45          HG21      VAL  45  -3.961   4.416   4.130
  422   2HG2  VAL  45          HG22      VAL  45  -4.815   4.437   2.587
  423   3HG2  VAL  45          HG23      VAL  45  -3.125   4.936   2.667
  424    H    ARG  46           HN       ARG  46  -3.592   4.871   0.348
  425    HA   ARG  46           HA       ARG  46  -5.950   3.756  -0.872
  426   1HB   ARG  46           HB2      ARG  46  -6.034   6.173  -1.858
  427   2HB   ARG  46           HB1      ARG  46  -6.413   5.898  -0.170
  428   1HG   ARG  46           HG2      ARG  46  -4.705   7.143   0.523
  429   2HG   ARG  46           HG1      ARG  46  -3.592   6.428  -0.636
  430   1HD   ARG  46           HD2      ARG  46  -3.943   8.865  -0.957
  431   2HD   ARG  46           HD1      ARG  46  -4.354   7.893  -2.370
  432    HE   ARG  46           HE       ARG  46  -6.722   8.132  -1.111
  433   1HH1  ARG  46          HH11      ARG  46  -4.311  10.475  -2.047
  434   2HH1  ARG  46          HH12      ARG  46  -5.457  11.755  -2.260
  435   1HH2  ARG  46          HH21      ARG  46  -8.232   9.814  -1.392
  436   2HH2  ARG  46          HH22      ARG  46  -7.683  11.380  -1.887
  437    H    VAL  47           HN       VAL  47  -3.116   5.526  -2.167
  438    HA   VAL  47           HA       VAL  47  -3.667   4.817  -4.866
  439    HB   VAL  47           HB       VAL  47  -1.482   5.728  -5.387
  440   1HG1  VAL  47          HG11      VAL  47  -2.050   7.874  -4.959
  441   2HG1  VAL  47          HG12      VAL  47  -2.276   7.583  -3.234
  442   3HG1  VAL  47          HG13      VAL  47  -3.540   7.129  -4.378
  443   1HG2  VAL  47          HG21      VAL  47  -0.043   6.547  -3.462
  444   2HG2  VAL  47          HG22      VAL  47  -0.083   4.801  -3.716
  445   3HG2  VAL  47          HG23      VAL  47  -1.032   5.526  -2.418
  446    H    TRP  48           HN       TRP  48  -1.428   3.581  -2.445
  447    HA   TRP  48           HA       TRP  48  -0.095   1.717  -4.036
  448   1HB   TRP  48           HB2      TRP  48  -0.002   2.597  -1.390
  449   2HB   TRP  48           HB1      TRP  48  -0.326   0.874  -1.271
  450    HD1  TRP  48           HD1      TRP  48   2.351   3.370  -2.280
  451    HE1  TRP  48           HE1      TRP  48   4.569   2.125  -2.670
  452    HE3  TRP  48           HE3      TRP  48   0.637  -1.434  -2.030
  453    HZ2  TRP  48           HZ2      TRP  48   5.472  -0.542  -2.849
  454    HZ3  TRP  48           HZ3      TRP  48   2.242  -3.276  -2.324
  455    HH2  TRP  48           HH2      TRP  48   4.608  -2.838  -2.724
  456    H    PHE  49           HN       PHE  49  -2.864   1.223  -1.805
  457    HA   PHE  49           HA       PHE  49  -3.190  -1.513  -2.482
  458   1HB   PHE  49           HB2      PHE  49  -5.175   0.448  -1.317
  459   2HB   PHE  49           HB1      PHE  49  -5.447  -1.281  -1.451
  460    HD1  PHE  49           HD1      PHE  49  -2.232  -1.529  -0.747
  461    HD2  PHE  49           HD2      PHE  49  -5.733   0.038   1.097
  462    HE1  PHE  49           HE1      PHE  49  -1.214  -1.865   1.470
  463    HE2  PHE  49           HE2      PHE  49  -4.721  -0.292   3.311
  464    HZ   PHE  49           HZ       PHE  49  -2.463  -1.242   3.504
  465    H    ILE  50           HN       ILE  50  -4.271   1.463  -3.952
  466    HA   ILE  50           HA       ILE  50  -6.465   0.592  -5.403
  467    HB   ILE  50           HB       ILE  50  -4.482   2.759  -5.738
  468   1HG1  ILE  50          HG12      ILE  50  -6.647   2.959  -4.512
  469   2HG1  ILE  50          HG11      ILE  50  -6.463   4.132  -5.813
  470   1HG2  ILE  50          HG21      ILE  50  -4.381   2.023  -7.989
  471   2HG2  ILE  50          HG22      ILE  50  -5.489   3.395  -7.959
  472   3HG2  ILE  50          HG23      ILE  50  -6.122   1.751  -8.051
  473   1HD1  ILE  50          HD11      ILE  50  -8.661   2.613  -5.397
  474   2HD1  ILE  50          HD12      ILE  50  -7.797   1.645  -6.593
  475   3HD1  ILE  50          HD13      ILE  50  -8.212   3.322  -6.948
  476    H    ASN  51           HN       ASN  51  -3.054   0.579  -6.443
  477    HA   ASN  51           HA       ASN  51  -3.661  -0.999  -8.778
  478   1HB   ASN  51           HB2      ASN  51  -0.924  -0.414  -7.645
  479   2HB   ASN  51           HB1      ASN  51  -1.336  -0.833  -9.305
  480   1HD2  ASN  51          HD21      ASN  51  -1.785   0.741 -10.704
  481   2HD2  ASN  51          HD22      ASN  51  -1.925   2.421 -10.298
  482    H    LYS  52           HN       LYS  52  -2.534  -1.541  -5.531
  483    HA   LYS  52           HA       LYS  52  -1.861  -4.326  -6.090
  484   1HB   LYS  52           HB2      LYS  52  -1.568  -2.553  -3.673
  485   2HB   LYS  52           HB1      LYS  52  -1.308  -4.292  -3.580
  486   1HG   LYS  52           HG2      LYS  52   0.207  -2.329  -5.294
  487   2HG   LYS  52           HG1      LYS  52   0.802  -3.155  -3.854
  488   1HD   LYS  52           HD2      LYS  52   0.290  -5.325  -5.121
  489   2HD   LYS  52           HD1      LYS  52   0.177  -4.306  -6.557
  490   1HE   LYS  52           HE2      LYS  52   2.444  -3.547  -6.254
  491   2HE   LYS  52           HE1      LYS  52   2.568  -4.414  -4.724
  492   1HZ   LYS  52           HZ1      LYS  52   1.844  -6.009  -7.043
  493   2HZ   LYS  52           HZ2      LYS  52   2.881  -6.375  -5.757
  494   3HZ   LYS  52           HZ3      LYS  52   3.423  -5.402  -7.030
  495    H    ARG  53           HN       ARG  53  -4.661  -3.033  -6.009
  496    HA   ARG  53           HA       ARG  53  -6.068  -5.257  -5.055
  497   1HB   ARG  53           HB2      ARG  53  -5.296  -4.230  -2.861
  498   2HB   ARG  53           HB1      ARG  53  -6.340  -2.867  -3.235
  499   1HG   ARG  53           HG2      ARG  53  -8.107  -4.833  -3.561
  500   2HG   ARG  53           HG1      ARG  53  -7.040  -5.603  -2.388
  501   1HD   ARG  53           HD2      ARG  53  -8.822  -4.439  -1.239
  502   2HD   ARG  53           HD1      ARG  53  -7.282  -3.642  -0.917
  503    HE   ARG  53           HE       ARG  53  -8.668  -2.483  -3.131
  504   1HH1  ARG  53          HH11      ARG  53  -8.482  -2.540   0.352
  505   2HH1  ARG  53          HH12      ARG  53  -9.148  -0.953   0.539
  506   1HH2  ARG  53          HH21      ARG  53  -9.545  -0.395  -2.888
  507   2HH2  ARG  53          HH22      ARG  53  -9.751   0.265  -1.299
  508    H    MET  54           HN       MET  54  -6.010  -3.394  -7.299
  509    HA   MET  54           HA       MET  54  -8.030  -1.523  -7.347
  510   1HB   MET  54           HB2      MET  54  -6.340  -2.637  -9.214
  511   2HB   MET  54           HB1      MET  54  -7.924  -3.143  -9.787
  512   1HG   MET  54           HG2      MET  54  -8.493  -0.599  -9.367
  513   2HG   MET  54           HG1      MET  54  -6.753  -0.427  -9.590
  514   1HE   MET  54           HE1      MET  54  -5.643  -0.982 -12.508
  515   2HE   MET  54           HE2      MET  54  -6.406  -2.531 -12.868
  516   3HE   MET  54           HE3      MET  54  -5.756  -2.222 -11.258
  517    H    ARG  55           HN       ARG  55  -9.790  -2.183  -6.106
  518    HA   ARG  55           HA       ARG  55 -11.221  -4.593  -6.619
  519   1HB   ARG  55           HB2      ARG  55 -11.823  -2.115  -5.019
  520   2HB   ARG  55           HB1      ARG  55 -13.007  -3.404  -5.199
  521   1HG   ARG  55           HG2      ARG  55 -10.304  -4.213  -4.326
  522   2HG   ARG  55           HG1      ARG  55 -11.266  -3.279  -3.178
  523   1HD   ARG  55           HD2      ARG  55 -13.132  -5.017  -3.925
  524   2HD   ARG  55           HD1      ARG  55 -11.713  -6.005  -4.266
  525    HE   ARG  55           HE       ARG  55 -11.464  -4.900  -1.697
  526   1HH1  ARG  55          HH11      ARG  55 -13.366  -7.262  -3.423
  527   2HH1  ARG  55          HH12      ARG  55 -13.666  -8.231  -2.020
  528   1HH2  ARG  55          HH21      ARG  55 -11.857  -6.174   0.151
  529   2HH2  ARG  55          HH22      ARG  55 -12.810  -7.613   0.009
  530    H    SER  56           HN       SER  56 -11.890  -1.167  -7.312
  531    HA   SER  56           HA       SER  56 -13.469  -1.999  -9.629
  532   1HB   SER  56           HB2      SER  56 -14.575  -0.889  -7.202
  533   2HB   SER  56           HB1      SER  56 -14.864   0.200  -8.558
  534    HG   SER  56           HG       SER  56 -15.833  -1.511  -9.667
  535    H    LYS  57           HN       LYS  57 -12.890   1.079  -7.931
  536    HA   LYS  57           HA       LYS  57 -11.736   2.127 -10.429
  537   1HB   LYS  57           HB2      LYS  57 -13.896   3.150  -9.575
  538   2HB   LYS  57           HB1      LYS  57 -12.967   3.765  -8.215
  539   1HG   LYS  57           HG2      LYS  57 -11.552   4.498 -10.526
  540   2HG   LYS  57           HG1      LYS  57 -13.253   4.838 -10.852
  541   1HD   LYS  57           HD2      LYS  57 -13.372   6.091  -8.725
  542   2HD   LYS  57           HD1      LYS  57 -11.648   5.802  -8.483
  543   1HE   LYS  57           HE2      LYS  57 -12.779   7.192 -10.903
  544   2HE   LYS  57           HE1      LYS  57 -12.247   8.045  -9.456
  545   1HZ   LYS  57           HZ1      LYS  57 -10.057   6.835  -9.808
  546   2HZ   LYS  57           HZ2      LYS  57 -10.423   8.088 -10.883
  547   3HZ   LYS  57           HZ3      LYS  57 -10.622   6.478 -11.363
  Start of MODEL    6
    1   1H    LYS  -3           HT1      LYS  -3  -0.106  19.170  -9.917
    2   2H    LYS  -3           HT2      LYS  -3   1.149  19.607  -8.832
    3   3H    LYS  -3           HT3      LYS  -3  -0.262  18.824  -8.246
    4    HA   LYS  -3           HA       LYS  -3   0.274  16.840  -9.286
    5   1HB   LYS  -3           HB2      LYS  -3   2.187  16.644 -10.793
    6   2HB   LYS  -3           HB1      LYS  -3   1.064  17.863 -11.380
    7   1HG   LYS  -3           HG2      LYS  -3   2.508  19.617 -10.440
    8   2HG   LYS  -3           HG1      LYS  -3   3.648  18.375  -9.923
    9   1HD   LYS  -3           HD2      LYS  -3   4.614  18.471 -11.923
   10   2HD   LYS  -3           HD1      LYS  -3   3.111  17.905 -12.654
   11   1HE   LYS  -3           HE2      LYS  -3   3.441  20.793 -11.959
   12   2HE   LYS  -3           HE1      LYS  -3   4.174  20.155 -13.430
   13   1HZ   LYS  -3           HZ1      LYS  -3   2.156  19.777 -14.384
   14   2HZ   LYS  -3           HZ2      LYS  -3   1.752  21.113 -13.428
   15   3HZ   LYS  -3           HZ3      LYS  -3   1.354  19.553 -12.911
   16    H    LYS  -2           HN       LYS  -2   2.654  15.647  -9.111
   17    HA   LYS  -2           HA       LYS  -2   3.336  16.007  -6.323
   18   1HB   LYS  -2           HB2      LYS  -2   4.670  13.965  -6.612
   19   2HB   LYS  -2           HB1      LYS  -2   3.025  13.749  -7.191
   20   1HG   LYS  -2           HG2      LYS  -2   4.892  14.637  -9.255
   21   2HG   LYS  -2           HG1      LYS  -2   5.288  13.067  -8.552
   22   1HD   LYS  -2           HD2      LYS  -2   2.742  12.591  -8.911
   23   2HD   LYS  -2           HD1      LYS  -2   2.860  13.909 -10.079
   24   1HE   LYS  -2           HE2      LYS  -2   3.768  12.543 -11.575
   25   2HE   LYS  -2           HE1      LYS  -2   5.064  12.131 -10.454
   26   1HZ   LYS  -2           HZ1      LYS  -2   3.335  10.355 -11.377
   27   2HZ   LYS  -2           HZ2      LYS  -2   2.491  10.846  -9.995
   28   3HZ   LYS  -2           HZ3      LYS  -2   4.056  10.219  -9.851
   29    H    GLU  -1           HN       GLU  -1   4.143  18.262  -7.242
   30    HA   GLU  -1           HA       GLU  -1   6.979  18.028  -7.976
   31   1HB   GLU  -1           HB2      GLU  -1   5.594  19.392  -9.480
   32   2HB   GLU  -1           HB1      GLU  -1   5.136  20.421  -8.131
   33   1HG   GLU  -1           HG2      GLU  -1   6.855  21.462  -9.491
   34   2HG   GLU  -1           HG1      GLU  -1   7.446  21.127  -7.863
   35    H    LYS   0           HN       LYS   0   4.766  19.406  -5.619
   36    HA   LYS   0           HA       LYS   0   7.014  20.478  -4.079
   37   1HB   LYS   0           HB2      LYS   0   5.241  21.522  -2.677
   38   2HB   LYS   0           HB1      LYS   0   5.179  22.013  -4.364
   39   1HG   LYS   0           HG2      LYS   0   3.273  20.720  -4.788
   40   2HG   LYS   0           HG1      LYS   0   3.473  19.786  -3.303
   41   1HD   LYS   0           HD2      LYS   0   2.499  21.375  -2.017
   42   2HD   LYS   0           HD1      LYS   0   3.167  22.702  -2.968
   43   1HE   LYS   0           HE2      LYS   0   1.089  22.959  -3.751
   44   2HE   LYS   0           HE1      LYS   0   1.426  21.532  -4.730
   45   1HZ   LYS   0           HZ1      LYS   0  -0.666  21.366  -3.484
   46   2HZ   LYS   0           HZ2      LYS   0   0.191  21.475  -2.030
   47   3HZ   LYS   0           HZ3      LYS   0   0.429  20.150  -3.054
   48    H    SER   1           HN       SER   1   6.806  17.673  -4.249
   49    HA   SER   1           HA       SER   1   5.729  16.849  -1.657
   50   1HB   SER   1           HB2      SER   1   6.225  14.529  -2.500
   51   2HB   SER   1           HB1      SER   1   5.057  15.424  -3.471
   52    HG   SER   1           HG       SER   1   7.109  14.254  -4.406
   53    HA   PRO   2           HA       PRO   2   9.795  17.272   0.169
   54   1HB   PRO   2           HB2      PRO   2   8.641  15.281   2.063
   55   2HB   PRO   2           HB1      PRO   2   9.444  16.819   2.397
   56   1HG   PRO   2           HG2      PRO   2   6.801  16.596   2.612
   57   2HG   PRO   2           HG1      PRO   2   7.538  18.064   1.944
   58   1HD   PRO   2           HD2      PRO   2   6.156  15.824   0.534
   59   2HD   PRO   2           HD1      PRO   2   6.145  17.562   0.175
   60    H    LYS   3           HN       LYS   3   8.324  14.016   0.265
   61    HA   LYS   3           HA       LYS   3  10.792  12.642   0.182
   62   1HB   LYS   3           HB2      LYS   3   7.946  11.953   0.093
   63   2HB   LYS   3           HB1      LYS   3   8.961  10.853  -0.830
   64   1HG   LYS   3           HG2      LYS   3  10.359  11.120   1.509
   65   2HG   LYS   3           HG1      LYS   3   8.682  11.177   2.053
   66   1HD   LYS   3           HD2      LYS   3   9.057   9.102   0.079
   67   2HD   LYS   3           HD1      LYS   3  10.185   8.905   1.421
   68   1HE   LYS   3           HE2      LYS   3   8.374   7.750   2.222
   69   2HE   LYS   3           HE1      LYS   3   8.046   9.356   2.872
   70   1HZ   LYS   3           HZ1      LYS   3   6.614   9.751   0.915
   71   2HZ   LYS   3           HZ2      LYS   3   6.059   8.492   1.899
   72   3HZ   LYS   3           HZ3      LYS   3   6.846   8.143   0.443
   73    H    GLY   4           HN       GLY   4   8.301  12.357  -2.336
   74   1HA   GLY   4           HA2      GLY   4   8.641  12.983  -4.629
   75   2HA   GLY   4           HA1      GLY   4  10.374  12.856  -4.366
   76    H    LYS   5           HN       LYS   5  11.308  11.127  -5.219
   77    HA   LYS   5           HA       LYS   5   9.892   9.089  -6.518
   78   1HB   LYS   5           HB2      LYS   5  12.220   9.731  -7.057
   79   2HB   LYS   5           HB1      LYS   5  12.750   9.030  -5.534
   80   1HG   LYS   5           HG2      LYS   5  13.129   7.183  -6.718
   81   2HG   LYS   5           HG1      LYS   5  11.379   6.959  -6.679
   82   1HD   LYS   5           HD2      LYS   5  11.338   8.412  -8.790
   83   2HD   LYS   5           HD1      LYS   5  13.076   8.122  -8.868
   84   1HE   LYS   5           HE2      LYS   5  12.254   6.420 -10.190
   85   2HE   LYS   5           HE1      LYS   5  12.399   5.623  -8.625
   86   1HZ   LYS   5           HZ1      LYS   5   9.857   6.922  -9.169
   87   2HZ   LYS   5           HZ2      LYS   5  10.178   5.445  -8.410
   88   3HZ   LYS   5           HZ3      LYS   5  10.197   5.550 -10.099
   89    H    SER   6           HN       SER   6   8.886   7.350  -5.769
   90    HA   SER   6           HA       SER   6   9.349   6.544  -2.993
   91   1HB   SER   6           HB2      SER   6   7.042   6.946  -3.438
   92   2HB   SER   6           HB1      SER   6   7.094   6.000  -4.926
   93    HG   SER   6           HG       SER   6   7.630   4.868  -2.390
   94    H    SER   7           HN       SER   7  10.445   4.770  -2.508
   95    HA   SER   7           HA       SER   7  10.336   2.379  -4.051
   96   1HB   SER   7           HB2      SER   7  11.919   3.773  -5.417
   97   2HB   SER   7           HB1      SER   7  13.006   3.803  -4.029
   98    HG   SER   7           HG       SER   7  12.057   1.393  -5.166
   99    H    ILE   8           HN       ILE   8   9.871   1.321  -2.170
  100    HA   ILE   8           HA       ILE   8  11.697   1.592   0.091
  101    HB   ILE   8           HB       ILE   8   9.080   1.524   0.212
  102   1HG1  ILE   8          HG12      ILE   8  10.455  -0.236   2.211
  103   2HG1  ILE   8          HG11      ILE   8  10.924   1.455   2.064
  104   1HG2  ILE   8          HG21      ILE   8   9.568  -1.413   0.562
  105   2HG2  ILE   8          HG22      ILE   8   9.100  -0.744  -1.001
  106   3HG2  ILE   8          HG23      ILE   8   8.038  -0.552   0.394
  107   1HD1  ILE   8          HD11      ILE   8   8.198   1.609   2.205
  108   2HD1  ILE   8          HD12      ILE   8   9.315   1.836   3.550
  109   3HD1  ILE   8          HD13      ILE   8   8.568   0.262   3.280
  110    H    SER   9           HN       SER   9  12.177  -0.495   1.290
  111    HA   SER   9           HA       SER   9  13.784  -2.162  -0.299
  112   1HB   SER   9           HB2      SER   9  12.965  -3.436   2.178
  113   2HB   SER   9           HB1      SER   9  14.546  -2.798   1.726
  114    HG   SER   9           HG       SER   9  13.813  -1.645   3.483
  115    HA   PRO  10           HA       PRO  10  11.370  -5.679  -1.615
  116   1HB   PRO  10           HB2      PRO  10  11.580  -7.639   0.381
  117   2HB   PRO  10           HB1      PRO  10  12.645  -7.465  -1.018
  118   1HG   PRO  10           HG2      PRO  10  13.021  -6.513   1.783
  119   2HG   PRO  10           HG1      PRO  10  14.215  -7.177   0.653
  120   1HD   PRO  10           HD2      PRO  10  14.117  -4.568   1.131
  121   2HD   PRO  10           HD1      PRO  10  14.400  -5.160  -0.518
  122    H    GLN  11           HN       GLN  11  10.995  -4.600   1.665
  123    HA   GLN  11           HA       GLN  11   8.665  -5.736   2.532
  124   1HB   GLN  11           HB2      GLN  11   9.670  -2.906   2.800
  125   2HB   GLN  11           HB1      GLN  11   8.225  -3.473   3.627
  126   1HG   GLN  11           HG2      GLN  11   9.558  -5.172   4.777
  127   2HG   GLN  11           HG1      GLN  11  11.004  -4.584   3.957
  128   1HE2  GLN  11          HE21      GLN  11  10.488  -1.843   4.101
  129   2HE2  GLN  11          HE22      GLN  11  10.601  -1.346   5.756
  130    H    ALA  12           HN       ALA  12   9.066  -3.428  -0.065
  131    HA   ALA  12           HA       ALA  12   6.622  -2.264  -0.321
  132   1HB   ALA  12           HB1      ALA  12   7.231  -1.777  -2.437
  133   2HB   ALA  12           HB2      ALA  12   7.590  -3.457  -2.832
  134   3HB   ALA  12           HB3      ALA  12   8.770  -2.488  -1.950
  135    H    ARG  13           HN       ARG  13   7.479  -5.439  -1.665
  136    HA   ARG  13           HA       ARG  13   4.720  -6.123  -2.158
  137   1HB   ARG  13           HB2      ARG  13   5.568  -8.154  -3.107
  138   2HB   ARG  13           HB1      ARG  13   6.613  -6.843  -3.637
  139   1HG   ARG  13           HG2      ARG  13   7.969  -7.579  -1.471
  140   2HG   ARG  13           HG1      ARG  13   7.186  -9.116  -1.831
  141   1HD   ARG  13           HD2      ARG  13   8.297  -7.830  -4.195
  142   2HD   ARG  13           HD1      ARG  13   9.515  -8.160  -2.963
  143    HE   ARG  13           HE       ARG  13   7.796 -10.396  -3.487
  144   1HH1  ARG  13          HH11      ARG  13  10.669  -8.710  -4.524
  145   2HH1  ARG  13          HH12      ARG  13  11.367 -10.105  -5.278
  146   1HH2  ARG  13          HH21      ARG  13   8.711 -12.232  -4.479
  147   2HH2  ARG  13          HH22      ARG  13  10.255 -12.103  -5.253
  148    H    ALA  14           HN       ALA  14   7.213  -6.892   0.203
  149    HA   ALA  14           HA       ALA  14   5.889  -9.046   1.462
  150   1HB   ALA  14           HB1      ALA  14   8.336  -7.724   1.734
  151   2HB   ALA  14           HB2      ALA  14   7.794  -9.161   2.599
  152   3HB   ALA  14           HB3      ALA  14   7.537  -7.563   3.298
  153    H    PHE  15           HN       PHE  15   6.199  -5.651   2.483
  154    HA   PHE  15           HA       PHE  15   4.537  -5.745   4.682
  155   1HB   PHE  15           HB2      PHE  15   4.741  -3.467   4.755
  156   2HB   PHE  15           HB1      PHE  15   6.035  -3.811   3.623
  157    HD1  PHE  15           HD1      PHE  15   2.366  -3.073   3.584
  158    HD2  PHE  15           HD2      PHE  15   6.155  -2.526   1.725
  159    HE1  PHE  15           HE1      PHE  15   1.341  -1.547   1.950
  160    HE2  PHE  15           HE2      PHE  15   5.134  -1.003   0.087
  161    HZ   PHE  15           HZ       PHE  15   2.726  -0.512   0.197
  162    H    LEU  16           HN       LEU  16   3.703  -4.974   1.317
  163    HA   LEU  16           HA       LEU  16   0.916  -4.739   1.827
  164   1HB   LEU  16           HB2      LEU  16   1.724  -3.696  -0.137
  165   2HB   LEU  16           HB1      LEU  16   2.529  -5.157  -0.677
  166    HG   LEU  16           HG       LEU  16  -0.122  -5.926  -0.571
  167   1HD1  LEU  16          HD11      LEU  16  -0.105  -3.240  -1.895
  168   2HD1  LEU  16          HD12      LEU  16  -0.603  -3.449  -0.218
  169   3HD1  LEU  16          HD13      LEU  16  -1.477  -4.274  -1.508
  170   1HD2  LEU  16          HD21      LEU  16   1.253  -6.627  -2.333
  171   2HD2  LEU  16          HD22      LEU  16   1.644  -4.972  -2.801
  172   3HD2  LEU  16          HD23      LEU  16   0.026  -5.614  -3.093
  173    H    GLU  17           HN       GLU  17   3.055  -7.372   0.915
  174    HA   GLU  17           HA       GLU  17   1.280  -9.317   0.123
  175   1HB   GLU  17           HB2      GLU  17   3.948  -9.277   1.298
  176   2HB   GLU  17           HB1      GLU  17   3.041 -10.713   1.751
  177   1HG   GLU  17           HG2      GLU  17   2.645 -11.215  -0.599
  178   2HG   GLU  17           HG1      GLU  17   3.532  -9.764  -1.062
  179    H    GLN  18           HN       GLN  18   2.400  -8.858   3.463
  180    HA   GLN  18           HA       GLN  18   0.460 -10.574   4.581
  181   1HB   GLN  18           HB2      GLN  18   1.076  -9.188   6.727
  182   2HB   GLN  18           HB1      GLN  18   2.231 -10.300   6.011
  183   1HG   GLN  18           HG2      GLN  18   3.685  -8.678   5.589
  184   2HG   GLN  18           HG1      GLN  18   2.448  -7.640   4.890
  185   1HE2  GLN  18          HE21      GLN  18   0.764  -7.271   7.011
  186   2HE2  GLN  18          HE22      GLN  18   1.586  -6.410   8.270
  187    H    VAL  19           HN       VAL  19   0.497  -7.117   3.894
  188    HA   VAL  19           HA       VAL  19  -1.758  -6.350   5.379
  189    HB   VAL  19           HB       VAL  19  -0.780  -5.263   2.729
  190   1HG1  VAL  19          HG11      VAL  19  -2.022  -3.168   3.683
  191   2HG1  VAL  19          HG12      VAL  19  -2.964  -4.374   4.558
  192   3HG1  VAL  19          HG13      VAL  19  -2.915  -4.403   2.795
  193   1HG2  VAL  19          HG21      VAL  19  -0.412  -3.647   5.124
  194   2HG2  VAL  19          HG22      VAL  19   0.732  -4.066   3.851
  195   3HG2  VAL  19          HG23      VAL  19   0.447  -5.186   5.184
  196    H    PHE  20           HN       PHE  20  -1.669  -6.967   1.863
  197    HA   PHE  20           HA       PHE  20  -4.447  -7.178   1.546
  198   1HB   PHE  20           HB2      PHE  20  -3.004  -6.769  -0.346
  199   2HB   PHE  20           HB1      PHE  20  -2.172  -8.297  -0.101
  200    HD1  PHE  20           HD1      PHE  20  -4.921  -6.635  -1.677
  201    HD2  PHE  20           HD2      PHE  20  -3.456 -10.439  -0.454
  202    HE1  PHE  20           HE1      PHE  20  -6.491  -7.733  -3.223
  203    HE2  PHE  20           HE2      PHE  20  -5.022 -11.543  -1.997
  204    HZ   PHE  20           HZ       PHE  20  -6.542 -10.190  -3.384
  205    H    ARG  21           HN       ARG  21  -2.186  -9.377   2.887
  206    HA   ARG  21           HA       ARG  21  -3.636 -11.785   2.312
  207   1HB   ARG  21           HB2      ARG  21  -1.095 -11.230   3.186
  208   2HB   ARG  21           HB1      ARG  21  -1.865 -11.812   4.647
  209   1HG   ARG  21           HG2      ARG  21  -1.306 -13.839   3.911
  210   2HG   ARG  21           HG1      ARG  21  -2.672 -13.660   2.808
  211   1HD   ARG  21           HD2      ARG  21  -1.274 -12.951   1.039
  212   2HD   ARG  21           HD1      ARG  21   0.096 -12.708   2.121
  213    HE   ARG  21           HE       ARG  21  -0.770 -15.187   0.937
  214   1HH1  ARG  21          HH11      ARG  21   1.041 -13.721   3.536
  215   2HH1  ARG  21          HH12      ARG  21   2.032 -15.115   3.798
  216   1HH2  ARG  21          HH21      ARG  21   0.533 -17.023   1.283
  217   2HH2  ARG  21          HH22      ARG  21   1.745 -16.990   2.520
  218    H    ARG  22           HN       ARG  22  -3.410  -9.531   5.009
  219    HA   ARG  22           HA       ARG  22  -4.849 -10.993   6.916
  220   1HB   ARG  22           HB2      ARG  22  -4.236  -8.114   6.477
  221   2HB   ARG  22           HB1      ARG  22  -5.505  -8.507   7.628
  222   1HG   ARG  22           HG2      ARG  22  -4.037  -9.105   9.179
  223   2HG   ARG  22           HG1      ARG  22  -3.158 -10.139   8.052
  224   1HD   ARG  22           HD2      ARG  22  -2.046  -8.098   7.156
  225   2HD   ARG  22           HD1      ARG  22  -2.830  -7.166   8.429
  226    HE   ARG  22           HE       ARG  22  -1.235  -7.913   9.870
  227   1HH1  ARG  22          HH11      ARG  22  -1.377 -10.117   7.168
  228   2HH1  ARG  22          HH12      ARG  22  -0.033 -11.066   7.711
  229   1HH2  ARG  22          HH21      ARG  22   0.533  -9.160  10.585
  230   2HH2  ARG  22          HH22      ARG  22   1.050 -10.524   9.651
  231    H    LYS  23           HN       LYS  23  -5.923  -8.775   4.403
  232    HA   LYS  23           HA       LYS  23  -8.474 -10.042   4.226
  233   1HB   LYS  23           HB2      LYS  23  -9.894  -8.248   4.931
  234   2HB   LYS  23           HB1      LYS  23  -8.784  -8.604   6.245
  235   1HG   LYS  23           HG2      LYS  23  -7.525  -6.660   5.847
  236   2HG   LYS  23           HG1      LYS  23  -8.277  -6.399   4.277
  237   1HD   LYS  23           HD2      LYS  23  -9.451  -5.992   7.011
  238   2HD   LYS  23           HD1      LYS  23  -9.274  -4.829   5.701
  239   1HE   LYS  23           HE2      LYS  23 -11.493  -5.269   5.482
  240   2HE   LYS  23           HE1      LYS  23 -10.855  -6.550   4.454
  241   1HZ   LYS  23           HZ1      LYS  23 -12.053  -6.730   7.120
  242   2HZ   LYS  23           HZ2      LYS  23 -10.858  -7.854   6.708
  243   3HZ   LYS  23           HZ3      LYS  23 -12.263  -7.734   5.774
  244    H    GLN  24           HN       GLN  24  -9.644  -7.383   3.203
  245    HA   GLN  24           HA       GLN  24  -7.958  -6.951   0.861
  246   1HB   GLN  24           HB2      GLN  24 -10.864  -7.524   0.409
  247   2HB   GLN  24           HB1      GLN  24  -9.535  -7.579  -0.738
  248   1HG   GLN  24           HG2      GLN  24  -9.686  -9.522   1.533
  249   2HG   GLN  24           HG1      GLN  24 -10.598  -9.780   0.048
  250   1HE2  GLN  24          HE21      GLN  24  -8.033 -10.873   1.494
  251   2HE2  GLN  24          HE22      GLN  24  -6.942 -11.100   0.166
  252    H    SER  25           HN       SER  25 -11.058  -6.170   2.393
  253    HA   SER  25           HA       SER  25 -11.100  -3.557   1.160
  254   1HB   SER  25           HB2      SER  25 -13.159  -4.935   1.488
  255   2HB   SER  25           HB1      SER  25 -12.997  -4.681   3.225
  256    HG   SER  25           HG       SER  25 -14.138  -3.091   1.446
  257    H    LEU  26           HN       LEU  26  -9.031  -2.906   2.236
  258    HA   LEU  26           HA       LEU  26  -9.049  -2.381   5.054
  259   1HB   LEU  26           HB2      LEU  26  -7.278  -1.158   2.931
  260   2HB   LEU  26           HB1      LEU  26  -6.986  -1.146   4.658
  261    HG   LEU  26           HG       LEU  26  -6.466  -3.257   2.664
  262   1HD1  LEU  26          HD11      LEU  26  -4.985  -3.558   5.047
  263   2HD1  LEU  26          HD12      LEU  26  -5.101  -1.829   4.724
  264   3HD1  LEU  26          HD13      LEU  26  -4.444  -2.912   3.498
  265   1HD2  LEU  26          HD21      LEU  26  -8.140  -4.465   3.836
  266   2HD2  LEU  26          HD22      LEU  26  -7.551  -3.894   5.398
  267   3HD2  LEU  26          HD23      LEU  26  -6.582  -5.022   4.449
  268    H    ASN  27           HN       ASN  27 -10.338  -0.869   5.943
  269    HA   ASN  27           HA       ASN  27 -11.260   1.360   4.324
  270   1HB   ASN  27           HB2      ASN  27 -12.887   1.754   5.995
  271   2HB   ASN  27           HB1      ASN  27 -12.758   0.004   5.877
  272   1HD2  ASN  27          HD21      ASN  27 -11.696  -1.139   7.535
  273   2HD2  ASN  27          HD22      ASN  27 -11.500  -0.452   9.114
  274    H    SER  28           HN       SER  28 -11.494   3.505   5.733
  275    HA   SER  28           HA       SER  28  -9.049   4.731   5.840
  276   1HB   SER  28           HB2      SER  28 -11.709   5.319   7.024
  277   2HB   SER  28           HB1      SER  28 -10.334   6.216   7.678
  278    HG   SER  28           HG       SER  28 -11.481   6.300   5.143
  279    H    LYS  29           HN       LYS  29 -10.534   2.728   8.254
  280    HA   LYS  29           HA       LYS  29  -8.782   3.467  10.394
  281   1HB   LYS  29           HB2      LYS  29 -10.655   1.134  10.006
  282   2HB   LYS  29           HB1      LYS  29  -9.780   1.450  11.492
  283   1HG   LYS  29           HG2      LYS  29 -11.986   3.053  10.248
  284   2HG   LYS  29           HG1      LYS  29 -11.934   2.301  11.843
  285   1HD   LYS  29           HD2      LYS  29 -11.425   4.385  12.536
  286   2HD   LYS  29           HD1      LYS  29  -9.800   3.959  11.996
  287   1HE   LYS  29           HE2      LYS  29  -9.853   5.452  10.339
  288   2HE   LYS  29           HE1      LYS  29 -11.462   4.937   9.824
  289   1HZ   LYS  29           HZ1      LYS  29 -11.012   6.690  12.172
  290   2HZ   LYS  29           HZ2      LYS  29 -12.470   6.378  11.374
  291   3HZ   LYS  29           HZ3      LYS  29 -11.270   7.294  10.613
  292    H    GLU  30           HN       GLU  30  -9.089   0.625   8.297
  293    HA   GLU  30           HA       GLU  30  -6.763  -0.654   9.305
  294   1HB   GLU  30           HB2      GLU  30  -8.222  -1.100   6.693
  295   2HB   GLU  30           HB1      GLU  30  -7.024  -2.178   7.396
  296   1HG   GLU  30           HG2      GLU  30  -8.777  -1.992   9.438
  297   2HG   GLU  30           HG1      GLU  30  -9.860  -1.798   8.060
  298    H    LYS  31           HN       LYS  31  -7.476   1.429   6.570
  299    HA   LYS  31           HA       LYS  31  -5.034   1.200   5.234
  300   1HB   LYS  31           HB2      LYS  31  -5.808   2.890   3.908
  301   2HB   LYS  31           HB1      LYS  31  -7.313   2.438   4.680
  302   1HG   LYS  31           HG2      LYS  31  -7.129   4.263   6.233
  303   2HG   LYS  31           HG1      LYS  31  -5.530   4.673   5.603
  304   1HD   LYS  31           HD2      LYS  31  -6.471   5.254   3.467
  305   2HD   LYS  31           HD1      LYS  31  -8.071   4.713   3.982
  306   1HE   LYS  31           HE2      LYS  31  -8.388   6.538   5.356
  307   2HE   LYS  31           HE1      LYS  31  -6.660   6.820   5.557
  308   1HZ   LYS  31           HZ1      LYS  31  -8.351   7.480   3.218
  309   2HZ   LYS  31           HZ2      LYS  31  -6.662   7.462   3.135
  310   3HZ   LYS  31           HZ3      LYS  31  -7.445   8.534   4.183
  311    H    GLU  32           HN       GLU  32  -6.019   3.111   7.998
  312    HA   GLU  32           HA       GLU  32  -3.454   4.484   8.100
  313   1HB   GLU  32           HB2      GLU  32  -4.403   5.843   9.801
  314   2HB   GLU  32           HB1      GLU  32  -5.668   5.610   8.602
  315   1HG   GLU  32           HG2      GLU  32  -6.807   4.049   9.977
  316   2HG   GLU  32           HG1      GLU  32  -5.459   3.963  11.108
  317    H    GLU  33           HN       GLU  33  -5.272   2.032   9.832
  318    HA   GLU  33           HA       GLU  33  -3.422   1.732  11.981
  319   1HB   GLU  33           HB2      GLU  33  -5.655   0.002  10.920
  320   2HB   GLU  33           HB1      GLU  33  -4.718  -0.412  12.345
  321   1HG   GLU  33           HG2      GLU  33  -5.894   2.283  12.326
  322   2HG   GLU  33           HG1      GLU  33  -7.033   0.941  12.409
  323    H    VAL  34           HN       VAL  34  -3.886   0.274   8.854
  324    HA   VAL  34           HA       VAL  34  -1.930  -1.809   9.256
  325    HB   VAL  34           HB       VAL  34  -3.399  -0.903   6.769
  326   1HG1  VAL  34          HG11      VAL  34  -2.096  -3.569   6.954
  327   2HG1  VAL  34          HG12      VAL  34  -1.091  -2.170   6.579
  328   3HG1  VAL  34          HG13      VAL  34  -2.454  -2.578   5.541
  329   1HG2  VAL  34          HG21      VAL  34  -3.869  -3.512   8.117
  330   2HG2  VAL  34          HG22      VAL  34  -4.977  -2.501   7.190
  331   3HG2  VAL  34          HG23      VAL  34  -4.549  -2.056   8.842
  332    H    ALA  35           HN       ALA  35  -2.119   1.315   7.619
  333    HA   ALA  35           HA       ALA  35   0.338   1.174   6.267
  334   1HB   ALA  35           HB1      ALA  35  -0.783   2.921   5.434
  335   2HB   ALA  35           HB2      ALA  35   0.089   3.819   6.671
  336   3HB   ALA  35           HB3      ALA  35  -1.564   3.292   6.969
  337    H    LYS  36           HN       LYS  36  -0.434   2.092   9.567
  338    HA   LYS  36           HA       LYS  36   2.261   3.037  10.060
  339   1HB   LYS  36           HB2      LYS  36   1.490   3.701  12.203
  340   2HB   LYS  36           HB1      LYS  36   0.208   4.088  11.065
  341   1HG   LYS  36           HG2      LYS  36  -1.016   2.103  11.734
  342   2HG   LYS  36           HG1      LYS  36   0.282   1.660  12.844
  343   1HD   LYS  36           HD2      LYS  36  -0.195   3.404  14.302
  344   2HD   LYS  36           HD1      LYS  36  -1.044   4.335  13.067
  345   1HE   LYS  36           HE2      LYS  36  -2.280   1.752  13.583
  346   2HE   LYS  36           HE1      LYS  36  -2.206   2.770  15.020
  347   1HZ   LYS  36           HZ1      LYS  36  -4.240   3.037  13.615
  348   2HZ   LYS  36           HZ2      LYS  36  -3.261   3.724  12.419
  349   3HZ   LYS  36           HZ3      LYS  36  -3.402   4.472  13.930
  350    H    LYS  37           HN       LYS  37   0.559   0.064  10.315
  351    HA   LYS  37           HA       LYS  37   2.543  -0.990  12.202
  352   1HB   LYS  37           HB2      LYS  37   1.051  -2.774  12.661
  353   2HB   LYS  37           HB1      LYS  37   0.078  -1.311  12.635
  354   1HG   LYS  37           HG2      LYS  37  -1.283  -2.351  11.230
  355   2HG   LYS  37           HG1      LYS  37  -0.004  -2.251  10.020
  356   1HD   LYS  37           HD2      LYS  37   0.593  -4.434  10.275
  357   2HD   LYS  37           HD1      LYS  37   0.160  -4.464  11.986
  358   1HE   LYS  37           HE2      LYS  37  -1.935  -4.248   9.850
  359   2HE   LYS  37           HE1      LYS  37  -1.281  -5.812  10.331
  360   1HZ   LYS  37           HZ1      LYS  37  -2.970  -3.958  11.842
  361   2HZ   LYS  37           HZ2      LYS  37  -1.861  -4.901  12.704
  362   3HZ   LYS  37           HZ3      LYS  37  -3.039  -5.646  11.746
  363    H    CYS  38           HN       CYS  38   1.511  -1.178   8.901
  364    HA   CYS  38           HA       CYS  38   3.200  -3.522   8.430
  365   1HB   CYS  38           HB2      CYS  38   1.234  -2.097   6.631
  366   2HB   CYS  38           HB1      CYS  38   2.194  -3.492   6.149
  367    HG   CYS  38           HG       CYS  38  -0.023  -3.633   8.330
  368    H    GLY  39           HN       GLY  39   3.022  -0.090   7.802
  369   1HA   GLY  39           HA2      GLY  39   5.219   0.989   7.524
  370   2HA   GLY  39           HA1      GLY  39   5.632  -0.310   6.419
  371    H    ILE  40           HN       ILE  40   2.451   1.061   6.276
  372    HA   ILE  40           HA       ILE  40   3.207   2.402   3.766
  373    HB   ILE  40           HB       ILE  40   0.344   2.031   4.100
  374   1HG1  ILE  40          HG12      ILE  40   1.991  -0.497   3.893
  375   2HG1  ILE  40          HG11      ILE  40   1.129  -0.001   5.341
  376   1HG2  ILE  40          HG21      ILE  40   1.823   0.660   1.944
  377   2HG2  ILE  40          HG22      ILE  40   2.024   2.410   2.041
  378   3HG2  ILE  40          HG23      ILE  40   0.412   1.715   1.864
  379   1HD1  ILE  40          HD11      ILE  40   0.106  -1.660   3.523
  380   2HD1  ILE  40          HD12      ILE  40  -0.453  -0.124   2.861
  381   3HD1  ILE  40          HD13      ILE  40  -0.881  -0.581   4.509
  382    H    THR  41           HN       THR  41   0.846   3.925   3.467
  383    HA   THR  41           HA       THR  41   0.603   5.550   5.865
  384    HB   THR  41           HB       THR  41   1.098   7.282   3.581
  385    HG1  THR  41           HG1      THR  41   3.068   6.707   3.065
  386   1HG2  THR  41          HG21      THR  41   1.501   8.586   5.322
  387   2HG2  THR  41          HG22      THR  41   3.046   7.749   5.483
  388   3HG2  THR  41          HG23      THR  41   1.648   7.208   6.413
  389    HA   PRO  42           HA       PRO  42  -3.603   6.185   4.759
  390   1HB   PRO  42           HB2      PRO  42  -3.019   9.112   4.929
  391   2HB   PRO  42           HB1      PRO  42  -4.324   8.181   5.675
  392   1HG   PRO  42           HG2      PRO  42  -2.229   8.967   7.115
  393   2HG   PRO  42           HG1      PRO  42  -2.958   7.370   7.366
  394   1HD   PRO  42           HD2      PRO  42  -0.406   8.099   6.017
  395   2HD   PRO  42           HD1      PRO  42  -0.818   6.645   6.947
  396    H    LEU  43           HN       LEU  43  -1.121   8.022   3.106
  397    HA   LEU  43           HA       LEU  43  -2.844   8.665   0.865
  398   1HB   LEU  43           HB2      LEU  43  -0.700   9.925   1.913
  399   2HB   LEU  43           HB1      LEU  43   0.086   9.011   0.640
  400    HG   LEU  43           HG       LEU  43  -1.744  10.033  -0.898
  401   1HD1  LEU  43          HD11      LEU  43  -2.062  11.555   1.622
  402   2HD1  LEU  43          HD12      LEU  43  -3.246  11.156   0.378
  403   3HD1  LEU  43          HD13      LEU  43  -2.098  12.468   0.114
  404   1HD2  LEU  43          HD21      LEU  43   0.259  12.010   0.114
  405   2HD2  LEU  43          HD22      LEU  43  -0.253  11.685  -1.541
  406   3HD2  LEU  43          HD23      LEU  43   0.787  10.537  -0.698
  407    H    GLN  44           HN       GLN  44  -0.477   6.279   1.759
  408    HA   GLN  44           HA       GLN  44  -0.136   5.294  -0.932
  409   1HB   GLN  44           HB2      GLN  44   0.645   3.750   1.507
  410   2HB   GLN  44           HB1      GLN  44   1.429   3.807  -0.064
  411   1HG   GLN  44           HG2      GLN  44   1.430   5.983   2.009
  412   2HG   GLN  44           HG1      GLN  44   2.775   4.921   1.603
  413   1HE2  GLN  44          HE21      GLN  44   1.673   7.933   1.224
  414   2HE2  GLN  44          HE22      GLN  44   2.393   8.346  -0.297
  415    H    VAL  45           HN       VAL  45  -1.423   3.927   2.075
  416    HA   VAL  45           HA       VAL  45  -2.507   1.598   1.360
  417    HB   VAL  45           HB       VAL  45  -4.401   2.063   2.903
  418   1HG1  VAL  45          HG11      VAL  45  -2.980   1.568   4.543
  419   2HG1  VAL  45          HG12      VAL  45  -2.243   3.168   4.461
  420   3HG1  VAL  45          HG13      VAL  45  -1.669   1.878   3.406
  421   1HG2  VAL  45          HG21      VAL  45  -4.957   4.306   2.587
  422   2HG2  VAL  45          HG22      VAL  45  -3.278   4.834   2.681
  423   3HG2  VAL  45          HG23      VAL  45  -4.122   4.315   4.140
  424    H    ARG  46           HN       ARG  46  -3.786   4.729   0.360
  425    HA   ARG  46           HA       ARG  46  -6.128   3.544  -0.825
  426   1HB   ARG  46           HB2      ARG  46  -6.358   5.933  -1.779
  427   2HB   ARG  46           HB1      ARG  46  -6.594   5.679  -0.062
  428   1HG   ARG  46           HG2      ARG  46  -4.935   7.055   0.452
  429   2HG   ARG  46           HG1      ARG  46  -3.837   6.266  -0.678
  430   1HD   ARG  46           HD2      ARG  46  -4.328   8.715  -1.103
  431   2HD   ARG  46           HD1      ARG  46  -4.540   7.621  -2.470
  432    HE   ARG  46           HE       ARG  46  -6.983   7.923  -1.092
  433   1HH1  ARG  46          HH11      ARG  46  -4.827   9.675  -3.201
  434   2HH1  ARG  46          HH12      ARG  46  -6.083  10.661  -3.872
  435   1HH2  ARG  46          HH21      ARG  46  -8.636   9.216  -1.971
  436   2HH2  ARG  46          HH22      ARG  46  -8.246  10.401  -3.174
  437    H    VAL  47           HN       VAL  47  -3.312   5.335  -2.135
  438    HA   VAL  47           HA       VAL  47  -3.905   4.638  -4.838
  439    HB   VAL  47           HB       VAL  47  -1.746   5.596  -5.386
  440   1HG1  VAL  47          HG11      VAL  47  -2.282   7.758  -4.876
  441   2HG1  VAL  47          HG12      VAL  47  -2.667   7.383  -3.196
  442   3HG1  VAL  47          HG13      VAL  47  -3.808   6.969  -4.476
  443   1HG2  VAL  47          HG21      VAL  47  -0.306   6.450  -3.476
  444   2HG2  VAL  47          HG22      VAL  47  -0.309   4.705  -3.729
  445   3HG2  VAL  47          HG23      VAL  47  -1.261   5.408  -2.422
  446    H    TRP  48           HN       TRP  48  -1.617   3.452  -2.440
  447    HA   TRP  48           HA       TRP  48  -0.264   1.619  -4.054
  448   1HB   TRP  48           HB2      TRP  48  -0.180   2.483  -1.388
  449   2HB   TRP  48           HB1      TRP  48  -0.418   0.746  -1.301
  450    HD1  TRP  48           HD1      TRP  48   2.068   3.381  -2.554
  451    HE1  TRP  48           HE1      TRP  48   4.358   2.262  -2.899
  452    HE3  TRP  48           HE3      TRP  48   0.727  -1.487  -1.755
  453    HZ2  TRP  48           HZ2      TRP  48   5.454  -0.337  -2.842
  454    HZ3  TRP  48           HZ3      TRP  48   2.458  -3.227  -1.923
  455    HH2  TRP  48           HH2      TRP  48   4.769  -2.664  -2.455
  456    H    PHE  49           HN       PHE  49  -2.936   1.024  -1.723
  457    HA   PHE  49           HA       PHE  49  -3.262  -1.686  -2.418
  458   1HB   PHE  49           HB2      PHE  49  -5.286   0.250  -1.277
  459   2HB   PHE  49           HB1      PHE  49  -5.506  -1.489  -1.372
  460    HD1  PHE  49           HD1      PHE  49  -2.267  -1.586  -0.688
  461    HD2  PHE  49           HD2      PHE  49  -5.829  -0.160   1.155
  462    HE1  PHE  49           HE1      PHE  49  -1.223  -1.840   1.526
  463    HE2  PHE  49           HE2      PHE  49  -4.790  -0.408   3.367
  464    HZ   PHE  49           HZ       PHE  49  -2.487  -1.250   3.557
  465    H    ILE  50           HN       ILE  50  -4.222   1.239  -3.995
  466    HA   ILE  50           HA       ILE  50  -6.416   0.235  -5.459
  467    HB   ILE  50           HB       ILE  50  -4.646   2.603  -5.678
  468   1HG1  ILE  50          HG12      ILE  50  -6.798   2.566  -4.429
  469   2HG1  ILE  50          HG11      ILE  50  -6.758   3.781  -5.702
  470   1HG2  ILE  50          HG21      ILE  50  -5.779   3.215  -7.867
  471   2HG2  ILE  50          HG22      ILE  50  -6.174   1.503  -8.021
  472   3HG2  ILE  50          HG23      ILE  50  -4.488   2.017  -7.954
  473   1HD1  ILE  50          HD11      ILE  50  -8.740   2.957  -6.285
  474   2HD1  ILE  50          HD12      ILE  50  -8.498   1.474  -5.363
  475   3HD1  ILE  50          HD13      ILE  50  -7.830   1.621  -6.988
  476    H    ASN  51           HN       ASN  51  -2.980   0.586  -6.343
  477    HA   ASN  51           HA       ASN  51  -3.336  -0.894  -8.788
  478   1HB   ASN  51           HB2      ASN  51  -0.730  -0.135  -7.464
  479   2HB   ASN  51           HB1      ASN  51  -0.995  -0.528  -9.160
  480   1HD2  ASN  51          HD21      ASN  51  -2.300   0.938 -10.416
  481   2HD2  ASN  51          HD22      ASN  51  -2.313   2.625 -10.015
  482    H    LYS  52           HN       LYS  52  -2.146  -1.539  -5.547
  483    HA   LYS  52           HA       LYS  52  -1.142  -4.156  -6.218
  484   1HB   LYS  52           HB2      LYS  52  -1.295  -2.472  -3.784
  485   2HB   LYS  52           HB1      LYS  52  -1.274  -4.210  -3.522
  486   1HG   LYS  52           HG2      LYS  52   0.958  -3.102  -3.454
  487   2HG   LYS  52           HG1      LYS  52   0.829  -4.432  -4.601
  488   1HD   LYS  52           HD2      LYS  52   0.625  -2.901  -6.440
  489   2HD   LYS  52           HD1      LYS  52   0.526  -1.524  -5.339
  490   1HE   LYS  52           HE2      LYS  52   2.740  -1.339  -5.332
  491   2HE   LYS  52           HE1      LYS  52   2.902  -2.999  -4.756
  492   1HZ   LYS  52           HZ1      LYS  52   3.951  -3.256  -6.711
  493   2HZ   LYS  52           HZ2      LYS  52   3.194  -1.930  -7.439
  494   3HZ   LYS  52           HZ3      LYS  52   2.385  -3.413  -7.334
  495    H    ARG  53           HN       ARG  53  -4.139  -2.802  -5.107
  496    HA   ARG  53           HA       ARG  53  -5.283  -5.508  -5.043
  497   1HB   ARG  53           HB2      ARG  53  -4.954  -4.627  -2.721
  498   2HB   ARG  53           HB1      ARG  53  -6.042  -3.307  -3.120
  499   1HG   ARG  53           HG2      ARG  53  -7.409  -5.630  -3.848
  500   2HG   ARG  53           HG1      ARG  53  -6.667  -5.984  -2.289
  501   1HD   ARG  53           HD2      ARG  53  -8.562  -3.758  -2.991
  502   2HD   ARG  53           HD1      ARG  53  -8.796  -5.060  -1.824
  503    HE   ARG  53           HE       ARG  53  -6.658  -3.780  -0.825
  504   1HH1  ARG  53          HH11      ARG  53  -9.763  -2.623  -1.930
  505   2HH1  ARG  53          HH12      ARG  53  -9.787  -1.278  -0.841
  506   1HH2  ARG  53          HH21      ARG  53  -6.696  -2.014   0.610
  507   2HH2  ARG  53          HH22      ARG  53  -8.047  -0.931   0.600
  508    H    MET  54           HN       MET  54  -5.314  -3.599  -7.210
  509    HA   MET  54           HA       MET  54  -7.622  -2.062  -7.374
  510   1HB   MET  54           HB2      MET  54  -5.576  -2.600  -9.069
  511   2HB   MET  54           HB1      MET  54  -6.867  -3.515  -9.836
  512   1HG   MET  54           HG2      MET  54  -8.182  -1.246  -9.469
  513   2HG   MET  54           HG1      MET  54  -6.547  -0.589  -9.501
  514   1HE   MET  54           HE1      MET  54  -5.068  -1.382 -12.707
  515   2HE   MET  54           HE2      MET  54  -5.494  -3.037 -12.269
  516   3HE   MET  54           HE3      MET  54  -4.912  -1.920 -11.034
  517    H    ARG  55           HN       ARG  55  -9.273  -3.224  -6.292
  518    HA   ARG  55           HA       ARG  55 -10.174  -5.766  -7.212
  519   1HB   ARG  55           HB2      ARG  55 -11.485  -3.705  -5.432
  520   2HB   ARG  55           HB1      ARG  55 -12.143  -5.308  -5.736
  521   1HG   ARG  55           HG2      ARG  55  -9.356  -5.289  -4.830
  522   2HG   ARG  55           HG1      ARG  55 -10.518  -4.657  -3.663
  523   1HD   ARG  55           HD2      ARG  55 -10.072  -7.117  -3.493
  524   2HD   ARG  55           HD1      ARG  55 -11.768  -6.680  -3.689
  525    HE   ARG  55           HE       ARG  55 -11.095  -7.145  -6.209
  526   1HH1  ARG  55          HH11      ARG  55 -10.368  -8.988  -3.332
  527   2HH1  ARG  55          HH12      ARG  55 -10.286 -10.498  -4.173
  528   1HH2  ARG  55          HH21      ARG  55 -10.988  -9.131  -7.311
  529   2HH2  ARG  55          HH22      ARG  55 -10.638 -10.580  -6.430
  530    H    SER  56           HN       SER  56 -11.358  -2.441  -7.597
  531    HA   SER  56           HA       SER  56 -12.742  -3.281 -10.035
  532   1HB   SER  56           HB2      SER  56 -14.044  -2.507  -7.573
  533   2HB   SER  56           HB1      SER  56 -14.447  -1.376  -8.864
  534    HG   SER  56           HG       SER  56 -15.772  -3.376  -8.613
  535    H    LYS  57           HN       LYS  57 -13.915  -0.959 -10.776
  536    HA   LYS  57           HA       LYS  57 -11.624   0.661 -11.463
  537   1HB   LYS  57           HB2      LYS  57 -14.502   1.179 -12.205
  538   2HB   LYS  57           HB1      LYS  57 -13.057   1.753 -13.027
  539   1HG   LYS  57           HG2      LYS  57 -12.791  -0.999 -13.073
  540   2HG   LYS  57           HG1      LYS  57 -14.513  -0.730 -13.345
  541   1HD   LYS  57           HD2      LYS  57 -14.175   0.314 -15.341
  542   2HD   LYS  57           HD1      LYS  57 -12.615   0.978 -14.853
  543   1HE   LYS  57           HE2      LYS  57 -12.858  -1.968 -15.177
  544   2HE   LYS  57           HE1      LYS  57 -12.805  -0.972 -16.630
  545   1HZ   LYS  57           HZ1      LYS  57 -10.800  -0.453 -14.570
  546   2HZ   LYS  57           HZ2      LYS  57 -10.665  -0.371 -16.254
  547   3HZ   LYS  57           HZ3      LYS  57 -10.630  -1.873 -15.475
  Start of MODEL    7
    1   1H    LYS  -3           HT1      LYS  -3  13.731   3.040  19.975
    2   2H    LYS  -3           HT2      LYS  -3  13.633   1.671  21.007
    3   3H    LYS  -3           HT3      LYS  -3  12.281   2.129  20.053
    4    HA   LYS  -3           HA       LYS  -3  14.861   1.400  18.871
    5   1HB   LYS  -3           HB2      LYS  -3  13.942  -0.869  18.602
    6   2HB   LYS  -3           HB1      LYS  -3  14.134  -0.443  20.298
    7   1HG   LYS  -3           HG2      LYS  -3  11.768  -0.019  20.503
    8   2HG   LYS  -3           HG1      LYS  -3  11.539  -0.303  18.777
    9   1HD   LYS  -3           HD2      LYS  -3  12.810  -2.592  19.582
   10   2HD   LYS  -3           HD1      LYS  -3  11.803  -2.210  20.981
   11   1HE   LYS  -3           HE2      LYS  -3   9.882  -2.637  19.879
   12   2HE   LYS  -3           HE1      LYS  -3  10.480  -1.961  18.365
   13   1HZ   LYS  -3           HZ1      LYS  -3  10.391  -4.150  17.814
   14   2HZ   LYS  -3           HZ2      LYS  -3  10.686  -4.693  19.390
   15   3HZ   LYS  -3           HZ3      LYS  -3  11.962  -4.113  18.444
   16    H    LYS  -2           HN       LYS  -2  13.057   3.489  18.141
   17    HA   LYS  -2           HA       LYS  -2  11.515   2.418  15.908
   18   1HB   LYS  -2           HB2      LYS  -2  11.589   4.990  17.394
   19   2HB   LYS  -2           HB1      LYS  -2  11.109   5.056  15.704
   20   1HG   LYS  -2           HG2      LYS  -2   9.082   4.294  16.176
   21   2HG   LYS  -2           HG1      LYS  -2   9.741   2.920  17.063
   22   1HD   LYS  -2           HD2      LYS  -2   8.321   4.291  18.500
   23   2HD   LYS  -2           HD1      LYS  -2   9.997   4.324  19.051
   24   1HE   LYS  -2           HE2      LYS  -2   9.975   6.450  17.379
   25   2HE   LYS  -2           HE1      LYS  -2   8.312   6.480  17.963
   26   1HZ   LYS  -2           HZ1      LYS  -2   9.424   6.237  20.263
   27   2HZ   LYS  -2           HZ2      LYS  -2   9.418   7.752  19.512
   28   3HZ   LYS  -2           HZ3      LYS  -2  10.815   6.800  19.481
   29    H    GLU  -1           HN       GLU  -1  12.262   2.366  13.896
   30    HA   GLU  -1           HA       GLU  -1  14.819   3.613  13.300
   31   1HB   GLU  -1           HB2      GLU  -1  13.149   1.482  12.075
   32   2HB   GLU  -1           HB1      GLU  -1  14.208   2.387  11.002
   33   1HG   GLU  -1           HG2      GLU  -1  16.049   1.853  12.716
   34   2HG   GLU  -1           HG1      GLU  -1  14.927   0.630  13.312
   35    H    LYS   0           HN       LYS   0  11.830   4.803  13.334
   36    HA   LYS   0           HA       LYS   0  10.796   6.567  12.346
   37   1HB   LYS   0           HB2      LYS   0  13.640   6.936  11.614
   38   2HB   LYS   0           HB1      LYS   0  12.474   7.831  10.650
   39   1HG   LYS   0           HG2      LYS   0  11.515   8.542  12.962
   40   2HG   LYS   0           HG1      LYS   0  13.108   8.067  13.554
   41   1HD   LYS   0           HD2      LYS   0  14.184   9.746  12.407
   42   2HD   LYS   0           HD1      LYS   0  12.930   9.849  11.171
   43   1HE   LYS   0           HE2      LYS   0  12.003  11.551  12.252
   44   2HE   LYS   0           HE1      LYS   0  11.748  10.520  13.659
   45   1HZ   LYS   0           HZ1      LYS   0  14.300  11.928  13.116
   46   2HZ   LYS   0           HZ2      LYS   0  13.839  11.144  14.542
   47   3HZ   LYS   0           HZ3      LYS   0  13.069  12.576  14.078
   48    H    SER   1           HN       SER   1   9.422   6.764  10.669
   49    HA   SER   1           HA       SER   1   9.285   4.756   8.714
   50   1HB   SER   1           HB2      SER   1   7.214   5.690   9.141
   51   2HB   SER   1           HB1      SER   1   7.848   7.333   9.195
   52    HG   SER   1           HG       SER   1   7.346   7.512   7.172
   53    HA   PRO   2           HA       PRO   2  10.802   7.986   5.473
   54   1HB   PRO   2           HB2      PRO   2  11.770  10.356   6.373
   55   2HB   PRO   2           HB1      PRO   2  10.063  10.102   5.989
   56   1HG   PRO   2           HG2      PRO   2  11.431  10.053   8.653
   57   2HG   PRO   2           HG1      PRO   2   9.893  10.810   8.201
   58   1HD   PRO   2           HD2      PRO   2  10.011   8.430   9.472
   59   2HD   PRO   2           HD1      PRO   2   8.738   8.816   8.297
   60    H    LYS   3           HN       LYS   3  12.793   7.752   4.608
   61    HA   LYS   3           HA       LYS   3  15.213   8.208   6.018
   62   1HB   LYS   3           HB2      LYS   3  14.575   6.099   7.109
   63   2HB   LYS   3           HB1      LYS   3  14.464   5.319   5.537
   64   1HG   LYS   3           HG2      LYS   3  17.008   6.409   5.565
   65   2HG   LYS   3           HG1      LYS   3  16.776   5.805   7.206
   66   1HD   LYS   3           HD2      LYS   3  16.304   4.200   4.695
   67   2HD   LYS   3           HD1      LYS   3  17.769   4.127   5.676
   68   1HE   LYS   3           HE2      LYS   3  16.081   3.634   7.615
   69   2HE   LYS   3           HE1      LYS   3  15.014   3.157   6.295
   70   1HZ   LYS   3           HZ1      LYS   3  16.660   1.468   7.442
   71   2HZ   LYS   3           HZ2      LYS   3  17.731   2.083   6.286
   72   3HZ   LYS   3           HZ3      LYS   3  16.283   1.362   5.796
   73    H    GLY   4           HN       GLY   4  13.698   6.367   3.389
   74   1HA   GLY   4           HA2      GLY   4  15.707   7.509   1.566
   75   2HA   GLY   4           HA1      GLY   4  15.407   5.779   1.547
   76    H    LYS   5           HN       LYS   5  15.067   7.740  -0.590
   77    HA   LYS   5           HA       LYS   5  12.155   7.622  -0.979
   78   1HB   LYS   5           HB2      LYS   5  12.439   9.372  -2.648
   79   2HB   LYS   5           HB1      LYS   5  13.147   9.867  -1.117
   80   1HG   LYS   5           HG2      LYS   5  15.372   9.138  -2.026
   81   2HG   LYS   5           HG1      LYS   5  14.580   8.944  -3.592
   82   1HD   LYS   5           HD2      LYS   5  13.818  11.348  -3.350
   83   2HD   LYS   5           HD1      LYS   5  14.934  11.467  -1.987
   84   1HE   LYS   5           HE2      LYS   5  15.565  10.948  -4.880
   85   2HE   LYS   5           HE1      LYS   5  16.113  12.279  -3.863
   86   1HZ   LYS   5           HZ1      LYS   5  17.041  10.129  -2.538
   87   2HZ   LYS   5           HZ2      LYS   5  17.944  11.041  -3.639
   88   3HZ   LYS   5           HZ3      LYS   5  17.184   9.616  -4.144
   89    H    SER   6           HN       SER   6  11.748   7.639  -3.555
   90    HA   SER   6           HA       SER   6  11.664   6.369  -5.438
   91   1HB   SER   6           HB2      SER   6  13.895   7.131  -5.904
   92   2HB   SER   6           HB1      SER   6  14.585   5.983  -4.757
   93    HG   SER   6           HG       SER   6  14.459   4.459  -6.210
   94    H    SER   7           HN       SER   7  10.222   4.825  -4.746
   95    HA   SER   7           HA       SER   7   9.440   2.761  -4.197
   96   1HB   SER   7           HB2      SER   7  11.388   2.306  -5.975
   97   2HB   SER   7           HB1      SER   7  12.096   1.476  -4.590
   98    HG   SER   7           HG       SER   7  10.841  -0.095  -5.208
   99    H    ILE   8           HN       ILE   8  10.278   0.622  -2.876
  100    HA   ILE   8           HA       ILE   8  11.625   1.571  -0.447
  101    HB   ILE   8           HB       ILE   8   8.996   1.484  -0.365
  102   1HG1  ILE   8          HG12      ILE   8  10.474   0.138   1.886
  103   2HG1  ILE   8          HG11      ILE   8  10.717   1.841   1.507
  104   1HG2  ILE   8          HG21      ILE   8   8.876  -0.847  -1.206
  105   2HG2  ILE   8          HG22      ILE   8   8.070  -0.617   0.345
  106   3HG2  ILE   8          HG23      ILE   8   9.656  -1.386   0.281
  107   1HD1  ILE   8          HD11      ILE   8   8.345   2.261   1.883
  108   2HD1  ILE   8          HD12      ILE   8   9.113   1.552   3.304
  109   3HD1  ILE   8          HD13      ILE   8   8.103   0.554   2.258
  110    H    SER   9           HN       SER   9  12.168  -0.302   1.030
  111    HA   SER   9           HA       SER   9  13.822  -2.135  -0.248
  112   1HB   SER   9           HB2      SER   9  12.880  -3.191   2.275
  113   2HB   SER   9           HB1      SER   9  14.460  -2.516   1.877
  114    HG   SER   9           HG       SER   9  12.879  -1.460   3.517
  115    HA   PRO  10           HA       PRO  10  11.561  -5.806  -1.385
  116   1HB   PRO  10           HB2      PRO  10  11.780  -7.599   0.756
  117   2HB   PRO  10           HB1      PRO  10  12.891  -7.481  -0.612
  118   1HG   PRO  10           HG2      PRO  10  13.116  -6.312   2.123
  119   2HG   PRO  10           HG1      PRO  10  14.382  -6.999   1.088
  120   1HD   PRO  10           HD2      PRO  10  14.144  -4.367   1.375
  121   2HD   PRO  10           HD1      PRO  10  14.535  -5.062  -0.211
  122    H    GLN  11           HN       GLN  11  11.046  -4.504   1.790
  123    HA   GLN  11           HA       GLN  11   8.721  -5.676   2.647
  124   1HB   GLN  11           HB2      GLN  11   9.578  -2.786   2.802
  125   2HB   GLN  11           HB1      GLN  11   8.216  -3.445   3.697
  126   1HG   GLN  11           HG2      GLN  11   9.703  -4.960   4.876
  127   2HG   GLN  11           HG1      GLN  11  11.074  -4.358   3.946
  128   1HE2  GLN  11          HE21      GLN  11  10.446  -1.640   3.961
  129   2HE2  GLN  11          HE22      GLN  11  10.618  -1.041   5.576
  130    H    ALA  12           HN       ALA  12   9.167  -3.531  -0.066
  131    HA   ALA  12           HA       ALA  12   6.712  -2.409  -0.455
  132   1HB   ALA  12           HB1      ALA  12   7.804  -3.732  -2.856
  133   2HB   ALA  12           HB2      ALA  12   8.911  -2.662  -1.997
  134   3HB   ALA  12           HB3      ALA  12   7.370  -2.043  -2.588
  135    H    ARG  13           HN       ARG  13   7.678  -5.650  -1.534
  136    HA   ARG  13           HA       ARG  13   4.949  -6.409  -2.102
  137   1HB   ARG  13           HB2      ARG  13   5.855  -8.475  -2.895
  138   2HB   ARG  13           HB1      ARG  13   6.914  -7.189  -3.456
  139   1HG   ARG  13           HG2      ARG  13   8.186  -7.789  -1.201
  140   2HG   ARG  13           HG1      ARG  13   7.421  -9.350  -1.499
  141   1HD   ARG  13           HD2      ARG  13   8.618  -8.203  -3.890
  142   2HD   ARG  13           HD1      ARG  13   9.789  -8.446  -2.595
  143    HE   ARG  13           HE       ARG  13   8.236 -10.764  -2.840
  144   1HH1  ARG  13          HH11      ARG  13  10.635  -8.976  -4.637
  145   2HH1  ARG  13          HH12      ARG  13  11.251 -10.374  -5.449
  146   1HH2  ARG  13          HH21      ARG  13   9.045 -12.605  -3.910
  147   2HH2  ARG  13          HH22      ARG  13  10.349 -12.435  -5.037
  148    H    ALA  14           HN       ALA  14   7.378  -7.026   0.378
  149    HA   ALA  14           HA       ALA  14   6.024  -9.097   1.730
  150   1HB   ALA  14           HB1      ALA  14   8.477  -8.071   1.941
  151   2HB   ALA  14           HB2      ALA  14   7.726  -9.022   3.223
  152   3HB   ALA  14           HB3      ALA  14   7.718  -7.259   3.310
  153    H    PHE  15           HN       PHE  15   6.244  -5.630   2.520
  154    HA   PHE  15           HA       PHE  15   4.509  -5.652   4.680
  155   1HB   PHE  15           HB2      PHE  15   4.745  -3.392   4.695
  156   2HB   PHE  15           HB1      PHE  15   6.036  -3.748   3.561
  157    HD1  PHE  15           HD1      PHE  15   6.116  -2.546   1.597
  158    HD2  PHE  15           HD2      PHE  15   2.377  -2.996   3.578
  159    HE1  PHE  15           HE1      PHE  15   5.066  -1.056  -0.052
  160    HE2  PHE  15           HE2      PHE  15   1.320  -1.509   1.928
  161    HZ   PHE  15           HZ       PHE  15   2.665  -0.538   0.110
  162    H    LEU  16           HN       LEU  16   3.787  -4.961   1.263
  163    HA   LEU  16           HA       LEU  16   0.990  -4.735   1.673
  164   1HB   LEU  16           HB2      LEU  16   1.997  -3.802  -0.312
  165   2HB   LEU  16           HB1      LEU  16   2.580  -5.381  -0.810
  166    HG   LEU  16           HG       LEU  16  -0.116  -5.821  -0.625
  167   1HD1  LEU  16          HD11      LEU  16  -1.369  -4.024  -1.110
  168   2HD1  LEU  16          HD12      LEU  16  -0.137  -3.314  -2.150
  169   3HD1  LEU  16          HD13      LEU  16  -0.021  -3.133  -0.401
  170   1HD2  LEU  16          HD21      LEU  16  -0.104  -5.816  -3.043
  171   2HD2  LEU  16          HD22      LEU  16   1.404  -6.501  -2.439
  172   3HD2  LEU  16          HD23      LEU  16   1.373  -4.853  -3.062
  173    H    GLU  17           HN       GLU  17   3.156  -7.410   1.033
  174    HA   GLU  17           HA       GLU  17   1.390  -9.385   0.247
  175   1HB   GLU  17           HB2      GLU  17   4.027  -9.303   1.513
  176   2HB   GLU  17           HB1      GLU  17   3.096 -10.727   1.958
  177   1HG   GLU  17           HG2      GLU  17   3.190 -10.008  -0.910
  178   2HG   GLU  17           HG1      GLU  17   4.662 -10.646  -0.179
  179    H    GLN  18           HN       GLN  18   2.492  -8.896   3.590
  180    HA   GLN  18           HA       GLN  18   0.520 -10.522   4.748
  181   1HB   GLN  18           HB2      GLN  18   1.100  -9.060   6.844
  182   2HB   GLN  18           HB1      GLN  18   2.288 -10.168   6.175
  183   1HG   GLN  18           HG2      GLN  18   3.706  -8.528   5.719
  184   2HG   GLN  18           HG1      GLN  18   2.455  -7.554   4.954
  185   1HE2  GLN  18          HE21      GLN  18   2.782  -5.603   5.821
  186   2HE2  GLN  18          HE22      GLN  18   2.764  -5.256   7.519
  187    H    VAL  19           HN       VAL  19   0.565  -7.081   3.966
  188    HA   VAL  19           HA       VAL  19  -1.736  -6.298   5.371
  189    HB   VAL  19           HB       VAL  19  -0.678  -5.244   2.737
  190   1HG1  VAL  19          HG11      VAL  19  -2.902  -4.322   4.504
  191   2HG1  VAL  19          HG12      VAL  19  -2.818  -4.388   2.743
  192   3HG1  VAL  19          HG13      VAL  19  -1.940  -3.136   3.621
  193   1HG2  VAL  19          HG21      VAL  19  -0.376  -3.624   5.150
  194   2HG2  VAL  19          HG22      VAL  19   0.788  -4.008   3.885
  195   3HG2  VAL  19          HG23      VAL  19   0.507  -5.149   5.199
  196    H    PHE  20           HN       PHE  20  -1.543  -6.922   1.861
  197    HA   PHE  20           HA       PHE  20  -4.302  -7.181   1.464
  198   1HB   PHE  20           HB2      PHE  20  -2.746  -6.784  -0.371
  199   2HB   PHE  20           HB1      PHE  20  -1.994  -8.352  -0.108
  200    HD1  PHE  20           HD1      PHE  20  -4.897  -6.592  -1.457
  201    HD2  PHE  20           HD2      PHE  20  -3.086 -10.390  -0.815
  202    HE1  PHE  20           HE1      PHE  20  -6.465  -7.609  -3.060
  203    HE2  PHE  20           HE2      PHE  20  -4.651 -11.411  -2.415
  204    HZ   PHE  20           HZ       PHE  20  -6.342 -10.020  -3.540
  205    H    ARG  21           HN       ARG  21  -2.052  -9.340   2.895
  206    HA   ARG  21           HA       ARG  21  -3.441 -11.776   2.314
  207   1HB   ARG  21           HB2      ARG  21  -0.958 -11.115   3.372
  208   2HB   ARG  21           HB1      ARG  21  -1.815 -11.815   4.730
  209   1HG   ARG  21           HG2      ARG  21  -0.795 -13.654   3.797
  210   2HG   ARG  21           HG1      ARG  21  -2.396 -13.711   3.056
  211   1HD   ARG  21           HD2      ARG  21  -1.511 -12.590   1.068
  212   2HD   ARG  21           HD1      ARG  21   0.086 -12.535   1.809
  213    HE   ARG  21           HE       ARG  21  -1.193 -14.815   0.587
  214   1HH1  ARG  21          HH11      ARG  21   1.301 -13.736   2.779
  215   2HH1  ARG  21          HH12      ARG  21   2.261 -15.165   2.586
  216   1HH2  ARG  21          HH21      ARG  21   0.068 -16.692   0.333
  217   2HH2  ARG  21          HH22      ARG  21   1.561 -16.843   1.197
  218    H    ARG  22           HN       ARG  22  -3.361  -9.485   4.991
  219    HA   ARG  22           HA       ARG  22  -4.879 -10.932   6.844
  220   1HB   ARG  22           HB2      ARG  22  -4.361  -8.019   6.387
  221   2HB   ARG  22           HB1      ARG  22  -5.540  -8.511   7.593
  222   1HG   ARG  22           HG2      ARG  22  -3.840  -9.802   8.758
  223   2HG   ARG  22           HG1      ARG  22  -2.650  -9.353   7.534
  224   1HD   ARG  22           HD2      ARG  22  -2.597  -8.015   9.675
  225   2HD   ARG  22           HD1      ARG  22  -2.697  -7.082   8.183
  226    HE   ARG  22           HE       ARG  22  -5.257  -7.642   9.357
  227   1HH1  ARG  22          HH11      ARG  22  -2.523  -5.473   9.379
  228   2HH1  ARG  22          HH12      ARG  22  -3.430  -4.137  10.004
  229   1HH2  ARG  22          HH21      ARG  22  -6.450  -5.885  10.181
  230   2HH2  ARG  22          HH22      ARG  22  -5.656  -4.370  10.463
  231    H    LYS  23           HN       LYS  23  -5.838  -8.790   4.226
  232    HA   LYS  23           HA       LYS  23  -8.356 -10.050   3.911
  233   1HB   LYS  23           HB2      LYS  23  -9.852  -8.313   4.595
  234   2HB   LYS  23           HB1      LYS  23  -8.810  -8.690   5.959
  235   1HG   LYS  23           HG2      LYS  23  -7.590  -6.702   5.716
  236   2HG   LYS  23           HG1      LYS  23  -8.223  -6.414   4.098
  237   1HD   LYS  23           HD2      LYS  23  -9.628  -6.117   6.738
  238   2HD   LYS  23           HD1      LYS  23  -9.359  -4.902   5.490
  239   1HE   LYS  23           HE2      LYS  23 -10.845  -6.263   3.988
  240   2HE   LYS  23           HE1      LYS  23 -11.245  -7.246   5.394
  241   1HZ   LYS  23           HZ1      LYS  23 -11.819  -4.372   4.968
  242   2HZ   LYS  23           HZ2      LYS  23 -11.942  -5.109   6.485
  243   3HZ   LYS  23           HZ3      LYS  23 -12.924  -5.630   5.210
  244    H    GLN  24           HN       GLN  24  -9.525  -7.382   2.916
  245    HA   GLN  24           HA       GLN  24  -7.715  -6.844   0.694
  246   1HB   GLN  24           HB2      GLN  24 -10.578  -7.383   0.022
  247   2HB   GLN  24           HB1      GLN  24  -9.163  -7.450  -1.015
  248   1HG   GLN  24           HG2      GLN  24  -9.433  -9.431   1.196
  249   2HG   GLN  24           HG1      GLN  24 -10.397  -9.626  -0.264
  250   1HE2  GLN  24          HE21      GLN  24  -7.628 -10.541   1.175
  251   2HE2  GLN  24          HE22      GLN  24  -6.671 -10.917  -0.219
  252    H    SER  25           HN       SER  25 -10.924  -6.165   2.029
  253    HA   SER  25           HA       SER  25 -10.898  -3.494   0.928
  254   1HB   SER  25           HB2      SER  25 -12.965  -4.858   0.990
  255   2HB   SER  25           HB1      SER  25 -12.933  -4.785   2.752
  256    HG   SER  25           HG       SER  25 -13.434  -2.682   2.695
  257    H    LEU  26           HN       LEU  26  -8.943  -2.846   2.184
  258    HA   LEU  26           HA       LEU  26  -9.184  -2.475   5.015
  259   1HB   LEU  26           HB2      LEU  26  -7.309  -1.002   3.164
  260   2HB   LEU  26           HB1      LEU  26  -7.123  -1.246   4.887
  261    HG   LEU  26           HG       LEU  26  -6.497  -3.072   2.633
  262   1HD1  LEU  26          HD11      LEU  26  -5.120  -1.768   4.713
  263   2HD1  LEU  26          HD12      LEU  26  -4.469  -2.879   3.508
  264   3HD1  LEU  26          HD13      LEU  26  -5.037  -3.496   5.059
  265   1HD2  LEU  26          HD21      LEU  26  -7.571  -4.017   5.279
  266   2HD2  LEU  26          HD22      LEU  26  -6.529  -5.007   4.257
  267   3HD2  LEU  26          HD23      LEU  26  -8.098  -4.471   3.658
  268    H    ASN  27           HN       ASN  27 -10.127  -0.811   6.086
  269    HA   ASN  27           HA       ASN  27 -11.307   1.319   4.464
  270   1HB   ASN  27           HB2      ASN  27 -12.034   1.555   7.228
  271   2HB   ASN  27           HB1      ASN  27 -13.057   1.176   5.851
  272   1HD2  ASN  27          HD21      ASN  27 -11.343  -0.051   8.569
  273   2HD2  ASN  27          HD22      ASN  27 -11.925  -1.681   8.475
  274    H    SER  28           HN       SER  28 -11.519   3.459   5.934
  275    HA   SER  28           HA       SER  28  -9.057   4.716   5.884
  276   1HB   SER  28           HB2      SER  28 -11.628   5.332   7.317
  277   2HB   SER  28           HB1      SER  28 -10.207   6.354   7.553
  278    HG   SER  28           HG       SER  28 -11.661   5.864   5.183
  279    H    LYS  29           HN       LYS  29 -10.489   2.729   8.313
  280    HA   LYS  29           HA       LYS  29  -8.733   3.483  10.446
  281   1HB   LYS  29           HB2      LYS  29 -10.513   1.069  10.114
  282   2HB   LYS  29           HB1      LYS  29  -9.773   1.598  11.614
  283   1HG   LYS  29           HG2      LYS  29 -11.824   2.506  11.905
  284   2HG   LYS  29           HG1      LYS  29 -11.076   3.834  11.019
  285   1HD   LYS  29           HD2      LYS  29 -12.104   1.971   9.132
  286   2HD   LYS  29           HD1      LYS  29 -13.363   2.296  10.323
  287   1HE   LYS  29           HE2      LYS  29 -11.831   4.591   9.202
  288   2HE   LYS  29           HE1      LYS  29 -13.057   3.820   8.190
  289   1HZ   LYS  29           HZ1      LYS  29 -13.670   5.785   9.775
  290   2HZ   LYS  29           HZ2      LYS  29 -13.767   4.561  10.938
  291   3HZ   LYS  29           HZ3      LYS  29 -14.740   4.492   9.556
  292    H    GLU  30           HN       GLU  30  -9.065   0.647   8.337
  293    HA   GLU  30           HA       GLU  30  -6.731  -0.640   9.317
  294   1HB   GLU  30           HB2      GLU  30  -8.176  -1.073   6.694
  295   2HB   GLU  30           HB1      GLU  30  -7.025  -2.174   7.441
  296   1HG   GLU  30           HG2      GLU  30  -9.063  -1.630   9.334
  297   2HG   GLU  30           HG1      GLU  30  -9.837  -2.016   7.797
  298    H    LYS  31           HN       LYS  31  -7.474   1.447   6.587
  299    HA   LYS  31           HA       LYS  31  -5.042   1.228   5.231
  300   1HB   LYS  31           HB2      LYS  31  -5.841   2.911   3.914
  301   2HB   LYS  31           HB1      LYS  31  -7.333   2.453   4.701
  302   1HG   LYS  31           HG2      LYS  31  -7.135   4.279   6.257
  303   2HG   LYS  31           HG1      LYS  31  -5.550   4.699   5.594
  304   1HD   LYS  31           HD2      LYS  31  -6.509   5.315   3.502
  305   2HD   LYS  31           HD1      LYS  31  -8.089   4.688   3.976
  306   1HE   LYS  31           HE2      LYS  31  -8.586   6.753   4.644
  307   2HE   LYS  31           HE1      LYS  31  -7.450   6.508   5.970
  308   1HZ   LYS  31           HZ1      LYS  31  -5.698   7.310   4.339
  309   2HZ   LYS  31           HZ2      LYS  31  -6.770   8.472   4.940
  310   3HZ   LYS  31           HZ3      LYS  31  -6.981   7.855   3.379
  311    H    GLU  32           HN       GLU  32  -6.008   3.139   8.006
  312    HA   GLU  32           HA       GLU  32  -3.448   4.524   8.082
  313   1HB   GLU  32           HB2      GLU  32  -4.378   5.882   9.786
  314   2HB   GLU  32           HB1      GLU  32  -5.669   5.633   8.619
  315   1HG   GLU  32           HG2      GLU  32  -6.749   4.052  10.028
  316   2HG   GLU  32           HG1      GLU  32  -5.378   4.013  11.135
  317    H    GLU  33           HN       GLU  33  -5.240   2.066   9.834
  318    HA   GLU  33           HA       GLU  33  -3.357   1.766  11.956
  319   1HB   GLU  33           HB2      GLU  33  -5.607   0.032  10.934
  320   2HB   GLU  33           HB1      GLU  33  -4.651  -0.371  12.348
  321   1HG   GLU  33           HG2      GLU  33  -5.836   2.322  12.316
  322   2HG   GLU  33           HG1      GLU  33  -6.964   0.973  12.439
  323    H    VAL  34           HN       VAL  34  -3.889   0.271   8.845
  324    HA   VAL  34           HA       VAL  34  -1.926  -1.803   9.218
  325    HB   VAL  34           HB       VAL  34  -3.398  -0.880   6.737
  326   1HG1  VAL  34          HG11      VAL  34  -1.086  -2.183   6.579
  327   2HG1  VAL  34          HG12      VAL  34  -2.432  -2.520   5.493
  328   3HG1  VAL  34          HG13      VAL  34  -2.141  -3.562   6.885
  329   1HG2  VAL  34          HG21      VAL  34  -3.925  -3.522   7.920
  330   2HG2  VAL  34          HG22      VAL  34  -5.038  -2.341   7.228
  331   3HG2  VAL  34          HG23      VAL  34  -4.450  -2.139   8.879
  332    H    ALA  35           HN       ALA  35  -2.126   1.333   7.619
  333    HA   ALA  35           HA       ALA  35   0.338   1.215   6.269
  334   1HB   ALA  35           HB1      ALA  35   0.079   3.849   6.672
  335   2HB   ALA  35           HB2      ALA  35  -1.570   3.328   6.998
  336   3HB   ALA  35           HB3      ALA  35  -0.816   2.955   5.449
  337    H    LYS  36           HN       LYS  36  -0.489   2.081   9.563
  338    HA   LYS  36           HA       LYS  36   2.193   3.030  10.125
  339   1HB   LYS  36           HB2      LYS  36   1.369   3.627  12.286
  340   2HB   LYS  36           HB1      LYS  36   0.162   4.100  11.097
  341   1HG   LYS  36           HG2      LYS  36  -1.156   2.122  11.632
  342   2HG   LYS  36           HG1      LYS  36   0.058   1.628  12.814
  343   1HD   LYS  36           HD2      LYS  36  -0.485   4.201  13.577
  344   2HD   LYS  36           HD1      LYS  36  -2.062   3.636  13.019
  345   1HE   LYS  36           HE2      LYS  36  -0.349   2.078  14.941
  346   2HE   LYS  36           HE1      LYS  36  -1.538   3.269  15.468
  347   1HZ   LYS  36           HZ1      LYS  36  -3.269   2.001  14.402
  348   2HZ   LYS  36           HZ2      LYS  36  -2.419   0.999  15.467
  349   3HZ   LYS  36           HZ3      LYS  36  -2.145   0.886  13.802
  350    H    LYS  37           HN       LYS  37   0.464   0.059  10.347
  351    HA   LYS  37           HA       LYS  37   2.410  -1.007  12.265
  352   1HB   LYS  37           HB2      LYS  37   0.911  -2.821  12.643
  353   2HB   LYS  37           HB1      LYS  37  -0.041  -1.344  12.669
  354   1HG   LYS  37           HG2      LYS  37  -1.410  -2.316  11.223
  355   2HG   LYS  37           HG1      LYS  37  -0.127  -2.179  10.020
  356   1HD   LYS  37           HD2      LYS  37  -0.874  -4.459  10.084
  357   2HD   LYS  37           HD1      LYS  37   0.740  -4.383  10.792
  358   1HE   LYS  37           HE2      LYS  37  -0.971  -5.799  12.016
  359   2HE   LYS  37           HE1      LYS  37  -0.092  -4.614  12.980
  360   1HZ   LYS  37           HZ1      LYS  37  -1.937  -3.341  13.269
  361   2HZ   LYS  37           HZ2      LYS  37  -2.691  -4.848  13.125
  362   3HZ   LYS  37           HZ3      LYS  37  -2.642  -3.797  11.800
  363    H    CYS  38           HN       CYS  38   1.384  -1.265   8.949
  364    HA   CYS  38           HA       CYS  38   3.116  -3.576   8.520
  365   1HB   CYS  38           HB2      CYS  38   1.188  -2.174   6.662
  366   2HB   CYS  38           HB1      CYS  38   2.149  -3.586   6.231
  367    HG   CYS  38           HG       CYS  38   0.448  -5.005   7.258
  368    H    GLY  39           HN       GLY  39   2.947  -0.146   7.868
  369   1HA   GLY  39           HA2      GLY  39   5.145   0.932   7.622
  370   2HA   GLY  39           HA1      GLY  39   5.580  -0.377   6.538
  371    H    ILE  40           HN       ILE  40   2.423   1.111   6.380
  372    HA   ILE  40           HA       ILE  40   3.231   2.379   3.846
  373    HB   ILE  40           HB       ILE  40   0.356   2.047   4.138
  374   1HG1  ILE  40          HG12      ILE  40   1.938  -0.514   3.886
  375   2HG1  ILE  40          HG11      ILE  40   1.177  -0.004   5.387
  376   1HG2  ILE  40          HG21      ILE  40   2.036   2.437   2.106
  377   2HG2  ILE  40          HG22      ILE  40   0.447   1.698   1.904
  378   3HG2  ILE  40          HG23      ILE  40   1.885   0.684   2.006
  379   1HD1  ILE  40          HD11      ILE  40  -0.288  -0.451   2.801
  380   2HD1  ILE  40          HD12      ILE  40  -0.997  -0.102   4.378
  381   3HD1  ILE  40          HD13      ILE  40  -0.159  -1.630   4.106
  382    H    THR  41           HN       THR  41   0.846   3.902   3.521
  383    HA   THR  41           HA       THR  41   0.616   5.576   5.885
  384    HB   THR  41           HB       THR  41   1.111   7.299   3.613
  385    HG1  THR  41           HG1      THR  41   3.253   5.606   4.379
  386   1HG2  THR  41          HG21      THR  41   1.552   8.516   5.425
  387   2HG2  THR  41          HG22      THR  41   3.146   7.763   5.359
  388   3HG2  THR  41          HG23      THR  41   1.899   7.098   6.415
  389    HA   PRO  42           HA       PRO  42  -3.596   6.112   4.727
  390   1HB   PRO  42           HB2      PRO  42  -3.694   8.938   4.855
  391   2HB   PRO  42           HB1      PRO  42  -4.116   7.801   6.136
  392   1HG   PRO  42           HG2      PRO  42  -1.594   9.310   5.697
  393   2HG   PRO  42           HG1      PRO  42  -2.357   8.806   7.216
  394   1HD   PRO  42           HD2      PRO  42  -0.186   7.560   6.274
  395   2HD   PRO  42           HD1      PRO  42  -1.483   6.656   7.082
  396    H    LEU  43           HN       LEU  43  -1.120   8.014   3.147
  397    HA   LEU  43           HA       LEU  43  -2.813   8.684   0.894
  398   1HB   LEU  43           HB2      LEU  43  -0.969  10.161   1.817
  399   2HB   LEU  43           HB1      LEU  43   0.173   9.029   1.119
  400    HG   LEU  43           HG       LEU  43  -1.124   9.501  -1.100
  401   1HD1  LEU  43          HD11      LEU  43  -2.843  10.862   0.229
  402   2HD1  LEU  43          HD12      LEU  43  -2.238  11.539  -1.283
  403   3HD1  LEU  43          HD13      LEU  43  -1.613  12.125   0.258
  404   1HD2  LEU  43          HD21      LEU  43   0.591  10.878  -1.708
  405   2HD2  LEU  43          HD22      LEU  43   1.254  10.231  -0.208
  406   3HD2  LEU  43          HD23      LEU  43   0.503  11.827  -0.225
  407    H    GLN  44           HN       GLN  44  -0.455   6.285   1.781
  408    HA   GLN  44           HA       GLN  44  -0.097   5.318  -0.914
  409   1HB   GLN  44           HB2      GLN  44   0.656   3.749   1.519
  410   2HB   GLN  44           HB1      GLN  44   1.446   3.804  -0.048
  411   1HG   GLN  44           HG2      GLN  44   1.435   6.035   1.966
  412   2HG   GLN  44           HG1      GLN  44   2.754   4.891   1.719
  413   1HE2  GLN  44          HE21      GLN  44   1.901   7.927   1.136
  414   2HE2  GLN  44          HE22      GLN  44   2.717   8.215  -0.367
  415    H    VAL  45           HN       VAL  45  -1.428   3.956   2.073
  416    HA   VAL  45           HA       VAL  45  -2.508   1.632   1.338
  417    HB   VAL  45           HB       VAL  45  -4.419   2.088   2.864
  418   1HG1  VAL  45          HG11      VAL  45  -3.025   1.597   4.531
  419   2HG1  VAL  45          HG12      VAL  45  -2.238   3.171   4.424
  420   3HG1  VAL  45          HG13      VAL  45  -1.708   1.849   3.384
  421   1HG2  VAL  45          HG21      VAL  45  -4.913   4.366   2.494
  422   2HG2  VAL  45          HG22      VAL  45  -3.239   4.853   2.765
  423   3HG2  VAL  45          HG23      VAL  45  -4.227   4.298   4.117
  424    H    ARG  46           HN       ARG  46  -3.764   4.761   0.310
  425    HA   ARG  46           HA       ARG  46  -6.090   3.557  -0.898
  426   1HB   ARG  46           HB2      ARG  46  -6.290   5.961  -1.873
  427   2HB   ARG  46           HB1      ARG  46  -6.631   5.678  -0.180
  428   1HG   ARG  46           HG2      ARG  46  -4.933   6.958   0.497
  429   2HG   ARG  46           HG1      ARG  46  -3.844   6.350  -0.744
  430   1HD   ARG  46           HD2      ARG  46  -4.568   8.837  -0.800
  431   2HD   ARG  46           HD1      ARG  46  -4.527   7.916  -2.302
  432    HE   ARG  46           HE       ARG  46  -6.773   8.243  -2.486
  433   1HH1  ARG  46          HH11      ARG  46  -5.888   8.661   0.864
  434   2HH1  ARG  46          HH12      ARG  46  -7.475   9.149   1.351
  435   1HH2  ARG  46          HH21      ARG  46  -8.860   8.886  -1.847
  436   2HH2  ARG  46          HH22      ARG  46  -9.164   9.276  -0.187
  437    H    VAL  47           HN       VAL  47  -3.252   5.351  -2.146
  438    HA   VAL  47           HA       VAL  47  -3.798   4.686  -4.867
  439    HB   VAL  47           HB       VAL  47  -1.586   5.588  -5.350
  440   1HG1  VAL  47          HG11      VAL  47  -3.593   6.979  -3.766
  441   2HG1  VAL  47          HG12      VAL  47  -2.758   7.485  -5.235
  442   3HG1  VAL  47          HG13      VAL  47  -1.998   7.725  -3.661
  443   1HG2  VAL  47          HG21      VAL  47  -0.211   4.723  -3.648
  444   2HG2  VAL  47          HG22      VAL  47  -1.234   5.385  -2.374
  445   3HG2  VAL  47          HG23      VAL  47  -0.245   6.462  -3.357
  446    H    TRP  48           HN       TRP  48  -1.576   3.440  -2.438
  447    HA   TRP  48           HA       TRP  48  -0.222   1.593  -4.040
  448   1HB   TRP  48           HB2      TRP  48  -0.147   2.469  -1.385
  449   2HB   TRP  48           HB1      TRP  48  -0.438   0.738  -1.278
  450    HD1  TRP  48           HD1      TRP  48   2.179   3.293  -2.333
  451    HE1  TRP  48           HE1      TRP  48   4.428   2.096  -2.700
  452    HE3  TRP  48           HE3      TRP  48   0.591  -1.550  -1.964
  453    HZ2  TRP  48           HZ2      TRP  48   5.400  -0.550  -2.819
  454    HZ3  TRP  48           HZ3      TRP  48   2.244  -3.353  -2.219
  455    HH2  TRP  48           HH2      TRP  48   4.596  -2.865  -2.635
  456    H    PHE  49           HN       PHE  49  -2.964   1.053  -1.782
  457    HA   PHE  49           HA       PHE  49  -3.279  -1.673  -2.467
  458   1HB   PHE  49           HB2      PHE  49  -5.294   0.274  -1.323
  459   2HB   PHE  49           HB1      PHE  49  -5.526  -1.464  -1.424
  460    HD1  PHE  49           HD1      PHE  49  -2.294  -1.598  -0.722
  461    HD2  PHE  49           HD2      PHE  49  -5.849  -0.128   1.101
  462    HE1  PHE  49           HE1      PHE  49  -1.265  -1.860   1.499
  463    HE2  PHE  49           HE2      PHE  49  -4.826  -0.383   3.320
  464    HZ   PHE  49           HZ       PHE  49  -2.534  -1.251   3.523
  465    H    ILE  50           HN       ILE  50  -4.373   1.291  -3.939
  466    HA   ILE  50           HA       ILE  50  -6.553   0.402  -5.410
  467    HB   ILE  50           HB       ILE  50  -4.614   2.614  -5.683
  468   1HG1  ILE  50          HG12      ILE  50  -6.822   2.727  -4.502
  469   2HG1  ILE  50          HG11      ILE  50  -6.610   3.949  -5.751
  470   1HG2  ILE  50          HG21      ILE  50  -4.440   1.955  -7.940
  471   2HG2  ILE  50          HG22      ILE  50  -5.628   3.259  -7.915
  472   3HG2  ILE  50          HG23      ILE  50  -6.161   1.582  -8.046
  473   1HD1  ILE  50          HD11      ILE  50  -8.236   3.078  -7.065
  474   2HD1  ILE  50          HD12      ILE  50  -8.833   2.535  -5.497
  475   3HD1  ILE  50          HD13      ILE  50  -7.938   1.423  -6.532
  476    H    ASN  51           HN       ASN  51  -3.146   0.503  -6.465
  477    HA   ASN  51           HA       ASN  51  -3.725  -1.059  -8.814
  478   1HB   ASN  51           HB2      ASN  51  -1.034  -0.313  -7.653
  479   2HB   ASN  51           HB1      ASN  51  -1.351  -0.886  -9.287
  480   1HD2  ASN  51          HD21      ASN  51  -0.910   1.792  -7.374
  481   2HD2  ASN  51          HD22      ASN  51  -1.538   3.000  -8.448
  482    H    LYS  52           HN       LYS  52  -2.541  -1.630  -5.587
  483    HA   LYS  52           HA       LYS  52  -1.756  -4.365  -6.203
  484   1HB   LYS  52           HB2      LYS  52  -1.589  -2.628  -3.758
  485   2HB   LYS  52           HB1      LYS  52  -1.331  -4.364  -3.642
  486   1HG   LYS  52           HG2      LYS  52   0.235  -2.458  -5.375
  487   2HG   LYS  52           HG1      LYS  52   0.774  -3.147  -3.845
  488   1HD   LYS  52           HD2      LYS  52   0.353  -5.427  -4.967
  489   2HD   LYS  52           HD1      LYS  52   0.335  -4.517  -6.478
  490   1HE   LYS  52           HE2      LYS  52   2.582  -3.535  -5.390
  491   2HE   LYS  52           HE1      LYS  52   2.579  -5.139  -4.656
  492   1HZ   LYS  52           HZ1      LYS  52   3.607  -4.615  -7.052
  493   2HZ   LYS  52           HZ2      LYS  52   2.038  -5.056  -7.506
  494   3HZ   LYS  52           HZ3      LYS  52   2.993  -6.131  -6.616
  495    H    ARG  53           HN       ARG  53  -4.641  -3.076  -5.988
  496    HA   ARG  53           HA       ARG  53  -5.933  -5.465  -5.194
  497   1HB   ARG  53           HB2      ARG  53  -5.297  -4.446  -2.960
  498   2HB   ARG  53           HB1      ARG  53  -6.394  -3.129  -3.348
  499   1HG   ARG  53           HG2      ARG  53  -7.959  -5.307  -3.816
  500   2HG   ARG  53           HG1      ARG  53  -6.983  -5.834  -2.450
  501   1HD   ARG  53           HD2      ARG  53  -8.940  -4.810  -1.567
  502   2HD   ARG  53           HD1      ARG  53  -7.600  -3.695  -1.299
  503    HE   ARG  53           HE       ARG  53  -9.000  -3.175  -3.740
  504   1HH1  ARG  53          HH11      ARG  53  -9.039  -2.640  -0.293
  505   2HH1  ARG  53          HH12      ARG  53  -9.980  -1.190  -0.402
  506   1HH2  ARG  53          HH21      ARG  53 -10.241  -1.270  -3.887
  507   2HH2  ARG  53          HH22      ARG  53 -10.665  -0.414  -2.443
  508    H    MET  54           HN       MET  54  -5.936  -3.551  -7.405
  509    HA   MET  54           HA       MET  54  -8.089  -1.827  -7.451
  510   1HB   MET  54           HB2      MET  54  -6.275  -2.741  -9.304
  511   2HB   MET  54           HB1      MET  54  -7.796  -3.362  -9.932
  512   1HG   MET  54           HG2      MET  54  -8.690  -0.998  -9.658
  513   2HG   MET  54           HG1      MET  54  -7.010  -0.514  -9.435
  514   1HE   MET  54           HE1      MET  54  -8.584   0.341 -13.098
  515   2HE   MET  54           HE2      MET  54  -8.950   0.632 -11.398
  516   3HE   MET  54           HE3      MET  54  -9.707  -0.718 -12.244
  517    H    ARG  55           HN       ARG  55  -9.758  -2.732  -6.205
  518    HA   ARG  55           HA       ARG  55 -11.015  -5.194  -6.935
  519   1HB   ARG  55           HB2      ARG  55 -11.614  -3.002  -4.978
  520   2HB   ARG  55           HB1      ARG  55 -12.815  -4.243  -5.310
  521   1HG   ARG  55           HG2      ARG  55 -10.109  -5.233  -4.714
  522   2HG   ARG  55           HG1      ARG  55 -10.939  -4.422  -3.384
  523   1HD   ARG  55           HD2      ARG  55 -11.559  -6.660  -3.151
  524   2HD   ARG  55           HD1      ARG  55 -12.933  -5.918  -3.971
  525    HE   ARG  55           HE       ARG  55 -11.235  -6.905  -5.936
  526   1HH1  ARG  55          HH11      ARG  55 -13.183  -8.155  -3.325
  527   2HH1  ARG  55          HH12      ARG  55 -13.480  -9.671  -4.105
  528   1HH2  ARG  55          HH21      ARG  55 -11.627  -8.900  -6.965
  529   2HH2  ARG  55          HH22      ARG  55 -12.598 -10.095  -6.172
  530    H    SER  56           HN       SER  56 -11.615  -1.784  -7.526
  531    HA   SER  56           HA       SER  56 -14.185  -1.710  -8.416
  532   1HB   SER  56           HB2      SER  56 -13.034   0.337  -8.396
  533   2HB   SER  56           HB1      SER  56 -11.728  -0.283  -9.407
  534    HG   SER  56           HG       SER  56 -14.380   0.350 -10.173
  535    H    LYS  57           HN       LYS  57 -11.375  -2.454 -10.493
  536    HA   LYS  57           HA       LYS  57 -11.194  -3.621 -12.438
  537   1HB   LYS  57           HB2      LYS  57 -12.081  -5.477 -11.159
  538   2HB   LYS  57           HB1      LYS  57 -13.724  -4.901 -11.393
  539   1HG   LYS  57           HG2      LYS  57 -13.426  -5.267 -13.843
  540   2HG   LYS  57           HG1      LYS  57 -11.870  -6.016 -13.483
  541   1HD   LYS  57           HD2      LYS  57 -12.824  -7.923 -12.786
  542   2HD   LYS  57           HD1      LYS  57 -14.071  -7.070 -11.875
  543   1HE   LYS  57           HE2      LYS  57 -15.192  -8.287 -13.567
  544   2HE   LYS  57           HE1      LYS  57 -15.197  -6.600 -14.080
  545   1HZ   LYS  57           HZ1      LYS  57 -14.454  -8.623 -15.643
  546   2HZ   LYS  57           HZ2      LYS  57 -12.950  -8.184 -15.006
  547   3HZ   LYS  57           HZ3      LYS  57 -13.884  -7.041 -15.831
  Start of MODEL    8
    1   1H    LYS  -3           HT1      LYS  -3  -8.637   2.065 -19.696
    2   2H    LYS  -3           HT2      LYS  -3  -9.216   0.655 -20.484
    3   3H    LYS  -3           HT3      LYS  -3  -8.777   2.036 -21.404
    4    HA   LYS  -3           HA       LYS  -3  -6.974   0.371 -19.779
    5   1HB   LYS  -3           HB2      LYS  -3  -7.876  -0.663 -21.863
    6   2HB   LYS  -3           HB1      LYS  -3  -7.228   0.693 -22.777
    7   1HG   LYS  -3           HG2      LYS  -3  -4.979   0.084 -22.183
    8   2HG   LYS  -3           HG1      LYS  -3  -5.568  -1.191 -21.115
    9   1HD   LYS  -3           HD2      LYS  -3  -4.804  -2.109 -23.245
   10   2HD   LYS  -3           HD1      LYS  -3  -6.538  -2.355 -23.032
   11   1HE   LYS  -3           HE2      LYS  -3  -7.076  -0.987 -24.748
   12   2HE   LYS  -3           HE1      LYS  -3  -5.760   0.133 -24.405
   13   1HZ   LYS  -3           HZ1      LYS  -3  -4.266  -1.117 -25.619
   14   2HZ   LYS  -3           HZ2      LYS  -3  -5.677  -1.269 -26.540
   15   3HZ   LYS  -3           HZ3      LYS  -3  -5.190  -2.533 -25.526
   16    H    LYS  -2           HN       LYS  -2  -5.465   1.652 -18.934
   17    HA   LYS  -2           HA       LYS  -2  -4.601   4.021 -20.442
   18   1HB   LYS  -2           HB2      LYS  -2  -3.975   3.421 -17.556
   19   2HB   LYS  -2           HB1      LYS  -2  -3.865   4.965 -18.389
   20   1HG   LYS  -2           HG2      LYS  -2  -5.937   5.467 -17.804
   21   2HG   LYS  -2           HG1      LYS  -2  -6.543   4.005 -18.583
   22   1HD   LYS  -2           HD2      LYS  -2  -7.174   3.437 -16.498
   23   2HD   LYS  -2           HD1      LYS  -2  -5.481   2.977 -16.307
   24   1HE   LYS  -2           HE2      LYS  -2  -5.592   5.735 -15.807
   25   2HE   LYS  -2           HE1      LYS  -2  -6.977   5.037 -14.970
   26   1HZ   LYS  -2           HZ1      LYS  -2  -4.797   5.147 -13.711
   27   2HZ   LYS  -2           HZ2      LYS  -2  -4.264   3.890 -14.710
   28   3HZ   LYS  -2           HZ3      LYS  -2  -5.603   3.659 -13.704
   29    H    GLU  -1           HN       GLU  -1  -2.789   3.822 -21.562
   30    HA   GLU  -1           HA       GLU  -1  -0.719   3.173 -22.241
   31   1HB   GLU  -1           HB2      GLU  -1  -0.175   2.540 -19.341
   32   2HB   GLU  -1           HB1      GLU  -1   0.995   2.965 -20.583
   33   1HG   GLU  -1           HG2      GLU  -1   0.851   4.963 -19.536
   34   2HG   GLU  -1           HG1      GLU  -1  -0.472   5.166 -20.685
   35    H    LYS   0           HN       LYS   0   1.022   1.219 -21.583
   36    HA   LYS   0           HA       LYS   0  -0.386  -1.143 -22.424
   37   1HB   LYS   0           HB2      LYS   0   2.480  -0.401 -22.012
   38   2HB   LYS   0           HB1      LYS   0   2.048  -2.103 -22.107
   39   1HG   LYS   0           HG2      LYS   0   0.745  -1.138 -24.269
   40   2HG   LYS   0           HG1      LYS   0   2.135  -0.052 -24.205
   41   1HD   LYS   0           HD2      LYS   0   3.662  -1.802 -24.456
   42   2HD   LYS   0           HD1      LYS   0   2.480  -3.023 -23.983
   43   1HE   LYS   0           HE2      LYS   0   1.223  -2.158 -26.126
   44   2HE   LYS   0           HE1      LYS   0   2.839  -1.630 -26.592
   45   1HZ   LYS   0           HZ1      LYS   0   1.858  -4.372 -26.122
   46   2HZ   LYS   0           HZ2      LYS   0   3.509  -4.020 -26.010
   47   3HZ   LYS   0           HZ3      LYS   0   2.685  -3.755 -27.463
   48    H    SER   1           HN       SER   1   1.321  -0.083 -19.517
   49    HA   SER   1           HA       SER   1  -0.248  -1.609 -17.774
   50   1HB   SER   1           HB2      SER   1   2.177  -2.955 -17.260
   51   2HB   SER   1           HB1      SER   1   0.672  -3.650 -17.860
   52    HG   SER   1           HG       SER   1   2.894  -3.640 -19.125
   53    HA   PRO   2           HA       PRO   2   3.834   0.036 -15.448
   54   1HB   PRO   2           HB2      PRO   2   4.601   1.850 -17.698
   55   2HB   PRO   2           HB1      PRO   2   5.626   1.050 -16.499
   56   1HG   PRO   2           HG2      PRO   2   5.460   0.110 -18.983
   57   2HG   PRO   2           HG1      PRO   2   5.546  -0.991 -17.596
   58   1HD   PRO   2           HD2      PRO   2   3.226  -0.292 -19.319
   59   2HD   PRO   2           HD1      PRO   2   3.593  -1.809 -18.475
   60    H    LYS   3           HN       LYS   3   3.031   1.410 -14.007
   61    HA   LYS   3           HA       LYS   3   2.306   4.085 -14.649
   62   1HB   LYS   3           HB2      LYS   3   0.215   2.060 -14.662
   63   2HB   LYS   3           HB1      LYS   3  -0.104   3.322 -13.480
   64   1HG   LYS   3           HG2      LYS   3   0.432   3.741 -16.414
   65   2HG   LYS   3           HG1      LYS   3  -1.138   3.836 -15.615
   66   1HD   LYS   3           HD2      LYS   3   0.940   5.521 -14.412
   67   2HD   LYS   3           HD1      LYS   3   0.515   5.956 -16.069
   68   1HE   LYS   3           HE2      LYS   3  -1.759   5.390 -14.289
   69   2HE   LYS   3           HE1      LYS   3  -0.813   6.819 -13.871
   70   1HZ   LYS   3           HZ1      LYS   3  -2.218   6.256 -16.418
   71   2HZ   LYS   3           HZ2      LYS   3  -1.079   7.495 -16.259
   72   3HZ   LYS   3           HZ3      LYS   3  -2.496   7.527 -15.337
   73    H    GLY   4           HN       GLY   4   3.986   4.200 -13.010
   74   1HA   GLY   4           HA2      GLY   4   4.224   5.094 -10.820
   75   2HA   GLY   4           HA1      GLY   4   2.807   4.181 -10.323
   76    H    LYS   5           HN       LYS   5   5.825   4.400  -9.541
   77    HA   LYS   5           HA       LYS   5   6.141   1.506  -9.140
   78   1HB   LYS   5           HB2      LYS   5   8.616   1.820  -9.433
   79   2HB   LYS   5           HB1      LYS   5   7.670   2.007 -10.903
   80   1HG   LYS   5           HG2      LYS   5   8.875   3.869 -11.179
   81   2HG   LYS   5           HG1      LYS   5   7.755   4.567 -10.009
   82   1HD   LYS   5           HD2      LYS   5   9.397   3.710  -8.228
   83   2HD   LYS   5           HD1      LYS   5  10.536   3.529  -9.564
   84   1HE   LYS   5           HE2      LYS   5   9.181   6.060  -8.650
   85   2HE   LYS   5           HE1      LYS   5  10.895   5.664  -8.528
   86   1HZ   LYS   5           HZ1      LYS   5  10.673   5.441 -11.100
   87   2HZ   LYS   5           HZ2      LYS   5  10.868   6.964 -10.391
   88   3HZ   LYS   5           HZ3      LYS   5   9.333   6.450 -10.884
   89    H    SER   6           HN       SER   6   6.424   0.979  -7.079
   90    HA   SER   6           HA       SER   6   6.522   2.941  -5.038
   91   1HB   SER   6           HB2      SER   6   7.146   0.000  -4.721
   92   2HB   SER   6           HB1      SER   6   6.540   1.109  -3.491
   93    HG   SER   6           HG       SER   6   5.194  -0.057  -5.660
   94    H    SER   7           HN       SER   7   8.186   3.064  -3.342
   95    HA   SER   7           HA       SER   7  10.885   2.417  -4.295
   96   1HB   SER   7           HB2      SER   7  10.218   5.080  -3.040
   97   2HB   SER   7           HB1      SER   7  11.715   4.604  -3.840
   98    HG   SER   7           HG       SER   7   9.245   5.313  -4.946
   99    H    ILE   8           HN       ILE   8  10.767   0.698  -2.737
  100    HA   ILE   8           HA       ILE   8  11.741   1.516  -0.160
  101    HB   ILE   8           HB       ILE   8   9.151   1.523  -0.048
  102   1HG1  ILE   8          HG12      ILE   8  10.505  -0.194   2.020
  103   2HG1  ILE   8          HG11      ILE   8  10.896   1.514   1.848
  104   1HG2  ILE   8          HG21      ILE   8   8.893  -0.677  -1.175
  105   2HG2  ILE   8          HG22      ILE   8   8.078  -0.580   0.386
  106   3HG2  ILE   8          HG23      ILE   8   9.610  -1.443   0.243
  107   1HD1  ILE   8          HD11      ILE   8   9.066   0.665   3.538
  108   2HD1  ILE   8          HD12      ILE   8   8.040   0.762   2.107
  109   3HD1  ILE   8          HD13      ILE   8   8.894   2.196   2.679
  110    H    SER   9           HN       SER   9  12.299  -0.385   1.212
  111    HA   SER   9           HA       SER   9  13.907  -2.206  -0.136
  112   1HB   SER   9           HB2      SER   9  12.986  -3.292   2.387
  113   2HB   SER   9           HB1      SER   9  14.575  -2.648   1.968
  114    HG   SER   9           HG       SER   9  12.327  -1.279   2.988
  115    HA   PRO  10           HA       PRO  10  11.594  -5.851  -1.279
  116   1HB   PRO  10           HB2      PRO  10  11.790  -7.672   0.832
  117   2HB   PRO  10           HB1      PRO  10  12.924  -7.536  -0.517
  118   1HG   PRO  10           HG2      PRO  10  13.099  -6.378   2.234
  119   2HG   PRO  10           HG1      PRO  10  14.379  -7.100   1.237
  120   1HD   PRO  10           HD2      PRO  10  14.209  -4.469   1.484
  121   2HD   PRO  10           HD1      PRO  10  14.577  -5.183  -0.098
  122    H    GLN  11           HN       GLN  11  11.108  -4.574   1.906
  123    HA   GLN  11           HA       GLN  11   8.754  -5.721   2.741
  124   1HB   GLN  11           HB2      GLN  11   9.684  -2.858   2.999
  125   2HB   GLN  11           HB1      GLN  11   8.339  -3.545   3.904
  126   1HG   GLN  11           HG2      GLN  11   9.705  -4.446   5.401
  127   2HG   GLN  11           HG1      GLN  11  10.704  -5.177   4.149
  128   1HE2  GLN  11          HE21      GLN  11  10.077  -1.746   4.601
  129   2HE2  GLN  11          HE22      GLN  11  11.711  -1.309   4.981
  130    H    ALA  12           HN       ALA  12   9.245  -3.569   0.054
  131    HA   ALA  12           HA       ALA  12   6.802  -2.360  -0.261
  132   1HB   ALA  12           HB1      ALA  12   7.434  -1.946  -2.397
  133   2HB   ALA  12           HB2      ALA  12   7.882  -3.624  -2.705
  134   3HB   ALA  12           HB3      ALA  12   8.981  -2.565  -1.820
  135    H    ARG  13           HN       ARG  13   7.706  -5.579  -1.474
  136    HA   ARG  13           HA       ARG  13   4.966  -6.274  -2.049
  137   1HB   ARG  13           HB2      ARG  13   5.841  -8.334  -2.897
  138   2HB   ARG  13           HB1      ARG  13   6.922  -7.049  -3.422
  139   1HG   ARG  13           HG2      ARG  13   8.164  -7.735  -1.164
  140   2HG   ARG  13           HG1      ARG  13   7.393  -9.277  -1.534
  141   1HD   ARG  13           HD2      ARG  13   8.689  -7.967  -3.819
  142   2HD   ARG  13           HD1      ARG  13   9.789  -8.445  -2.525
  143    HE   ARG  13           HE       ARG  13   8.373 -10.177  -4.328
  144   1HH1  ARG  13          HH11      ARG  13   9.879  -9.945  -1.188
  145   2HH1  ARG  13          HH12      ARG  13  10.163 -11.648  -1.061
  146   1HH2  ARG  13          HH21      ARG  13   8.747 -12.417  -4.162
  147   2HH2  ARG  13          HH22      ARG  13   9.521 -13.052  -2.747
  148    H    ALA  14           HN       ALA  14   7.370  -6.950   0.428
  149    HA   ALA  14           HA       ALA  14   6.006  -9.055   1.722
  150   1HB   ALA  14           HB1      ALA  14   8.420  -7.634   2.069
  151   2HB   ALA  14           HB2      ALA  14   7.909  -9.123   2.863
  152   3HB   ALA  14           HB3      ALA  14   7.550  -7.562   3.601
  153    H    PHE  15           HN       PHE  15   6.246  -5.608   2.579
  154    HA   PHE  15           HA       PHE  15   4.523  -5.620   4.735
  155   1HB   PHE  15           HB2      PHE  15   4.744  -3.353   4.717
  156   2HB   PHE  15           HB1      PHE  15   6.019  -3.716   3.572
  157    HD1  PHE  15           HD1      PHE  15   6.068  -2.531   1.599
  158    HD2  PHE  15           HD2      PHE  15   2.350  -3.007   3.614
  159    HE1  PHE  15           HE1      PHE  15   4.987  -1.073  -0.058
  160    HE2  PHE  15           HE2      PHE  15   1.262  -1.551   1.955
  161    HZ   PHE  15           HZ       PHE  15   2.582  -0.583   0.116
  162    H    LEU  16           HN       LEU  16   3.770  -5.003   1.317
  163    HA   LEU  16           HA       LEU  16   0.965  -4.817   1.758
  164   1HB   LEU  16           HB2      LEU  16   1.944  -3.809  -0.205
  165   2HB   LEU  16           HB1      LEU  16   2.554  -5.363  -0.746
  166    HG   LEU  16           HG       LEU  16  -0.155  -5.825  -0.531
  167   1HD1  LEU  16          HD11      LEU  16  -0.266  -3.414  -2.148
  168   2HD1  LEU  16          HD12      LEU  16   0.042  -3.083  -0.445
  169   3HD1  LEU  16          HD13      LEU  16  -1.380  -4.011  -0.920
  170   1HD2  LEU  16          HD21      LEU  16  -0.008  -5.398  -3.108
  171   2HD2  LEU  16          HD22      LEU  16   0.889  -6.720  -2.367
  172   3HD2  LEU  16          HD23      LEU  16   1.712  -5.215  -2.773
  173    H    GLU  17           HN       GLU  17   3.187  -7.437   1.086
  174    HA   GLU  17           HA       GLU  17   1.464  -9.431   0.234
  175   1HB   GLU  17           HB2      GLU  17   4.093  -9.310   1.472
  176   2HB   GLU  17           HB1      GLU  17   3.198 -10.727   1.997
  177   1HG   GLU  17           HG2      GLU  17   2.740 -10.851  -0.645
  178   2HG   GLU  17           HG1      GLU  17   4.316 -10.061  -0.642
  179    H    GLN  18           HN       GLN  18   2.411  -8.749   3.581
  180    HA   GLN  18           HA       GLN  18   0.468 -10.494   4.690
  181   1HB   GLN  18           HB2      GLN  18   1.020  -9.037   6.814
  182   2HB   GLN  18           HB1      GLN  18   2.184 -10.186   6.176
  183   1HG   GLN  18           HG2      GLN  18   3.663  -8.595   5.688
  184   2HG   GLN  18           HG1      GLN  18   2.439  -7.535   5.000
  185   1HE2  GLN  18          HE21      GLN  18   0.777  -7.124   7.119
  186   2HE2  GLN  18          HE22      GLN  18   1.620  -6.286   8.381
  187    H    VAL  19           HN       VAL  19   0.507  -7.062   3.889
  188    HA   VAL  19           HA       VAL  19  -1.786  -6.262   5.300
  189    HB   VAL  19           HB       VAL  19  -0.787  -5.246   2.629
  190   1HG1  VAL  19          HG11      VAL  19  -2.891  -4.342   2.668
  191   2HG1  VAL  19          HG12      VAL  19  -2.018  -3.127   3.601
  192   3HG1  VAL  19          HG13      VAL  19  -2.982  -4.348   4.430
  193   1HG2  VAL  19          HG21      VAL  19  -0.401  -3.571   4.979
  194   2HG2  VAL  19          HG22      VAL  19   0.738  -4.037   3.718
  195   3HG2  VAL  19          HG23      VAL  19   0.447  -5.114   5.082
  196    H    PHE  20           HN       PHE  20  -1.628  -6.936   1.796
  197    HA   PHE  20           HA       PHE  20  -4.390  -7.199   1.431
  198   1HB   PHE  20           HB2      PHE  20  -2.639  -6.884  -0.357
  199   2HB   PHE  20           HB1      PHE  20  -2.249  -8.590  -0.187
  200    HD1  PHE  20           HD1      PHE  20  -5.400  -6.602  -0.465
  201    HD2  PHE  20           HD2      PHE  20  -3.071  -9.863  -1.894
  202    HE1  PHE  20           HE1      PHE  20  -7.176  -7.161  -2.074
  203    HE2  PHE  20           HE2      PHE  20  -4.842 -10.428  -3.507
  204    HZ   PHE  20           HZ       PHE  20  -6.898  -9.076  -3.598
  205    H    ARG  21           HN       ARG  21  -2.158  -9.319   2.914
  206    HA   ARG  21           HA       ARG  21  -3.538 -11.774   2.379
  207   1HB   ARG  21           HB2      ARG  21  -1.051 -11.084   3.363
  208   2HB   ARG  21           HB1      ARG  21  -1.867 -11.722   4.772
  209   1HG   ARG  21           HG2      ARG  21  -1.718 -13.818   4.042
  210   2HG   ARG  21           HG1      ARG  21  -2.245 -13.377   2.415
  211   1HD   ARG  21           HD2      ARG  21  -0.143 -13.229   1.644
  212   2HD   ARG  21           HD1      ARG  21   0.443 -12.444   3.110
  213    HE   ARG  21           HE       ARG  21  -0.127 -15.271   3.361
  214   1HH1  ARG  21          HH11      ARG  21   2.288 -12.840   2.683
  215   2HH1  ARG  21          HH12      ARG  21   3.617 -13.874   3.082
  216   1HH2  ARG  21          HH21      ARG  21   1.622 -16.629   3.884
  217   2HH2  ARG  21          HH22      ARG  21   3.241 -16.024   3.763
  218    H    ARG  22           HN       ARG  22  -3.418  -9.452   5.032
  219    HA   ARG  22           HA       ARG  22  -4.894 -10.879   6.922
  220   1HB   ARG  22           HB2      ARG  22  -4.585  -7.922   6.430
  221   2HB   ARG  22           HB1      ARG  22  -5.482  -8.563   7.796
  222   1HG   ARG  22           HG2      ARG  22  -2.581  -9.112   7.217
  223   2HG   ARG  22           HG1      ARG  22  -3.188  -7.938   8.384
  224   1HD   ARG  22           HD2      ARG  22  -4.458 -10.418   8.909
  225   2HD   ARG  22           HD1      ARG  22  -2.732 -10.727   8.727
  226    HE   ARG  22           HE       ARG  22  -4.010  -9.420  10.904
  227   1HH1  ARG  22          HH11      ARG  22  -1.082  -9.419   9.003
  228   2HH1  ARG  22          HH12      ARG  22  -0.107  -8.765  10.277
  229   1HH2  ARG  22          HH21      ARG  22  -2.729  -8.560  12.580
  230   2HH2  ARG  22          HH22      ARG  22  -1.041  -8.279  12.308
  231    H    LYS  23           HN       LYS  23  -5.942  -8.813   4.273
  232    HA   LYS  23           HA       LYS  23  -8.475 -10.093   4.125
  233   1HB   LYS  23           HB2      LYS  23  -9.913  -8.230   4.696
  234   2HB   LYS  23           HB1      LYS  23  -8.893  -8.630   6.069
  235   1HG   LYS  23           HG2      LYS  23  -7.538  -6.732   5.745
  236   2HG   LYS  23           HG1      LYS  23  -8.209  -6.431   4.144
  237   1HD   LYS  23           HD2      LYS  23  -9.506  -6.021   6.824
  238   2HD   LYS  23           HD1      LYS  23  -9.208  -4.838   5.554
  239   1HE   LYS  23           HE2      LYS  23 -11.446  -5.196   5.256
  240   2HE   LYS  23           HE1      LYS  23 -10.786  -6.407   4.161
  241   1HZ   LYS  23           HZ1      LYS  23 -11.865  -7.950   5.296
  242   2HZ   LYS  23           HZ2      LYS  23 -12.462  -6.792   6.374
  243   3HZ   LYS  23           HZ3      LYS  23 -10.992  -7.565   6.693
  244    H    GLN  24           HN       GLN  24  -9.556  -7.357   3.025
  245    HA   GLN  24           HA       GLN  24  -7.864  -7.081   0.678
  246   1HB   GLN  24           HB2      GLN  24 -10.764  -7.553   0.146
  247   2HB   GLN  24           HB1      GLN  24  -9.383  -7.786  -0.914
  248   1HG   GLN  24           HG2      GLN  24  -9.853  -9.534   1.476
  249   2HG   GLN  24           HG1      GLN  24 -10.607  -9.855  -0.084
  250   1HE2  GLN  24          HE21      GLN  24  -8.494 -11.228   1.592
  251   2HE2  GLN  24          HE22      GLN  24  -7.200 -11.520   0.476
  252    H    SER  25           HN       SER  25 -10.930  -6.167   2.197
  253    HA   SER  25           HA       SER  25 -10.807  -3.555   0.916
  254   1HB   SER  25           HB2      SER  25 -12.943  -4.837   0.990
  255   2HB   SER  25           HB1      SER  25 -12.946  -4.657   2.744
  256    HG   SER  25           HG       SER  25 -14.192  -3.047   1.639
  257    H    LEU  26           HN       LEU  26  -8.902  -2.864   2.135
  258    HA   LEU  26           HA       LEU  26  -9.110  -2.462   4.968
  259   1HB   LEU  26           HB2      LEU  26  -7.221  -1.049   3.087
  260   2HB   LEU  26           HB1      LEU  26  -7.025  -1.289   4.811
  261    HG   LEU  26           HG       LEU  26  -6.538  -3.187   2.564
  262   1HD1  LEU  26          HD11      LEU  26  -4.456  -2.914   3.265
  263   2HD1  LEU  26          HD12      LEU  26  -4.889  -3.563   4.846
  264   3HD1  LEU  26          HD13      LEU  26  -5.017  -1.832   4.537
  265   1HD2  LEU  26          HD21      LEU  26  -8.107  -4.473   3.801
  266   2HD2  LEU  26          HD22      LEU  26  -7.387  -3.992   5.337
  267   3HD2  LEU  26          HD23      LEU  26  -6.501  -5.053   4.240
  268    H    ASN  27           HN       ASN  27 -10.242  -0.902   5.939
  269    HA   ASN  27           HA       ASN  27 -11.270   1.302   4.334
  270   1HB   ASN  27           HB2      ASN  27 -12.140   1.568   7.026
  271   2HB   ASN  27           HB1      ASN  27 -13.084   1.090   5.622
  272   1HD2  ASN  27          HD21      ASN  27 -11.398   0.032   8.443
  273   2HD2  ASN  27          HD22      ASN  27 -11.955  -1.609   8.419
  274    H    SER  28           HN       SER  28 -11.490   3.446   5.717
  275    HA   SER  28           HA       SER  28  -9.047   4.683   5.787
  276   1HB   SER  28           HB2      SER  28 -11.725   5.293   6.858
  277   2HB   SER  28           HB1      SER  28 -10.397   6.143   7.654
  278    HG   SER  28           HG       SER  28 -10.707   6.052   4.840
  279    H    LYS  29           HN       LYS  29 -10.509   2.704   8.236
  280    HA   LYS  29           HA       LYS  29  -8.731   3.503  10.344
  281   1HB   LYS  29           HB2      LYS  29 -10.709   1.258  10.016
  282   2HB   LYS  29           HB1      LYS  29  -9.711   1.423  11.451
  283   1HG   LYS  29           HG2      LYS  29 -11.808   3.326  10.446
  284   2HG   LYS  29           HG1      LYS  29 -11.828   2.378  11.934
  285   1HD   LYS  29           HD2      LYS  29 -11.029   4.224  12.918
  286   2HD   LYS  29           HD1      LYS  29  -9.493   3.802  12.159
  287   1HE   LYS  29           HE2      LYS  29  -9.694   5.399  10.540
  288   2HE   LYS  29           HE1      LYS  29 -11.460   5.342  10.552
  289   1HZ   LYS  29           HZ1      LYS  29 -11.031   6.317  12.964
  290   2HZ   LYS  29           HZ2      LYS  29 -11.169   7.307  11.600
  291   3HZ   LYS  29           HZ3      LYS  29  -9.639   6.909  12.203
  292    H    GLU  30           HN       GLU  30  -9.074   0.660   8.263
  293    HA   GLU  30           HA       GLU  30  -6.759  -0.648   9.265
  294   1HB   GLU  30           HB2      GLU  30  -8.240  -1.065   6.661
  295   2HB   GLU  30           HB1      GLU  30  -7.036  -2.154   7.338
  296   1HG   GLU  30           HG2      GLU  30  -8.886  -1.834   9.376
  297   2HG   GLU  30           HG1      GLU  30  -9.862  -1.917   7.910
  298    H    LYS  31           HN       LYS  31  -7.461   1.480   6.564
  299    HA   LYS  31           HA       LYS  31  -5.023   1.222   5.213
  300   1HB   LYS  31           HB2      LYS  31  -5.783   2.924   3.891
  301   2HB   LYS  31           HB1      LYS  31  -7.291   2.472   4.656
  302   1HG   LYS  31           HG2      LYS  31  -7.103   4.289   6.222
  303   2HG   LYS  31           HG1      LYS  31  -5.506   4.701   5.587
  304   1HD   LYS  31           HD2      LYS  31  -6.438   5.321   3.474
  305   2HD   LYS  31           HD1      LYS  31  -8.032   4.725   3.946
  306   1HE   LYS  31           HE2      LYS  31  -8.131   6.438   5.705
  307   2HE   LYS  31           HE1      LYS  31  -6.556   7.041   5.194
  308   1HZ   LYS  31           HZ1      LYS  31  -7.869   8.431   4.012
  309   2HZ   LYS  31           HZ2      LYS  31  -9.163   7.347   3.926
  310   3HZ   LYS  31           HZ3      LYS  31  -7.835   7.161   2.895
  311    H    GLU  32           HN       GLU  32  -5.994   3.132   7.980
  312    HA   GLU  32           HA       GLU  32  -3.423   4.491   8.092
  313   1HB   GLU  32           HB2      GLU  32  -4.364   5.829   9.818
  314   2HB   GLU  32           HB1      GLU  32  -5.626   5.623   8.610
  315   1HG   GLU  32           HG2      GLU  32  -6.775   4.041   9.955
  316   2HG   GLU  32           HG1      GLU  32  -5.435   3.942  11.093
  317    H    GLU  33           HN       GLU  33  -5.245   2.023   9.796
  318    HA   GLU  33           HA       GLU  33  -3.389   1.694  11.938
  319   1HB   GLU  33           HB2      GLU  33  -5.646  -0.005  10.876
  320   2HB   GLU  33           HB1      GLU  33  -4.702  -0.445  12.288
  321   1HG   GLU  33           HG2      GLU  33  -5.836   2.264  12.318
  322   2HG   GLU  33           HG1      GLU  33  -7.001   0.944  12.374
  323    H    VAL  34           HN       VAL  34  -3.897   0.237   8.808
  324    HA   VAL  34           HA       VAL  34  -1.950  -1.857   9.180
  325    HB   VAL  34           HB       VAL  34  -3.410  -0.900   6.705
  326   1HG1  VAL  34          HG11      VAL  34  -2.493  -2.581   5.454
  327   2HG1  VAL  34          HG12      VAL  34  -2.092  -3.566   6.859
  328   3HG1  VAL  34          HG13      VAL  34  -1.115  -2.154   6.465
  329   1HG2  VAL  34          HG21      VAL  34  -4.598  -2.055   8.727
  330   2HG2  VAL  34          HG22      VAL  34  -3.874  -3.517   8.056
  331   3HG2  VAL  34          HG23      VAL  34  -4.971  -2.545   7.074
  332    H    ALA  35           HN       ALA  35  -2.113   1.302   7.623
  333    HA   ALA  35           HA       ALA  35   0.361   1.172   6.283
  334   1HB   ALA  35           HB1      ALA  35  -1.549   3.288   6.996
  335   2HB   ALA  35           HB2      ALA  35  -0.773   2.921   5.457
  336   3HB   ALA  35           HB3      ALA  35   0.106   3.807   6.696
  337    H    LYS  36           HN       LYS  36  -0.487   1.993   9.576
  338    HA   LYS  36           HA       LYS  36   2.172   2.982  10.171
  339   1HB   LYS  36           HB2      LYS  36   1.315   3.464  12.370
  340   2HB   LYS  36           HB1      LYS  36   0.150   4.007  11.169
  341   1HG   LYS  36           HG2      LYS  36  -1.191   2.002  11.561
  342   2HG   LYS  36           HG1      LYS  36  -0.025   1.463  12.770
  343   1HD   LYS  36           HD2      LYS  36  -1.452   4.106  12.951
  344   2HD   LYS  36           HD1      LYS  36  -2.104   2.621  13.646
  345   1HE   LYS  36           HE2      LYS  36  -0.471   2.496  15.256
  346   2HE   LYS  36           HE1      LYS  36   0.698   3.398  14.292
  347   1HZ   LYS  36           HZ1      LYS  36   0.150   4.993  15.779
  348   2HZ   LYS  36           HZ2      LYS  36  -1.399   4.380  16.065
  349   3HZ   LYS  36           HZ3      LYS  36  -1.093   5.286  14.670
  350    H    LYS  37           HN       LYS  37   0.516  -0.031  10.295
  351    HA   LYS  37           HA       LYS  37   2.478  -1.110  12.191
  352   1HB   LYS  37           HB2      LYS  37   1.012  -2.958  12.523
  353   2HB   LYS  37           HB1      LYS  37   0.030  -1.502  12.582
  354   1HG   LYS  37           HG2      LYS  37  -1.301  -2.358  11.038
  355   2HG   LYS  37           HG1      LYS  37   0.044  -2.374   9.898
  356   1HD   LYS  37           HD2      LYS  37  -0.590  -4.594   9.912
  357   2HD   LYS  37           HD1      LYS  37   0.692  -4.582  11.125
  358   1HE   LYS  37           HE2      LYS  37  -2.280  -4.512  11.619
  359   2HE   LYS  37           HE1      LYS  37  -1.178  -5.843  11.965
  360   1HZ   LYS  37           HZ1      LYS  37  -0.022  -4.347  13.538
  361   2HZ   LYS  37           HZ2      LYS  37  -1.622  -4.672  13.979
  362   3HZ   LYS  37           HZ3      LYS  37  -1.225  -3.184  13.280
  363    H    CYS  38           HN       CYS  38   1.484  -1.252   8.865
  364    HA   CYS  38           HA       CYS  38   3.232  -3.538   8.357
  365   1HB   CYS  38           HB2      CYS  38   1.320  -2.073   6.530
  366   2HB   CYS  38           HB1      CYS  38   2.262  -3.491   6.082
  367    HG   CYS  38           HG       CYS  38  -0.168  -3.505   7.997
  368    H    GLY  39           HN       GLY  39   3.040  -0.090   7.843
  369   1HA   GLY  39           HA2      GLY  39   5.207   1.037   7.629
  370   2HA   GLY  39           HA1      GLY  39   5.684  -0.242   6.526
  371    H    ILE  40           HN       ILE  40   2.489   1.119   6.329
  372    HA   ILE  40           HA       ILE  40   3.288   2.463   3.833
  373    HB   ILE  40           HB       ILE  40   0.417   2.092   4.108
  374   1HG1  ILE  40          HG12      ILE  40   2.027  -0.451   3.854
  375   2HG1  ILE  40          HG11      ILE  40   1.249   0.043   5.349
  376   1HG2  ILE  40          HG21      ILE  40   1.970   0.750   1.979
  377   2HG2  ILE  40          HG22      ILE  40   2.104   2.506   2.084
  378   3HG2  ILE  40          HG23      ILE  40   0.523   1.753   1.871
  379   1HD1  ILE  40          HD11      ILE  40  -0.333  -0.177   2.828
  380   2HD1  ILE  40          HD12      ILE  40  -0.876  -0.280   4.503
  381   3HD1  ILE  40          HD13      ILE  40   0.040  -1.609   3.788
  382    H    THR  41           HN       THR  41   0.979   4.001   3.471
  383    HA   THR  41           HA       THR  41   0.689   5.630   5.871
  384    HB   THR  41           HB       THR  41   1.144   7.391   3.629
  385    HG1  THR  41           HG1      THR  41   3.264   5.624   4.283
  386   1HG2  THR  41          HG21      THR  41   1.557   8.533   5.512
  387   2HG2  THR  41          HG22      THR  41   3.189   7.901   5.296
  388   3HG2  THR  41          HG23      THR  41   2.072   7.099   6.399
  389    HA   PRO  42           HA       PRO  42  -3.531   6.132   4.731
  390   1HB   PRO  42           HB2      PRO  42  -3.653   8.958   4.846
  391   2HB   PRO  42           HB1      PRO  42  -4.059   7.825   6.135
  392   1HG   PRO  42           HG2      PRO  42  -1.551   9.351   5.677
  393   2HG   PRO  42           HG1      PRO  42  -2.303   8.851   7.202
  394   1HD   PRO  42           HD2      PRO  42  -0.127   7.615   6.259
  395   2HD   PRO  42           HD1      PRO  42  -1.416   6.705   7.075
  396    H    LEU  43           HN       LEU  43  -1.098   8.100   3.151
  397    HA   LEU  43           HA       LEU  43  -2.787   8.744   0.900
  398   1HB   LEU  43           HB2      LEU  43  -1.059  10.308   1.675
  399   2HB   LEU  43           HB1      LEU  43   0.181   9.122   1.314
  400    HG   LEU  43           HG       LEU  43  -0.277   9.283  -1.054
  401   1HD1  LEU  43          HD11      LEU  43  -2.516   9.620  -1.375
  402   2HD1  LEU  43          HD12      LEU  43  -1.905  11.247  -1.670
  403   3HD1  LEU  43          HD13      LEU  43  -2.626  10.846  -0.112
  404   1HD2  LEU  43          HD21      LEU  43  -0.241  12.149  -0.316
  405   2HD2  LEU  43          HD22      LEU  43   0.828  11.237  -1.381
  406   3HD2  LEU  43          HD23      LEU  43   1.020  11.125   0.369
  407    H    GLN  44           HN       GLN  44  -0.419   6.347   1.767
  408    HA   GLN  44           HA       GLN  44  -0.082   5.378  -0.927
  409   1HB   GLN  44           HB2      GLN  44   0.683   3.813   1.505
  410   2HB   GLN  44           HB1      GLN  44   1.464   3.861  -0.068
  411   1HG   GLN  44           HG2      GLN  44   1.471   6.098   1.940
  412   2HG   GLN  44           HG1      GLN  44   2.787   4.954   1.681
  413   1HE2  GLN  44          HE21      GLN  44   2.469   7.938   1.329
  414   2HE2  GLN  44          HE22      GLN  44   3.061   8.240  -0.273
  415    H    VAL  45           HN       VAL  45  -1.371   3.993   2.064
  416    HA   VAL  45           HA       VAL  45  -2.457   1.672   1.334
  417    HB   VAL  45           HB       VAL  45  -4.351   2.119   2.883
  418   1HG1  VAL  45          HG11      VAL  45  -1.612   1.943   3.373
  419   2HG1  VAL  45          HG12      VAL  45  -2.920   1.600   4.504
  420   3HG1  VAL  45          HG13      VAL  45  -2.198   3.206   4.453
  421   1HG2  VAL  45          HG21      VAL  45  -4.883   4.381   2.549
  422   2HG2  VAL  45          HG22      VAL  45  -3.205   4.893   2.736
  423   3HG2  VAL  45          HG23      VAL  45  -4.120   4.342   4.139
  424    H    ARG  46           HN       ARG  46  -3.742   4.807   0.343
  425    HA   ARG  46           HA       ARG  46  -6.076   3.604  -0.844
  426   1HB   ARG  46           HB2      ARG  46  -6.320   5.993  -1.802
  427   2HB   ARG  46           HB1      ARG  46  -6.575   5.731  -0.089
  428   1HG   ARG  46           HG2      ARG  46  -4.899   7.079   0.468
  429   2HG   ARG  46           HG1      ARG  46  -3.817   6.366  -0.725
  430   1HD   ARG  46           HD2      ARG  46  -4.460   8.849  -0.971
  431   2HD   ARG  46           HD1      ARG  46  -4.501   7.821  -2.402
  432    HE   ARG  46           HE       ARG  46  -6.739   8.219  -2.546
  433   1HH1  ARG  46          HH11      ARG  46  -5.728   8.861   0.732
  434   2HH1  ARG  46          HH12      ARG  46  -7.282   9.437   1.232
  435   1HH2  ARG  46          HH21      ARG  46  -8.785   8.976  -1.890
  436   2HH2  ARG  46          HH22      ARG  46  -9.018   9.501  -0.256
  437    H    VAL  47           HN       VAL  47  -3.259   5.404  -2.140
  438    HA   VAL  47           HA       VAL  47  -3.834   4.732  -4.848
  439    HB   VAL  47           HB       VAL  47  -1.622   5.615  -5.358
  440   1HG1  VAL  47          HG11      VAL  47  -3.693   7.038  -4.408
  441   2HG1  VAL  47          HG12      VAL  47  -2.189   7.769  -4.967
  442   3HG1  VAL  47          HG13      VAL  47  -2.451   7.500  -3.245
  443   1HG2  VAL  47          HG21      VAL  47  -0.235   6.461  -3.391
  444   2HG2  VAL  47          HG22      VAL  47  -0.241   4.720  -3.673
  445   3HG2  VAL  47          HG23      VAL  47  -1.231   5.409  -2.386
  446    H    TRP  48           HN       TRP  48  -1.620   3.462  -2.429
  447    HA   TRP  48           HA       TRP  48  -0.285   1.599  -4.030
  448   1HB   TRP  48           HB2      TRP  48  -0.197   2.473  -1.378
  449   2HB   TRP  48           HB1      TRP  48  -0.526   0.750  -1.269
  450    HD1  TRP  48           HD1      TRP  48   2.146   3.246  -2.325
  451    HE1  TRP  48           HE1      TRP  48   4.369   2.002  -2.681
  452    HE3  TRP  48           HE3      TRP  48   0.456  -1.564  -1.936
  453    HZ2  TRP  48           HZ2      TRP  48   5.287  -0.663  -2.781
  454    HZ3  TRP  48           HZ3      TRP  48   2.074  -3.400  -2.176
  455    HH2  TRP  48           HH2      TRP  48   4.438  -2.959  -2.589
  456    H    PHE  49           HN       PHE  49  -3.015   1.098  -1.756
  457    HA   PHE  49           HA       PHE  49  -3.381  -1.622  -2.465
  458   1HB   PHE  49           HB2      PHE  49  -5.348   0.329  -1.246
  459   2HB   PHE  49           HB1      PHE  49  -5.587  -1.408  -1.350
  460    HD1  PHE  49           HD1      PHE  49  -2.378  -1.650  -0.733
  461    HD2  PHE  49           HD2      PHE  49  -5.794   0.015   1.183
  462    HE1  PHE  49           HE1      PHE  49  -1.285  -1.926   1.456
  463    HE2  PHE  49           HE2      PHE  49  -4.708  -0.253   3.368
  464    HZ   PHE  49           HZ       PHE  49  -2.454  -1.223   3.512
  465    H    ILE  50           HN       ILE  50  -4.286   1.331  -4.018
  466    HA   ILE  50           HA       ILE  50  -6.586   0.478  -5.383
  467    HB   ILE  50           HB       ILE  50  -4.611   2.647  -5.752
  468   1HG1  ILE  50          HG12      ILE  50  -6.759   2.884  -4.531
  469   2HG1  ILE  50          HG11      ILE  50  -6.615   4.004  -5.881
  470   1HG2  ILE  50          HG21      ILE  50  -5.661   3.245  -7.983
  471   2HG2  ILE  50          HG22      ILE  50  -6.217   1.573  -8.055
  472   3HG2  ILE  50          HG23      ILE  50  -4.490   1.926  -7.993
  473   1HD1  ILE  50          HD11      ILE  50  -8.401   3.157  -6.903
  474   2HD1  ILE  50          HD12      ILE  50  -8.760   2.400  -5.351
  475   3HD1  ILE  50          HD13      ILE  50  -7.902   1.494  -6.598
  476    H    ASN  51           HN       ASN  51  -3.229   0.591  -6.611
  477    HA   ASN  51           HA       ASN  51  -3.854  -1.024  -8.882
  478   1HB   ASN  51           HB2      ASN  51  -1.337  -1.097  -9.141
  479   2HB   ASN  51           HB1      ASN  51  -2.054   0.511  -9.123
  480   1HD2  ASN  51          HD21      ASN  51  -1.560   1.908  -7.501
  481   2HD2  ASN  51          HD22      ASN  51  -0.379   1.577  -6.277
  482    H    LYS  52           HN       LYS  52  -2.248  -1.634  -5.785
  483    HA   LYS  52           HA       LYS  52  -1.600  -4.345  -6.351
  484   1HB   LYS  52           HB2      LYS  52  -1.591  -2.608  -3.926
  485   2HB   LYS  52           HB1      LYS  52  -1.474  -4.346  -3.702
  486   1HG   LYS  52           HG2      LYS  52   0.409  -2.555  -5.225
  487   2HG   LYS  52           HG1      LYS  52   0.736  -3.445  -3.739
  488   1HD   LYS  52           HD2      LYS  52   0.293  -5.559  -5.063
  489   2HD   LYS  52           HD1      LYS  52   0.322  -4.548  -6.509
  490   1HE   LYS  52           HE2      LYS  52   2.587  -3.855  -6.026
  491   2HE   LYS  52           HE1      LYS  52   2.571  -4.750  -4.508
  492   1HZ   LYS  52           HZ1      LYS  52   2.373  -6.801  -5.735
  493   2HZ   LYS  52           HZ2      LYS  52   3.723  -5.944  -6.286
  494   3HZ   LYS  52           HZ3      LYS  52   2.303  -5.966  -7.205
  495    H    ARG  53           HN       ARG  53  -4.357  -2.760  -4.890
  496    HA   ARG  53           HA       ARG  53  -5.684  -5.378  -4.666
  497   1HB   ARG  53           HB2      ARG  53  -5.250  -4.501  -2.442
  498   2HB   ARG  53           HB1      ARG  53  -5.974  -2.963  -2.869
  499   1HG   ARG  53           HG2      ARG  53  -7.864  -5.053  -3.349
  500   2HG   ARG  53           HG1      ARG  53  -7.223  -5.195  -1.713
  501   1HD   ARG  53           HD2      ARG  53  -7.823  -2.927  -1.214
  502   2HD   ARG  53           HD1      ARG  53  -8.278  -2.630  -2.890
  503    HE   ARG  53           HE       ARG  53  -9.823  -4.745  -1.862
  504   1HH1  ARG  53          HH11      ARG  53  -9.440  -1.289  -1.566
  505   2HH1  ARG  53          HH12      ARG  53 -11.086  -1.019  -1.103
  506   1HH2  ARG  53          HH21      ARG  53 -11.991  -4.392  -1.252
  507   2HH2  ARG  53          HH22      ARG  53 -12.535  -2.780  -0.923
  508    H    MET  54           HN       MET  54  -5.661  -3.659  -6.973
  509    HA   MET  54           HA       MET  54  -7.888  -2.004  -7.215
  510   1HB   MET  54           HB2      MET  54  -5.875  -2.696  -8.868
  511   2HB   MET  54           HB1      MET  54  -7.171  -3.650  -9.573
  512   1HG   MET  54           HG2      MET  54  -8.518  -1.469  -9.552
  513   2HG   MET  54           HG1      MET  54  -6.964  -0.678  -9.297
  514   1HE   MET  54           HE1      MET  54  -7.645  -3.939 -11.559
  515   2HE   MET  54           HE2      MET  54  -8.159  -3.105 -13.025
  516   3HE   MET  54           HE3      MET  54  -9.102  -2.946 -11.542
  517    H    ARG  55           HN       ARG  55  -9.558  -3.067  -6.032
  518    HA   ARG  55           HA       ARG  55 -10.587  -5.599  -6.716
  519   1HB   ARG  55           HB2      ARG  55 -11.752  -3.234  -5.263
  520   2HB   ARG  55           HB1      ARG  55 -12.674  -4.707  -5.526
  521   1HG   ARG  55           HG2      ARG  55  -9.972  -4.903  -4.289
  522   2HG   ARG  55           HG1      ARG  55 -11.328  -4.331  -3.316
  523   1HD   ARG  55           HD2      ARG  55 -10.987  -6.762  -3.118
  524   2HD   ARG  55           HD1      ARG  55 -12.568  -6.351  -3.778
  525    HE   ARG  55           HE       ARG  55 -11.983  -7.374  -5.743
  526   1HH1  ARG  55          HH11      ARG  55  -9.119  -6.909  -3.804
  527   2HH1  ARG  55          HH12      ARG  55  -8.113  -7.871  -4.834
  528   1HH2  ARG  55          HH21      ARG  55 -10.663  -8.641  -7.098
  529   2HH2  ARG  55          HH22      ARG  55  -8.989  -8.854  -6.705
  530    H    SER  56           HN       SER  56 -11.378  -2.327  -7.769
  531    HA   SER  56           HA       SER  56 -13.195  -3.474  -9.788
  532   1HB   SER  56           HB2      SER  56 -13.768  -1.519  -7.944
  533   2HB   SER  56           HB1      SER  56 -13.347  -0.570  -9.370
  534    HG   SER  56           HG       SER  56 -15.182  -2.727  -9.429
  535    H    LYS  57           HN       LYS  57 -13.241  -2.356 -11.885
  536    HA   LYS  57           HA       LYS  57 -10.695  -2.179 -13.031
  537   1HB   LYS  57           HB2      LYS  57 -13.338  -2.212 -13.944
  538   2HB   LYS  57           HB1      LYS  57 -12.674  -0.699 -14.544
  539   1HG   LYS  57           HG2      LYS  57 -11.124  -1.747 -15.875
  540   2HG   LYS  57           HG1      LYS  57 -11.108  -3.210 -14.890
  541   1HD   LYS  57           HD2      LYS  57 -13.683  -3.187 -15.741
  542   2HD   LYS  57           HD1      LYS  57 -12.866  -2.448 -17.120
  543   1HE   LYS  57           HE2      LYS  57 -11.541  -4.825 -16.012
  544   2HE   LYS  57           HE1      LYS  57 -13.124  -5.123 -16.728
  545   1HZ   LYS  57           HZ1      LYS  57 -11.304  -3.458 -18.270
  546   2HZ   LYS  57           HZ2      LYS  57 -12.378  -4.657 -18.789
  547   3HZ   LYS  57           HZ3      LYS  57 -10.881  -5.091 -18.133
  Start of MODEL    9
    1   1H    LYS  -3           HT1      LYS  -3 -10.810  12.674  -6.465
    2   2H    LYS  -3           HT2      LYS  -3 -10.589  13.026  -8.130
    3   3H    LYS  -3           HT3      LYS  -3 -10.882  14.296  -7.014
    4    HA   LYS  -3           HA       LYS  -3  -8.629  14.340  -7.513
    5   1HB   LYS  -3           HB2      LYS  -3  -9.701  13.890  -4.953
    6   2HB   LYS  -3           HB1      LYS  -3  -8.221  12.943  -5.012
    7   1HG   LYS  -3           HG2      LYS  -3  -7.058  15.028  -5.822
    8   2HG   LYS  -3           HG1      LYS  -3  -8.538  15.902  -5.420
    9   1HD   LYS  -3           HD2      LYS  -3  -8.194  15.727  -3.188
   10   2HD   LYS  -3           HD1      LYS  -3  -7.456  14.129  -3.319
   11   1HE   LYS  -3           HE2      LYS  -3  -5.596  15.658  -4.562
   12   2HE   LYS  -3           HE1      LYS  -3  -6.221  16.799  -3.373
   13   1HZ   LYS  -3           HZ1      LYS  -3  -4.292  15.052  -2.852
   14   2HZ   LYS  -3           HZ2      LYS  -3  -5.632  14.131  -2.386
   15   3HZ   LYS  -3           HZ3      LYS  -3  -5.352  15.637  -1.670
   16    H    LYS  -2           HN       LYS  -2  -7.534  13.179  -8.982
   17    HA   LYS  -2           HA       LYS  -2  -6.616  10.512  -8.195
   18   1HB   LYS  -2           HB2      LYS  -2  -7.702  11.165 -10.939
   19   2HB   LYS  -2           HB1      LYS  -2  -7.017   9.626 -10.436
   20   1HG   LYS  -2           HG2      LYS  -2  -8.982  10.013  -8.579
   21   2HG   LYS  -2           HG1      LYS  -2  -9.694  10.716 -10.032
   22   1HD   LYS  -2           HD2      LYS  -2  -9.929   8.715 -11.027
   23   2HD   LYS  -2           HD1      LYS  -2  -8.351   8.150 -10.475
   24   1HE   LYS  -2           HE2      LYS  -2  -9.218   7.111  -8.685
   25   2HE   LYS  -2           HE1      LYS  -2 -10.332   8.432  -8.339
   26   1HZ   LYS  -2           HZ1      LYS  -2 -10.730   6.041  -9.961
   27   2HZ   LYS  -2           HZ2      LYS  -2 -11.472   7.460 -10.504
   28   3HZ   LYS  -2           HZ3      LYS  -2 -11.819   6.864  -8.961
   29    H    GLU  -1           HN       GLU  -1  -6.293  13.181 -10.510
   30    HA   GLU  -1           HA       GLU  -1  -4.521  13.942 -11.726
   31   1HB   GLU  -1           HB2      GLU  -1  -2.369  13.971 -10.087
   32   2HB   GLU  -1           HB1      GLU  -1  -3.670  15.149 -10.023
   33   1HG   GLU  -1           HG2      GLU  -1  -4.757  13.765  -8.270
   34   2HG   GLU  -1           HG1      GLU  -1  -3.337  12.719  -8.279
   35    H    LYS   0           HN       LYS   0  -2.339  11.963  -9.803
   36    HA   LYS   0           HA       LYS   0  -1.470  10.653 -12.265
   37   1HB   LYS   0           HB2      LYS   0  -0.135  11.648  -9.964
   38   2HB   LYS   0           HB1      LYS   0   0.120   9.909 -10.003
   39   1HG   LYS   0           HG2      LYS   0   1.920  10.837 -11.183
   40   2HG   LYS   0           HG1      LYS   0   0.827  10.207 -12.417
   41   1HD   LYS   0           HD2      LYS   0   0.307  12.989 -11.653
   42   2HD   LYS   0           HD1      LYS   0   1.888  12.725 -12.389
   43   1HE   LYS   0           HE2      LYS   0   1.009  12.304 -14.414
   44   2HE   LYS   0           HE1      LYS   0  -0.325  11.363 -13.747
   45   1HZ   LYS   0           HZ1      LYS   0  -0.191  14.194 -14.391
   46   2HZ   LYS   0           HZ2      LYS   0  -1.025  13.800 -12.973
   47   3HZ   LYS   0           HZ3      LYS   0  -1.505  13.130 -14.450
   48    H    SER   1           HN       SER   1  -0.496   8.317 -11.652
   49    HA   SER   1           HA       SER   1  -1.845   6.710  -9.804
   50   1HB   SER   1           HB2      SER   1  -3.518   7.410 -11.931
   51   2HB   SER   1           HB1      SER   1  -2.983   5.771 -12.305
   52    HG   SER   1           HG       SER   1  -3.588   5.312 -10.035
   53    HA   PRO   2           HA       PRO   2   0.211   3.787 -13.137
   54   1HB   PRO   2           HB2      PRO   2   1.553   5.195 -15.113
   55   2HB   PRO   2           HB1      PRO   2  -0.027   4.431 -15.306
   56   1HG   PRO   2           HG2      PRO   2   0.644   7.286 -14.735
   57   2HG   PRO   2           HG1      PRO   2  -0.616   6.616 -15.789
   58   1HD   PRO   2           HD2      PRO   2  -1.203   7.597 -13.370
   59   2HD   PRO   2           HD1      PRO   2  -2.039   6.167 -14.012
   60    H    LYS   3           HN       LYS   3   2.616   3.489 -13.785
   61    HA   LYS   3           HA       LYS   3   4.799   3.474 -13.155
   62   1HB   LYS   3           HB2      LYS   3   4.203   6.122 -13.589
   63   2HB   LYS   3           HB1      LYS   3   4.855   6.151 -11.956
   64   1HG   LYS   3           HG2      LYS   3   6.664   4.573 -13.241
   65   2HG   LYS   3           HG1      LYS   3   6.198   5.702 -14.514
   66   1HD   LYS   3           HD2      LYS   3   7.169   6.456 -11.758
   67   2HD   LYS   3           HD1      LYS   3   8.124   6.523 -13.240
   68   1HE   LYS   3           HE2      LYS   3   5.726   8.176 -12.494
   69   2HE   LYS   3           HE1      LYS   3   7.364   8.727 -12.841
   70   1HZ   LYS   3           HZ1      LYS   3   6.060   9.195 -14.735
   71   2HZ   LYS   3           HZ2      LYS   3   5.375   7.648 -14.756
   72   3HZ   LYS   3           HZ3      LYS   3   7.008   7.856 -15.146
   73    H    GLY   4           HN       GLY   4   4.681   1.974 -11.525
   74   1HA   GLY   4           HA2      GLY   4   4.973   3.048  -8.828
   75   2HA   GLY   4           HA1      GLY   4   3.637   1.937  -9.084
   76    H    LYS   5           HN       LYS   5   7.083   2.080  -9.997
   77    HA   LYS   5           HA       LYS   5   7.398  -0.610  -8.848
   78   1HB   LYS   5           HB2      LYS   5   8.517   0.369 -11.480
   79   2HB   LYS   5           HB1      LYS   5   8.952  -1.152 -10.714
   80   1HG   LYS   5           HG2      LYS   5   6.635  -1.906 -10.890
   81   2HG   LYS   5           HG1      LYS   5   6.202  -0.380 -11.665
   82   1HD   LYS   5           HD2      LYS   5   8.283  -1.181 -13.213
   83   2HD   LYS   5           HD1      LYS   5   7.580  -2.735 -12.758
   84   1HE   LYS   5           HE2      LYS   5   5.352  -1.340 -13.391
   85   2HE   LYS   5           HE1      LYS   5   6.517  -0.604 -14.489
   86   1HZ   LYS   5           HZ1      LYS   5   7.019  -2.732 -15.412
   87   2HZ   LYS   5           HZ2      LYS   5   5.337  -2.548 -15.428
   88   3HZ   LYS   5           HZ3      LYS   5   6.069  -3.529 -14.261
   89    H    SER   6           HN       SER   6   9.275  -0.988  -7.747
   90    HA   SER   6           HA       SER   6  11.149  -0.522  -6.546
   91   1HB   SER   6           HB2      SER   6  12.256  -0.423  -8.702
   92   2HB   SER   6           HB1      SER   6  11.724   1.241  -8.939
   93    HG   SER   6           HG       SER   6  13.358   0.429  -6.772
   94    H    SER   7           HN       SER   7   9.251   0.614  -5.306
   95    HA   SER   7           HA       SER   7   9.906   3.465  -4.980
   96   1HB   SER   7           HB2      SER   7   7.378   1.935  -4.341
   97   2HB   SER   7           HB1      SER   7   7.659   3.604  -3.845
   98    HG   SER   7           HG       SER   7   6.558   3.000  -6.006
   99    H    ILE   8           HN       ILE   8   9.780   0.378  -3.399
  100    HA   ILE   8           HA       ILE   8  11.127   1.521  -1.090
  101    HB   ILE   8           HB       ILE   8   8.614   1.510  -0.644
  102   1HG1  ILE   8          HG12      ILE   8  10.119  -0.191   1.325
  103   2HG1  ILE   8          HG11      ILE   8  10.576   1.487   1.048
  104   1HG2  ILE   8          HG21      ILE   8   9.087  -1.461  -0.426
  105   2HG2  ILE   8          HG22      ILE   8   8.116  -0.659  -1.659
  106   3HG2  ILE   8          HG23      ILE   8   7.613  -0.606   0.030
  107   1HD1  ILE   8          HD11      ILE   8   9.146   1.408   2.944
  108   2HD1  ILE   8          HD12      ILE   8   7.947   0.453   2.072
  109   3HD1  ILE   8          HD13      ILE   8   8.238   2.133   1.618
  110    H    SER   9           HN       SER   9  11.901  -0.214   0.411
  111    HA   SER   9           HA       SER   9  13.474  -2.092  -0.869
  112   1HB   SER   9           HB2      SER   9  12.744  -2.989   1.791
  113   2HB   SER   9           HB1      SER   9  14.282  -2.343   1.217
  114    HG   SER   9           HG       SER   9  12.056  -0.947   2.254
  115    HA   PRO  10           HA       PRO  10  11.285  -5.922  -1.566
  116   1HB   PRO  10           HB2      PRO  10  11.661  -7.533   0.690
  117   2HB   PRO  10           HB1      PRO  10  12.712  -7.485  -0.729
  118   1HG   PRO  10           HG2      PRO  10  12.994  -6.079   1.891
  119   2HG   PRO  10           HG1      PRO  10  14.246  -6.832   0.881
  120   1HD   PRO  10           HD2      PRO  10  13.965  -4.197   0.922
  121   2HD   PRO  10           HD1      PRO  10  14.286  -5.028  -0.613
  122    H    GLN  11           HN       GLN  11  10.891  -4.402   1.529
  123    HA   GLN  11           HA       GLN  11   8.615  -5.575   2.544
  124   1HB   GLN  11           HB2      GLN  11   9.440  -2.667   2.564
  125   2HB   GLN  11           HB1      GLN  11   8.175  -3.346   3.584
  126   1HG   GLN  11           HG2      GLN  11   9.661  -4.047   5.071
  127   2HG   GLN  11           HG1      GLN  11  10.600  -4.871   3.829
  128   1HE2  GLN  11          HE21      GLN  11   9.919  -1.422   4.010
  129   2HE2  GLN  11          HE22      GLN  11  11.562  -0.925   4.244
  130    H    ALA  12           HN       ALA  12   8.939  -3.590  -0.292
  131    HA   ALA  12           HA       ALA  12   6.437  -2.491  -0.595
  132   1HB   ALA  12           HB1      ALA  12   8.594  -2.725  -2.207
  133   2HB   ALA  12           HB2      ALA  12   7.019  -2.147  -2.752
  134   3HB   ALA  12           HB3      ALA  12   7.477  -3.831  -3.008
  135    H    ARG  13           HN       ARG  13   7.454  -5.745  -1.608
  136    HA   ARG  13           HA       ARG  13   4.728  -6.573  -2.073
  137   1HB   ARG  13           HB2      ARG  13   5.649  -8.643  -2.830
  138   2HB   ARG  13           HB1      ARG  13   6.677  -7.360  -3.454
  139   1HG   ARG  13           HG2      ARG  13   8.015  -7.874  -1.220
  140   2HG   ARG  13           HG1      ARG  13   7.256  -9.450  -1.435
  141   1HD   ARG  13           HD2      ARG  13   8.320  -8.476  -3.930
  142   2HD   ARG  13           HD1      ARG  13   9.566  -8.482  -2.683
  143    HE   ARG  13           HE       ARG  13   8.418 -10.919  -2.426
  144   1HH1  ARG  13          HH11      ARG  13   9.754  -9.181  -5.142
  145   2HH1  ARG  13          HH12      ARG  13  10.260 -10.614  -5.971
  146   1HH2  ARG  13          HH21      ARG  13   9.082 -12.806  -3.515
  147   2HH2  ARG  13          HH22      ARG  13   9.877 -12.673  -5.049
  148    H    ALA  14           HN       ALA  14   7.230  -7.037   0.363
  149    HA   ALA  14           HA       ALA  14   5.963  -9.091   1.825
  150   1HB   ALA  14           HB1      ALA  14   8.380  -7.773   1.952
  151   2HB   ALA  14           HB2      ALA  14   7.810  -9.013   3.070
  152   3HB   ALA  14           HB3      ALA  14   7.579  -7.308   3.453
  153    H    PHE  15           HN       PHE  15   6.096  -5.583   2.455
  154    HA   PHE  15           HA       PHE  15   4.405  -5.597   4.668
  155   1HB   PHE  15           HB2      PHE  15   4.637  -3.336   4.648
  156   2HB   PHE  15           HB1      PHE  15   5.894  -3.691   3.476
  157    HD1  PHE  15           HD1      PHE  15   2.228  -2.988   3.604
  158    HD2  PHE  15           HD2      PHE  15   5.894  -2.512   1.500
  159    HE1  PHE  15           HE1      PHE  15   1.099  -1.538   1.970
  160    HE2  PHE  15           HE2      PHE  15   4.771  -1.064  -0.139
  161    HZ   PHE  15           HZ       PHE  15   2.370  -0.575   0.097
  162    H    LEU  16           HN       LEU  16   3.655  -4.953   1.255
  163    HA   LEU  16           HA       LEU  16   0.865  -4.743   1.624
  164   1HB   LEU  16           HB2      LEU  16   1.826  -3.891  -0.389
  165   2HB   LEU  16           HB1      LEU  16   2.536  -5.444  -0.785
  166    HG   LEU  16           HG       LEU  16  -0.091  -6.116  -0.729
  167   1HD1  LEU  16          HD11      LEU  16  -0.552  -3.630  -0.324
  168   2HD1  LEU  16          HD12      LEU  16  -1.475  -4.452  -1.581
  169   3HD1  LEU  16          HD13      LEU  16  -0.120  -3.414  -2.019
  170   1HD2  LEU  16          HD21      LEU  16   0.090  -5.540  -3.295
  171   2HD2  LEU  16          HD22      LEU  16   1.051  -6.829  -2.574
  172   3HD2  LEU  16          HD23      LEU  16   1.778  -5.251  -2.875
  173    H    GLU  17           HN       GLU  17   3.038  -7.444   1.170
  174    HA   GLU  17           HA       GLU  17   1.255  -9.457   0.475
  175   1HB   GLU  17           HB2      GLU  17   3.918  -9.306   1.675
  176   2HB   GLU  17           HB1      GLU  17   3.000 -10.698   2.235
  177   1HG   GLU  17           HG2      GLU  17   2.650 -10.548  -0.559
  178   2HG   GLU  17           HG1      GLU  17   4.367 -10.321  -0.232
  179    H    GLN  18           HN       GLN  18   2.444  -8.872   3.762
  180    HA   GLN  18           HA       GLN  18   0.483 -10.411   5.027
  181   1HB   GLN  18           HB2      GLN  18   1.123  -8.829   7.040
  182   2HB   GLN  18           HB1      GLN  18   2.245 -10.034   6.427
  183   1HG   GLN  18           HG2      GLN  18   3.719  -8.501   5.765
  184   2HG   GLN  18           HG1      GLN  18   2.475  -7.452   5.093
  185   1HE2  GLN  18          HE21      GLN  18   0.942  -6.891   7.264
  186   2HE2  GLN  18          HE22      GLN  18   1.868  -6.015   8.439
  187    H    VAL  19           HN       VAL  19   0.403  -7.137   3.849
  188    HA   VAL  19           HA       VAL  19  -1.853  -6.274   5.376
  189    HB   VAL  19           HB       VAL  19  -0.781  -5.244   2.742
  190   1HG1  VAL  19          HG11      VAL  19  -2.038  -3.126   3.731
  191   2HG1  VAL  19          HG12      VAL  19  -3.054  -4.379   4.443
  192   3HG1  VAL  19          HG13      VAL  19  -2.852  -4.296   2.692
  193   1HG2  VAL  19          HG21      VAL  19  -0.469  -3.605   5.136
  194   2HG2  VAL  19          HG22      VAL  19   0.697  -4.018   3.882
  195   3HG2  VAL  19          HG23      VAL  19   0.398  -5.139   5.209
  196    H    PHE  20           HN       PHE  20  -1.591  -7.013   1.905
  197    HA   PHE  20           HA       PHE  20  -4.390  -7.222   1.504
  198   1HB   PHE  20           HB2      PHE  20  -2.841  -6.654  -0.302
  199   2HB   PHE  20           HB1      PHE  20  -2.088  -8.240  -0.175
  200    HD1  PHE  20           HD1      PHE  20  -4.980  -6.365  -1.365
  201    HD2  PHE  20           HD2      PHE  20  -3.229 -10.225  -0.990
  202    HE1  PHE  20           HE1      PHE  20  -6.587  -7.249  -3.005
  203    HE2  PHE  20           HE2      PHE  20  -4.833 -11.116  -2.629
  204    HZ   PHE  20           HZ       PHE  20  -6.514  -9.628  -3.639
  205    H    ARG  21           HN       ARG  21  -2.193  -9.346   2.924
  206    HA   ARG  21           HA       ARG  21  -3.522 -11.788   2.121
  207   1HB   ARG  21           HB2      ARG  21  -1.239 -12.106   2.396
  208   2HB   ARG  21           HB1      ARG  21  -1.165 -11.051   3.796
  209   1HG   ARG  21           HG2      ARG  21  -2.759 -13.209   4.582
  210   2HG   ARG  21           HG1      ARG  21  -1.414 -13.902   3.673
  211   1HD   ARG  21           HD2      ARG  21   0.160 -13.142   5.143
  212   2HD   ARG  21           HD1      ARG  21  -0.818 -11.761   5.638
  213    HE   ARG  21           HE       ARG  21  -2.202 -13.869   6.614
  214   1HH1  ARG  21          HH11      ARG  21   1.142 -12.900   6.870
  215   2HH1  ARG  21          HH12      ARG  21   1.358 -13.614   8.432
  216   1HH2  ARG  21          HH21      ARG  21  -1.919 -14.808   8.669
  217   2HH2  ARG  21          HH22      ARG  21  -0.378 -14.697   9.453
  218    H    ARG  22           HN       ARG  22  -3.359  -9.656   4.917
  219    HA   ARG  22           HA       ARG  22  -4.723 -11.288   6.758
  220   1HB   ARG  22           HB2      ARG  22  -4.396  -8.306   6.498
  221   2HB   ARG  22           HB1      ARG  22  -5.318  -9.024   7.810
  222   1HG   ARG  22           HG2      ARG  22  -3.457  -9.942   8.804
  223   2HG   ARG  22           HG1      ARG  22  -2.531  -9.951   7.301
  224   1HD   ARG  22           HD2      ARG  22  -1.734  -8.254   8.906
  225   2HD   ARG  22           HD1      ARG  22  -2.290  -7.551   7.387
  226    HE   ARG  22           HE       ARG  22  -3.884  -6.422   8.560
  227   1HH1  ARG  22          HH11      ARG  22  -2.802  -9.115  10.498
  228   2HH1  ARG  22          HH12      ARG  22  -3.737  -8.657  11.881
  229   1HH2  ARG  22          HH21      ARG  22  -5.118  -5.819  10.378
  230   2HH2  ARG  22          HH22      ARG  22  -5.053  -6.787  11.813
  231    H    LYS  23           HN       LYS  23  -5.798  -9.079   4.277
  232    HA   LYS  23           HA       LYS  23  -8.394 -10.282   4.172
  233   1HB   LYS  23           HB2      LYS  23  -9.676  -8.222   4.663
  234   2HB   LYS  23           HB1      LYS  23  -8.786  -8.810   6.059
  235   1HG   LYS  23           HG2      LYS  23  -7.003  -7.140   5.504
  236   2HG   LYS  23           HG1      LYS  23  -8.097  -6.486   4.290
  237   1HD   LYS  23           HD2      LYS  23  -7.973  -5.474   6.729
  238   2HD   LYS  23           HD1      LYS  23  -9.494  -5.560   5.847
  239   1HE   LYS  23           HE2      LYS  23  -9.758  -6.306   8.157
  240   2HE   LYS  23           HE1      LYS  23 -10.074  -7.614   7.017
  241   1HZ   LYS  23           HZ1      LYS  23  -8.134  -7.469   9.087
  242   2HZ   LYS  23           HZ2      LYS  23  -7.387  -7.773   7.600
  243   3HZ   LYS  23           HZ3      LYS  23  -8.608  -8.801   8.159
  244    H    GLN  24           HN       GLN  24  -9.415  -7.604   2.988
  245    HA   GLN  24           HA       GLN  24  -7.693  -7.390   0.655
  246   1HB   GLN  24           HB2      GLN  24 -10.602  -7.862   0.142
  247   2HB   GLN  24           HB1      GLN  24  -9.233  -8.081  -0.938
  248   1HG   GLN  24           HG2      GLN  24  -9.669  -9.825   1.465
  249   2HG   GLN  24           HG1      GLN  24 -10.404 -10.166  -0.100
  250   1HE2  GLN  24          HE21      GLN  24  -8.538 -11.797   1.324
  251   2HE2  GLN  24          HE22      GLN  24  -7.129 -11.951   0.327
  252    H    SER  25           HN       SER  25 -10.718  -6.364   2.185
  253    HA   SER  25           HA       SER  25 -10.459  -3.762   0.865
  254   1HB   SER  25           HB2      SER  25 -12.621  -4.914   0.655
  255   2HB   SER  25           HB1      SER  25 -12.791  -4.906   2.411
  256    HG   SER  25           HG       SER  25 -12.532  -2.584   0.798
  257    H    LEU  26           HN       LEU  26  -8.861  -2.785   2.126
  258    HA   LEU  26           HA       LEU  26  -9.277  -2.507   4.991
  259   1HB   LEU  26           HB2      LEU  26  -7.202  -1.032   3.393
  260   2HB   LEU  26           HB1      LEU  26  -7.165  -1.466   5.088
  261    HG   LEU  26           HG       LEU  26  -6.651  -3.217   2.702
  262   1HD1  LEU  26          HD11      LEU  26  -4.532  -2.943   3.293
  263   2HD1  LEU  26          HD12      LEU  26  -4.876  -3.568   4.906
  264   3HD1  LEU  26          HD13      LEU  26  -5.038  -1.844   4.576
  265   1HD2  LEU  26          HD21      LEU  26  -6.631  -5.151   4.141
  266   2HD2  LEU  26          HD22      LEU  26  -8.220  -4.392   4.204
  267   3HD2  LEU  26          HD23      LEU  26  -7.082  -4.164   5.531
  268    H    ASN  27           HN       ASN  27 -10.232  -0.786   5.951
  269    HA   ASN  27           HA       ASN  27 -11.200   1.343   4.198
  270   1HB   ASN  27           HB2      ASN  27 -12.882   1.777   5.777
  271   2HB   ASN  27           HB1      ASN  27 -12.714   0.028   5.800
  272   1HD2  ASN  27          HD21      ASN  27 -11.466  -0.910   7.535
  273   2HD2  ASN  27          HD22      ASN  27 -11.417  -0.116   9.073
  274    H    SER  28           HN       SER  28 -11.500   3.501   5.695
  275    HA   SER  28           HA       SER  28  -9.039   4.747   5.725
  276   1HB   SER  28           HB2      SER  28 -10.937   6.147   5.704
  277   2HB   SER  28           HB1      SER  28 -11.616   5.389   7.147
  278    HG   SER  28           HG       SER  28 -10.301   6.536   8.392
  279    H    LYS  29           HN       LYS  29 -10.548   2.837   8.196
  280    HA   LYS  29           HA       LYS  29  -8.779   3.645  10.308
  281   1HB   LYS  29           HB2      LYS  29 -10.923   1.598   9.956
  282   2HB   LYS  29           HB1      LYS  29  -9.804   1.420  11.296
  283   1HG   LYS  29           HG2      LYS  29 -12.042   2.650  11.660
  284   2HG   LYS  29           HG1      LYS  29 -10.569   3.308  12.368
  285   1HD   LYS  29           HD2      LYS  29 -11.632   5.169  11.442
  286   2HD   LYS  29           HD1      LYS  29 -10.430   4.737  10.228
  287   1HE   LYS  29           HE2      LYS  29 -11.989   4.211   8.702
  288   2HE   LYS  29           HE1      LYS  29 -13.010   3.395   9.889
  289   1HZ   LYS  29           HZ1      LYS  29 -14.022   5.388  10.494
  290   2HZ   LYS  29           HZ2      LYS  29 -13.908   5.497   8.810
  291   3HZ   LYS  29           HZ3      LYS  29 -12.816   6.342   9.787
  292    H    GLU  30           HN       GLU  30  -9.122   0.777   8.264
  293    HA   GLU  30           HA       GLU  30  -6.830  -0.531   9.327
  294   1HB   GLU  30           HB2      GLU  30  -8.376  -0.995   6.771
  295   2HB   GLU  30           HB1      GLU  30  -7.100  -2.050   7.369
  296   1HG   GLU  30           HG2      GLU  30  -8.554  -2.164   9.513
  297   2HG   GLU  30           HG1      GLU  30  -9.842  -1.590   8.455
  298    H    LYS  31           HN       LYS  31  -7.483   1.559   6.582
  299    HA   LYS  31           HA       LYS  31  -5.032   1.238   5.259
  300   1HB   LYS  31           HB2      LYS  31  -5.756   2.927   3.898
  301   2HB   LYS  31           HB1      LYS  31  -7.276   2.500   4.646
  302   1HG   LYS  31           HG2      LYS  31  -7.092   4.340   6.188
  303   2HG   LYS  31           HG1      LYS  31  -5.487   4.732   5.564
  304   1HD   LYS  31           HD2      LYS  31  -6.374   5.363   3.456
  305   2HD   LYS  31           HD1      LYS  31  -7.967   4.720   3.859
  306   1HE   LYS  31           HE2      LYS  31  -8.478   6.819   4.438
  307   2HE   LYS  31           HE1      LYS  31  -7.518   6.510   5.884
  308   1HZ   LYS  31           HZ1      LYS  31  -5.607   7.236   4.201
  309   2HZ   LYS  31           HZ2      LYS  31  -6.446   8.342   5.166
  310   3HZ   LYS  31           HZ3      LYS  31  -6.889   8.126   3.547
  311    H    GLU  32           HN       GLU  32  -6.019   3.193   7.985
  312    HA   GLU  32           HA       GLU  32  -3.443   4.543   8.112
  313   1HB   GLU  32           HB2      GLU  32  -4.398   5.891   9.832
  314   2HB   GLU  32           HB1      GLU  32  -5.632   5.703   8.592
  315   1HG   GLU  32           HG2      GLU  32  -6.844   4.148   9.903
  316   2HG   GLU  32           HG1      GLU  32  -5.528   4.002  11.066
  317    H    GLU  33           HN       GLU  33  -5.286   2.080   9.796
  318    HA   GLU  33           HA       GLU  33  -3.452   1.768  11.967
  319   1HB   GLU  33           HB2      GLU  33  -5.723   0.088  10.910
  320   2HB   GLU  33           HB1      GLU  33  -4.788  -0.357  12.327
  321   1HG   GLU  33           HG2      GLU  33  -5.892   2.366  12.337
  322   2HG   GLU  33           HG1      GLU  33  -7.070   1.057  12.406
  323    H    VAL  34           HN       VAL  34  -3.955   0.292   8.847
  324    HA   VAL  34           HA       VAL  34  -2.037  -1.822   9.246
  325    HB   VAL  34           HB       VAL  34  -3.459  -0.870   6.748
  326   1HG1  VAL  34          HG11      VAL  34  -2.598  -2.652   5.555
  327   2HG1  VAL  34          HG12      VAL  34  -2.122  -3.533   7.005
  328   3HG1  VAL  34          HG13      VAL  34  -1.201  -2.121   6.487
  329   1HG2  VAL  34          HG21      VAL  34  -4.003  -3.487   8.039
  330   2HG2  VAL  34          HG22      VAL  34  -5.085  -2.409   7.157
  331   3HG2  VAL  34          HG23      VAL  34  -4.633  -2.037   8.820
  332    H    ALA  35           HN       ALA  35  -2.136   1.335   7.695
  333    HA   ALA  35           HA       ALA  35   0.334   1.157   6.349
  334   1HB   ALA  35           HB1      ALA  35  -0.806   2.897   5.508
  335   2HB   ALA  35           HB2      ALA  35   0.118   3.792   6.706
  336   3HB   ALA  35           HB3      ALA  35  -1.541   3.311   7.053
  337    H    LYS  36           HN       LYS  36  -0.476   1.957   9.647
  338    HA   LYS  36           HA       LYS  36   2.159   3.018  10.209
  339   1HB   LYS  36           HB2      LYS  36   1.328   3.438  12.432
  340   2HB   LYS  36           HB1      LYS  36   0.135   3.967  11.255
  341   1HG   LYS  36           HG2      LYS  36  -1.143   1.912  11.632
  342   2HG   LYS  36           HG1      LYS  36   0.046   1.405  12.833
  343   1HD   LYS  36           HD2      LYS  36  -0.472   3.649  13.983
  344   2HD   LYS  36           HD1      LYS  36  -1.909   3.676  12.961
  345   1HE   LYS  36           HE2      LYS  36  -2.791   1.750  13.954
  346   2HE   LYS  36           HE1      LYS  36  -1.237   1.288  14.647
  347   1HZ   LYS  36           HZ1      LYS  36  -2.793   2.187  16.299
  348   2HZ   LYS  36           HZ2      LYS  36  -2.816   3.664  15.475
  349   3HZ   LYS  36           HZ3      LYS  36  -1.382   3.114  16.183
  350    H    LYS  37           HN       LYS  37   0.613  -0.059  10.355
  351    HA   LYS  37           HA       LYS  37   2.682  -1.060  12.182
  352   1HB   LYS  37           HB2      LYS  37   1.294  -2.989  12.540
  353   2HB   LYS  37           HB1      LYS  37   0.306  -1.547  12.734
  354   1HG   LYS  37           HG2      LYS  37  -0.657  -1.861  10.549
  355   2HG   LYS  37           HG1      LYS  37   0.407  -3.234  10.242
  356   1HD   LYS  37           HD2      LYS  37  -1.285  -3.335  12.677
  357   2HD   LYS  37           HD1      LYS  37  -2.093  -3.527  11.120
  358   1HE   LYS  37           HE2      LYS  37   0.365  -5.106  11.777
  359   2HE   LYS  37           HE1      LYS  37  -1.218  -5.627  12.351
  360   1HZ   LYS  37           HZ1      LYS  37  -0.116  -5.667   9.671
  361   2HZ   LYS  37           HZ2      LYS  37  -1.729  -5.166   9.773
  362   3HZ   LYS  37           HZ3      LYS  37  -1.274  -6.676  10.383
  363    H    CYS  38           HN       CYS  38   1.552  -1.247   8.907
  364    HA   CYS  38           HA       CYS  38   3.311  -3.503   8.334
  365   1HB   CYS  38           HB2      CYS  38   1.391  -2.040   6.515
  366   2HB   CYS  38           HB1      CYS  38   2.257  -3.524   6.129
  367    HG   CYS  38           HG       CYS  38  -0.153  -3.317   8.057
  368    H    GLY  39           HN       GLY  39   3.109  -0.053   7.881
  369   1HA   GLY  39           HA2      GLY  39   5.247   1.093   7.602
  370   2HA   GLY  39           HA1      GLY  39   5.716  -0.185   6.493
  371    H    ILE  40           HN       ILE  40   2.505   1.143   6.339
  372    HA   ILE  40           HA       ILE  40   3.255   2.479   3.825
  373    HB   ILE  40           HB       ILE  40   0.391   2.109   4.167
  374   1HG1  ILE  40          HG12      ILE  40   2.002  -0.431   3.876
  375   2HG1  ILE  40          HG11      ILE  40   1.258   0.061   5.389
  376   1HG2  ILE  40          HG21      ILE  40   0.457   1.858   1.934
  377   2HG2  ILE  40          HG22      ILE  40   1.820   0.739   1.992
  378   3HG2  ILE  40          HG23      ILE  40   2.098   2.477   2.109
  379   1HD1  ILE  40          HD11      ILE  40   0.028  -1.593   3.824
  380   2HD1  ILE  40          HD12      ILE  40  -0.403  -0.139   2.924
  381   3HD1  ILE  40          HD13      ILE  40  -0.877  -0.303   4.615
  382    H    THR  41           HN       THR  41   0.937   4.028   3.503
  383    HA   THR  41           HA       THR  41   0.716   5.660   5.907
  384    HB   THR  41           HB       THR  41   1.165   7.378   3.607
  385    HG1  THR  41           HG1      THR  41   3.239   6.891   3.190
  386   1HG2  THR  41          HG21      THR  41   3.172   7.834   5.447
  387   2HG2  THR  41          HG22      THR  41   1.803   7.298   6.422
  388   3HG2  THR  41          HG23      THR  41   1.627   8.678   5.337
  389    HA   PRO  42           HA       PRO  42  -3.484   6.367   4.835
  390   1HB   PRO  42           HB2      PRO  42  -2.918   9.292   4.967
  391   2HB   PRO  42           HB1      PRO  42  -4.171   8.350   5.783
  392   1HG   PRO  42           HG2      PRO  42  -2.031   9.194   7.118
  393   2HG   PRO  42           HG1      PRO  42  -2.716   7.586   7.422
  394   1HD   PRO  42           HD2      PRO  42  -0.260   8.348   5.907
  395   2HD   PRO  42           HD1      PRO  42  -0.563   6.928   6.928
  396    H    LEU  43           HN       LEU  43  -0.983   8.053   3.089
  397    HA   LEU  43           HA       LEU  43  -2.767   8.707   0.881
  398   1HB   LEU  43           HB2      LEU  43  -0.927  10.243   1.744
  399   2HB   LEU  43           HB1      LEU  43   0.211   9.136   1.001
  400    HG   LEU  43           HG       LEU  43  -0.995   9.547  -1.189
  401   1HD1  LEU  43          HD11      LEU  43  -2.332  11.562  -1.369
  402   2HD1  LEU  43          HD12      LEU  43  -2.168  11.849   0.363
  403   3HD1  LEU  43          HD13      LEU  43  -3.063  10.444  -0.217
  404   1HD2  LEU  43          HD21      LEU  43   1.134  10.542  -0.849
  405   2HD2  LEU  43          HD22      LEU  43   0.463  11.759   0.238
  406   3HD2  LEU  43          HD23      LEU  43   0.075  11.804  -1.481
  407    H    GLN  44           HN       GLN  44  -0.415   6.333   1.797
  408    HA   GLN  44           HA       GLN  44  -0.029   5.354  -0.894
  409   1HB   GLN  44           HB2      GLN  44   0.721   3.803   1.546
  410   2HB   GLN  44           HB1      GLN  44   1.523   3.863  -0.014
  411   1HG   GLN  44           HG2      GLN  44   1.483   6.089   2.008
  412   2HG   GLN  44           HG1      GLN  44   2.814   4.962   1.755
  413   1HE2  GLN  44          HE21      GLN  44   1.830   7.984   1.131
  414   2HE2  GLN  44          HE22      GLN  44   2.683   8.293  -0.346
  415    H    VAL  45           HN       VAL  45  -1.355   3.993   2.098
  416    HA   VAL  45           HA       VAL  45  -2.430   1.660   1.360
  417    HB   VAL  45           HB       VAL  45  -4.339   2.114   2.889
  418   1HG1  VAL  45          HG11      VAL  45  -2.930   1.596   4.530
  419   2HG1  VAL  45          HG12      VAL  45  -2.200   3.201   4.481
  420   3HG1  VAL  45          HG13      VAL  45  -1.607   1.931   3.413
  421   1HG2  VAL  45          HG21      VAL  45  -3.217   4.887   2.689
  422   2HG2  VAL  45          HG22      VAL  45  -4.058   4.359   4.148
  423   3HG2  VAL  45          HG23      VAL  45  -4.896   4.355   2.596
  424    H    ARG  46           HN       ARG  46  -3.677   4.797   0.365
  425    HA   ARG  46           HA       ARG  46  -6.023   3.641  -0.847
  426   1HB   ARG  46           HB2      ARG  46  -6.096   6.070  -1.862
  427   2HB   ARG  46           HB1      ARG  46  -6.557   5.769  -0.198
  428   1HG   ARG  46           HG2      ARG  46  -4.805   6.910   0.631
  429   2HG   ARG  46           HG1      ARG  46  -3.720   6.398  -0.657
  430   1HD   ARG  46           HD2      ARG  46  -4.243   8.841  -0.646
  431   2HD   ARG  46           HD1      ARG  46  -4.612   8.016  -2.160
  432    HE   ARG  46           HE       ARG  46  -6.964   7.924  -0.849
  433   1HH1  ARG  46          HH11      ARG  46  -4.755  10.537  -1.543
  434   2HH1  ARG  46          HH12      ARG  46  -6.000  11.740  -1.595
  435   1HH2  ARG  46          HH21      ARG  46  -8.599   9.504  -0.916
  436   2HH2  ARG  46          HH22      ARG  46  -8.183  11.153  -1.238
  437    H    VAL  47           HN       VAL  47  -3.227   5.459  -2.155
  438    HA   VAL  47           HA       VAL  47  -3.770   4.741  -4.850
  439    HB   VAL  47           HB       VAL  47  -1.594   5.674  -5.371
  440   1HG1  VAL  47          HG11      VAL  47  -1.934   7.894  -4.589
  441   2HG1  VAL  47          HG12      VAL  47  -2.806   7.325  -3.165
  442   3HG1  VAL  47          HG13      VAL  47  -3.528   7.159  -4.766
  443   1HG2  VAL  47          HG21      VAL  47  -1.142   5.471  -2.405
  444   2HG2  VAL  47          HG22      VAL  47  -0.167   6.509  -3.443
  445   3HG2  VAL  47          HG23      VAL  47  -0.183   4.765  -3.703
  446    H    TRP  48           HN       TRP  48  -1.519   3.517  -2.431
  447    HA   TRP  48           HA       TRP  48  -0.173   1.671  -4.034
  448   1HB   TRP  48           HB2      TRP  48  -0.045   2.547  -1.404
  449   2HB   TRP  48           HB1      TRP  48  -0.424   0.836  -1.256
  450    HD1  TRP  48           HD1      TRP  48   2.328   3.227  -2.312
  451    HE1  TRP  48           HE1      TRP  48   4.500   1.905  -2.702
  452    HE3  TRP  48           HE3      TRP  48   0.459  -1.521  -1.998
  453    HZ2  TRP  48           HZ2      TRP  48   5.315  -0.791  -2.856
  454    HZ3  TRP  48           HZ3      TRP  48   2.004  -3.414  -2.279
  455    HH2  TRP  48           HH2      TRP  48   4.381  -3.056  -2.699
  456    H    PHE  49           HN       PHE  49  -2.896   1.111  -1.759
  457    HA   PHE  49           HA       PHE  49  -3.224  -1.604  -2.460
  458   1HB   PHE  49           HB2      PHE  49  -5.229   0.348  -1.312
  459   2HB   PHE  49           HB1      PHE  49  -5.487  -1.384  -1.441
  460    HD1  PHE  49           HD1      PHE  49  -2.279  -1.617  -0.723
  461    HD2  PHE  49           HD2      PHE  49  -5.786  -0.044   1.103
  462    HE1  PHE  49           HE1      PHE  49  -1.263  -1.933   1.498
  463    HE2  PHE  49           HE2      PHE  49  -4.777  -0.352   3.320
  464    HZ   PHE  49           HZ       PHE  49  -2.516  -1.293   3.523
  465    H    ILE  50           HN       ILE  50  -4.366   1.377  -3.898
  466    HA   ILE  50           HA       ILE  50  -6.510   0.467  -5.398
  467    HB   ILE  50           HB       ILE  50  -4.568   2.685  -5.700
  468   1HG1  ILE  50          HG12      ILE  50  -6.740   2.789  -4.437
  469   2HG1  ILE  50          HG11      ILE  50  -6.548   4.031  -5.669
  470   1HG2  ILE  50          HG21      ILE  50  -6.264   1.724  -7.996
  471   2HG2  ILE  50          HG22      ILE  50  -4.514   1.944  -7.967
  472   3HG2  ILE  50          HG23      ILE  50  -5.581   3.347  -7.890
  473   1HD1  ILE  50          HD11      ILE  50  -8.810   2.914  -5.498
  474   2HD1  ILE  50          HD12      ILE  50  -8.041   1.482  -6.183
  475   3HD1  ILE  50          HD13      ILE  50  -8.082   2.987  -7.103
  476    H    ASN  51           HN       ASN  51  -3.074   0.520  -6.339
  477    HA   ASN  51           HA       ASN  51  -3.583  -0.982  -8.744
  478   1HB   ASN  51           HB2      ASN  51  -1.232   0.291  -7.461
  479   2HB   ASN  51           HB1      ASN  51  -0.899  -1.095  -8.493
  480   1HD2  ASN  51          HD21      ASN  51  -0.224   1.714  -8.855
  481   2HD2  ASN  51          HD22      ASN  51  -0.929   2.185 -10.369
  482    H    LYS  52           HN       LYS  52  -2.595  -1.634  -5.473
  483    HA   LYS  52           HA       LYS  52  -1.929  -4.409  -6.102
  484   1HB   LYS  52           HB2      LYS  52  -1.645  -2.696  -3.645
  485   2HB   LYS  52           HB1      LYS  52  -1.461  -4.441  -3.561
  486   1HG   LYS  52           HG2      LYS  52   0.213  -2.480  -5.111
  487   2HG   LYS  52           HG1      LYS  52   0.706  -3.497  -3.758
  488   1HD   LYS  52           HD2      LYS  52   0.088  -5.477  -5.266
  489   2HD   LYS  52           HD1      LYS  52   0.091  -4.303  -6.584
  490   1HE   LYS  52           HE2      LYS  52   2.412  -3.673  -5.917
  491   2HE   LYS  52           HE1      LYS  52   2.388  -5.004  -4.760
  492   1HZ   LYS  52           HZ1      LYS  52   2.112  -5.232  -7.709
  493   2HZ   LYS  52           HZ2      LYS  52   1.989  -6.525  -6.626
  494   3HZ   LYS  52           HZ3      LYS  52   3.453  -5.694  -6.787
  495    H    ARG  53           HN       ARG  53  -4.707  -3.097  -6.067
  496    HA   ARG  53           HA       ARG  53  -6.154  -5.320  -5.144
  497   1HB   ARG  53           HB2      ARG  53  -5.475  -4.263  -2.944
  498   2HB   ARG  53           HB1      ARG  53  -6.466  -2.883  -3.395
  499   1HG   ARG  53           HG2      ARG  53  -8.203  -4.934  -3.782
  500   2HG   ARG  53           HG1      ARG  53  -7.261  -5.508  -2.408
  501   1HD   ARG  53           HD2      ARG  53  -9.219  -4.253  -1.670
  502   2HD   ARG  53           HD1      ARG  53  -7.728  -3.431  -1.210
  503    HE   ARG  53           HE       ARG  53  -8.808  -2.524  -3.711
  504   1HH1  ARG  53          HH11      ARG  53  -8.944  -2.145  -0.244
  505   2HH1  ARG  53          HH12      ARG  53  -9.549  -0.524  -0.320
  506   1HH2  ARG  53          HH21      ARG  53  -9.603  -0.394  -3.813
  507   2HH2  ARG  53          HH22      ARG  53  -9.923   0.470  -2.346
  508    H    MET  54           HN       MET  54  -5.981  -3.431  -7.404
  509    HA   MET  54           HA       MET  54  -8.028  -1.594  -7.536
  510   1HB   MET  54           HB2      MET  54  -6.221  -2.631  -9.322
  511   2HB   MET  54           HB1      MET  54  -7.752  -3.186  -9.984
  512   1HG   MET  54           HG2      MET  54  -8.445  -0.680  -9.595
  513   2HG   MET  54           HG1      MET  54  -6.703  -0.425  -9.674
  514   1HE   MET  54           HE1      MET  54  -8.176   1.134 -11.324
  515   2HE   MET  54           HE2      MET  54  -8.319   0.747 -13.038
  516   3HE   MET  54           HE3      MET  54  -6.729   1.020 -12.326
  517    H    ARG  55           HN       ARG  55  -9.819  -2.320  -6.375
  518    HA   ARG  55           HA       ARG  55 -11.182  -4.738  -6.948
  519   1HB   ARG  55           HB2      ARG  55 -11.986  -2.225  -5.490
  520   2HB   ARG  55           HB1      ARG  55 -13.072  -3.597  -5.666
  521   1HG   ARG  55           HG2      ARG  55 -10.416  -4.291  -4.649
  522   2HG   ARG  55           HG1      ARG  55 -11.343  -3.216  -3.602
  523   1HD   ARG  55           HD2      ARG  55 -12.276  -5.101  -2.828
  524   2HD   ARG  55           HD1      ARG  55 -13.226  -5.054  -4.312
  525    HE   ARG  55           HE       ARG  55 -10.938  -6.384  -4.995
  526   1HH1  ARG  55          HH11      ARG  55 -13.420  -6.822  -2.581
  527   2HH1  ARG  55          HH12      ARG  55 -13.254  -8.545  -2.543
  528   1HH2  ARG  55          HH21      ARG  55 -10.719  -8.650  -4.948
  529   2HH2  ARG  55          HH22      ARG  55 -11.721  -9.583  -3.886
  530    H    SER  56           HN       SER  56 -11.628  -1.383  -7.968
  531    HA   SER  56           HA       SER  56 -13.742  -2.250  -9.817
  532   1HB   SER  56           HB2      SER  56 -13.161   0.280  -8.388
  533   2HB   SER  56           HB1      SER  56 -13.794   0.443 -10.026
  534    HG   SER  56           HG       SER  56 -14.980  -1.114  -7.970
  535    H    LYS  57           HN       LYS  57 -13.530  -2.048 -11.990
  536    HA   LYS  57           HA       LYS  57 -10.859  -1.528 -13.000
  537   1HB   LYS  57           HB2      LYS  57 -13.365  -2.499 -14.382
  538   2HB   LYS  57           HB1      LYS  57 -11.796  -2.334 -15.160
  539   1HG   LYS  57           HG2      LYS  57 -12.356  -4.117 -12.800
  540   2HG   LYS  57           HG1      LYS  57 -12.327  -4.648 -14.483
  541   1HD   LYS  57           HD2      LYS  57 -10.021  -3.403 -12.985
  542   2HD   LYS  57           HD1      LYS  57 -10.205  -5.120 -13.352
  543   1HE   LYS  57           HE2      LYS  57 -10.513  -3.903 -15.808
  544   2HE   LYS  57           HE1      LYS  57  -9.259  -2.937 -15.031
  545   1HZ   LYS  57           HZ1      LYS  57  -9.191  -5.714 -15.903
  546   2HZ   LYS  57           HZ2      LYS  57  -8.385  -5.363 -14.458
  547   3HZ   LYS  57           HZ3      LYS  57  -7.958  -4.555 -15.881
  Start of MODEL   10
    1   1H    LYS  -3           HT1      LYS  -3  -0.259  11.254 -20.861
    2   2H    LYS  -3           HT2      LYS  -3  -1.280  11.677 -22.175
    3   3H    LYS  -3           HT3      LYS  -3  -0.307  12.874 -21.419
    4    HA   LYS  -3           HA       LYS  -3   0.732  10.515 -22.836
    5   1HB   LYS  -3           HB2      LYS  -3   1.330  12.271 -24.570
    6   2HB   LYS  -3           HB1      LYS  -3  -0.372  11.848 -24.460
    7   1HG   LYS  -3           HG2      LYS  -3  -0.973  13.886 -23.653
    8   2HG   LYS  -3           HG1      LYS  -3   0.572  14.144 -22.842
    9   1HD   LYS  -3           HD2      LYS  -3   1.184  15.448 -24.538
   10   2HD   LYS  -3           HD1      LYS  -3   1.152  14.031 -25.587
   11   1HE   LYS  -3           HE2      LYS  -3  -0.421  15.120 -26.741
   12   2HE   LYS  -3           HE1      LYS  -3  -1.502  14.711 -25.409
   13   1HZ   LYS  -3           HZ1      LYS  -3  -1.769  16.968 -25.550
   14   2HZ   LYS  -3           HZ2      LYS  -3  -0.165  17.259 -25.997
   15   3HZ   LYS  -3           HZ3      LYS  -3  -0.538  16.882 -24.392
   16    H    LYS  -2           HN       LYS  -2   2.722  10.102 -22.152
   17    HA   LYS  -2           HA       LYS  -2   4.823  10.345 -21.322
   18   1HB   LYS  -2           HB2      LYS  -2   4.371  12.624 -23.032
   19   2HB   LYS  -2           HB1      LYS  -2   5.429  13.070 -21.701
   20   1HG   LYS  -2           HG2      LYS  -2   7.026  12.318 -23.089
   21   2HG   LYS  -2           HG1      LYS  -2   6.565  10.749 -22.424
   22   1HD   LYS  -2           HD2      LYS  -2   5.163  11.842 -24.832
   23   2HD   LYS  -2           HD1      LYS  -2   6.728  11.044 -24.998
   24   1HE   LYS  -2           HE2      LYS  -2   4.632   9.672 -23.405
   25   2HE   LYS  -2           HE1      LYS  -2   4.435   9.713 -25.156
   26   1HZ   LYS  -2           HZ1      LYS  -2   6.922   8.787 -23.834
   27   2HZ   LYS  -2           HZ2      LYS  -2   6.481   8.599 -25.456
   28   3HZ   LYS  -2           HZ3      LYS  -2   5.657   7.743 -24.253
   29    H    GLU  -1           HN       GLU  -1   3.090  10.303 -19.362
   30    HA   GLU  -1           HA       GLU  -1   3.965  12.445 -17.540
   31   1HB   GLU  -1           HB2      GLU  -1   1.762  12.178 -16.375
   32   2HB   GLU  -1           HB1      GLU  -1   1.654  12.867 -17.990
   33   1HG   GLU  -1           HG2      GLU  -1   1.004  10.673 -18.869
   34   2HG   GLU  -1           HG1      GLU  -1   1.080  10.008 -17.238
   35    H    LYS   0           HN       LYS   0   3.476  11.711 -15.167
   36    HA   LYS   0           HA       LYS   0   4.052  10.346 -13.443
   37   1HB   LYS   0           HB2      LYS   0   2.297   8.914 -14.945
   38   2HB   LYS   0           HB1      LYS   0   3.684   7.834 -14.946
   39   1HG   LYS   0           HG2      LYS   0   2.723   7.072 -13.061
   40   2HG   LYS   0           HG1      LYS   0   3.590   8.428 -12.335
   41   1HD   LYS   0           HD2      LYS   0   1.636   9.796 -12.378
   42   2HD   LYS   0           HD1      LYS   0   0.764   8.619 -13.361
   43   1HE   LYS   0           HE2      LYS   0   0.833   7.020 -11.518
   44   2HE   LYS   0           HE1      LYS   0   1.734   8.176 -10.539
   45   1HZ   LYS   0           HZ1      LYS   0  -1.052   7.953 -10.874
   46   2HZ   LYS   0           HZ2      LYS   0  -0.559   9.470 -11.438
   47   3HZ   LYS   0           HZ3      LYS   0  -0.190   8.995  -9.857
   48    H    SER   1           HN       SER   1   5.989  10.996 -15.714
   49    HA   SER   1           HA       SER   1   7.825   8.776 -15.709
   50   1HB   SER   1           HB2      SER   1   9.220  10.956 -16.700
   51   2HB   SER   1           HB1      SER   1   8.302   9.794 -17.657
   52    HG   SER   1           HG       SER   1   7.715  12.012 -18.028
   53    HA   PRO   2           HA       PRO   2  10.549  11.733 -13.067
   54   1HB   PRO   2           HB2      PRO   2   9.466  14.059 -12.183
   55   2HB   PRO   2           HB1      PRO   2  10.308  13.919 -13.731
   56   1HG   PRO   2           HG2      PRO   2   7.369  13.906 -13.165
   57   2HG   PRO   2           HG1      PRO   2   8.256  14.734 -14.458
   58   1HD   PRO   2           HD2      PRO   2   6.925  12.410 -14.856
   59   2HD   PRO   2           HD1      PRO   2   8.400  12.831 -15.750
   60    H    LYS   3           HN       LYS   3   7.118  12.130 -12.183
   61    HA   LYS   3           HA       LYS   3   7.442  12.062  -9.412
   62   1HB   LYS   3           HB2      LYS   3   5.221  11.714 -11.307
   63   2HB   LYS   3           HB1      LYS   3   4.992  10.894  -9.769
   64   1HG   LYS   3           HG2      LYS   3   4.779  12.821  -8.614
   65   2HG   LYS   3           HG1      LYS   3   5.932  13.687  -9.631
   66   1HD   LYS   3           HD2      LYS   3   4.213  13.746 -11.428
   67   2HD   LYS   3           HD1      LYS   3   3.066  13.021 -10.299
   68   1HE   LYS   3           HE2      LYS   3   2.693  14.969  -9.271
   69   2HE   LYS   3           HE1      LYS   3   4.413  15.347  -9.188
   70   1HZ   LYS   3           HZ1      LYS   3   2.433  16.140 -11.159
   71   2HZ   LYS   3           HZ2      LYS   3   3.955  15.735 -11.774
   72   3HZ   LYS   3           HZ3      LYS   3   3.810  16.959 -10.616
   73    H    GLY   4           HN       GLY   4   7.837  10.492  -7.977
   74   1HA   GLY   4           HA2      GLY   4   7.138   8.019  -7.596
   75   2HA   GLY   4           HA1      GLY   4   8.142   7.760  -9.014
   76    H    LYS   5           HN       LYS   5  10.132   7.111  -8.579
   77    HA   LYS   5           HA       LYS   5  12.125   6.786  -7.532
   78   1HB   LYS   5           HB2      LYS   5  11.602   9.310  -5.974
   79   2HB   LYS   5           HB1      LYS   5  13.151   8.625  -6.445
   80   1HG   LYS   5           HG2      LYS   5  11.113   9.863  -8.282
   81   2HG   LYS   5           HG1      LYS   5  12.648  10.574  -7.780
   82   1HD   LYS   5           HD2      LYS   5  13.018   7.930  -8.900
   83   2HD   LYS   5           HD1      LYS   5  12.185   8.998 -10.030
   84   1HE   LYS   5           HE2      LYS   5  14.112  10.659  -9.178
   85   2HE   LYS   5           HE1      LYS   5  14.944   9.119  -8.974
   86   1HZ   LYS   5           HZ1      LYS   5  15.460   9.493 -11.124
   87   2HZ   LYS   5           HZ2      LYS   5  14.110  10.471 -11.413
   88   3HZ   LYS   5           HZ3      LYS   5  13.947   8.787 -11.401
   89    H    SER   6           HN       SER   6  12.984   7.345  -4.931
   90    HA   SER   6           HA       SER   6  12.864   6.629  -2.774
   91   1HB   SER   6           HB2      SER   6  10.145   7.281  -3.417
   92   2HB   SER   6           HB1      SER   6  10.165   5.831  -2.414
   93    HG   SER   6           HG       SER   6  11.087   6.936  -0.800
   94    H    SER   7           HN       SER   7  10.201   4.642  -4.016
   95    HA   SER   7           HA       SER   7   9.903   2.380  -4.012
   96   1HB   SER   7           HB2      SER   7  12.187   1.243  -4.934
   97   2HB   SER   7           HB1      SER   7  11.008   2.048  -5.969
   98    HG   SER   7           HG       SER   7  13.385   3.149  -4.883
   99    H    ILE   8           HN       ILE   8   9.695   1.950  -1.826
  100    HA   ILE   8           HA       ILE   8  11.781   1.736   0.022
  101    HB   ILE   8           HB       ILE   8   9.193   1.762   0.381
  102   1HG1  ILE   8          HG12      ILE   8  10.723  -0.065   2.214
  103   2HG1  ILE   8          HG11      ILE   8  11.131   1.643   2.085
  104   1HG2  ILE   8          HG21      ILE   8   8.789  -0.360  -0.825
  105   2HG2  ILE   8          HG22      ILE   8   8.179  -0.379   0.830
  106   3HG2  ILE   8          HG23      ILE   8   9.683  -1.213   0.434
  107   1HD1  ILE   8          HD11      ILE   8   9.383   0.639   3.857
  108   2HD1  ILE   8          HD12      ILE   8   8.289   1.044   2.535
  109   3HD1  ILE   8          HD13      ILE   8   9.318   2.290   3.242
  110    H    SER   9           HN       SER   9  12.336  -0.347   1.185
  111    HA   SER   9           HA       SER   9  13.803  -2.047  -0.438
  112   1HB   SER   9           HB2      SER   9  12.912  -3.391   1.979
  113   2HB   SER   9           HB1      SER   9  14.522  -2.804   1.560
  114    HG   SER   9           HG       SER   9  13.913  -1.634   3.307
  115    HA   PRO  10           HA       PRO  10  11.271  -5.394  -1.931
  116   1HB   PRO  10           HB2      PRO  10  11.537  -7.533  -0.161
  117   2HB   PRO  10           HB1      PRO  10  12.591  -7.206  -1.539
  118   1HG   PRO  10           HG2      PRO  10  12.975  -6.549   1.345
  119   2HG   PRO  10           HG1      PRO  10  14.167  -7.091   0.149
  120   1HD   PRO  10           HD2      PRO  10  14.040  -4.538   0.903
  121   2HD   PRO  10           HD1      PRO  10  14.373  -4.965  -0.787
  122    H    GLN  11           HN       GLN  11  11.015  -4.560   1.419
  123    HA   GLN  11           HA       GLN  11   8.692  -5.777   2.250
  124   1HB   GLN  11           HB2      GLN  11   9.620  -2.952   2.794
  125   2HB   GLN  11           HB1      GLN  11   8.372  -3.790   3.707
  126   1HG   GLN  11           HG2      GLN  11  10.000  -5.445   4.431
  127   2HG   GLN  11           HG1      GLN  11  11.252  -4.639   3.488
  128   1HE2  GLN  11          HE21      GLN  11  10.594  -1.994   4.052
  129   2HE2  GLN  11          HE22      GLN  11  10.923  -1.682   5.723
  130    H    ALA  12           HN       ALA  12   9.097  -3.225  -0.096
  131    HA   ALA  12           HA       ALA  12   6.710  -1.937  -0.180
  132   1HB   ALA  12           HB1      ALA  12   7.381  -2.867  -2.844
  133   2HB   ALA  12           HB2      ALA  12   8.802  -2.312  -1.958
  134   3HB   ALA  12           HB3      ALA  12   7.422  -1.236  -2.174
  135    H    ARG  13           HN       ARG  13   7.335  -4.982  -1.889
  136    HA   ARG  13           HA       ARG  13   4.518  -5.494  -2.261
  137   1HB   ARG  13           HB2      ARG  13   5.240  -7.476  -3.448
  138   2HB   ARG  13           HB1      ARG  13   6.228  -6.115  -3.960
  139   1HG   ARG  13           HG2      ARG  13   7.739  -7.064  -1.947
  140   2HG   ARG  13           HG1      ARG  13   6.978  -8.557  -2.495
  141   1HD   ARG  13           HD2      ARG  13   8.014  -6.791  -4.613
  142   2HD   ARG  13           HD1      ARG  13   9.235  -7.502  -3.556
  143    HE   ARG  13           HE       ARG  13   7.742  -9.635  -4.212
  144   1HH1  ARG  13          HH11      ARG  13   9.178  -7.116  -6.158
  145   2HH1  ARG  13          HH12      ARG  13   9.375  -8.131  -7.547
  146   1HH2  ARG  13          HH21      ARG  13   8.001 -10.968  -6.039
  147   2HH2  ARG  13          HH22      ARG  13   8.707 -10.316  -7.480
  148    H    ALA  14           HN       ALA  14   7.136  -6.621  -0.195
  149    HA   ALA  14           HA       ALA  14   5.841  -8.874   0.882
  150   1HB   ALA  14           HB1      ALA  14   7.691  -7.440   2.663
  151   2HB   ALA  14           HB2      ALA  14   8.336  -7.854   1.075
  152   3HB   ALA  14           HB3      ALA  14   7.701  -9.120   2.127
  153    H    PHE  15           HN       PHE  15   6.284  -5.638   2.321
  154    HA   PHE  15           HA       PHE  15   4.683  -6.038   4.550
  155   1HB   PHE  15           HB2      PHE  15   4.932  -3.785   4.977
  156   2HB   PHE  15           HB1      PHE  15   6.266  -4.046   3.872
  157    HD1  PHE  15           HD1      PHE  15   6.594  -2.418   2.300
  158    HD2  PHE  15           HD2      PHE  15   2.629  -3.156   3.655
  159    HE1  PHE  15           HE1      PHE  15   5.765  -0.600   0.866
  160    HE2  PHE  15           HE2      PHE  15   1.798  -1.351   2.215
  161    HZ   PHE  15           HZ       PHE  15   3.365  -0.067   0.819
  162    H    LEU  16           HN       LEU  16   3.834  -4.843   1.328
  163    HA   LEU  16           HA       LEU  16   1.079  -4.458   1.940
  164   1HB   LEU  16           HB2      LEU  16   2.577  -3.592  -0.050
  165   2HB   LEU  16           HB1      LEU  16   1.988  -5.041  -0.839
  166    HG   LEU  16           HG       LEU  16   0.495  -3.412  -1.545
  167   1HD1  LEU  16          HD11      LEU  16  -0.791  -4.501   0.953
  168   2HD1  LEU  16          HD12      LEU  16  -0.691  -5.340  -0.595
  169   3HD1  LEU  16          HD13      LEU  16  -1.625  -3.851  -0.458
  170   1HD2  LEU  16          HD21      LEU  16   1.378  -1.673  -0.011
  171   2HD2  LEU  16          HD22      LEU  16   0.344  -2.324   1.257
  172   3HD2  LEU  16          HD23      LEU  16  -0.375  -1.630  -0.196
  173    H    GLU  17           HN       GLU  17   3.023  -7.135   0.837
  174    HA   GLU  17           HA       GLU  17   1.075  -8.856  -0.147
  175   1HB   GLU  17           HB2      GLU  17   3.810  -9.057   0.767
  176   2HB   GLU  17           HB1      GLU  17   2.885 -10.448   1.318
  177   1HG   GLU  17           HG2      GLU  17   2.466 -11.191  -0.816
  178   2HG   GLU  17           HG1      GLU  17   2.682  -9.593  -1.529
  179    H    GLN  18           HN       GLN  18   2.455  -8.942   3.127
  180    HA   GLN  18           HA       GLN  18   0.489 -10.595   4.238
  181   1HB   GLN  18           HB2      GLN  18   1.282  -9.482   6.442
  182   2HB   GLN  18           HB1      GLN  18   2.426 -10.438   5.513
  183   1HG   GLN  18           HG2      GLN  18   3.808  -8.718   5.425
  184   2HG   GLN  18           HG1      GLN  18   2.588  -7.766   4.585
  185   1HE2  GLN  18          HE21      GLN  18   0.685  -7.598   6.621
  186   2HE2  GLN  18          HE22      GLN  18   1.326  -6.611   7.894
  187    H    VAL  19           HN       VAL  19   0.614  -7.137   3.729
  188    HA   VAL  19           HA       VAL  19  -1.476  -6.317   5.410
  189    HB   VAL  19           HB       VAL  19  -0.414  -5.210   2.817
  190   1HG1  VAL  19          HG11      VAL  19  -2.476  -4.276   2.600
  191   2HG1  VAL  19          HG12      VAL  19  -1.750  -3.104   3.698
  192   3HG1  VAL  19          HG13      VAL  19  -2.818  -4.356   4.328
  193   1HG2  VAL  19          HG21      VAL  19   0.939  -3.950   4.073
  194   2HG2  VAL  19          HG22      VAL  19   0.592  -5.125   5.340
  195   3HG2  VAL  19          HG23      VAL  19  -0.314  -3.615   5.265
  196    H    PHE  20           HN       PHE  20  -1.569  -7.044   1.928
  197    HA   PHE  20           HA       PHE  20  -4.425  -7.061   1.823
  198   1HB   PHE  20           HB2      PHE  20  -3.319  -6.458  -0.174
  199   2HB   PHE  20           HB1      PHE  20  -2.245  -7.845  -0.103
  200    HD1  PHE  20           HD1      PHE  20  -5.404  -6.572  -1.269
  201    HD2  PHE  20           HD2      PHE  20  -3.153 -10.118  -0.582
  202    HE1  PHE  20           HE1      PHE  20  -6.914  -7.816  -2.763
  203    HE2  PHE  20           HE2      PHE  20  -4.658 -11.367  -2.073
  204    HZ   PHE  20           HZ       PHE  20  -6.541 -10.216  -3.167
  205    H    ARG  21           HN       ARG  21  -2.142  -9.293   2.916
  206    HA   ARG  21           HA       ARG  21  -3.578 -11.685   2.188
  207   1HB   ARG  21           HB2      ARG  21  -0.997 -11.229   2.837
  208   2HB   ARG  21           HB1      ARG  21  -1.609 -11.758   4.394
  209   1HG   ARG  21           HG2      ARG  21  -1.192 -13.820   3.667
  210   2HG   ARG  21           HG1      ARG  21  -2.644 -13.630   2.683
  211   1HD   ARG  21           HD2      ARG  21  -1.366 -12.950   0.791
  212   2HD   ARG  21           HD1      ARG  21   0.103 -12.816   1.756
  213    HE   ARG  21           HE       ARG  21  -0.576 -15.416   2.039
  214   1HH1  ARG  21          HH11      ARG  21  -0.165 -13.360  -0.750
  215   2HH1  ARG  21          HH12      ARG  21   0.345 -14.652  -1.783
  216   1HH2  ARG  21          HH21      ARG  21   0.094 -17.117   0.681
  217   2HH2  ARG  21          HH22      ARG  21   0.490 -16.785  -0.972
  218    H    ARG  22           HN       ARG  22  -3.222  -9.609   4.999
  219    HA   ARG  22           HA       ARG  22  -4.522 -11.215   6.897
  220   1HB   ARG  22           HB2      ARG  22  -3.967  -8.299   6.611
  221   2HB   ARG  22           HB1      ARG  22  -5.141  -8.797   7.820
  222   1HG   ARG  22           HG2      ARG  22  -3.520 -10.127   8.958
  223   2HG   ARG  22           HG1      ARG  22  -2.345  -9.893   7.662
  224   1HD   ARG  22           HD2      ARG  22  -2.122  -8.479   9.809
  225   2HD   ARG  22           HD1      ARG  22  -1.948  -7.682   8.247
  226    HE   ARG  22           HE       ARG  22  -3.776  -6.424   8.756
  227   1HH1  ARG  22          HH11      ARG  22  -3.852  -9.299  10.734
  228   2HH1  ARG  22          HH12      ARG  22  -5.244  -8.796  11.632
  229   1HH2  ARG  22          HH21      ARG  22  -5.605  -5.761   9.936
  230   2HH2  ARG  22          HH22      ARG  22  -6.240  -6.786  11.179
  231    H    LYS  23           HN       LYS  23  -5.738  -8.840   4.605
  232    HA   LYS  23           HA       LYS  23  -8.313 -10.101   4.535
  233   1HB   LYS  23           HB2      LYS  23  -9.648  -8.266   5.328
  234   2HB   LYS  23           HB1      LYS  23  -8.475  -8.676   6.573
  235   1HG   LYS  23           HG2      LYS  23  -7.066  -6.795   5.787
  236   2HG   LYS  23           HG1      LYS  23  -8.342  -6.363   4.657
  237   1HD   LYS  23           HD2      LYS  23  -8.131  -5.230   7.050
  238   2HD   LYS  23           HD1      LYS  23  -9.691  -5.520   6.288
  239   1HE   LYS  23           HE2      LYS  23  -9.719  -6.204   8.627
  240   2HE   LYS  23           HE1      LYS  23  -9.933  -7.592   7.559
  241   1HZ   LYS  23           HZ1      LYS  23  -8.342  -8.463   8.865
  242   2HZ   LYS  23           HZ2      LYS  23  -7.750  -6.958   9.364
  243   3HZ   LYS  23           HZ3      LYS  23  -7.289  -7.594   7.865
  244    H    GLN  24           HN       GLN  24  -9.667  -7.717   3.492
  245    HA   GLN  24           HA       GLN  24  -8.048  -7.095   1.130
  246   1HB   GLN  24           HB2      GLN  24 -10.926  -7.930   0.866
  247   2HB   GLN  24           HB1      GLN  24  -9.727  -7.744  -0.405
  248   1HG   GLN  24           HG2      GLN  24  -9.368  -9.793   1.741
  249   2HG   GLN  24           HG1      GLN  24 -10.411 -10.109   0.354
  250   1HE2  GLN  24          HE21      GLN  24  -7.369 -10.464   1.533
  251   2HE2  GLN  24          HE22      GLN  24  -6.501 -10.655   0.045
  252    H    SER  25           HN       SER  25 -11.121  -6.528   2.780
  253    HA   SER  25           HA       SER  25 -11.512  -3.984   1.529
  254   1HB   SER  25           HB2      SER  25 -13.360  -5.499   2.259
  255   2HB   SER  25           HB1      SER  25 -12.953  -5.111   3.931
  256    HG   SER  25           HG       SER  25 -13.256  -2.839   3.216
  257    H    LEU  26           HN       LEU  26  -9.370  -3.107   2.202
  258    HA   LEU  26           HA       LEU  26  -9.063  -2.340   4.973
  259   1HB   LEU  26           HB2      LEU  26  -7.516  -1.547   2.498
  260   2HB   LEU  26           HB1      LEU  26  -7.100  -1.044   4.122
  261    HG   LEU  26           HG       LEU  26  -6.487  -3.523   2.726
  262   1HD1  LEU  26          HD11      LEU  26  -5.184  -3.261   5.242
  263   2HD1  LEU  26          HD12      LEU  26  -5.264  -1.672   4.484
  264   3HD1  LEU  26          HD13      LEU  26  -4.526  -3.022   3.624
  265   1HD2  LEU  26          HD21      LEU  26  -6.698  -4.982   4.706
  266   2HD2  LEU  26          HD22      LEU  26  -8.255  -4.483   4.048
  267   3HD2  LEU  26          HD23      LEU  26  -7.630  -3.716   5.507
  268    H    ASN  27           HN       ASN  27 -10.195  -0.701   5.824
  269    HA   ASN  27           HA       ASN  27 -11.186   1.405   4.042
  270   1HB   ASN  27           HB2      ASN  27 -12.146   1.747   6.718
  271   2HB   ASN  27           HB1      ASN  27 -13.056   1.341   5.269
  272   1HD2  ASN  27          HD21      ASN  27 -11.387   0.083   8.057
  273   2HD2  ASN  27          HD22      ASN  27 -12.091  -1.500   8.009
  274    H    SER  28           HN       SER  28 -11.470   3.575   5.515
  275    HA   SER  28           HA       SER  28  -8.980   4.771   5.600
  276   1HB   SER  28           HB2      SER  28 -11.672   5.450   6.633
  277   2HB   SER  28           HB1      SER  28 -10.320   6.310   7.378
  278    HG   SER  28           HG       SER  28 -10.789   6.133   4.583
  279    H    LYS  29           HN       LYS  29 -10.559   2.811   7.960
  280    HA   LYS  29           HA       LYS  29  -8.895   3.563  10.171
  281   1HB   LYS  29           HB2      LYS  29 -10.662   1.145   9.809
  282   2HB   LYS  29           HB1      LYS  29 -10.032   1.756  11.329
  283   1HG   LYS  29           HG2      LYS  29 -12.073   2.696  11.460
  284   2HG   LYS  29           HG1      LYS  29 -11.314   3.946  10.476
  285   1HD   LYS  29           HD2      LYS  29 -12.209   1.950   8.699
  286   2HD   LYS  29           HD1      LYS  29 -13.523   2.231   9.843
  287   1HE   LYS  29           HE2      LYS  29 -12.091   4.365   8.260
  288   2HE   LYS  29           HE1      LYS  29 -13.674   3.687   7.865
  289   1HZ   LYS  29           HZ1      LYS  29 -14.435   4.479  10.076
  290   2HZ   LYS  29           HZ2      LYS  29 -14.004   5.725   9.016
  291   3HZ   LYS  29           HZ3      LYS  29 -12.955   5.277  10.265
  292    H    GLU  30           HN       GLU  30  -9.154   0.724   8.057
  293    HA   GLU  30           HA       GLU  30  -6.875  -0.568   9.172
  294   1HB   GLU  30           HB2      GLU  30  -8.102  -1.088   6.464
  295   2HB   GLU  30           HB1      GLU  30  -7.146  -2.195   7.441
  296   1HG   GLU  30           HG2      GLU  30  -9.433  -1.305   8.922
  297   2HG   GLU  30           HG1      GLU  30  -9.935  -1.936   7.355
  298    H    LYS  31           HN       LYS  31  -7.489   1.541   6.437
  299    HA   LYS  31           HA       LYS  31  -5.013   1.257   5.153
  300   1HB   LYS  31           HB2      LYS  31  -5.721   2.965   3.806
  301   2HB   LYS  31           HB1      LYS  31  -7.257   2.535   4.526
  302   1HG   LYS  31           HG2      LYS  31  -7.094   4.349   6.095
  303   2HG   LYS  31           HG1      LYS  31  -5.470   4.737   5.515
  304   1HD   LYS  31           HD2      LYS  31  -6.326   5.359   3.364
  305   2HD   LYS  31           HD1      LYS  31  -7.948   4.815   3.801
  306   1HE   LYS  31           HE2      LYS  31  -8.196   6.569   5.386
  307   2HE   LYS  31           HE1      LYS  31  -6.489   6.996   5.279
  308   1HZ   LYS  31           HZ1      LYS  31  -7.995   7.117   2.795
  309   2HZ   LYS  31           HZ2      LYS  31  -6.807   8.161   3.394
  310   3HZ   LYS  31           HZ3      LYS  31  -8.398   8.278   3.958
  311    H    GLU  32           HN       GLU  32  -6.065   3.185   7.884
  312    HA   GLU  32           HA       GLU  32  -3.490   4.531   8.074
  313   1HB   GLU  32           HB2      GLU  32  -4.478   5.895   9.743
  314   2HB   GLU  32           HB1      GLU  32  -5.712   5.671   8.513
  315   1HG   GLU  32           HG2      GLU  32  -6.881   4.096   9.859
  316   2HG   GLU  32           HG1      GLU  32  -5.569   4.041  11.035
  317    H    GLU  33           HN       GLU  33  -5.359   2.048   9.691
  318    HA   GLU  33           HA       GLU  33  -3.572   1.733  11.904
  319   1HB   GLU  33           HB2      GLU  33  -5.822   0.060  10.794
  320   2HB   GLU  33           HB1      GLU  33  -4.913  -0.396  12.224
  321   1HG   GLU  33           HG2      GLU  33  -6.020   2.328  12.223
  322   2HG   GLU  33           HG1      GLU  33  -7.194   1.016  12.278
  323    H    VAL  34           HN       VAL  34  -4.011   0.259   8.770
  324    HA   VAL  34           HA       VAL  34  -2.093  -1.852   9.202
  325    HB   VAL  34           HB       VAL  34  -3.463  -0.885   6.681
  326   1HG1  VAL  34          HG11      VAL  34  -1.153  -2.213   6.593
  327   2HG1  VAL  34          HG12      VAL  34  -2.454  -2.490   5.438
  328   3HG1  VAL  34          HG13      VAL  34  -2.245  -3.580   6.807
  329   1HG2  VAL  34          HG21      VAL  34  -4.017  -3.532   7.880
  330   2HG2  VAL  34          HG22      VAL  34  -5.096  -2.412   7.049
  331   3HG2  VAL  34          HG23      VAL  34  -4.643  -2.118   8.729
  332    H    ALA  35           HN       ALA  35  -2.186   1.281   7.586
  333    HA   ALA  35           HA       ALA  35   0.305   1.153   6.315
  334   1HB   ALA  35           HB1      ALA  35  -0.775   2.946   5.517
  335   2HB   ALA  35           HB2      ALA  35   0.096   3.784   6.796
  336   3HB   ALA  35           HB3      ALA  35  -1.573   3.283   7.051
  337    H    LYS  36           HN       LYS  36  -0.553   1.994   9.607
  338    HA   LYS  36           HA       LYS  36   2.140   2.861  10.230
  339   1HB   LYS  36           HB2      LYS  36   1.285   3.463  12.371
  340   2HB   LYS  36           HB1      LYS  36   0.098   3.953  11.170
  341   1HG   LYS  36           HG2      LYS  36  -1.245   1.988  11.676
  342   2HG   LYS  36           HG1      LYS  36  -0.049   1.469  12.865
  343   1HD   LYS  36           HD2      LYS  36  -1.655   4.023  12.968
  344   2HD   LYS  36           HD1      LYS  36  -1.943   2.579  13.942
  345   1HE   LYS  36           HE2      LYS  36   0.524   2.900  14.680
  346   2HE   LYS  36           HE1      LYS  36   0.309   4.545  14.087
  347   1HZ   LYS  36           HZ1      LYS  36  -0.212   4.583  16.366
  348   2HZ   LYS  36           HZ2      LYS  36  -1.173   3.194  16.266
  349   3HZ   LYS  36           HZ3      LYS  36  -1.703   4.639  15.566
  350    H    LYS  37           HN       LYS  37   0.359  -0.080  10.366
  351    HA   LYS  37           HA       LYS  37   2.273  -1.205  12.289
  352   1HB   LYS  37           HB2      LYS  37   0.710  -2.926  12.747
  353   2HB   LYS  37           HB1      LYS  37  -0.207  -1.427  12.711
  354   1HG   LYS  37           HG2      LYS  37  -1.590  -2.373  11.267
  355   2HG   LYS  37           HG1      LYS  37  -0.274  -2.419  10.093
  356   1HD   LYS  37           HD2      LYS  37  -0.966  -4.638  10.203
  357   2HD   LYS  37           HD1      LYS  37   0.419  -4.597  11.297
  358   1HE   LYS  37           HE2      LYS  37  -1.929  -3.922  12.766
  359   2HE   LYS  37           HE1      LYS  37  -2.243  -5.395  11.851
  360   1HZ   LYS  37           HZ1      LYS  37  -0.729  -6.563  13.031
  361   2HZ   LYS  37           HZ2      LYS  37  -1.091  -5.414  14.218
  362   3HZ   LYS  37           HZ3      LYS  37   0.299  -5.240  13.270
  363    H    CYS  38           HN       CYS  38   1.409  -1.243   8.970
  364    HA   CYS  38           HA       CYS  38   2.982  -3.685   8.542
  365   1HB   CYS  38           HB2      CYS  38   1.039  -2.283   6.703
  366   2HB   CYS  38           HB1      CYS  38   1.944  -3.739   6.298
  367    HG   CYS  38           HG       CYS  38  -0.481  -3.603   8.195
  368    H    GLY  39           HN       GLY  39   2.889  -0.256   7.910
  369   1HA   GLY  39           HA2      GLY  39   5.115   0.741   7.585
  370   2HA   GLY  39           HA1      GLY  39   5.459  -0.566   6.466
  371    H    ILE  40           HN       ILE  40   2.323   0.922   6.350
  372    HA   ILE  40           HA       ILE  40   3.149   2.275   3.867
  373    HB   ILE  40           HB       ILE  40   0.280   2.017   4.143
  374   1HG1  ILE  40          HG12      ILE  40   1.844  -0.568   4.037
  375   2HG1  ILE  40          HG11      ILE  40   0.842  -0.046   5.379
  376   1HG2  ILE  40          HG21      ILE  40   0.393   1.791   1.912
  377   2HG2  ILE  40          HG22      ILE  40   1.671   0.581   1.996
  378   3HG2  ILE  40          HG23      ILE  40   2.070   2.292   2.131
  379   1HD1  ILE  40          HD11      ILE  40  -1.131  -0.143   3.986
  380   2HD1  ILE  40          HD12      ILE  40  -0.284  -1.689   3.961
  381   3HD1  ILE  40          HD13      ILE  40  -0.146  -0.586   2.592
  382    H    THR  41           HN       THR  41   0.873   3.884   3.538
  383    HA   THR  41           HA       THR  41   0.619   5.491   5.947
  384    HB   THR  41           HB       THR  41   1.238   7.236   3.709
  385    HG1  THR  41           HG1      THR  41   3.293   6.672   3.350
  386   1HG2  THR  41          HG21      THR  41   3.170   7.560   5.669
  387   2HG2  THR  41          HG22      THR  41   1.712   7.093   6.545
  388   3HG2  THR  41          HG23      THR  41   1.687   8.493   5.472
  389    HA   PRO  42           HA       PRO  42  -3.513   6.336   4.717
  390   1HB   PRO  42           HB2      PRO  42  -2.829   9.238   4.884
  391   2HB   PRO  42           HB1      PRO  42  -4.174   8.354   5.618
  392   1HG   PRO  42           HG2      PRO  42  -2.080   9.084   7.084
  393   2HG   PRO  42           HG1      PRO  42  -2.858   7.511   7.332
  394   1HD   PRO  42           HD2      PRO  42  -0.274   8.160   5.997
  395   2HD   PRO  42           HD1      PRO  42  -0.724   6.735   6.956
  396    H    LEU  43           HN       LEU  43  -0.920   8.040   3.101
  397    HA   LEU  43           HA       LEU  43  -2.588   8.709   0.816
  398   1HB   LEU  43           HB2      LEU  43  -0.704  10.166   1.796
  399   2HB   LEU  43           HB1      LEU  43   0.392   9.059   0.991
  400    HG   LEU  43           HG       LEU  43  -1.226   9.683  -1.077
  401   1HD1  LEU  43          HD11      LEU  43  -0.947  12.406  -0.081
  402   2HD1  LEU  43          HD12      LEU  43  -2.110  11.444   0.832
  403   3HD1  LEU  43          HD13      LEU  43  -2.297  11.632  -0.911
  404   1HD2  LEU  43          HD21      LEU  43   1.348  10.706  -0.054
  405   2HD2  LEU  43          HD22      LEU  43   0.587  11.643  -1.339
  406   3HD2  LEU  43          HD23      LEU  43   0.960   9.938  -1.594
  407    H    GLN  44           HN       GLN  44  -0.232   6.343   1.794
  408    HA   GLN  44           HA       GLN  44   0.190   5.338  -0.873
  409   1HB   GLN  44           HB2      GLN  44   0.863   3.778   1.584
  410   2HB   GLN  44           HB1      GLN  44   1.707   3.837   0.047
  411   1HG   GLN  44           HG2      GLN  44   1.633   6.057   2.073
  412   2HG   GLN  44           HG1      GLN  44   2.959   4.918   1.851
  413   1HE2  GLN  44          HE21      GLN  44   2.194   7.959   1.315
  414   2HE2  GLN  44          HE22      GLN  44   3.021   8.260  -0.179
  415    H    VAL  45           HN       VAL  45  -1.237   4.009   2.085
  416    HA   VAL  45           HA       VAL  45  -2.306   1.683   1.353
  417    HB   VAL  45           HB       VAL  45  -4.269   2.170   2.795
  418   1HG1  VAL  45          HG11      VAL  45  -2.917   1.668   4.484
  419   2HG1  VAL  45          HG12      VAL  45  -2.217   3.287   4.465
  420   3HG1  VAL  45          HG13      VAL  45  -1.550   2.026   3.430
  421   1HG2  VAL  45          HG21      VAL  45  -3.176   4.936   2.515
  422   2HG2  VAL  45          HG22      VAL  45  -3.971   4.465   4.017
  423   3HG2  VAL  45          HG23      VAL  45  -4.851   4.383   2.491
  424    H    ARG  46           HN       ARG  46  -3.550   4.809   0.276
  425    HA   ARG  46           HA       ARG  46  -5.833   3.613  -1.002
  426   1HB   ARG  46           HB2      ARG  46  -5.901   6.000  -2.080
  427   2HB   ARG  46           HB1      ARG  46  -6.371   5.762  -0.409
  428   1HG   ARG  46           HG2      ARG  46  -4.619   6.935   0.384
  429   2HG   ARG  46           HG1      ARG  46  -3.534   6.378  -0.881
  430   1HD   ARG  46           HD2      ARG  46  -4.384   8.888  -0.757
  431   2HD   ARG  46           HD1      ARG  46  -4.073   8.078  -2.291
  432    HE   ARG  46           HE       ARG  46  -6.280   8.325  -2.772
  433   1HH1  ARG  46          HH11      ARG  46  -5.930   8.368   0.700
  434   2HH1  ARG  46          HH12      ARG  46  -7.611   8.665   0.990
  435   1HH2  ARG  46          HH21      ARG  46  -8.489   8.719  -2.392
  436   2HH2  ARG  46          HH22      ARG  46  -9.064   8.865  -0.765
  437    H    VAL  47           HN       VAL  47  -2.899   5.280  -2.206
  438    HA   VAL  47           HA       VAL  47  -3.368   4.550  -4.923
  439    HB   VAL  47           HB       VAL  47  -1.096   5.328  -5.346
  440   1HG1  VAL  47          HG11      VAL  47  -2.779   6.982  -3.489
  441   2HG1  VAL  47          HG12      VAL  47  -2.647   7.085  -5.245
  442   3HG1  VAL  47          HG13      VAL  47  -1.306   7.613  -4.227
  443   1HG2  VAL  47          HG21      VAL  47   0.219   6.188  -3.337
  444   2HG2  VAL  47          HG22      VAL  47   0.153   4.439  -3.552
  445   3HG2  VAL  47          HG23      VAL  47  -0.873   5.219  -2.350
  446    H    TRP  48           HN       TRP  48  -1.296   3.281  -2.376
  447    HA   TRP  48           HA       TRP  48   0.019   1.320  -3.869
  448   1HB   TRP  48           HB2      TRP  48  -0.026   2.248  -1.198
  449   2HB   TRP  48           HB1      TRP  48  -0.259   0.507  -1.133
  450    HD1  TRP  48           HD1      TRP  48   2.361   3.131  -1.677
  451    HE1  TRP  48           HE1      TRP  48   4.635   2.014  -2.134
  452    HE3  TRP  48           HE3      TRP  48   0.778  -1.677  -2.338
  453    HZ2  TRP  48           HZ2      TRP  48   5.624  -0.570  -2.699
  454    HZ3  TRP  48           HZ3      TRP  48   2.447  -3.410  -2.829
  455    HH2  TRP  48           HH2      TRP  48   4.819  -2.871  -3.007
  456    H    PHE  49           HN       PHE  49  -2.845   1.017  -1.725
  457    HA   PHE  49           HA       PHE  49  -3.254  -1.727  -2.331
  458   1HB   PHE  49           HB2      PHE  49  -5.184   0.339  -1.256
  459   2HB   PHE  49           HB1      PHE  49  -5.535  -1.375  -1.376
  460    HD1  PHE  49           HD1      PHE  49  -2.486  -2.003  -0.577
  461    HD2  PHE  49           HD2      PHE  49  -5.684   0.219   1.140
  462    HE1  PHE  49           HE1      PHE  49  -1.533  -2.362   1.662
  463    HE2  PHE  49           HE2      PHE  49  -4.731  -0.132   3.378
  464    HZ   PHE  49           HZ       PHE  49  -2.654  -1.421   3.642
  465    H    ILE  50           HN       ILE  50  -4.117   1.234  -3.938
  466    HA   ILE  50           HA       ILE  50  -6.303   0.383  -5.447
  467    HB   ILE  50           HB       ILE  50  -4.268   2.515  -5.734
  468   1HG1  ILE  50          HG12      ILE  50  -6.490   2.744  -4.585
  469   2HG1  ILE  50          HG11      ILE  50  -6.201   3.929  -5.854
  470   1HG2  ILE  50          HG21      ILE  50  -5.885   1.545  -8.083
  471   2HG2  ILE  50          HG22      ILE  50  -4.132   1.698  -7.973
  472   3HG2  ILE  50          HG23      ILE  50  -5.144   3.143  -7.991
  473   1HD1  ILE  50          HD11      ILE  50  -8.505   2.874  -5.734
  474   2HD1  ILE  50          HD12      ILE  50  -7.745   1.410  -6.357
  475   3HD1  ILE  50          HD13      ILE  50  -7.713   2.894  -7.309
  476    H    ASN  51           HN       ASN  51  -2.837   0.246  -6.246
  477    HA   ASN  51           HA       ASN  51  -3.318  -1.292  -8.636
  478   1HB   ASN  51           HB2      ASN  51  -0.658  -0.841  -7.282
  479   2HB   ASN  51           HB1      ASN  51  -0.956  -1.217  -8.976
  480   1HD2  ASN  51          HD21      ASN  51  -0.376   1.202  -6.757
  481   2HD2  ASN  51          HD22      ASN  51  -0.798   2.568  -7.737
  482    H    LYS  52           HN       LYS  52  -2.388  -1.887  -5.323
  483    HA   LYS  52           HA       LYS  52  -1.854  -4.705  -5.853
  484   1HB   LYS  52           HB2      LYS  52  -1.493  -2.893  -3.494
  485   2HB   LYS  52           HB1      LYS  52  -1.523  -4.633  -3.256
  486   1HG   LYS  52           HG2      LYS  52   0.411  -3.059  -4.938
  487   2HG   LYS  52           HG1      LYS  52   0.745  -3.924  -3.437
  488   1HD   LYS  52           HD2      LYS  52  -0.314  -5.906  -4.968
  489   2HD   LYS  52           HD1      LYS  52   0.510  -4.931  -6.187
  490   1HE   LYS  52           HE2      LYS  52   2.559  -5.474  -5.421
  491   2HE   LYS  52           HE1      LYS  52   2.051  -5.425  -3.733
  492   1HZ   LYS  52           HZ1      LYS  52   1.148  -7.627  -5.465
  493   2HZ   LYS  52           HZ2      LYS  52   1.360  -7.604  -3.787
  494   3HZ   LYS  52           HZ3      LYS  52   2.707  -7.666  -4.809
  495    H    ARG  53           HN       ARG  53  -4.585  -3.229  -5.867
  496    HA   ARG  53           HA       ARG  53  -6.156  -5.382  -5.009
  497   1HB   ARG  53           HB2      ARG  53  -5.372  -4.390  -2.771
  498   2HB   ARG  53           HB1      ARG  53  -6.417  -3.030  -3.150
  499   1HG   ARG  53           HG2      ARG  53  -8.289  -4.717  -3.416
  500   2HG   ARG  53           HG1      ARG  53  -7.202  -5.881  -2.661
  501   1HD   ARG  53           HD2      ARG  53  -7.702  -5.093  -0.645
  502   2HD   ARG  53           HD1      ARG  53  -7.217  -3.468  -1.125
  503    HE   ARG  53           HE       ARG  53  -9.904  -4.524  -0.999
  504   1HH1  ARG  53          HH11      ARG  53  -7.836  -2.003  -2.247
  505   2HH1  ARG  53          HH12      ARG  53  -9.135  -0.884  -2.484
  506   1HH2  ARG  53          HH21      ARG  53 -11.611  -3.055  -1.312
  507   2HH2  ARG  53          HH22      ARG  53 -11.278  -1.480  -1.953
  508    H    MET  54           HN       MET  54  -5.939  -3.569  -7.233
  509    HA   MET  54           HA       MET  54  -7.888  -1.573  -7.276
  510   1HB   MET  54           HB2      MET  54  -6.122  -2.747  -9.120
  511   2HB   MET  54           HB1      MET  54  -7.722  -2.923  -9.829
  512   1HG   MET  54           HG2      MET  54  -7.663  -0.314  -8.885
  513   2HG   MET  54           HG1      MET  54  -6.059  -0.577  -9.564
  514   1HE   MET  54           HE1      MET  54  -7.915   1.578 -11.970
  515   2HE   MET  54           HE2      MET  54  -7.978   1.458 -10.212
  516   3HE   MET  54           HE3      MET  54  -9.396   1.042 -11.176
  517    H    ARG  55           HN       ARG  55  -9.607  -2.537  -6.027
  518    HA   ARG  55           HA       ARG  55 -11.096  -4.740  -7.127
  519   1HB   ARG  55           HB2      ARG  55 -11.745  -2.844  -4.864
  520   2HB   ARG  55           HB1      ARG  55 -12.671  -4.282  -5.270
  521   1HG   ARG  55           HG2      ARG  55  -9.800  -4.724  -4.828
  522   2HG   ARG  55           HG1      ARG  55 -10.716  -4.200  -3.414
  523   1HD   ARG  55           HD2      ARG  55 -12.068  -6.269  -4.963
  524   2HD   ARG  55           HD1      ARG  55 -10.503  -6.784  -4.337
  525    HE   ARG  55           HE       ARG  55 -11.945  -5.515  -2.287
  526   1HH1  ARG  55          HH11      ARG  55 -11.987  -8.449  -4.176
  527   2HH1  ARG  55          HH12      ARG  55 -12.751  -9.385  -2.937
  528   1HH2  ARG  55          HH21      ARG  55 -12.950  -6.746  -0.654
  529   2HH2  ARG  55          HH22      ARG  55 -13.300  -8.418  -0.937
  530    H    SER  56           HN       SER  56 -11.986  -1.364  -6.394
  531    HA   SER  56           HA       SER  56 -13.472  -1.230  -8.902
  532   1HB   SER  56           HB2      SER  56 -14.705  -1.548  -6.318
  533   2HB   SER  56           HB1      SER  56 -15.148   0.015  -7.000
  534    HG   SER  56           HG       SER  56 -15.774  -2.545  -7.860
  535    H    LYS  57           HN       LYS  57 -14.724   1.183  -8.549
  536    HA   LYS  57           HA       LYS  57 -12.685   3.027  -9.038
  537   1HB   LYS  57           HB2      LYS  57 -14.989   3.331  -9.820
  538   2HB   LYS  57           HB1      LYS  57 -15.532   3.548  -8.161
  539   1HG   LYS  57           HG2      LYS  57 -14.303   5.596  -7.963
  540   2HG   LYS  57           HG1      LYS  57 -13.552   5.346  -9.540
  541   1HD   LYS  57           HD2      LYS  57 -15.237   6.445 -10.486
  542   2HD   LYS  57           HD1      LYS  57 -16.342   5.185  -9.933
  543   1HE   LYS  57           HE2      LYS  57 -17.322   6.684  -8.619
  544   2HE   LYS  57           HE1      LYS  57 -15.823   6.812  -7.700
  545   1HZ   LYS  57           HZ1      LYS  57 -16.849   8.553  -9.832
  546   2HZ   LYS  57           HZ2      LYS  57 -15.176   8.427  -9.612
  547   3HZ   LYS  57           HZ3      LYS  57 -16.156   8.969  -8.345
  Start of MODEL   11
    1   1H    LYS  -3           HT1      LYS  -3  -3.984  12.495   2.160
    2   2H    LYS  -3           HT2      LYS  -3  -4.634  11.290   3.196
    3   3H    LYS  -3           HT3      LYS  -3  -3.635  12.530   3.838
    4    HA   LYS  -3           HA       LYS  -3  -6.176  13.072   2.476
    5   1HB   LYS  -3           HB2      LYS  -3  -6.456  11.524   4.420
    6   2HB   LYS  -3           HB1      LYS  -3  -5.689  12.731   5.442
    7   1HG   LYS  -3           HG2      LYS  -3  -7.732  13.505   5.834
    8   2HG   LYS  -3           HG1      LYS  -3  -7.697  14.144   4.189
    9   1HD   LYS  -3           HD2      LYS  -3  -8.846  12.260   3.333
   10   2HD   LYS  -3           HD1      LYS  -3  -8.605  11.346   4.824
   11   1HE   LYS  -3           HE2      LYS  -3 -10.201  13.894   4.702
   12   2HE   LYS  -3           HE1      LYS  -3 -10.919  12.302   4.457
   13   1HZ   LYS  -3           HZ1      LYS  -3  -9.948  13.544   6.899
   14   2HZ   LYS  -3           HZ2      LYS  -3  -9.620  11.894   6.731
   15   3HZ   LYS  -3           HZ3      LYS  -3 -11.217  12.449   6.671
   16    H    LYS  -2           HN       LYS  -2  -4.194  14.645   1.826
   17    HA   LYS  -2           HA       LYS  -2  -4.833  17.137   3.079
   18   1HB   LYS  -2           HB2      LYS  -2  -2.249  15.775   3.673
   19   2HB   LYS  -2           HB1      LYS  -2  -2.228  17.517   3.434
   20   1HG   LYS  -2           HG2      LYS  -2  -4.201  17.467   5.156
   21   2HG   LYS  -2           HG1      LYS  -2  -3.493  15.911   5.597
   22   1HD   LYS  -2           HD2      LYS  -2  -1.959  18.505   5.471
   23   2HD   LYS  -2           HD1      LYS  -2  -2.651  17.830   6.947
   24   1HE   LYS  -2           HE2      LYS  -2  -1.237  15.715   5.893
   25   2HE   LYS  -2           HE1      LYS  -2  -0.218  17.104   5.517
   26   1HZ   LYS  -2           HZ1      LYS  -2   0.222  16.035   7.710
   27   2HZ   LYS  -2           HZ2      LYS  -2  -1.299  16.566   8.225
   28   3HZ   LYS  -2           HZ3      LYS  -2  -0.113  17.691   7.796
   29    H    GLU  -1           HN       GLU  -1  -2.025  15.824   1.310
   30    HA   GLU  -1           HA       GLU  -1  -2.339  17.962  -0.661
   31   1HB   GLU  -1           HB2      GLU  -1  -0.096  16.091   0.042
   32   2HB   GLU  -1           HB1      GLU  -1  -0.093  16.964  -1.484
   33   1HG   GLU  -1           HG2      GLU  -1  -0.568  19.005   0.174
   34   2HG   GLU  -1           HG1      GLU  -1   0.322  17.947   1.268
   35    H    LYS   0           HN       LYS   0  -3.827  17.413  -2.147
   36    HA   LYS   0           HA       LYS   0  -4.385  14.803  -3.025
   37   1HB   LYS   0           HB2      LYS   0  -5.228  17.506  -3.689
   38   2HB   LYS   0           HB1      LYS   0  -5.138  16.483  -5.115
   39   1HG   LYS   0           HG2      LYS   0  -6.723  15.938  -2.614
   40   2HG   LYS   0           HG1      LYS   0  -7.361  16.422  -4.187
   41   1HD   LYS   0           HD2      LYS   0  -5.816  14.185  -4.740
   42   2HD   LYS   0           HD1      LYS   0  -6.611  13.792  -3.215
   43   1HE   LYS   0           HE2      LYS   0  -7.885  13.107  -5.250
   44   2HE   LYS   0           HE1      LYS   0  -8.770  14.173  -4.160
   45   1HZ   LYS   0           HZ1      LYS   0  -7.261  15.444  -6.305
   46   2HZ   LYS   0           HZ2      LYS   0  -8.767  15.852  -5.653
   47   3HZ   LYS   0           HZ3      LYS   0  -8.642  14.580  -6.761
   48    H    SER   1           HN       SER   1  -2.112  17.221  -4.142
   49    HA   SER   1           HA       SER   1  -1.465  15.846  -6.575
   50   1HB   SER   1           HB2      SER   1   0.156  17.985  -5.182
   51   2HB   SER   1           HB1      SER   1   0.216  17.537  -6.887
   52    HG   SER   1           HG       SER   1  -1.121  19.459  -6.098
   53    HA   PRO   2           HA       PRO   2   1.117  12.809  -4.498
   54   1HB   PRO   2           HB2      PRO   2   2.203  11.796  -6.827
   55   2HB   PRO   2           HB1      PRO   2   0.672  11.274  -6.120
   56   1HG   PRO   2           HG2      PRO   2   1.173  13.182  -8.359
   57   2HG   PRO   2           HG1      PRO   2  -0.107  11.969  -8.181
   58   1HD   PRO   2           HD2      PRO   2  -0.558  14.588  -7.764
   59   2HD   PRO   2           HD1      PRO   2  -1.385  13.331  -6.821
   60    H    LYS   3           HN       LYS   3   2.783  13.794  -7.474
   61    HA   LYS   3           HA       LYS   3   4.870  14.613  -7.848
   62   1HB   LYS   3           HB2      LYS   3   4.088  16.083  -5.343
   63   2HB   LYS   3           HB1      LYS   3   5.650  16.347  -6.107
   64   1HG   LYS   3           HG2      LYS   3   4.768  17.514  -7.818
   65   2HG   LYS   3           HG1      LYS   3   3.314  16.515  -7.891
   66   1HD   LYS   3           HD2      LYS   3   2.561  18.623  -7.180
   67   2HD   LYS   3           HD1      LYS   3   2.631  17.651  -5.709
   68   1HE   LYS   3           HE2      LYS   3   4.297  18.882  -4.819
   69   2HE   LYS   3           HE1      LYS   3   5.099  19.107  -6.372
   70   1HZ   LYS   3           HZ1      LYS   3   3.842  21.055  -5.082
   71   2HZ   LYS   3           HZ2      LYS   3   2.565  20.488  -6.034
   72   3HZ   LYS   3           HZ3      LYS   3   3.995  21.013  -6.767
   73    H    GLY   4           HN       GLY   4   4.720  12.083  -6.582
   74   1HA   GLY   4           HA2      GLY   4   7.321  12.102  -5.211
   75   2HA   GLY   4           HA1      GLY   4   5.968  11.268  -4.463
   76    H    LYS   5           HN       LYS   5   7.376   9.383  -4.580
   77    HA   LYS   5           HA       LYS   5   6.863   7.889  -7.007
   78   1HB   LYS   5           HB2      LYS   5   9.276   9.182  -6.850
   79   2HB   LYS   5           HB1      LYS   5   9.669   7.602  -6.185
   80   1HG   LYS   5           HG2      LYS   5   9.350   6.533  -8.162
   81   2HG   LYS   5           HG1      LYS   5   8.113   7.670  -8.705
   82   1HD   LYS   5           HD2      LYS   5   9.888   9.365  -9.046
   83   2HD   LYS   5           HD1      LYS   5  11.091   8.149  -8.612
   84   1HE   LYS   5           HE2      LYS   5   9.131   7.544 -10.775
   85   2HE   LYS   5           HE1      LYS   5  10.487   8.616 -11.125
   86   1HZ   LYS   5           HZ1      LYS   5  10.669   6.026 -11.424
   87   2HZ   LYS   5           HZ2      LYS   5  11.058   6.081  -9.779
   88   3HZ   LYS   5           HZ3      LYS   5  11.990   6.943 -10.896
   89    H    SER   6           HN       SER   6   6.226   5.919  -6.447
   90    HA   SER   6           HA       SER   6   6.471   5.019  -3.734
   91   1HB   SER   6           HB2      SER   6   5.547   2.987  -5.600
   92   2HB   SER   6           HB1      SER   6   4.696   3.739  -4.252
   93    HG   SER   6           HG       SER   6   4.143   4.086  -6.728
   94    H    SER   7           HN       SER   7   8.256   4.117  -2.970
   95    HA   SER   7           HA       SER   7   9.463   1.877  -4.303
   96   1HB   SER   7           HB2      SER   7  10.496   4.036  -5.311
   97   2HB   SER   7           HB1      SER   7  11.334   4.169  -3.765
   98    HG   SER   7           HG       SER   7  12.621   2.625  -4.362
   99    H    ILE   8           HN       ILE   8  10.730   0.626  -2.936
  100    HA   ILE   8           HA       ILE   8  11.755   1.443  -0.456
  101    HB   ILE   8           HB       ILE   8   9.232   1.580  -0.025
  102   1HG1  ILE   8          HG12      ILE   8  10.676  -0.293   1.839
  103   2HG1  ILE   8          HG11      ILE   8  11.129   1.402   1.688
  104   1HG2  ILE   8          HG21      ILE   8   8.538  -0.460  -1.122
  105   2HG2  ILE   8          HG22      ILE   8   8.136  -0.537   0.593
  106   3HG2  ILE   8          HG23      ILE   8   9.530  -1.422  -0.025
  107   1HD1  ILE   8          HD11      ILE   8   9.551   1.949   3.130
  108   2HD1  ILE   8          HD12      ILE   8   9.101   0.250   3.280
  109   3HD1  ILE   8          HD13      ILE   8   8.322   1.266   2.065
  110    H    SER   9           HN       SER   9  12.369  -0.469   0.928
  111    HA   SER   9           HA       SER   9  13.823  -2.346  -0.476
  112   1HB   SER   9           HB2      SER   9  12.947  -3.441   2.059
  113   2HB   SER   9           HB1      SER   9  14.542  -2.843   1.598
  114    HG   SER   9           HG       SER   9  14.137  -1.202   2.824
  115    HA   PRO  10           HA       PRO  10  11.346  -5.871  -1.615
  116   1HB   PRO  10           HB2      PRO  10  11.634  -7.791   0.388
  117   2HB   PRO  10           HB1      PRO  10  12.699  -7.601  -1.008
  118   1HG   PRO  10           HG2      PRO  10  13.025  -6.587   1.783
  119   2HG   PRO  10           HG1      PRO  10  14.246  -7.272   0.689
  120   1HD   PRO  10           HD2      PRO  10  14.110  -4.650   1.085
  121   2HD   PRO  10           HD1      PRO  10  14.423  -5.288  -0.542
  122    H    GLN  11           HN       GLN  11  11.072  -4.691   1.629
  123    HA   GLN  11           HA       GLN  11   8.731  -5.841   2.537
  124   1HB   GLN  11           HB2      GLN  11   9.692  -2.997   2.909
  125   2HB   GLN  11           HB1      GLN  11   8.454  -3.782   3.883
  126   1HG   GLN  11           HG2      GLN  11  10.029  -4.524   5.242
  127   2HG   GLN  11           HG1      GLN  11  10.707  -5.469   3.919
  128   1HE2  GLN  11          HE21      GLN  11  10.553  -1.964   4.335
  129   2HE2  GLN  11          HE22      GLN  11  12.269  -1.710   4.323
  130    H    ALA  12           HN       ALA  12   9.184  -3.513  -0.013
  131    HA   ALA  12           HA       ALA  12   6.803  -2.188  -0.180
  132   1HB   ALA  12           HB1      ALA  12   7.261  -1.818  -2.401
  133   2HB   ALA  12           HB2      ALA  12   7.809  -3.472  -2.677
  134   3HB   ALA  12           HB3      ALA  12   8.850  -2.328  -1.831
  135    H    ARG  13           HN       ARG  13   7.432  -5.355  -1.664
  136    HA   ARG  13           HA       ARG  13   4.611  -5.868  -2.023
  137   1HB   ARG  13           HB2      ARG  13   5.317  -7.918  -3.091
  138   2HB   ARG  13           HB1      ARG  13   6.343  -6.608  -3.666
  139   1HG   ARG  13           HG2      ARG  13   7.820  -7.461  -1.595
  140   2HG   ARG  13           HG1      ARG  13   7.020  -8.969  -2.034
  141   1HD   ARG  13           HD2      ARG  13   7.915  -7.650  -4.409
  142   2HD   ARG  13           HD1      ARG  13   9.249  -7.735  -3.257
  143    HE   ARG  13           HE       ARG  13   7.901 -10.231  -3.476
  144   1HH1  ARG  13          HH11      ARG  13  10.206  -8.168  -5.090
  145   2HH1  ARG  13          HH12      ARG  13  11.001  -9.477  -5.899
  146   1HH2  ARG  13          HH21      ARG  13   8.944 -11.955  -4.538
  147   2HH2  ARG  13          HH22      ARG  13  10.282 -11.627  -5.587
  148    H    ALA  14           HN       ALA  14   7.211  -6.866   0.135
  149    HA   ALA  14           HA       ALA  14   5.896  -9.038   1.350
  150   1HB   ALA  14           HB1      ALA  14   7.692  -7.544   3.107
  151   2HB   ALA  14           HB2      ALA  14   8.389  -7.928   1.534
  152   3HB   ALA  14           HB3      ALA  14   7.770  -9.220   2.562
  153    H    PHE  15           HN       PHE  15   6.248  -5.671   2.454
  154    HA   PHE  15           HA       PHE  15   4.655  -5.893   4.723
  155   1HB   PHE  15           HB2      PHE  15   4.878  -3.616   4.935
  156   2HB   PHE  15           HB1      PHE  15   6.190  -3.930   3.818
  157    HD1  PHE  15           HD1      PHE  15   6.410  -2.477   2.059
  158    HD2  PHE  15           HD2      PHE  15   2.531  -3.136   3.677
  159    HE1  PHE  15           HE1      PHE  15   5.481  -0.819   0.499
  160    HE2  PHE  15           HE2      PHE  15   1.596  -1.484   2.114
  161    HZ   PHE  15           HZ       PHE  15   3.071  -0.324   0.524
  162    H    LEU  16           HN       LEU  16   3.812  -4.981   1.409
  163    HA   LEU  16           HA       LEU  16   1.040  -4.649   1.958
  164   1HB   LEU  16           HB2      LEU  16   2.563  -3.895  -0.072
  165   2HB   LEU  16           HB1      LEU  16   1.977  -5.394  -0.767
  166    HG   LEU  16           HG       LEU  16   0.528  -3.721  -1.559
  167   1HD1  LEU  16          HD11      LEU  16  -1.592  -4.357  -0.748
  168   2HD1  LEU  16          HD12      LEU  16  -0.948  -4.761   0.843
  169   3HD1  LEU  16          HD13      LEU  16  -0.557  -5.771  -0.549
  170   1HD2  LEU  16          HD21      LEU  16   0.211  -2.718   1.260
  171   2HD2  LEU  16          HD22      LEU  16  -0.459  -2.006  -0.208
  172   3HD2  LEU  16          HD23      LEU  16   1.283  -2.001   0.058
  173    H    GLU  17           HN       GLU  17   3.079  -7.342   1.120
  174    HA   GLU  17           HA       GLU  17   1.208  -9.177   0.190
  175   1HB   GLU  17           HB2      GLU  17   3.907  -9.253   1.253
  176   2HB   GLU  17           HB1      GLU  17   2.978 -10.647   1.791
  177   1HG   GLU  17           HG2      GLU  17   2.448 -11.207  -0.511
  178   2HG   GLU  17           HG1      GLU  17   3.324  -9.783  -1.071
  179    H    GLN  18           HN       GLN  18   2.450  -8.934   3.502
  180    HA   GLN  18           HA       GLN  18   0.488 -10.564   4.668
  181   1HB   GLN  18           HB2      GLN  18   1.189  -9.224   6.799
  182   2HB   GLN  18           HB1      GLN  18   2.344 -10.295   6.019
  183   1HG   GLN  18           HG2      GLN  18   3.762  -8.630   5.691
  184   2HG   GLN  18           HG1      GLN  18   2.528  -7.670   4.880
  185   1HE2  GLN  18          HE21      GLN  18   0.732  -7.321   6.956
  186   2HE2  GLN  18          HE22      GLN  18   1.465  -6.340   8.182
  187    H    VAL  19           HN       VAL  19   0.562  -7.173   3.845
  188    HA   VAL  19           HA       VAL  19  -1.633  -6.283   5.378
  189    HB   VAL  19           HB       VAL  19  -0.529  -5.309   2.738
  190   1HG1  VAL  19          HG11      VAL  19  -2.618  -4.393   2.576
  191   2HG1  VAL  19          HG12      VAL  19  -1.799  -3.159   3.530
  192   3HG1  VAL  19          HG13      VAL  19  -2.846  -4.331   4.326
  193   1HG2  VAL  19          HG21      VAL  19  -0.336  -3.610   5.105
  194   2HG2  VAL  19          HG22      VAL  19   0.884  -4.037   3.909
  195   3HG2  VAL  19          HG23      VAL  19   0.537  -5.136   5.243
  196    H    PHE  20           HN       PHE  20  -1.520  -7.092   1.904
  197    HA   PHE  20           HA       PHE  20  -4.330  -7.232   1.602
  198   1HB   PHE  20           HB2      PHE  20  -2.702  -6.872  -0.259
  199   2HB   PHE  20           HB1      PHE  20  -2.214  -8.555  -0.107
  200    HD1  PHE  20           HD1      PHE  20  -4.614  -6.262  -1.480
  201    HD2  PHE  20           HD2      PHE  20  -3.894 -10.355  -0.570
  202    HE1  PHE  20           HE1      PHE  20  -6.415  -6.918  -3.023
  203    HE2  PHE  20           HE2      PHE  20  -5.694 -11.019  -2.110
  204    HZ   PHE  20           HZ       PHE  20  -6.956  -9.299  -3.339
  205    H    ARG  21           HN       ARG  21  -2.096  -9.364   3.024
  206    HA   ARG  21           HA       ARG  21  -3.464 -11.819   2.461
  207   1HB   ARG  21           HB2      ARG  21  -0.973 -11.277   3.312
  208   2HB   ARG  21           HB1      ARG  21  -1.737 -11.586   4.861
  209   1HG   ARG  21           HG2      ARG  21  -1.533 -13.761   4.531
  210   2HG   ARG  21           HG1      ARG  21  -2.532 -13.641   3.081
  211   1HD   ARG  21           HD2      ARG  21  -0.751 -13.682   1.688
  212   2HD   ARG  21           HD1      ARG  21   0.272 -12.770   2.798
  213    HE   ARG  21           HE       ARG  21  -0.287 -15.441   3.692
  214   1HH1  ARG  21          HH11      ARG  21   1.801 -13.483   1.695
  215   2HH1  ARG  21          HH12      ARG  21   3.120 -14.603   1.759
  216   1HH2  ARG  21          HH21      ARG  21   1.446 -16.915   3.775
  217   2HH2  ARG  21          HH22      ARG  21   2.918 -16.552   2.938
  218    H    ARG  22           HN       ARG  22  -3.378  -9.500   5.114
  219    HA   ARG  22           HA       ARG  22  -4.892 -10.930   6.983
  220   1HB   ARG  22           HB2      ARG  22  -4.327  -8.037   6.506
  221   2HB   ARG  22           HB1      ARG  22  -5.577  -8.469   7.665
  222   1HG   ARG  22           HG2      ARG  22  -3.973  -9.776   8.940
  223   2HG   ARG  22           HG1      ARG  22  -2.714  -9.398   7.761
  224   1HD   ARG  22           HD2      ARG  22  -2.740  -8.006   9.882
  225   2HD   ARG  22           HD1      ARG  22  -2.694  -7.122   8.358
  226    HE   ARG  22           HE       ARG  22  -5.339  -7.548   9.441
  227   1HH1  ARG  22          HH11      ARG  22  -2.567  -5.427   9.314
  228   2HH1  ARG  22          HH12      ARG  22  -3.471  -4.018   9.755
  229   1HH2  ARG  22          HH21      ARG  22  -6.525  -5.696  10.023
  230   2HH2  ARG  22          HH22      ARG  22  -5.716  -4.170  10.159
  231    H    LYS  23           HN       LYS  23  -5.891  -8.739   4.399
  232    HA   LYS  23           HA       LYS  23  -8.424 -10.048   4.159
  233   1HB   LYS  23           HB2      LYS  23  -9.878  -8.230   4.715
  234   2HB   LYS  23           HB1      LYS  23  -8.834  -8.532   6.096
  235   1HG   LYS  23           HG2      LYS  23  -7.579  -6.595   5.704
  236   2HG   LYS  23           HG1      LYS  23  -8.212  -6.412   4.071
  237   1HD   LYS  23           HD2      LYS  23  -9.628  -5.932   6.682
  238   2HD   LYS  23           HD1      LYS  23  -9.294  -4.782   5.393
  239   1HE   LYS  23           HE2      LYS  23 -11.492  -5.194   4.968
  240   2HE   LYS  23           HE1      LYS  23 -10.760  -6.455   3.982
  241   1HZ   LYS  23           HZ1      LYS  23 -12.203  -7.741   5.106
  242   2HZ   LYS  23           HZ2      LYS  23 -12.323  -6.681   6.418
  243   3HZ   LYS  23           HZ3      LYS  23 -11.002  -7.731   6.297
  244    H    GLN  24           HN       GLN  24  -9.570  -7.470   2.965
  245    HA   GLN  24           HA       GLN  24  -7.802  -7.199   0.651
  246   1HB   GLN  24           HB2      GLN  24 -10.648  -7.455  -0.055
  247   2HB   GLN  24           HB1      GLN  24  -9.227  -8.060  -0.885
  248   1HG   GLN  24           HG2      GLN  24  -9.308  -9.660   1.321
  249   2HG   GLN  24           HG1      GLN  24 -11.018  -9.384   1.002
  250   1HE2  GLN  24          HE21      GLN  24  -8.022 -10.627  -0.297
  251   2HE2  GLN  24          HE22      GLN  24  -8.740 -11.606  -1.534
  252    H    SER  25           HN       SER  25 -10.903  -6.197   2.036
  253    HA   SER  25           HA       SER  25 -10.617  -3.585   0.773
  254   1HB   SER  25           HB2      SER  25 -12.768  -4.833   0.650
  255   2HB   SER  25           HB1      SER  25 -12.930  -4.650   2.396
  256    HG   SER  25           HG       SER  25 -12.737  -2.530   0.515
  257    H    LEU  26           HN       LEU  26  -8.855  -2.848   2.123
  258    HA   LEU  26           HA       LEU  26  -9.261  -2.487   4.942
  259   1HB   LEU  26           HB2      LEU  26  -7.285  -0.954   3.263
  260   2HB   LEU  26           HB1      LEU  26  -7.183  -1.337   4.968
  261    HG   LEU  26           HG       LEU  26  -6.568  -3.058   2.604
  262   1HD1  LEU  26          HD11      LEU  26  -5.030  -1.682   4.384
  263   2HD1  LEU  26          HD12      LEU  26  -4.494  -3.078   3.448
  264   3HD1  LEU  26          HD13      LEU  26  -5.060  -3.292   5.104
  265   1HD2  LEU  26          HD21      LEU  26  -7.440  -4.033   5.312
  266   2HD2  LEU  26          HD22      LEU  26  -6.498  -5.007   4.184
  267   3HD2  LEU  26          HD23      LEU  26  -8.113  -4.458   3.739
  268    H    ASN  27           HN       ASN  27 -10.082  -0.721   5.999
  269    HA   ASN  27           HA       ASN  27 -11.220   1.378   4.290
  270   1HB   ASN  27           HB2      ASN  27 -12.088   1.644   7.005
  271   2HB   ASN  27           HB1      ASN  27 -13.041   1.248   5.582
  272   1HD2  ASN  27          HD21      ASN  27 -11.441   0.044   8.387
  273   2HD2  ASN  27          HD22      ASN  27 -12.036  -1.581   8.290
  274    H    SER  28           HN       SER  28 -11.476   3.524   5.774
  275    HA   SER  28           HA       SER  28  -9.008   4.758   5.807
  276   1HB   SER  28           HB2      SER  28 -11.667   5.372   6.988
  277   2HB   SER  28           HB1      SER  28 -10.286   6.270   7.629
  278    HG   SER  28           HG       SER  28 -10.797   6.031   4.855
  279    H    LYS  29           HN       LYS  29 -10.502   2.756   8.193
  280    HA   LYS  29           HA       LYS  29  -8.762   3.481  10.351
  281   1HB   LYS  29           HB2      LYS  29 -10.545   1.067  10.033
  282   2HB   LYS  29           HB1      LYS  29  -9.868   1.673  11.534
  283   1HG   LYS  29           HG2      LYS  29 -11.877   2.646  11.749
  284   2HG   LYS  29           HG1      LYS  29 -11.185   3.866  10.681
  285   1HD   LYS  29           HD2      LYS  29 -12.127   1.907   8.958
  286   2HD   LYS  29           HD1      LYS  29 -13.361   2.002  10.216
  287   1HE   LYS  29           HE2      LYS  29 -12.317   4.240   8.489
  288   2HE   LYS  29           HE1      LYS  29 -13.943   3.550   8.488
  289   1HZ   LYS  29           HZ1      LYS  29 -12.748   5.481  10.297
  290   2HZ   LYS  29           HZ2      LYS  29 -13.727   4.311  11.026
  291   3HZ   LYS  29           HZ3      LYS  29 -14.359   5.303   9.810
  292    H    GLU  30           HN       GLU  30  -9.108   0.640   8.243
  293    HA   GLU  30           HA       GLU  30  -6.801  -0.664   9.270
  294   1HB   GLU  30           HB2      GLU  30  -8.244  -1.113   6.649
  295   2HB   GLU  30           HB1      GLU  30  -7.082  -2.205   7.390
  296   1HG   GLU  30           HG2      GLU  30  -8.968  -1.816   9.369
  297   2HG   GLU  30           HG1      GLU  30  -9.918  -1.888   7.886
  298    H    LYS  31           HN       LYS  31  -7.482   1.443   6.541
  299    HA   LYS  31           HA       LYS  31  -5.028   1.169   5.217
  300   1HB   LYS  31           HB2      LYS  31  -5.771   2.863   3.871
  301   2HB   LYS  31           HB1      LYS  31  -7.288   2.415   4.618
  302   1HG   LYS  31           HG2      LYS  31  -7.109   4.238   6.188
  303   2HG   LYS  31           HG1      LYS  31  -5.516   4.653   5.544
  304   1HD   LYS  31           HD2      LYS  31  -6.446   5.272   3.439
  305   2HD   LYS  31           HD1      LYS  31  -8.033   4.645   3.892
  306   1HE   LYS  31           HE2      LYS  31  -8.525   6.728   4.522
  307   2HE   LYS  31           HE1      LYS  31  -7.457   6.450   5.898
  308   1HZ   LYS  31           HZ1      LYS  31  -7.009   8.018   3.484
  309   2HZ   LYS  31           HZ2      LYS  31  -5.677   7.167   4.085
  310   3HZ   LYS  31           HZ3      LYS  31  -6.474   8.289   5.067
  311    H    GLU  32           HN       GLU  32  -6.034   3.107   7.959
  312    HA   GLU  32           HA       GLU  32  -3.467   4.473   8.081
  313   1HB   GLU  32           HB2      GLU  32  -4.418   5.826   9.782
  314   2HB   GLU  32           HB1      GLU  32  -5.684   5.597   8.583
  315   1HG   GLU  32           HG2      GLU  32  -6.801   4.002   9.958
  316   2HG   GLU  32           HG1      GLU  32  -5.459   3.967  11.102
  317    H    GLU  33           HN       GLU  33  -5.272   1.980   9.755
  318    HA   GLU  33           HA       GLU  33  -3.421   1.677  11.914
  319   1HB   GLU  33           HB2      GLU  33  -5.684  -0.023  10.868
  320   2HB   GLU  33           HB1      GLU  33  -4.736  -0.458  12.278
  321   1HG   GLU  33           HG2      GLU  33  -5.871   2.254  12.290
  322   2HG   GLU  33           HG1      GLU  33  -7.031   0.930  12.376
  323    H    VAL  34           HN       VAL  34  -3.940   0.194   8.795
  324    HA   VAL  34           HA       VAL  34  -1.997  -1.900   9.158
  325    HB   VAL  34           HB       VAL  34  -3.428  -0.914   6.679
  326   1HG1  VAL  34          HG11      VAL  34  -2.089  -3.577   6.848
  327   2HG1  VAL  34          HG12      VAL  34  -1.139  -2.152   6.428
  328   3HG1  VAL  34          HG13      VAL  34  -2.515  -2.620   5.430
  329   1HG2  VAL  34          HG21      VAL  34  -5.081  -2.369   7.127
  330   2HG2  VAL  34          HG22      VAL  34  -4.495  -2.240   8.785
  331   3HG2  VAL  34          HG23      VAL  34  -3.979  -3.587   7.771
  332    H    ALA  35           HN       ALA  35  -2.142   1.270   7.644
  333    HA   ALA  35           HA       ALA  35   0.339   1.159   6.314
  334   1HB   ALA  35           HB1      ALA  35   0.057   3.791   6.743
  335   2HB   ALA  35           HB2      ALA  35  -1.596   3.247   7.009
  336   3HB   ALA  35           HB3      ALA  35  -0.788   2.902   5.482
  337    H    LYS  36           HN       LYS  36  -0.510   1.936   9.614
  338    HA   LYS  36           HA       LYS  36   2.117   3.004  10.201
  339   1HB   LYS  36           HB2      LYS  36   1.262   3.432  12.411
  340   2HB   LYS  36           HB1      LYS  36   0.079   3.954  11.219
  341   1HG   LYS  36           HG2      LYS  36  -1.199   1.901  11.593
  342   2HG   LYS  36           HG1      LYS  36  -0.018   1.396  12.804
  343   1HD   LYS  36           HD2      LYS  36  -0.720   3.952  13.598
  344   2HD   LYS  36           HD1      LYS  36  -2.240   3.263  13.027
  345   1HE   LYS  36           HE2      LYS  36  -1.484   1.200  14.456
  346   2HE   LYS  36           HE1      LYS  36  -0.484   2.396  15.280
  347   1HZ   LYS  36           HZ1      LYS  36  -2.303   3.492  16.096
  348   2HZ   LYS  36           HZ2      LYS  36  -2.888   1.905  16.098
  349   3HZ   LYS  36           HZ3      LYS  36  -3.333   2.968  14.861
  350    H    LYS  37           HN       LYS  37   0.579  -0.076  10.343
  351    HA   LYS  37           HA       LYS  37   2.650  -1.062  12.179
  352   1HB   LYS  37           HB2      LYS  37   1.255  -2.962  12.600
  353   2HB   LYS  37           HB1      LYS  37   0.261  -1.519  12.743
  354   1HG   LYS  37           HG2      LYS  37  -0.645  -1.911  10.518
  355   2HG   LYS  37           HG1      LYS  37   0.367  -3.345  10.349
  356   1HD   LYS  37           HD2      LYS  37  -1.444  -3.136  12.707
  357   2HD   LYS  37           HD1      LYS  37  -2.140  -3.533  11.135
  358   1HE   LYS  37           HE2      LYS  37  -1.644  -5.646  11.727
  359   2HE   LYS  37           HE1      LYS  37  -0.026  -5.213  11.177
  360   1HZ   LYS  37           HZ1      LYS  37   0.335  -6.111  13.261
  361   2HZ   LYS  37           HZ2      LYS  37  -1.047  -5.408  13.935
  362   3HZ   LYS  37           HZ3      LYS  37   0.304  -4.451  13.590
  363    H    CYS  38           HN       CYS  38   1.572  -1.199   8.905
  364    HA   CYS  38           HA       CYS  38   3.286  -3.503   8.350
  365   1HB   CYS  38           HB2      CYS  38   1.343  -2.054   6.543
  366   2HB   CYS  38           HB1      CYS  38   2.223  -3.525   6.141
  367    HG   CYS  38           HG       CYS  38   0.710  -4.264   8.502
  368    H    GLY  39           HN       GLY  39   3.075  -0.056   7.856
  369   1HA   GLY  39           HA2      GLY  39   5.234   1.065   7.565
  370   2HA   GLY  39           HA1      GLY  39   5.668  -0.207   6.436
  371    H    ILE  40           HN       ILE  40   2.455   1.082   6.300
  372    HA   ILE  40           HA       ILE  40   3.204   2.498   3.831
  373    HB   ILE  40           HB       ILE  40   0.354   2.087   4.104
  374   1HG1  ILE  40          HG12      ILE  40   2.022  -0.430   3.980
  375   2HG1  ILE  40          HG11      ILE  40   1.071   0.065   5.370
  376   1HG2  ILE  40          HG21      ILE  40   2.120   2.434   2.092
  377   2HG2  ILE  40          HG22      ILE  40   0.486   1.808   1.875
  378   3HG2  ILE  40          HG23      ILE  40   1.848   0.694   1.989
  379   1HD1  ILE  40          HD11      ILE  40  -0.352  -0.099   2.793
  380   2HD1  ILE  40          HD12      ILE  40  -0.886  -0.527   4.419
  381   3HD1  ILE  40          HD13      ILE  40   0.168  -1.620   3.521
  382    H    THR  41           HN       THR  41   0.803   3.978   3.553
  383    HA   THR  41           HA       THR  41   0.504   5.542   5.979
  384    HB   THR  41           HB       THR  41   1.048   7.345   3.763
  385    HG1  THR  41           HG1      THR  41   3.198   5.736   4.673
  386   1HG2  THR  41          HG21      THR  41   1.542   8.639   5.477
  387   2HG2  THR  41          HG22      THR  41   2.945   7.629   5.828
  388   3HG2  THR  41          HG23      THR  41   1.390   7.271   6.580
  389    HA   PRO  42           HA       PRO  42  -3.655   6.250   4.749
  390   1HB   PRO  42           HB2      PRO  42  -3.095   9.173   4.977
  391   2HB   PRO  42           HB1      PRO  42  -4.399   8.219   5.694
  392   1HG   PRO  42           HG2      PRO  42  -2.340   9.013   7.176
  393   2HG   PRO  42           HG1      PRO  42  -3.043   7.399   7.392
  394   1HD   PRO  42           HD2      PRO  42  -0.499   8.197   6.057
  395   2HD   PRO  42           HD1      PRO  42  -0.870   6.741   7.002
  396    H    LEU  43           HN       LEU  43  -1.097   8.027   3.176
  397    HA   LEU  43           HA       LEU  43  -2.762   8.718   0.894
  398   1HB   LEU  43           HB2      LEU  43  -0.748  10.053   2.006
  399   2HB   LEU  43           HB1      LEU  43   0.192   9.089   0.884
  400    HG   LEU  43           HG       LEU  43  -1.947  10.164  -0.609
  401   1HD1  LEU  43          HD11      LEU  43  -2.231  11.768   1.250
  402   2HD1  LEU  43          HD12      LEU  43  -1.750  12.535  -0.264
  403   3HD1  LEU  43          HD13      LEU  43  -0.563  12.289   1.016
  404   1HD2  LEU  43          HD21      LEU  43   0.780  11.367  -0.647
  405   2HD2  LEU  43          HD22      LEU  43  -0.271  10.911  -1.987
  406   3HD2  LEU  43          HD23      LEU  43   0.587   9.667  -1.078
  407    H    GLN  44           HN       GLN  44  -0.343   6.394   1.841
  408    HA   GLN  44           HA       GLN  44   0.083   5.431  -0.841
  409   1HB   GLN  44           HB2      GLN  44   0.823   3.842   1.576
  410   2HB   GLN  44           HB1      GLN  44   1.653   3.968   0.035
  411   1HG   GLN  44           HG2      GLN  44   1.526   6.131   2.123
  412   2HG   GLN  44           HG1      GLN  44   2.884   5.040   1.862
  413   1HE2  GLN  44          HE21      GLN  44   1.862   8.060   1.319
  414   2HE2  GLN  44          HE22      GLN  44   2.734   8.430  -0.134
  415    H    VAL  45           HN       VAL  45  -1.289   4.017   2.113
  416    HA   VAL  45           HA       VAL  45  -2.291   1.672   1.353
  417    HB   VAL  45           HB       VAL  45  -4.282   2.096   2.784
  418   1HG1  VAL  45          HG11      VAL  45  -2.928   1.615   4.483
  419   2HG1  VAL  45          HG12      VAL  45  -2.261   3.247   4.474
  420   3HG1  VAL  45          HG13      VAL  45  -1.565   2.005   3.435
  421   1HG2  VAL  45          HG21      VAL  45  -3.296   4.884   2.471
  422   2HG2  VAL  45          HG22      VAL  45  -3.962   4.410   4.033
  423   3HG2  VAL  45          HG23      VAL  45  -4.947   4.275   2.577
  424    H    ARG  46           HN       ARG  46  -3.749   4.778   0.446
  425    HA   ARG  46           HA       ARG  46  -5.934   3.581  -0.940
  426   1HB   ARG  46           HB2      ARG  46  -5.965   5.973  -2.028
  427   2HB   ARG  46           HB1      ARG  46  -6.479   5.734  -0.370
  428   1HG   ARG  46           HG2      ARG  46  -4.784   6.937   0.460
  429   2HG   ARG  46           HG1      ARG  46  -3.629   6.307  -0.709
  430   1HD   ARG  46           HD2      ARG  46  -4.085   8.756  -0.910
  431   2HD   ARG  46           HD1      ARG  46  -4.374   7.831  -2.383
  432    HE   ARG  46           HE       ARG  46  -6.811   7.885  -1.241
  433   1HH1  ARG  46          HH11      ARG  46  -4.489  10.399  -1.935
  434   2HH1  ARG  46          HH12      ARG  46  -5.695  11.624  -2.150
  435   1HH2  ARG  46          HH21      ARG  46  -8.395   9.496  -1.523
  436   2HH2  ARG  46          HH22      ARG  46  -7.911  11.111  -1.916
  437    H    VAL  47           HN       VAL  47  -3.078   5.369  -2.185
  438    HA   VAL  47           HA       VAL  47  -3.478   4.617  -4.876
  439    HB   VAL  47           HB       VAL  47  -1.245   5.413  -5.304
  440   1HG1  VAL  47          HG11      VAL  47  -1.367   7.640  -4.366
  441   2HG1  VAL  47          HG12      VAL  47  -2.475   7.080  -3.112
  442   3HG1  VAL  47          HG13      VAL  47  -2.984   7.086  -4.801
  443   1HG2  VAL  47          HG21      VAL  47   0.220   6.075  -3.351
  444   2HG2  VAL  47          HG22      VAL  47   0.036   4.341  -3.619
  445   3HG2  VAL  47          HG23      VAL  47  -0.869   5.136  -2.333
  446    H    TRP  48           HN       TRP  48  -1.460   3.259  -2.329
  447    HA   TRP  48           HA       TRP  48  -0.157   1.305  -3.835
  448   1HB   TRP  48           HB2      TRP  48  -0.242   2.161  -1.143
  449   2HB   TRP  48           HB1      TRP  48  -0.525   0.427  -1.132
  450    HD1  TRP  48           HD1      TRP  48   2.174   2.998  -1.594
  451    HE1  TRP  48           HE1      TRP  48   4.431   1.826  -1.984
  452    HE3  TRP  48           HE3      TRP  48   0.496  -1.777  -2.283
  453    HZ2  TRP  48           HZ2      TRP  48   5.374  -0.781  -2.515
  454    HZ3  TRP  48           HZ3      TRP  48   2.138  -3.550  -2.726
  455    HH2  TRP  48           HH2      TRP  48   4.527  -3.064  -2.841
  456    H    PHE  49           HN       PHE  49  -3.026   0.991  -1.707
  457    HA   PHE  49           HA       PHE  49  -3.512  -1.712  -2.436
  458   1HB   PHE  49           HB2      PHE  49  -5.384   0.334  -1.226
  459   2HB   PHE  49           HB1      PHE  49  -5.725  -1.385  -1.361
  460    HD1  PHE  49           HD1      PHE  49  -2.799  -2.220  -0.679
  461    HD2  PHE  49           HD2      PHE  49  -5.615   0.397   1.150
  462    HE1  PHE  49           HE1      PHE  49  -1.729  -2.596   1.505
  463    HE2  PHE  49           HE2      PHE  49  -4.544   0.027   3.331
  464    HZ   PHE  49           HZ       PHE  49  -2.601  -1.464   3.511
  465    H    ILE  50           HN       ILE  50  -4.156   1.277  -4.004
  466    HA   ILE  50           HA       ILE  50  -6.479   0.585  -5.434
  467    HB   ILE  50           HB       ILE  50  -4.394   2.660  -5.667
  468   1HG1  ILE  50          HG12      ILE  50  -6.589   2.980  -4.560
  469   2HG1  ILE  50          HG11      ILE  50  -6.329   4.110  -5.885
  470   1HG2  ILE  50          HG21      ILE  50  -5.973   1.794  -8.082
  471   2HG2  ILE  50          HG22      ILE  50  -4.219   1.894  -7.922
  472   3HG2  ILE  50          HG23      ILE  50  -5.189   3.367  -7.927
  473   1HD1  ILE  50          HD11      ILE  50  -8.060   3.318  -7.055
  474   2HD1  ILE  50          HD12      ILE  50  -8.580   2.657  -5.505
  475   3HD1  ILE  50          HD13      ILE  50  -7.701   1.640  -6.648
  476    H    ASN  51           HN       ASN  51  -3.060   0.450  -6.461
  477    HA   ASN  51           HA       ASN  51  -3.713  -1.060  -8.818
  478   1HB   ASN  51           HB2      ASN  51  -1.255   0.079  -7.608
  479   2HB   ASN  51           HB1      ASN  51  -1.039  -1.314  -8.665
  480   1HD2  ASN  51          HD21      ASN  51  -2.253   1.963  -8.460
  481   2HD2  ASN  51          HD22      ASN  51  -2.199   2.291 -10.161
  482    H    LYS  52           HN       LYS  52  -2.503  -1.772  -5.600
  483    HA   LYS  52           HA       LYS  52  -1.838  -4.500  -6.203
  484   1HB   LYS  52           HB2      LYS  52  -1.928  -2.826  -3.727
  485   2HB   LYS  52           HB1      LYS  52  -1.861  -4.576  -3.569
  486   1HG   LYS  52           HG2      LYS  52   0.124  -2.892  -5.083
  487   2HG   LYS  52           HG1      LYS  52   0.352  -3.534  -3.456
  488   1HD   LYS  52           HD2      LYS  52  -0.048  -5.830  -4.464
  489   2HD   LYS  52           HD1      LYS  52   0.115  -5.055  -6.040
  490   1HE   LYS  52           HE2      LYS  52   2.347  -4.202  -5.287
  491   2HE   LYS  52           HE1      LYS  52   2.177  -5.206  -3.849
  492   1HZ   LYS  52           HZ1      LYS  52   2.271  -7.151  -5.112
  493   2HZ   LYS  52           HZ2      LYS  52   3.467  -6.167  -5.792
  494   3HZ   LYS  52           HZ3      LYS  52   1.976  -6.345  -6.571
  495    H    ARG  53           HN       ARG  53  -4.616  -2.790  -4.957
  496    HA   ARG  53           HA       ARG  53  -6.081  -5.344  -4.869
  497   1HB   ARG  53           HB2      ARG  53  -5.689  -4.379  -2.596
  498   2HB   ARG  53           HB1      ARG  53  -6.593  -2.956  -3.089
  499   1HG   ARG  53           HG2      ARG  53  -8.285  -5.046  -3.716
  500   2HG   ARG  53           HG1      ARG  53  -7.556  -5.530  -2.186
  501   1HD   ARG  53           HD2      ARG  53  -9.591  -4.267  -1.792
  502   2HD   ARG  53           HD1      ARG  53  -8.188  -3.371  -1.210
  503    HE   ARG  53           HE       ARG  53  -8.930  -2.666  -3.884
  504   1HH1  ARG  53          HH11      ARG  53  -9.616  -2.089  -0.511
  505   2HH1  ARG  53          HH12      ARG  53 -10.260  -0.505  -0.784
  506   1HH2  ARG  53          HH21      ARG  53  -9.778  -0.584  -4.245
  507   2HH2  ARG  53          HH22      ARG  53 -10.355   0.349  -2.904
  508    H    MET  54           HN       MET  54  -5.806  -3.478  -7.095
  509    HA   MET  54           HA       MET  54  -7.876  -1.711  -7.455
  510   1HB   MET  54           HB2      MET  54  -5.925  -2.809  -9.064
  511   2HB   MET  54           HB1      MET  54  -7.408  -3.370  -9.822
  512   1HG   MET  54           HG2      MET  54  -8.059  -1.275 -10.427
  513   2HG   MET  54           HG1      MET  54  -7.224  -0.505  -9.080
  514   1HE   MET  54           HE1      MET  54  -5.651  -1.991 -13.019
  515   2HE   MET  54           HE2      MET  54  -6.636  -2.871 -11.850
  516   3HE   MET  54           HE3      MET  54  -4.877  -2.908 -11.726
  517    H    ARG  55           HN       ARG  55  -9.752  -2.415  -6.428
  518    HA   ARG  55           HA       ARG  55 -11.018  -4.889  -7.094
  519   1HB   ARG  55           HB2      ARG  55 -11.963  -2.442  -5.603
  520   2HB   ARG  55           HB1      ARG  55 -12.966  -3.867  -5.835
  521   1HG   ARG  55           HG2      ARG  55 -10.350  -4.533  -4.776
  522   2HG   ARG  55           HG1      ARG  55 -11.223  -3.398  -3.745
  523   1HD   ARG  55           HD2      ARG  55 -12.723  -4.944  -3.119
  524   2HD   ARG  55           HD1      ARG  55 -12.871  -5.597  -4.750
  525    HE   ARG  55           HE       ARG  55 -11.157  -6.549  -2.640
  526   1HH1  ARG  55          HH11      ARG  55 -11.698  -6.467  -6.087
  527   2HH1  ARG  55          HH12      ARG  55 -10.792  -7.912  -6.389
  528   1HH2  ARG  55          HH21      ARG  55  -9.964  -8.448  -3.036
  529   2HH2  ARG  55          HH22      ARG  55  -9.807  -9.036  -4.658
  530    H    SER  56           HN       SER  56 -11.519  -1.499  -7.980
  531    HA   SER  56           HA       SER  56 -13.843  -1.859  -9.514
  532   1HB   SER  56           HB2      SER  56 -13.100   0.353  -8.778
  533   2HB   SER  56           HB1      SER  56 -11.667   0.228  -9.796
  534    HG   SER  56           HG       SER  56 -14.302   0.069 -10.821
  535    H    LYS  57           HN       LYS  57 -10.417  -1.899 -10.424
  536    HA   LYS  57           HA       LYS  57 -11.205  -3.021 -13.033
  537   1HB   LYS  57           HB2      LYS  57  -8.585  -1.649 -12.452
  538   2HB   LYS  57           HB1      LYS  57  -9.275  -2.044 -14.020
  539   1HG   LYS  57           HG2      LYS  57 -11.205  -0.437 -13.027
  540   2HG   LYS  57           HG1      LYS  57  -9.775   0.251 -12.254
  541   1HD   LYS  57           HD2      LYS  57  -9.771   1.435 -14.211
  542   2HD   LYS  57           HD1      LYS  57  -8.787   0.051 -14.694
  543   1HE   LYS  57           HE2      LYS  57 -10.399  -0.796 -16.051
  544   2HE   LYS  57           HE1      LYS  57 -11.715  -0.205 -15.037
  545   1HZ   LYS  57           HZ1      LYS  57 -11.931   1.202 -16.781
  546   2HZ   LYS  57           HZ2      LYS  57 -10.297   1.131 -17.211
  547   3HZ   LYS  57           HZ3      LYS  57 -10.789   2.094 -15.909
  Start of MODEL   12
    1   1H    LYS  -3           HT1      LYS  -3   5.562  20.172  14.476
    2   2H    LYS  -3           HT2      LYS  -3   5.593  21.883  14.603
    3   3H    LYS  -3           HT3      LYS  -3   6.392  20.918  15.775
    4    HA   LYS  -3           HA       LYS  -3   7.947  21.885  14.275
    5   1HB   LYS  -3           HB2      LYS  -3   7.772  19.288  15.118
    6   2HB   LYS  -3           HB1      LYS  -3   7.991  19.077  13.387
    7   1HG   LYS  -3           HG2      LYS  -3  10.157  19.490  13.562
    8   2HG   LYS  -3           HG1      LYS  -3   9.839  21.038  14.347
    9   1HD   LYS  -3           HD2      LYS  -3  10.976  20.024  16.036
   10   2HD   LYS  -3           HD1      LYS  -3   9.356  19.438  16.419
   11   1HE   LYS  -3           HE2      LYS  -3   9.778  17.331  15.466
   12   2HE   LYS  -3           HE1      LYS  -3  11.216  17.908  14.626
   13   1HZ   LYS  -3           HZ1      LYS  -3  10.951  17.651  17.573
   14   2HZ   LYS  -3           HZ2      LYS  -3  12.340  18.134  16.736
   15   3HZ   LYS  -3           HZ3      LYS  -3  11.759  16.554  16.568
   16    H    LYS  -2           HN       LYS  -2   8.907  20.665  11.993
   17    HA   LYS  -2           HA       LYS  -2   6.820  21.263   9.998
   18   1HB   LYS  -2           HB2      LYS  -2   9.667  22.154  10.174
   19   2HB   LYS  -2           HB1      LYS  -2   8.957  21.903   8.585
   20   1HG   LYS  -2           HG2      LYS  -2   8.677  24.186   9.067
   21   2HG   LYS  -2           HG1      LYS  -2   7.094  23.446   9.314
   22   1HD   LYS  -2           HD2      LYS  -2   7.178  23.702  11.592
   23   2HD   LYS  -2           HD1      LYS  -2   8.941  23.664  11.639
   24   1HE   LYS  -2           HE2      LYS  -2   8.709  25.911  10.304
   25   2HE   LYS  -2           HE1      LYS  -2   7.101  25.931  11.029
   26   1HZ   LYS  -2           HZ1      LYS  -2   8.230  26.978  12.663
   27   2HZ   LYS  -2           HZ2      LYS  -2   9.711  26.254  12.285
   28   3HZ   LYS  -2           HZ3      LYS  -2   8.552  25.396  13.169
   29    H    GLU  -1           HN       GLU  -1   6.323  19.578   8.781
   30    HA   GLU  -1           HA       GLU  -1   8.404  17.798   7.813
   31   1HB   GLU  -1           HB2      GLU  -1   6.991  15.786   8.491
   32   2HB   GLU  -1           HB1      GLU  -1   7.891  16.588   9.770
   33   1HG   GLU  -1           HG2      GLU  -1   5.463  17.892   9.781
   34   2HG   GLU  -1           HG1      GLU  -1   5.033  16.214   9.453
   35    H    LYS   0           HN       LYS   0   7.344  19.409   6.127
   36    HA   LYS   0           HA       LYS   0   4.825  18.750   5.033
   37   1HB   LYS   0           HB2      LYS   0   7.227  20.121   3.820
   38   2HB   LYS   0           HB1      LYS   0   5.672  19.984   3.012
   39   1HG   LYS   0           HG2      LYS   0   4.755  21.624   4.228
   40   2HG   LYS   0           HG1      LYS   0   5.527  21.086   5.720
   41   1HD   LYS   0           HD2      LYS   0   6.352  23.279   5.119
   42   2HD   LYS   0           HD1      LYS   0   7.646  22.091   4.952
   43   1HE   LYS   0           HE2      LYS   0   7.868  23.311   3.006
   44   2HE   LYS   0           HE1      LYS   0   6.854  21.967   2.479
   45   1HZ   LYS   0           HZ1      LYS   0   5.375  23.451   1.806
   46   2HZ   LYS   0           HZ2      LYS   0   6.288  24.730   2.431
   47   3HZ   LYS   0           HZ3      LYS   0   5.147  23.952   3.406
   48    H    SER   1           HN       SER   1   8.052  18.134   3.640
   49    HA   SER   1           HA       SER   1   7.344  15.431   2.959
   50   1HB   SER   1           HB2      SER   1   7.908  15.925   0.463
   51   2HB   SER   1           HB1      SER   1   6.285  16.279   1.055
   52    HG   SER   1           HG       SER   1   8.377  18.189   0.942
   53    HA   PRO   2           HA       PRO   2  11.727  15.068   3.423
   54   1HB   PRO   2           HB2      PRO   2  12.135  12.697   2.156
   55   2HB   PRO   2           HB1      PRO   2  11.402  12.819   3.760
   56   1HG   PRO   2           HG2      PRO   2  10.082  12.478   1.094
   57   2HG   PRO   2           HG1      PRO   2   9.725  11.670   2.632
   58   1HD   PRO   2           HD2      PRO   2   8.249  13.737   1.709
   59   2HD   PRO   2           HD1      PRO   2   8.523  13.466   3.443
   60    H    LYS   3           HN       LYS   3  13.602  14.075   1.828
   61    HA   LYS   3           HA       LYS   3  13.299  15.446  -0.759
   62   1HB   LYS   3           HB2      LYS   3  15.808  15.469   0.925
   63   2HB   LYS   3           HB1      LYS   3  15.544  16.321  -0.589
   64   1HG   LYS   3           HG2      LYS   3  13.841  17.706   0.483
   65   2HG   LYS   3           HG1      LYS   3  14.106  16.850   2.003
   66   1HD   LYS   3           HD2      LYS   3  15.416  18.734   2.281
   67   2HD   LYS   3           HD1      LYS   3  16.585  17.566   1.663
   68   1HE   LYS   3           HE2      LYS   3  16.968  18.792  -0.158
   69   2HE   LYS   3           HE1      LYS   3  15.244  18.964  -0.485
   70   1HZ   LYS   3           HZ1      LYS   3  16.545  21.070  -0.033
   71   2HZ   LYS   3           HZ2      LYS   3  16.611  20.579   1.584
   72   3HZ   LYS   3           HZ3      LYS   3  15.115  20.865   0.848
   73    H    GLY   4           HN       GLY   4  12.924  13.460  -1.784
   74   1HA   GLY   4           HA2      GLY   4  14.605  12.170  -3.247
   75   2HA   GLY   4           HA1      GLY   4  15.137  11.519  -1.703
   76    H    LYS   5           HN       LYS   5  12.934  10.928  -0.355
   77    HA   LYS   5           HA       LYS   5  11.280   9.393  -0.097
   78   1HB   LYS   5           HB2      LYS   5  10.751  10.586  -2.738
   79   2HB   LYS   5           HB1      LYS   5  10.019   9.008  -2.485
   80   1HG   LYS   5           HG2      LYS   5   9.335  10.198  -0.179
   81   2HG   LYS   5           HG1      LYS   5   9.406  11.607  -1.240
   82   1HD   LYS   5           HD2      LYS   5   7.936  10.345  -2.842
   83   2HD   LYS   5           HD1      LYS   5   7.734   9.124  -1.585
   84   1HE   LYS   5           HE2      LYS   5   7.117  11.283  -0.153
   85   2HE   LYS   5           HE1      LYS   5   6.666  11.885  -1.748
   86   1HZ   LYS   5           HZ1      LYS   5   5.388   9.888  -0.107
   87   2HZ   LYS   5           HZ2      LYS   5   5.552   9.437  -1.728
   88   3HZ   LYS   5           HZ3      LYS   5   4.739  10.865  -1.327
   89    H    SER   6           HN       SER   6  11.944   8.632  -3.496
   90    HA   SER   6           HA       SER   6  12.697   6.747  -4.518
   91   1HB   SER   6           HB2      SER   6  14.117   5.798  -2.075
   92   2HB   SER   6           HB1      SER   6  14.670   5.852  -3.748
   93    HG   SER   6           HG       SER   6  14.722   7.831  -1.785
   94    H    SER   7           HN       SER   7  12.955   4.208  -4.038
   95    HA   SER   7           HA       SER   7  10.331   3.392  -3.133
   96   1HB   SER   7           HB2      SER   7  12.600   2.008  -4.539
   97   2HB   SER   7           HB1      SER   7  11.259   1.082  -3.867
   98    HG   SER   7           HG       SER   7   9.850   2.334  -5.164
   99    H    ILE   8           HN       ILE   8  10.430   1.065  -1.996
  100    HA   ILE   8           HA       ILE   8  12.114   1.429   0.393
  101    HB   ILE   8           HB       ILE   8   9.480   1.505   0.494
  102   1HG1  ILE   8          HG12      ILE   8  10.917  -0.207   2.516
  103   2HG1  ILE   8          HG11      ILE   8  11.201   1.525   2.381
  104   1HG2  ILE   8          HG21      ILE   8   9.957  -1.462   0.741
  105   2HG2  ILE   8          HG22      ILE   8   9.202  -0.679  -0.647
  106   3HG2  ILE   8          HG23      ILE   8   8.425  -0.610   0.934
  107   1HD1  ILE   8          HD11      ILE   8   9.440   0.508   4.064
  108   2HD1  ILE   8          HD12      ILE   8   8.398   0.603   2.645
  109   3HD1  ILE   8          HD13      ILE   8   9.179   2.058   3.263
  110    H    SER   9           HN       SER   9  12.531  -0.663   1.584
  111    HA   SER   9           HA       SER   9  14.045  -2.413   0.047
  112   1HB   SER   9           HB2      SER   9  12.990  -3.712   2.423
  113   2HB   SER   9           HB1      SER   9  14.636  -3.176   2.084
  114    HG   SER   9           HG       SER   9  14.281  -1.616   3.426
  115    HA   PRO  10           HA       PRO  10  11.484  -5.683  -1.558
  116   1HB   PRO  10           HB2      PRO  10  11.613  -7.829   0.216
  117   2HB   PRO  10           HB1      PRO  10  12.741  -7.527  -1.108
  118   1HG   PRO  10           HG2      PRO  10  13.004  -6.888   1.793
  119   2HG   PRO  10           HG1      PRO  10  14.237  -7.458   0.651
  120   1HD   PRO  10           HD2      PRO  10  14.136  -4.904   1.412
  121   2HD   PRO  10           HD1      PRO  10  14.547  -5.335  -0.258
  122    H    GLN  11           HN       GLN  11  11.101  -4.826   1.771
  123    HA   GLN  11           HA       GLN  11   8.716  -5.986   2.507
  124   1HB   GLN  11           HB2      GLN  11   9.679  -3.179   3.079
  125   2HB   GLN  11           HB1      GLN  11   8.388  -3.994   3.950
  126   1HG   GLN  11           HG2      GLN  11   9.954  -5.666   4.746
  127   2HG   GLN  11           HG1      GLN  11  11.254  -4.910   3.827
  128   1HE2  GLN  11          HE21      GLN  11  10.665  -2.238   4.338
  129   2HE2  GLN  11          HE22      GLN  11  10.958  -1.913   6.013
  130    H    ALA  12           HN       ALA  12   9.270  -3.464   0.156
  131    HA   ALA  12           HA       ALA  12   6.917  -2.120  -0.015
  132   1HB   ALA  12           HB1      ALA  12   7.576  -1.513  -2.085
  133   2HB   ALA  12           HB2      ALA  12   7.794  -3.181  -2.617
  134   3HB   ALA  12           HB3      ALA  12   9.050  -2.388  -1.666
  135    H    ARG  13           HN       ARG  13   7.534  -5.216  -1.643
  136    HA   ARG  13           HA       ARG  13   4.719  -5.649  -2.129
  137   1HB   ARG  13           HB2      ARG  13   5.422  -7.669  -3.262
  138   2HB   ARG  13           HB1      ARG  13   6.479  -6.349  -3.749
  139   1HG   ARG  13           HG2      ARG  13   7.893  -7.314  -1.687
  140   2HG   ARG  13           HG1      ARG  13   7.078  -8.790  -2.202
  141   1HD   ARG  13           HD2      ARG  13   8.030  -7.424  -4.513
  142   2HD   ARG  13           HD1      ARG  13   9.344  -7.513  -3.341
  143    HE   ARG  13           HE       ARG  13   8.289  -9.656  -4.874
  144   1HH1  ARG  13          HH11      ARG  13   9.627  -8.902  -1.740
  145   2HH1  ARG  13          HH12      ARG  13  10.224 -10.504  -1.471
  146   1HH2  ARG  13          HH21      ARG  13   9.076 -11.764  -4.521
  147   2HH2  ARG  13          HH22      ARG  13   9.913 -12.129  -3.049
  148    H    ALA  14           HN       ALA  14   7.232  -6.885   0.024
  149    HA   ALA  14           HA       ALA  14   5.814  -9.048   1.108
  150   1HB   ALA  14           HB1      ALA  14   8.324  -7.992   1.435
  151   2HB   ALA  14           HB2      ALA  14   7.649  -9.335   2.355
  152   3HB   ALA  14           HB3      ALA  14   7.575  -7.697   3.003
  153    H    PHE  15           HN       PHE  15   6.260  -5.774   2.433
  154    HA   PHE  15           HA       PHE  15   4.591  -6.011   4.621
  155   1HB   PHE  15           HB2      PHE  15   4.874  -3.753   4.902
  156   2HB   PHE  15           HB1      PHE  15   6.176  -4.053   3.768
  157    HD1  PHE  15           HD1      PHE  15   2.538  -3.179   3.695
  158    HD2  PHE  15           HD2      PHE  15   6.405  -2.569   2.032
  159    HE1  PHE  15           HE1      PHE  15   1.616  -1.465   2.191
  160    HE2  PHE  15           HE2      PHE  15   5.488  -0.858   0.522
  161    HZ   PHE  15           HZ       PHE  15   3.092  -0.306   0.600
  162    H    LEU  16           HN       LEU  16   3.812  -4.935   1.330
  163    HA   LEU  16           HA       LEU  16   1.042  -4.591   1.832
  164   1HB   LEU  16           HB2      LEU  16   2.613  -3.842  -0.166
  165   2HB   LEU  16           HB1      LEU  16   1.994  -5.313  -0.891
  166    HG   LEU  16           HG       LEU  16   0.614  -3.553  -1.660
  167   1HD1  LEU  16          HD11      LEU  16  -1.562  -4.135  -0.828
  168   2HD1  LEU  16          HD12      LEU  16  -0.865  -4.797   0.650
  169   3HD1  LEU  16          HD13      LEU  16  -0.572  -5.592  -0.896
  170   1HD2  LEU  16          HD21      LEU  16  -0.401  -1.903  -0.234
  171   2HD2  LEU  16          HD22      LEU  16   1.340  -1.919   0.047
  172   3HD2  LEU  16          HD23      LEU  16   0.256  -2.690   1.202
  173    H    GLU  17           HN       GLU  17   3.043  -7.308   0.982
  174    HA   GLU  17           HA       GLU  17   1.135  -9.095   0.011
  175   1HB   GLU  17           HB2      GLU  17   3.845  -9.206   0.900
  176   2HB   GLU  17           HB1      GLU  17   2.967 -10.510   1.690
  177   1HG   GLU  17           HG2      GLU  17   3.904 -11.340  -0.340
  178   2HG   GLU  17           HG1      GLU  17   2.154 -11.245  -0.530
  179    H    GLN  18           HN       GLN  18   2.416  -9.016   3.322
  180    HA   GLN  18           HA       GLN  18   0.409 -10.606   4.452
  181   1HB   GLN  18           HB2      GLN  18   1.154  -9.400   6.623
  182   2HB   GLN  18           HB1      GLN  18   2.313 -10.408   5.769
  183   1HG   GLN  18           HG2      GLN  18   3.714  -8.705   5.637
  184   2HG   GLN  18           HG1      GLN  18   2.522  -7.781   4.728
  185   1HE2  GLN  18          HE21      GLN  18   0.573  -7.519   6.718
  186   2HE2  GLN  18          HE22      GLN  18   1.194  -6.479   7.958
  187    H    VAL  19           HN       VAL  19   0.528  -7.212   3.688
  188    HA   VAL  19           HA       VAL  19  -1.582  -6.288   5.312
  189    HB   VAL  19           HB       VAL  19  -0.486  -5.306   2.679
  190   1HG1  VAL  19          HG11      VAL  19  -2.857  -4.366   4.175
  191   2HG1  VAL  19          HG12      VAL  19  -2.498  -4.291   2.450
  192   3HG1  VAL  19          HG13      VAL  19  -1.753  -3.139   3.556
  193   1HG2  VAL  19          HG21      VAL  19   0.559  -5.169   5.186
  194   2HG2  VAL  19          HG22      VAL  19  -0.303  -3.634   5.068
  195   3HG2  VAL  19          HG23      VAL  19   0.922  -4.051   3.874
  196    H    PHE  20           HN       PHE  20  -1.638  -7.083   1.833
  197    HA   PHE  20           HA       PHE  20  -4.475  -7.083   1.676
  198   1HB   PHE  20           HB2      PHE  20  -3.201  -6.649  -0.312
  199   2HB   PHE  20           HB1      PHE  20  -2.342  -8.175  -0.165
  200    HD1  PHE  20           HD1      PHE  20  -5.315  -6.519  -1.374
  201    HD2  PHE  20           HD2      PHE  20  -3.536 -10.305  -0.592
  202    HE1  PHE  20           HE1      PHE  20  -6.989  -7.601  -2.818
  203    HE2  PHE  20           HE2      PHE  20  -5.206 -11.393  -2.034
  204    HZ   PHE  20           HZ       PHE  20  -6.935 -10.040  -3.149
  205    H    ARG  21           HN       ARG  21  -2.270  -9.323   2.929
  206    HA   ARG  21           HA       ARG  21  -3.831 -11.684   2.349
  207   1HB   ARG  21           HB2      ARG  21  -1.195 -11.252   2.972
  208   2HB   ARG  21           HB1      ARG  21  -1.836 -11.859   4.487
  209   1HG   ARG  21           HG2      ARG  21  -1.363 -13.860   3.592
  210   2HG   ARG  21           HG1      ARG  21  -2.901 -13.635   2.756
  211   1HD   ARG  21           HD2      ARG  21  -1.697 -12.648   0.852
  212   2HD   ARG  21           HD1      ARG  21  -0.171 -12.930   1.685
  213    HE   ARG  21           HE       ARG  21  -1.378 -15.383   1.590
  214   1HH1  ARG  21          HH11      ARG  21  -0.428 -13.000  -0.776
  215   2HH1  ARG  21          HH12      ARG  21  -0.157 -14.167  -2.026
  216   1HH2  ARG  21          HH21      ARG  21  -1.022 -16.919  -0.051
  217   2HH2  ARG  21          HH22      ARG  21  -0.495 -16.393  -1.615
  218    H    ARG  22           HN       ARG  22  -3.343  -9.459   5.022
  219    HA   ARG  22           HA       ARG  22  -4.575 -10.929   7.061
  220   1HB   ARG  22           HB2      ARG  22  -4.165  -8.001   6.561
  221   2HB   ARG  22           HB1      ARG  22  -5.128  -8.531   7.932
  222   1HG   ARG  22           HG2      ARG  22  -3.276  -9.714   8.867
  223   2HG   ARG  22           HG1      ARG  22  -2.304  -9.432   7.422
  224   1HD   ARG  22           HD2      ARG  22  -1.519  -7.833   8.917
  225   2HD   ARG  22           HD1      ARG  22  -2.667  -6.936   7.926
  226    HE   ARG  22           HE       ARG  22  -3.950  -6.609   9.786
  227   1HH1  ARG  22          HH11      ARG  22  -1.745  -9.241  10.407
  228   2HH1  ARG  22          HH12      ARG  22  -2.176  -9.372  12.080
  229   1HH2  ARG  22          HH21      ARG  22  -4.517  -6.779  11.985
  230   2HH2  ARG  22          HH22      ARG  22  -3.749  -7.975  12.976
  231    H    LYS  23           HN       LYS  23  -5.882  -8.801   4.597
  232    HA   LYS  23           HA       LYS  23  -8.450 -10.065   4.777
  233   1HB   LYS  23           HB2      LYS  23  -9.783  -8.167   5.356
  234   2HB   LYS  23           HB1      LYS  23  -8.575  -8.384   6.614
  235   1HG   LYS  23           HG2      LYS  23  -7.352  -6.517   5.908
  236   2HG   LYS  23           HG1      LYS  23  -8.188  -6.446   4.357
  237   1HD   LYS  23           HD2      LYS  23  -9.243  -5.726   7.081
  238   2HD   LYS  23           HD1      LYS  23  -9.081  -4.695   5.664
  239   1HE   LYS  23           HE2      LYS  23 -11.318  -5.102   5.571
  240   2HE   LYS  23           HE1      LYS  23 -10.736  -6.464   4.618
  241   1HZ   LYS  23           HZ1      LYS  23 -12.047  -7.591   6.047
  242   2HZ   LYS  23           HZ2      LYS  23 -11.929  -6.431   7.272
  243   3HZ   LYS  23           HZ3      LYS  23 -10.672  -7.537   7.033
  244    H    GLN  24           HN       GLN  24  -9.677  -7.552   3.518
  245    HA   GLN  24           HA       GLN  24  -8.218  -7.542   0.983
  246   1HB   GLN  24           HB2      GLN  24 -11.125  -7.751   0.633
  247   2HB   GLN  24           HB1      GLN  24  -9.829  -8.525  -0.258
  248   1HG   GLN  24           HG2      GLN  24  -9.706  -9.892   2.064
  249   2HG   GLN  24           HG1      GLN  24 -11.421  -9.499   2.010
  250   1HE2  GLN  24          HE21      GLN  24 -10.344 -12.096   1.852
  251   2HE2  GLN  24          HE22      GLN  24 -10.735 -12.743   0.293
  252    H    SER  25           HN       SER  25 -11.095  -6.333   2.652
  253    HA   SER  25           HA       SER  25 -10.928  -3.848   1.136
  254   1HB   SER  25           HB2      SER  25 -13.092  -5.054   1.391
  255   2HB   SER  25           HB1      SER  25 -13.037  -4.708   3.118
  256    HG   SER  25           HG       SER  25 -14.253  -3.124   2.105
  257    H    LEU  26           HN       LEU  26  -9.004  -3.052   2.187
  258    HA   LEU  26           HA       LEU  26  -9.019  -2.453   4.988
  259   1HB   LEU  26           HB2      LEU  26  -7.294  -1.186   2.859
  260   2HB   LEU  26           HB1      LEU  26  -6.978  -1.232   4.581
  261    HG   LEU  26           HG       LEU  26  -6.548  -3.324   2.517
  262   1HD1  LEU  26          HD11      LEU  26  -4.979  -1.769   4.227
  263   2HD1  LEU  26          HD12      LEU  26  -4.449  -3.099   3.196
  264   3HD1  LEU  26          HD13      LEU  26  -4.898  -3.407   4.872
  265   1HD2  LEU  26          HD21      LEU  26  -7.284  -3.929   5.373
  266   2HD2  LEU  26          HD22      LEU  26  -6.467  -5.063   4.297
  267   3HD2  LEU  26          HD23      LEU  26  -8.093  -4.500   3.914
  268    H    ASN  27           HN       ASN  27 -10.230  -0.905   5.890
  269    HA   ASN  27           HA       ASN  27 -11.229   1.269   4.218
  270   1HB   ASN  27           HB2      ASN  27 -12.903   1.623   5.837
  271   2HB   ASN  27           HB1      ASN  27 -12.710  -0.125   5.780
  272   1HD2  ASN  27          HD21      ASN  27 -11.746  -1.190   7.511
  273   2HD2  ASN  27          HD22      ASN  27 -11.562  -0.439   9.062
  274    H    SER  28           HN       SER  28 -11.484   3.433   5.539
  275    HA   SER  28           HA       SER  28  -9.078   4.694   5.702
  276   1HB   SER  28           HB2      SER  28 -11.724   5.239   6.991
  277   2HB   SER  28           HB1      SER  28 -10.334   6.235   7.437
  278    HG   SER  28           HG       SER  28 -11.859   6.400   5.261
  279    H    LYS  29           HN       LYS  29 -10.569   2.704   8.133
  280    HA   LYS  29           HA       LYS  29  -8.801   3.469  10.253
  281   1HB   LYS  29           HB2      LYS  29 -10.727   1.171   9.919
  282   2HB   LYS  29           HB1      LYS  29  -9.820   1.475  11.391
  283   1HG   LYS  29           HG2      LYS  29 -11.925   3.225  10.150
  284   2HG   LYS  29           HG1      LYS  29 -12.014   2.352  11.680
  285   1HD   LYS  29           HD2      LYS  29 -11.306   4.227  12.659
  286   2HD   LYS  29           HD1      LYS  29  -9.732   3.907  11.925
  287   1HE   LYS  29           HE2      LYS  29 -10.120   5.373  10.158
  288   2HE   LYS  29           HE1      LYS  29 -11.871   5.343  10.393
  289   1HZ   LYS  29           HZ1      LYS  29 -10.369   7.350  11.192
  290   2HZ   LYS  29           HZ2      LYS  29 -10.252   6.395  12.583
  291   3HZ   LYS  29           HZ3      LYS  29 -11.770   6.890  12.023
  292    H    GLU  30           HN       GLU  30  -9.140   0.629   8.159
  293    HA   GLU  30           HA       GLU  30  -6.840  -0.685   9.188
  294   1HB   GLU  30           HB2      GLU  30  -8.256  -1.119   6.552
  295   2HB   GLU  30           HB1      GLU  30  -7.115  -2.221   7.313
  296   1HG   GLU  30           HG2      GLU  30  -9.110  -1.718   9.222
  297   2HG   GLU  30           HG1      GLU  30  -9.944  -1.974   7.690
  298    H    LYS  31           HN       LYS  31  -7.495   1.438   6.464
  299    HA   LYS  31           HA       LYS  31  -5.030   1.154   5.163
  300   1HB   LYS  31           HB2      LYS  31  -5.739   2.863   3.815
  301   2HB   LYS  31           HB1      LYS  31  -7.273   2.401   4.529
  302   1HG   LYS  31           HG2      LYS  31  -7.122   4.211   6.123
  303   2HG   LYS  31           HG1      LYS  31  -5.527   4.644   5.495
  304   1HD   LYS  31           HD2      LYS  31  -6.432   5.304   3.408
  305   2HD   LYS  31           HD1      LYS  31  -8.006   4.604   3.792
  306   1HE   LYS  31           HE2      LYS  31  -7.815   6.306   5.830
  307   2HE   LYS  31           HE1      LYS  31  -6.788   7.161   4.678
  308   1HZ   LYS  31           HZ1      LYS  31  -9.449   6.198   3.857
  309   2HZ   LYS  31           HZ2      LYS  31  -8.534   7.471   3.224
  310   3HZ   LYS  31           HZ3      LYS  31  -9.302   7.646   4.720
  311    H    GLU  32           HN       GLU  32  -6.053   3.073   7.904
  312    HA   GLU  32           HA       GLU  32  -3.490   4.443   8.059
  313   1HB   GLU  32           HB2      GLU  32  -4.456   5.762   9.788
  314   2HB   GLU  32           HB1      GLU  32  -5.695   5.573   8.554
  315   1HG   GLU  32           HG2      GLU  32  -6.874   3.983   9.861
  316   2HG   GLU  32           HG1      GLU  32  -5.550   3.857  11.018
  317    H    GLU  33           HN       GLU  33  -5.315   1.943   9.706
  318    HA   GLU  33           HA       GLU  33  -3.479   1.611  11.871
  319   1HB   GLU  33           HB2      GLU  33  -5.729  -0.083  10.785
  320   2HB   GLU  33           HB1      GLU  33  -4.791  -0.532  12.199
  321   1HG   GLU  33           HG2      GLU  33  -5.930   2.176  12.238
  322   2HG   GLU  33           HG1      GLU  33  -7.091   0.853  12.290
  323    H    VAL  34           HN       VAL  34  -3.970   0.167   8.731
  324    HA   VAL  34           HA       VAL  34  -2.029  -1.929   9.082
  325    HB   VAL  34           HB       VAL  34  -3.447  -0.904   6.610
  326   1HG1  VAL  34          HG11      VAL  34  -1.134  -2.132   6.368
  327   2HG1  VAL  34          HG12      VAL  34  -2.489  -2.539   5.317
  328   3HG1  VAL  34          HG13      VAL  34  -2.106  -3.565   6.698
  329   1HG2  VAL  34          HG21      VAL  34  -4.996  -2.579   6.898
  330   2HG2  VAL  34          HG22      VAL  34  -4.657  -2.136   8.571
  331   3HG2  VAL  34          HG23      VAL  34  -3.907  -3.569   7.869
  332    H    ALA  35           HN       ALA  35  -2.165   1.260   7.605
  333    HA   ALA  35           HA       ALA  35   0.332   1.176   6.307
  334   1HB   ALA  35           HB1      ALA  35  -1.621   3.245   6.998
  335   2HB   ALA  35           HB2      ALA  35  -0.780   2.929   5.482
  336   3HB   ALA  35           HB3      ALA  35   0.034   3.803   6.773
  337    H    LYS  36           HN       LYS  36  -0.556   1.913   9.608
  338    HA   LYS  36           HA       LYS  36   2.069   2.966  10.233
  339   1HB   LYS  36           HB2      LYS  36   1.194   3.384  12.433
  340   2HB   LYS  36           HB1      LYS  36   0.014   3.905  11.239
  341   1HG   LYS  36           HG2      LYS  36  -1.256   1.846  11.596
  342   2HG   LYS  36           HG1      LYS  36  -0.079   1.339  12.810
  343   1HD   LYS  36           HD2      LYS  36  -1.262   4.021  13.177
  344   2HD   LYS  36           HD1      LYS  36  -2.353   2.652  13.400
  345   1HE   LYS  36           HE2      LYS  36  -1.084   1.776  15.155
  346   2HE   LYS  36           HE1      LYS  36   0.336   2.728  14.722
  347   1HZ   LYS  36           HZ1      LYS  36  -2.121   3.603  16.097
  348   2HZ   LYS  36           HZ2      LYS  36  -1.143   4.722  15.292
  349   3HZ   LYS  36           HZ3      LYS  36  -0.510   3.811  16.568
  350    H    LYS  37           HN       LYS  37   0.514  -0.105  10.315
  351    HA   LYS  37           HA       LYS  37   2.556  -1.136  12.161
  352   1HB   LYS  37           HB2      LYS  37   1.140  -3.030  12.532
  353   2HB   LYS  37           HB1      LYS  37   0.156  -1.582  12.685
  354   1HG   LYS  37           HG2      LYS  37  -0.687  -1.931  10.410
  355   2HG   LYS  37           HG1      LYS  37   0.272  -3.406  10.290
  356   1HD   LYS  37           HD2      LYS  37  -1.762  -2.970  12.465
  357   2HD   LYS  37           HD1      LYS  37  -2.181  -3.682  10.905
  358   1HE   LYS  37           HE2      LYS  37  -0.193  -4.740  12.909
  359   2HE   LYS  37           HE1      LYS  37  -1.755  -5.443  12.494
  360   1HZ   LYS  37           HZ1      LYS  37  -0.754  -5.513  10.127
  361   2HZ   LYS  37           HZ2      LYS  37  -0.303  -6.694  11.250
  362   3HZ   LYS  37           HZ3      LYS  37   0.734  -5.398  10.925
  363    H    CYS  38           HN       CYS  38   1.511  -1.224   8.868
  364    HA   CYS  38           HA       CYS  38   3.233  -3.523   8.312
  365   1HB   CYS  38           HB2      CYS  38   1.293  -2.092   6.490
  366   2HB   CYS  38           HB1      CYS  38   2.165  -3.577   6.117
  367    HG   CYS  38           HG       CYS  38   0.257  -4.754   7.081
  368    H    GLY  39           HN       GLY  39   3.063  -0.077   7.890
  369   1HA   GLY  39           HA2      GLY  39   5.199   1.047   7.567
  370   2HA   GLY  39           HA1      GLY  39   5.642  -0.231   6.449
  371    H    ILE  40           HN       ILE  40   2.456   1.203   6.375
  372    HA   ILE  40           HA       ILE  40   3.220   2.572   3.880
  373    HB   ILE  40           HB       ILE  40   0.372   2.133   4.082
  374   1HG1  ILE  40          HG12      ILE  40   2.018  -0.392   3.942
  375   2HG1  ILE  40          HG11      ILE  40   1.160   0.118   5.384
  376   1HG2  ILE  40          HG21      ILE  40   1.919   0.734   2.012
  377   2HG2  ILE  40          HG22      ILE  40   2.198   2.473   2.115
  378   3HG2  ILE  40          HG23      ILE  40   0.566   1.856   1.858
  379   1HD1  ILE  40          HD11      ILE  40  -0.148  -0.388   2.727
  380   2HD1  ILE  40          HD12      ILE  40  -0.948  -0.060   4.265
  381   3HD1  ILE  40          HD13      ILE  40  -0.052  -1.563   4.039
  382    H    THR  41           HN       THR  41   0.832   4.036   3.554
  383    HA   THR  41           HA       THR  41   0.456   5.574   5.988
  384    HB   THR  41           HB       THR  41   1.034   7.404   3.807
  385    HG1  THR  41           HG1      THR  41   3.098   6.931   3.448
  386   1HG2  THR  41          HG21      THR  41   2.898   7.740   5.853
  387   2HG2  THR  41          HG22      THR  41   1.402   7.242   6.644
  388   3HG2  THR  41          HG23      THR  41   1.414   8.655   5.586
  389    HA   PRO  42           HA       PRO  42  -3.670   6.290   4.661
  390   1HB   PRO  42           HB2      PRO  42  -3.140   9.217   4.898
  391   2HB   PRO  42           HB1      PRO  42  -4.441   8.249   5.600
  392   1HG   PRO  42           HG2      PRO  42  -2.410   9.069   7.105
  393   2HG   PRO  42           HG1      PRO  42  -3.100   7.449   7.317
  394   1HD   PRO  42           HD2      PRO  42  -0.550   8.269   6.003
  395   2HD   PRO  42           HD1      PRO  42  -0.911   6.819   6.962
  396    H    LEU  43           HN       LEU  43  -1.083   8.060   3.129
  397    HA   LEU  43           HA       LEU  43  -2.714   8.746   0.829
  398   1HB   LEU  43           HB2      LEU  43  -1.303  10.476   0.845
  399   2HB   LEU  43           HB1      LEU  43  -0.263   9.690   2.014
  400    HG   LEU  43           HG       LEU  43   0.860   8.492   0.135
  401   1HD1  LEU  43          HD11      LEU  43  -1.340   9.303  -1.319
  402   2HD1  LEU  43          HD12      LEU  43   0.138   8.592  -1.964
  403   3HD1  LEU  43          HD13      LEU  43  -0.043  10.345  -1.904
  404   1HD2  LEU  43          HD21      LEU  43   2.331  10.201  -0.216
  405   2HD2  LEU  43          HD22      LEU  43   1.429  10.867   1.146
  406   3HD2  LEU  43          HD23      LEU  43   1.057  11.388  -0.497
  407    H    GLN  44           HN       GLN  44  -0.280   6.441   1.816
  408    HA   GLN  44           HA       GLN  44   0.170   5.463  -0.854
  409   1HB   GLN  44           HB2      GLN  44   0.878   3.879   1.574
  410   2HB   GLN  44           HB1      GLN  44   1.733   4.009   0.046
  411   1HG   GLN  44           HG2      GLN  44   1.578   6.153   2.153
  412   2HG   GLN  44           HG1      GLN  44   2.947   5.081   1.871
  413   1HE2  GLN  44          HE21      GLN  44   2.863   7.969   1.774
  414   2HE2  GLN  44          HE22      GLN  44   3.348   8.423   0.173
  415    H    VAL  45           HN       VAL  45  -1.244   4.065   2.088
  416    HA   VAL  45           HA       VAL  45  -2.235   1.718   1.317
  417    HB   VAL  45           HB       VAL  45  -4.233   2.129   2.733
  418   1HG1  VAL  45          HG11      VAL  45  -2.257   3.296   4.453
  419   2HG1  VAL  45          HG12      VAL  45  -1.510   2.090   3.407
  420   3HG1  VAL  45          HG13      VAL  45  -2.878   1.647   4.429
  421   1HG2  VAL  45          HG21      VAL  45  -3.963   4.443   3.981
  422   2HG2  VAL  45          HG22      VAL  45  -4.912   4.306   2.501
  423   3HG2  VAL  45          HG23      VAL  45  -3.262   4.927   2.437
  424    H    ARG  46           HN       ARG  46  -3.745   4.819   0.432
  425    HA   ARG  46           HA       ARG  46  -5.892   3.597  -0.974
  426   1HB   ARG  46           HB2      ARG  46  -5.985   5.975  -2.054
  427   2HB   ARG  46           HB1      ARG  46  -6.452   5.744  -0.381
  428   1HG   ARG  46           HG2      ARG  46  -4.804   7.041   0.373
  429   2HG   ARG  46           HG1      ARG  46  -3.622   6.349  -0.732
  430   1HD   ARG  46           HD2      ARG  46  -4.223   8.832  -0.997
  431   2HD   ARG  46           HD1      ARG  46  -4.176   7.828  -2.446
  432    HE   ARG  46           HE       ARG  46  -6.395   8.248  -2.736
  433   1HH1  ARG  46          HH11      ARG  46  -5.603   8.855   0.609
  434   2HH1  ARG  46          HH12      ARG  46  -7.182   9.448   1.005
  435   1HH2  ARG  46          HH21      ARG  46  -8.471   9.026  -2.216
  436   2HH2  ARG  46          HH22      ARG  46  -8.811   9.544  -0.599
  437    H    VAL  47           HN       VAL  47  -3.040   5.398  -2.205
  438    HA   VAL  47           HA       VAL  47  -3.450   4.639  -4.901
  439    HB   VAL  47           HB       VAL  47  -1.220   5.469  -5.335
  440   1HG1  VAL  47          HG11      VAL  47  -2.140   7.318  -3.193
  441   2HG1  VAL  47          HG12      VAL  47  -3.224   6.983  -4.544
  442   3HG1  VAL  47          HG13      VAL  47  -1.626   7.666  -4.844
  443   1HG2  VAL  47          HG21      VAL  47   0.079   4.497  -3.611
  444   2HG2  VAL  47          HG22      VAL  47  -0.887   5.267  -2.353
  445   3HG2  VAL  47          HG23      VAL  47   0.179   6.241  -3.363
  446    H    TRP  48           HN       TRP  48  -1.348   3.353  -2.379
  447    HA   TRP  48           HA       TRP  48  -0.018   1.427  -3.889
  448   1HB   TRP  48           HB2      TRP  48  -0.084   2.294  -1.209
  449   2HB   TRP  48           HB1      TRP  48  -0.357   0.560  -1.169
  450    HD1  TRP  48           HD1      TRP  48   2.315   3.150  -1.739
  451    HE1  TRP  48           HE1      TRP  48   4.580   1.986  -2.113
  452    HE3  TRP  48           HE3      TRP  48   0.682  -1.666  -2.233
  453    HZ2  TRP  48           HZ2      TRP  48   5.546  -0.628  -2.556
  454    HZ3  TRP  48           HZ3      TRP  48   2.339  -3.438  -2.627
  455    HH2  TRP  48           HH2      TRP  48   4.720  -2.932  -2.786
  456    H    PHE  49           HN       PHE  49  -2.878   1.046  -1.759
  457    HA   PHE  49           HA       PHE  49  -3.284  -1.679  -2.449
  458   1HB   PHE  49           HB2      PHE  49  -5.216   0.347  -1.299
  459   2HB   PHE  49           HB1      PHE  49  -5.538  -1.375  -1.432
  460    HD1  PHE  49           HD1      PHE  49  -2.647  -2.213  -0.671
  461    HD2  PHE  49           HD2      PHE  49  -5.475   0.454   1.064
  462    HE1  PHE  49           HE1      PHE  49  -1.629  -2.571   1.540
  463    HE2  PHE  49           HE2      PHE  49  -4.456   0.103   3.273
  464    HZ   PHE  49           HZ       PHE  49  -2.532  -1.405   3.514
  465    H    ILE  50           HN       ILE  50  -4.176   1.323  -3.964
  466    HA   ILE  50           HA       ILE  50  -6.389   0.518  -5.454
  467    HB   ILE  50           HB       ILE  50  -4.358   2.650  -5.710
  468   1HG1  ILE  50          HG12      ILE  50  -6.550   2.898  -4.557
  469   2HG1  ILE  50          HG11      ILE  50  -6.322   4.056  -5.863
  470   1HG2  ILE  50          HG21      ILE  50  -5.967   1.735  -8.086
  471   2HG2  ILE  50          HG22      ILE  50  -4.213   1.879  -7.966
  472   3HG2  ILE  50          HG23      ILE  50  -5.219   3.328  -7.955
  473   1HD1  ILE  50          HD11      ILE  50  -8.069   3.275  -7.007
  474   2HD1  ILE  50          HD12      ILE  50  -8.535   2.525  -5.480
  475   3HD1  ILE  50          HD13      ILE  50  -7.651   1.592  -6.688
  476    H    ASN  51           HN       ASN  51  -2.953   0.455  -6.408
  477    HA   ASN  51           HA       ASN  51  -3.521  -1.088  -8.773
  478   1HB   ASN  51           HB2      ASN  51  -0.911  -0.271  -7.480
  479   2HB   ASN  51           HB1      ASN  51  -1.030  -1.131  -9.012
  480   1HD2  ASN  51          HD21      ASN  51  -1.555   1.875  -7.356
  481   2HD2  ASN  51          HD22      ASN  51  -1.770   2.852  -8.773
  482    H    LYS  52           HN       LYS  52  -2.506  -1.691  -5.501
  483    HA   LYS  52           HA       LYS  52  -1.845  -4.474  -6.073
  484   1HB   LYS  52           HB2      LYS  52  -1.623  -2.733  -3.632
  485   2HB   LYS  52           HB1      LYS  52  -1.419  -4.474  -3.534
  486   1HG   LYS  52           HG2      LYS  52   0.235  -2.556  -5.160
  487   2HG   LYS  52           HG1      LYS  52   0.729  -3.408  -3.697
  488   1HD   LYS  52           HD2      LYS  52  -0.124  -5.441  -5.352
  489   2HD   LYS  52           HD1      LYS  52   0.667  -4.322  -6.464
  490   1HE   LYS  52           HE2      LYS  52   2.715  -4.475  -5.340
  491   2HE   LYS  52           HE1      LYS  52   1.971  -5.158  -3.895
  492   1HZ   LYS  52           HZ1      LYS  52   2.801  -6.469  -6.350
  493   2HZ   LYS  52           HZ2      LYS  52   1.342  -7.012  -5.690
  494   3HZ   LYS  52           HZ3      LYS  52   2.757  -7.062  -4.766
  495    H    ARG  53           HN       ARG  53  -4.641  -3.051  -5.959
  496    HA   ARG  53           HA       ARG  53  -6.108  -5.311  -5.145
  497   1HB   ARG  53           HB2      ARG  53  -5.378  -4.353  -2.903
  498   2HB   ARG  53           HB1      ARG  53  -6.397  -2.969  -3.269
  499   1HG   ARG  53           HG2      ARG  53  -8.150  -4.954  -3.706
  500   2HG   ARG  53           HG1      ARG  53  -7.140  -5.691  -2.464
  501   1HD   ARG  53           HD2      ARG  53  -9.036  -4.501  -1.482
  502   2HD   ARG  53           HD1      ARG  53  -7.503  -3.770  -1.010
  503    HE   ARG  53           HE       ARG  53  -8.353  -2.401  -3.252
  504   1HH1  ARG  53          HH11      ARG  53  -9.544  -2.986  -0.024
  505   2HH1  ARG  53          HH12      ARG  53 -10.402  -1.485   0.066
  506   1HH2  ARG  53          HH21      ARG  53  -9.481  -0.427  -3.135
  507   2HH2  ARG  53          HH22      ARG  53 -10.366  -0.032  -1.700
  508    H    MET  54           HN       MET  54  -5.962  -3.452  -7.347
  509    HA   MET  54           HA       MET  54  -7.974  -1.540  -7.387
  510   1HB   MET  54           HB2      MET  54  -6.158  -2.500  -9.202
  511   2HB   MET  54           HB1      MET  54  -7.682  -3.038  -9.897
  512   1HG   MET  54           HG2      MET  54  -8.308  -0.491  -9.307
  513   2HG   MET  54           HG1      MET  54  -6.580  -0.326  -9.608
  514   1HE   MET  54           HE1      MET  54  -5.411  -1.260 -11.392
  515   2HE   MET  54           HE2      MET  54  -5.822  -0.146 -12.696
  516   3HE   MET  54           HE3      MET  54  -6.035  -1.883 -12.919
  517    H    ARG  55           HN       ARG  55  -9.735  -2.388  -6.209
  518    HA   ARG  55           HA       ARG  55 -11.114  -4.747  -6.895
  519   1HB   ARG  55           HB2      ARG  55 -12.022  -2.263  -5.436
  520   2HB   ARG  55           HB1      ARG  55 -12.992  -3.722  -5.575
  521   1HG   ARG  55           HG2      ARG  55 -10.348  -4.339  -4.609
  522   2HG   ARG  55           HG1      ARG  55 -11.124  -3.113  -3.602
  523   1HD   ARG  55           HD2      ARG  55 -11.552  -5.453  -2.866
  524   2HD   ARG  55           HD1      ARG  55 -13.014  -4.531  -3.219
  525    HE   ARG  55           HE       ARG  55 -13.482  -5.996  -4.911
  526   1HH1  ARG  55          HH11      ARG  55 -10.131  -6.367  -4.006
  527   2HH1  ARG  55          HH12      ARG  55  -9.887  -7.760  -5.003
  528   1HH2  ARG  55          HH21      ARG  55 -13.162  -7.829  -6.223
  529   2HH2  ARG  55          HH22      ARG  55 -11.606  -8.591  -6.263
  530    H    SER  56           HN       SER  56 -11.618  -1.356  -7.785
  531    HA   SER  56           HA       SER  56 -13.200  -2.264 -10.082
  532   1HB   SER  56           HB2      SER  56 -14.278  -0.914  -7.830
  533   2HB   SER  56           HB1      SER  56 -14.262   0.238  -9.165
  534    HG   SER  56           HG       SER  56 -15.754  -2.053  -8.820
  535    H    LYS  57           HN       LYS  57 -11.687   0.569  -8.545
  536    HA   LYS  57           HA       LYS  57 -10.056   1.123 -10.795
  537   1HB   LYS  57           HB2      LYS  57 -12.711   2.327 -10.736
  538   2HB   LYS  57           HB1      LYS  57 -11.434   3.532 -10.816
  539   1HG   LYS  57           HG2      LYS  57 -11.101   1.277 -12.660
  540   2HG   LYS  57           HG1      LYS  57 -12.523   2.278 -12.959
  541   1HD   LYS  57           HD2      LYS  57 -11.170   4.254 -13.132
  542   2HD   LYS  57           HD1      LYS  57  -9.731   3.367 -12.626
  543   1HE   LYS  57           HE2      LYS  57  -9.392   2.496 -14.673
  544   2HE   LYS  57           HE1      LYS  57 -11.114   2.247 -14.961
  545   1HZ   LYS  57           HZ1      LYS  57 -11.078   4.848 -15.128
  546   2HZ   LYS  57           HZ2      LYS  57 -10.676   3.885 -16.459
  547   3HZ   LYS  57           HZ3      LYS  57  -9.453   4.591 -15.528
  Start of MODEL   13
    1   1H    LYS  -3           HT1      LYS  -3  11.241   8.720  13.394
    2   2H    LYS  -3           HT2      LYS  -3  10.393   9.970  14.206
    3   3H    LYS  -3           HT3      LYS  -3  12.109   9.984  14.159
    4    HA   LYS  -3           HA       LYS  -3  10.453  10.085  11.741
    5   1HB   LYS  -3           HB2      LYS  -3  10.457  11.987  13.758
    6   2HB   LYS  -3           HB1      LYS  -3  11.661  12.593  12.631
    7   1HG   LYS  -3           HG2      LYS  -3   9.627  13.571  11.987
    8   2HG   LYS  -3           HG1      LYS  -3   9.928  12.285  10.816
    9   1HD   LYS  -3           HD2      LYS  -3   7.637  12.134  11.413
   10   2HD   LYS  -3           HD1      LYS  -3   8.459  10.808  12.237
   11   1HE   LYS  -3           HE2      LYS  -3   6.888  11.886  13.739
   12   2HE   LYS  -3           HE1      LYS  -3   8.542  12.151  14.290
   13   1HZ   LYS  -3           HZ1      LYS  -3   7.060  14.128  12.653
   14   2HZ   LYS  -3           HZ2      LYS  -3   8.496  14.363  13.515
   15   3HZ   LYS  -3           HZ3      LYS  -3   7.039  14.140  14.345
   16    H    LYS  -2           HN       LYS  -2  11.770   9.473  10.156
   17    HA   LYS  -2           HA       LYS  -2  14.602  10.281  10.295
   18   1HB   LYS  -2           HB2      LYS  -2  15.041   8.285   8.834
   19   2HB   LYS  -2           HB1      LYS  -2  14.504   7.903  10.464
   20   1HG   LYS  -2           HG2      LYS  -2  12.203   7.602   9.566
   21   2HG   LYS  -2           HG1      LYS  -2  12.864   7.813   7.943
   22   1HD   LYS  -2           HD2      LYS  -2  14.066   5.780   9.772
   23   2HD   LYS  -2           HD1      LYS  -2  12.551   5.415   8.942
   24   1HE   LYS  -2           HE2      LYS  -2  13.742   4.832   7.158
   25   2HE   LYS  -2           HE1      LYS  -2  14.234   6.517   6.994
   26   1HZ   LYS  -2           HZ1      LYS  -2  16.274   5.636   7.213
   27   2HZ   LYS  -2           HZ2      LYS  -2  15.726   4.240   7.996
   28   3HZ   LYS  -2           HZ3      LYS  -2  15.929   5.674   8.869
   29    H    GLU  -1           HN       GLU  -1  12.107  11.547   9.055
   30    HA   GLU  -1           HA       GLU  -1  11.520  12.669   7.163
   31   1HB   GLU  -1           HB2      GLU  -1  13.734  13.704   7.671
   32   2HB   GLU  -1           HB1      GLU  -1  14.482  12.552   6.573
   33   1HG   GLU  -1           HG2      GLU  -1  12.415  13.726   5.113
   34   2HG   GLU  -1           HG1      GLU  -1  13.172  15.046   6.003
   35    H    LYS   0           HN       LYS   0  10.333  10.999   6.195
   36    HA   LYS   0           HA       LYS   0  11.701   9.235   4.323
   37   1HB   LYS   0           HB2      LYS   0   8.738   9.360   4.865
   38   2HB   LYS   0           HB1      LYS   0   9.652   8.028   4.170
   39   1HG   LYS   0           HG2      LYS   0  10.823   7.776   6.349
   40   2HG   LYS   0           HG1      LYS   0   9.743   9.001   7.016
   41   1HD   LYS   0           HD2      LYS   0   8.640   6.582   5.636
   42   2HD   LYS   0           HD1      LYS   0   9.153   6.498   7.323
   43   1HE   LYS   0           HE2      LYS   0   6.878   7.000   7.452
   44   2HE   LYS   0           HE1      LYS   0   7.670   8.559   7.673
   45   1HZ   LYS   0           HZ1      LYS   0   5.691   8.167   5.958
   46   2HZ   LYS   0           HZ2      LYS   0   6.998   7.831   4.938
   47   3HZ   LYS   0           HZ3      LYS   0   6.897   9.330   5.717
   48    H    SER   1           HN       SER   1  11.594   9.384   2.143
   49    HA   SER   1           HA       SER   1   9.802  11.383   0.963
   50   1HB   SER   1           HB2      SER   1  12.269  12.171   1.359
   51   2HB   SER   1           HB1      SER   1  12.618  11.165  -0.047
   52    HG   SER   1           HG       SER   1  11.550  13.619   0.035
   53    HA   PRO   2           HA       PRO   2   9.799   7.141  -1.136
   54   1HB   PRO   2           HB2      PRO   2   6.927   7.909  -1.232
   55   2HB   PRO   2           HB1      PRO   2   7.662   6.346  -0.857
   56   1HG   PRO   2           HG2      PRO   2   6.622   7.861   1.073
   57   2HG   PRO   2           HG1      PRO   2   8.111   6.935   1.340
   58   1HD   PRO   2           HD2      PRO   2   7.758   9.860   0.845
   59   2HD   PRO   2           HD1      PRO   2   8.910   9.025   1.907
   60    H    LYS   3           HN       LYS   3  10.585   7.484  -3.127
   61    HA   LYS   3           HA       LYS   3   9.462   9.575  -4.810
   62   1HB   LYS   3           HB2      LYS   3  12.021   8.446  -4.507
   63   2HB   LYS   3           HB1      LYS   3  11.482   7.980  -6.115
   64   1HG   LYS   3           HG2      LYS   3  11.701  10.051  -6.916
   65   2HG   LYS   3           HG1      LYS   3  10.973  10.783  -5.486
   66   1HD   LYS   3           HD2      LYS   3  12.967  11.226  -4.561
   67   2HD   LYS   3           HD1      LYS   3  13.620   9.646  -4.997
   68   1HE   LYS   3           HE2      LYS   3  13.497  10.804  -7.428
   69   2HE   LYS   3           HE1      LYS   3  13.771  12.224  -6.420
   70   1HZ   LYS   3           HZ1      LYS   3  15.531   9.957  -6.956
   71   2HZ   LYS   3           HZ2      LYS   3  15.601  10.636  -5.408
   72   3HZ   LYS   3           HZ3      LYS   3  15.906  11.596  -6.766
   73    H    GLY   4           HN       GLY   4  10.524   6.279  -5.646
   74   1HA   GLY   4           HA2      GLY   4   8.122   5.126  -6.298
   75   2HA   GLY   4           HA1      GLY   4   8.548   6.079  -7.711
   76    H    LYS   5           HN       LYS   5   8.289   3.504  -8.186
   77    HA   LYS   5           HA       LYS   5   9.323   1.684  -9.077
   78   1HB   LYS   5           HB2      LYS   5  11.978   3.064  -8.948
   79   2HB   LYS   5           HB1      LYS   5  11.344   1.993 -10.187
   80   1HG   LYS   5           HG2      LYS   5  10.564   4.858  -9.698
   81   2HG   LYS   5           HG1      LYS   5  11.475   4.214 -11.066
   82   1HD   LYS   5           HD2      LYS   5   9.422   2.772 -11.534
   83   2HD   LYS   5           HD1      LYS   5   8.570   3.821 -10.399
   84   1HE   LYS   5           HE2      LYS   5   9.796   4.512 -13.049
   85   2HE   LYS   5           HE1      LYS   5   8.141   4.764 -12.496
   86   1HZ   LYS   5           HZ1      LYS   5   9.249   6.850 -12.486
   87   2HZ   LYS   5           HZ2      LYS   5  10.564   6.233 -11.621
   88   3HZ   LYS   5           HZ3      LYS   5   9.057   6.385 -10.870
   89    H    SER   6           HN       SER   6   8.838   1.043  -6.698
   90    HA   SER   6           HA       SER   6   9.424  -0.165  -4.861
   91   1HB   SER   6           HB2      SER   6  10.590  -1.434  -6.838
   92   2HB   SER   6           HB1      SER   6  12.072  -0.813  -6.114
   93    HG   SER   6           HG       SER   6  11.725  -2.733  -5.130
   94    H    SER   7           HN       SER   7   9.875   2.507  -4.595
   95    HA   SER   7           HA       SER   7  12.424   3.352  -3.899
   96   1HB   SER   7           HB2      SER   7  10.653   4.637  -2.119
   97   2HB   SER   7           HB1      SER   7  11.240   5.239  -3.669
   98    HG   SER   7           HG       SER   7   9.440   4.469  -4.658
   99    H    ILE   8           HN       ILE   8  10.214   1.309  -2.159
  100    HA   ILE   8           HA       ILE   8  11.835   1.507   0.267
  101    HB   ILE   8           HB       ILE   8   9.169   1.418   0.083
  102   1HG1  ILE   8          HG12      ILE   8  10.520  -0.060   2.329
  103   2HG1  ILE   8          HG11      ILE   8  10.761   1.668   2.093
  104   1HG2  ILE   8          HG21      ILE   8   8.208  -0.692   0.381
  105   2HG2  ILE   8          HG22      ILE   8   9.762  -1.453   0.722
  106   3HG2  ILE   8          HG23      ILE   8   9.376  -0.932  -0.919
  107   1HD1  ILE   8          HD11      ILE   8   8.937   0.827   3.725
  108   2HD1  ILE   8          HD12      ILE   8   7.996   0.565   2.258
  109   3HD1  ILE   8          HD13      ILE   8   8.589   2.180   2.649
  110    H    SER   9           HN       SER   9  12.221  -0.601   1.431
  111    HA   SER   9           HA       SER   9  13.870  -2.269  -0.136
  112   1HB   SER   9           HB2      SER   9  12.989  -3.532   2.328
  113   2HB   SER   9           HB1      SER   9  14.588  -2.922   1.900
  114    HG   SER   9           HG       SER   9  13.035  -1.916   3.680
  115    HA   PRO  10           HA       PRO  10  11.425  -5.745  -1.499
  116   1HB   PRO  10           HB2      PRO  10  11.609  -7.732   0.467
  117   2HB   PRO  10           HB1      PRO  10  12.689  -7.544  -0.918
  118   1HG   PRO  10           HG2      PRO  10  13.043  -6.641   1.903
  119   2HG   PRO  10           HG1      PRO  10  14.243  -7.290   0.772
  120   1HD   PRO  10           HD2      PRO  10  14.147  -4.688   1.299
  121   2HD   PRO  10           HD1      PRO  10  14.462  -5.254  -0.352
  122    H    GLN  11           HN       GLN  11  11.033  -4.654   1.767
  123    HA   GLN  11           HA       GLN  11   8.697  -5.797   2.623
  124   1HB   GLN  11           HB2      GLN  11   9.701  -2.967   2.911
  125   2HB   GLN  11           HB1      GLN  11   8.274  -3.557   3.752
  126   1HG   GLN  11           HG2      GLN  11   9.637  -5.254   4.863
  127   2HG   GLN  11           HG1      GLN  11  11.065  -4.651   4.026
  128   1HE2  GLN  11          HE21      GLN  11  10.575  -1.923   4.204
  129   2HE2  GLN  11          HE22      GLN  11  10.701  -1.438   5.862
  130    H    ALA  12           HN       ALA  12   9.120  -3.530   0.004
  131    HA   ALA  12           HA       ALA  12   6.673  -2.340  -0.233
  132   1HB   ALA  12           HB1      ALA  12   7.609  -3.493  -2.766
  133   2HB   ALA  12           HB2      ALA  12   8.833  -2.593  -1.872
  134   3HB   ALA  12           HB3      ALA  12   7.318  -1.810  -2.323
  135    H    ARG  13           HN       ARG  13   7.543  -5.523  -1.554
  136    HA   ARG  13           HA       ARG  13   4.790  -6.200  -2.088
  137   1HB   ARG  13           HB2      ARG  13   5.640  -8.228  -3.024
  138   2HB   ARG  13           HB1      ARG  13   6.718  -6.933  -3.524
  139   1HG   ARG  13           HG2      ARG  13   8.020  -7.689  -1.341
  140   2HG   ARG  13           HG1      ARG  13   7.203  -9.212  -1.692
  141   1HD   ARG  13           HD2      ARG  13   8.207  -8.283  -4.144
  142   2HD   ARG  13           HD1      ARG  13   9.493  -8.027  -2.965
  143    HE   ARG  13           HE       ARG  13   9.743 -10.300  -2.778
  144   1HH1  ARG  13          HH11      ARG  13   6.785  -9.608  -4.497
  145   2HH1  ARG  13          HH12      ARG  13   6.521 -11.256  -4.957
  146   1HH2  ARG  13          HH21      ARG  13   9.395 -12.468  -3.380
  147   2HH2  ARG  13          HH22      ARG  13   8.001 -12.880  -4.321
  148    H    ALA  14           HN       ALA  14   7.242  -6.971   0.315
  149    HA   ALA  14           HA       ALA  14   5.874  -9.102   1.572
  150   1HB   ALA  14           HB1      ALA  14   7.623  -9.157   3.006
  151   2HB   ALA  14           HB2      ALA  14   7.649  -7.406   3.216
  152   3HB   ALA  14           HB3      ALA  14   8.358  -8.132   1.774
  153    H    PHE  15           HN       PHE  15   6.197  -5.689   2.519
  154    HA   PHE  15           HA       PHE  15   4.553  -5.732   4.736
  155   1HB   PHE  15           HB2      PHE  15   4.790  -3.460   4.766
  156   2HB   PHE  15           HB1      PHE  15   6.051  -3.827   3.605
  157    HD1  PHE  15           HD1      PHE  15   2.383  -3.087   3.646
  158    HD2  PHE  15           HD2      PHE  15   6.130  -2.555   1.698
  159    HE1  PHE  15           HE1      PHE  15   1.324  -1.568   2.026
  160    HE2  PHE  15           HE2      PHE  15   5.075  -1.041   0.074
  161    HZ   PHE  15           HZ       PHE  15   2.670  -0.546   0.237
  162    H    LEU  16           HN       LEU  16   3.699  -5.056   1.354
  163    HA   LEU  16           HA       LEU  16   0.910  -4.821   1.919
  164   1HB   LEU  16           HB2      LEU  16   1.712  -3.741  -0.041
  165   2HB   LEU  16           HB1      LEU  16   2.458  -5.214  -0.632
  166    HG   LEU  16           HG       LEU  16  -0.247  -5.859  -0.400
  167   1HD1  LEU  16          HD11      LEU  16  -0.115  -3.279  -1.900
  168   2HD1  LEU  16          HD12      LEU  16  -0.493  -3.305  -0.180
  169   3HD1  LEU  16          HD13      LEU  16  -1.525  -4.165  -1.324
  170   1HD2  LEU  16          HD21      LEU  16  -0.121  -5.635  -2.951
  171   2HD2  LEU  16          HD22      LEU  16   0.996  -6.747  -2.161
  172   3HD2  LEU  16          HD23      LEU  16   1.558  -5.160  -2.689
  173    H    GLU  17           HN       GLU  17   3.075  -7.424   1.018
  174    HA   GLU  17           HA       GLU  17   1.309  -9.379   0.196
  175   1HB   GLU  17           HB2      GLU  17   3.974  -9.337   1.409
  176   2HB   GLU  17           HB1      GLU  17   3.069 -10.801   1.771
  177   1HG   GLU  17           HG2      GLU  17   3.418  -9.746  -1.019
  178   2HG   GLU  17           HG1      GLU  17   4.547 -10.871  -0.266
  179    H    GLN  18           HN       GLN  18   2.347  -8.753   3.530
  180    HA   GLN  18           HA       GLN  18   0.453 -10.549   4.657
  181   1HB   GLN  18           HB2      GLN  18   1.040  -9.120   6.794
  182   2HB   GLN  18           HB1      GLN  18   2.196 -10.254   6.114
  183   1HG   GLN  18           HG2      GLN  18   3.662  -8.650   5.663
  184   2HG   GLN  18           HG1      GLN  18   2.435  -7.608   4.953
  185   1HE2  GLN  18          HE21      GLN  18   2.632  -5.698   5.889
  186   2HE2  GLN  18          HE22      GLN  18   2.731  -5.412   7.596
  187    H    VAL  19           HN       VAL  19   0.457  -7.112   3.902
  188    HA   VAL  19           HA       VAL  19  -1.818  -6.350   5.373
  189    HB   VAL  19           HB       VAL  19  -0.841  -5.268   2.720
  190   1HG1  VAL  19          HG11      VAL  19  -3.028  -4.411   4.551
  191   2HG1  VAL  19          HG12      VAL  19  -2.957  -4.387   2.789
  192   3HG1  VAL  19          HG13      VAL  19  -2.081  -3.176   3.723
  193   1HG2  VAL  19          HG21      VAL  19   0.398  -5.180   5.175
  194   2HG2  VAL  19          HG22      VAL  19  -0.451  -3.637   5.096
  195   3HG2  VAL  19          HG23      VAL  19   0.689  -4.082   3.827
  196    H    PHE  20           HN       PHE  20  -1.665  -6.991   1.866
  197    HA   PHE  20           HA       PHE  20  -4.436  -7.242   1.512
  198   1HB   PHE  20           HB2      PHE  20  -2.953  -6.823  -0.357
  199   2HB   PHE  20           HB1      PHE  20  -2.144  -8.365  -0.112
  200    HD1  PHE  20           HD1      PHE  20  -4.958  -6.665  -1.597
  201    HD2  PHE  20           HD2      PHE  20  -3.364 -10.477  -0.580
  202    HE1  PHE  20           HE1      PHE  20  -6.539  -7.737  -3.150
  203    HE2  PHE  20           HE2      PHE  20  -4.940 -11.556  -2.130
  204    HZ   PHE  20           HZ       PHE  20  -6.530 -10.185  -3.418
  205    H    ARG  21           HN       ARG  21  -2.149  -9.401   2.877
  206    HA   ARG  21           HA       ARG  21  -3.508 -11.843   2.301
  207   1HB   ARG  21           HB2      ARG  21  -1.048 -11.195   3.335
  208   2HB   ARG  21           HB1      ARG  21  -1.895 -11.778   4.751
  209   1HG   ARG  21           HG2      ARG  21  -1.040 -13.741   4.018
  210   2HG   ARG  21           HG1      ARG  21  -2.542 -13.741   3.092
  211   1HD   ARG  21           HD2      ARG  21  -1.383 -12.827   1.165
  212   2HD   ARG  21           HD1      ARG  21   0.117 -12.731   2.087
  213    HE   ARG  21           HE       ARG  21   0.445 -14.963   1.714
  214   1HH1  ARG  21          HH11      ARG  21  -2.889 -14.190   1.028
  215   2HH1  ARG  21          HH12      ARG  21  -3.243 -15.749   0.362
  216   1HH2  ARG  21          HH21      ARG  21  -0.020 -17.013   0.838
  217   2HH2  ARG  21          HH22      ARG  21  -1.615 -17.353   0.254
  218    H    ARG  22           HN       ARG  22  -3.469  -9.577   5.009
  219    HA   ARG  22           HA       ARG  22  -5.084 -11.049   6.773
  220   1HB   ARG  22           HB2      ARG  22  -4.563  -8.099   6.456
  221   2HB   ARG  22           HB1      ARG  22  -5.618  -8.725   7.712
  222   1HG   ARG  22           HG2      ARG  22  -2.693  -9.326   7.350
  223   2HG   ARG  22           HG1      ARG  22  -3.432  -8.351   8.622
  224   1HD   ARG  22           HD2      ARG  22  -4.772 -10.493   9.161
  225   2HD   ARG  22           HD1      ARG  22  -3.535 -11.317   8.213
  226    HE   ARG  22           HE       ARG  22  -2.045 -10.995   9.926
  227   1HH1  ARG  22          HH11      ARG  22  -4.847  -8.984  10.460
  228   2HH1  ARG  22          HH12      ARG  22  -4.370  -8.530  12.061
  229   1HH2  ARG  22          HH21      ARG  22  -1.418 -10.399  12.032
  230   2HH2  ARG  22          HH22      ARG  22  -2.424  -9.333  12.954
  231    H    LYS  23           HN       LYS  23  -5.868  -8.731   4.243
  232    HA   LYS  23           HA       LYS  23  -8.410  -9.877   3.753
  233   1HB   LYS  23           HB2      LYS  23  -9.876  -8.126   4.480
  234   2HB   LYS  23           HB1      LYS  23  -8.897  -8.615   5.856
  235   1HG   LYS  23           HG2      LYS  23  -7.426  -6.666   5.428
  236   2HG   LYS  23           HG1      LYS  23  -8.525  -6.172   4.147
  237   1HD   LYS  23           HD2      LYS  23  -8.695  -5.232   6.643
  238   2HD   LYS  23           HD1      LYS  23 -10.096  -5.420   5.596
  239   1HE   LYS  23           HE2      LYS  23 -10.563  -6.298   7.809
  240   2HE   LYS  23           HE1      LYS  23 -10.562  -7.597   6.617
  241   1HZ   LYS  23           HZ1      LYS  23  -8.737  -7.103   8.830
  242   2HZ   LYS  23           HZ2      LYS  23  -8.035  -7.682   7.404
  243   3HZ   LYS  23           HZ3      LYS  23  -9.260  -8.569   8.163
  244    H    GLN  24           HN       GLN  24  -9.621  -7.442   2.686
  245    HA   GLN  24           HA       GLN  24  -7.640  -6.681   0.654
  246   1HB   GLN  24           HB2      GLN  24 -10.471  -7.196  -0.167
  247   2HB   GLN  24           HB1      GLN  24  -9.015  -7.195  -1.149
  248   1HG   GLN  24           HG2      GLN  24  -8.846  -9.272   0.814
  249   2HG   GLN  24           HG1      GLN  24 -10.371  -9.393  -0.057
  250   1HE2  GLN  24          HE21      GLN  24  -8.076 -11.165  -0.117
  251   2HE2  GLN  24          HE22      GLN  24  -7.554 -11.230  -1.768
  252    H    SER  25           HN       SER  25 -10.920  -6.052   1.834
  253    HA   SER  25           HA       SER  25 -10.838  -3.339   0.854
  254   1HB   SER  25           HB2      SER  25 -12.910  -4.708   0.801
  255   2HB   SER  25           HB1      SER  25 -12.946  -4.668   2.563
  256    HG   SER  25           HG       SER  25 -13.265  -2.532   0.741
  257    H    LEU  26           HN       LEU  26  -8.988  -2.630   2.145
  258    HA   LEU  26           HA       LEU  26  -9.276  -2.404   4.999
  259   1HB   LEU  26           HB2      LEU  26  -7.373  -0.855   3.239
  260   2HB   LEU  26           HB1      LEU  26  -7.222  -1.154   4.957
  261    HG   LEU  26           HG       LEU  26  -6.479  -2.860   2.666
  262   1HD1  LEU  26          HD11      LEU  26  -4.525  -2.854   3.726
  263   2HD1  LEU  26          HD12      LEU  26  -5.260  -3.417   5.227
  264   3HD1  LEU  26          HD13      LEU  26  -5.223  -1.694   4.857
  265   1HD2  LEU  26          HD21      LEU  26  -7.953  -3.911   5.034
  266   2HD2  LEU  26          HD22      LEU  26  -6.627  -4.853   4.352
  267   3HD2  LEU  26          HD23      LEU  26  -8.012  -4.425   3.348
  268    H    ASN  27           HN       ASN  27 -10.111  -0.711   6.148
  269    HA   ASN  27           HA       ASN  27 -11.330   1.438   4.570
  270   1HB   ASN  27           HB2      ASN  27 -12.044   1.622   7.337
  271   2HB   ASN  27           HB1      ASN  27 -13.074   1.262   5.959
  272   1HD2  ASN  27          HD21      ASN  27 -11.420   0.023   8.689
  273   2HD2  ASN  27          HD22      ASN  27 -11.972  -1.615   8.560
  274    H    SER  28           HN       SER  28 -11.504   3.564   6.041
  275    HA   SER  28           HA       SER  28  -9.027   4.782   6.013
  276   1HB   SER  28           HB2      SER  28 -11.619   5.412   7.374
  277   2HB   SER  28           HB1      SER  28 -10.189   6.369   7.778
  278    HG   SER  28           HG       SER  28 -11.650   6.250   5.419
  279    H    LYS  29           HN       LYS  29 -10.474   2.785   8.427
  280    HA   LYS  29           HA       LYS  29  -8.702   3.498  10.561
  281   1HB   LYS  29           HB2      LYS  29 -10.503   1.101  10.222
  282   2HB   LYS  29           HB1      LYS  29  -9.758   1.624  11.721
  283   1HG   LYS  29           HG2      LYS  29 -11.826   2.518  11.997
  284   2HG   LYS  29           HG1      LYS  29 -11.045   3.863  11.167
  285   1HD   LYS  29           HD2      LYS  29 -12.089   2.013   9.242
  286   2HD   LYS  29           HD1      LYS  29 -13.354   2.448  10.391
  287   1HE   LYS  29           HE2      LYS  29 -11.624   4.561   9.167
  288   2HE   LYS  29           HE1      LYS  29 -12.997   3.902   8.272
  289   1HZ   LYS  29           HZ1      LYS  29 -13.318   5.978   9.750
  290   2HZ   LYS  29           HZ2      LYS  29 -13.368   4.872  11.028
  291   3HZ   LYS  29           HZ3      LYS  29 -14.495   4.764   9.773
  292    H    GLU  30           HN       GLU  30  -9.076   0.660   8.460
  293    HA   GLU  30           HA       GLU  30  -6.743  -0.638   9.425
  294   1HB   GLU  30           HB2      GLU  30  -8.231  -1.073   6.829
  295   2HB   GLU  30           HB1      GLU  30  -7.059  -2.170   7.545
  296   1HG   GLU  30           HG2      GLU  30  -8.930  -1.770   9.548
  297   2HG   GLU  30           HG1      GLU  30  -9.885  -1.871   8.069
  298    H    LYS  31           HN       LYS  31  -7.493   1.440   6.694
  299    HA   LYS  31           HA       LYS  31  -5.074   1.191   5.318
  300   1HB   LYS  31           HB2      LYS  31  -5.866   2.874   3.995
  301   2HB   LYS  31           HB1      LYS  31  -7.357   2.435   4.796
  302   1HG   LYS  31           HG2      LYS  31  -7.136   4.272   6.334
  303   2HG   LYS  31           HG1      LYS  31  -5.549   4.670   5.664
  304   1HD   LYS  31           HD2      LYS  31  -6.527   5.242   3.547
  305   2HD   LYS  31           HD1      LYS  31  -8.116   4.697   4.088
  306   1HE   LYS  31           HE2      LYS  31  -8.498   6.577   5.288
  307   2HE   LYS  31           HE1      LYS  31  -6.808   6.746   5.760
  308   1HZ   LYS  31           HZ1      LYS  31  -7.880   8.426   4.118
  309   2HZ   LYS  31           HZ2      LYS  31  -7.572   7.228   2.963
  310   3HZ   LYS  31           HZ3      LYS  31  -6.297   7.891   3.856
  311    H    GLU  32           HN       GLU  32  -6.004   3.136   8.082
  312    HA   GLU  32           HA       GLU  32  -3.432   4.496   8.131
  313   1HB   GLU  32           HB2      GLU  32  -4.337   5.866   9.840
  314   2HB   GLU  32           HB1      GLU  32  -5.639   5.623   8.685
  315   1HG   GLU  32           HG2      GLU  32  -6.717   4.053  10.111
  316   2HG   GLU  32           HG1      GLU  32  -5.338   4.015  11.208
  317    H    GLU  33           HN       GLU  33  -5.223   2.057   9.913
  318    HA   GLU  33           HA       GLU  33  -3.322   1.750  12.016
  319   1HB   GLU  33           HB2      GLU  33  -5.590   0.029  11.017
  320   2HB   GLU  33           HB1      GLU  33  -4.625  -0.381  12.422
  321   1HG   GLU  33           HG2      GLU  33  -5.780   2.323  12.409
  322   2HG   GLU  33           HG1      GLU  33  -6.928   0.991  12.526
  323    H    VAL  34           HN       VAL  34  -3.883   0.258   8.911
  324    HA   VAL  34           HA       VAL  34  -1.933  -1.833   9.267
  325    HB   VAL  34           HB       VAL  34  -3.427  -0.890   6.809
  326   1HG1  VAL  34          HG11      VAL  34  -2.523  -2.576   5.551
  327   2HG1  VAL  34          HG12      VAL  34  -2.110  -3.557   6.956
  328   3HG1  VAL  34          HG13      VAL  34  -1.134  -2.148   6.545
  329   1HG2  VAL  34          HG21      VAL  34  -4.960  -2.578   7.191
  330   2HG2  VAL  34          HG22      VAL  34  -4.617  -2.008   8.824
  331   3HG2  VAL  34          HG23      VAL  34  -3.860  -3.485   8.229
  332    H    ALA  35           HN       ALA  35  -2.120   1.296   7.653
  333    HA   ALA  35           HA       ALA  35   0.332   1.161   6.287
  334   1HB   ALA  35           HB1      ALA  35   0.065   3.800   6.666
  335   2HB   ALA  35           HB2      ALA  35  -1.581   3.268   6.987
  336   3HB   ALA  35           HB3      ALA  35  -0.815   2.886   5.447
  337    H    LYS  36           HN       LYS  36  -0.430   1.972   9.593
  338    HA   LYS  36           HA       LYS  36   2.201   3.073  10.098
  339   1HB   LYS  36           HB2      LYS  36   1.407   3.484  12.341
  340   2HB   LYS  36           HB1      LYS  36   0.198   4.014  11.180
  341   1HG   LYS  36           HG2      LYS  36  -1.121   2.032  11.588
  342   2HG   LYS  36           HG1      LYS  36   0.119   1.402  12.674
  343   1HD   LYS  36           HD2      LYS  36  -1.696   2.379  13.955
  344   2HD   LYS  36           HD1      LYS  36  -0.225   3.330  14.162
  345   1HE   LYS  36           HE2      LYS  36  -1.305   5.146  13.482
  346   2HE   LYS  36           HE1      LYS  36  -1.623   4.377  11.928
  347   1HZ   LYS  36           HZ1      LYS  36  -3.364   4.664  14.253
  348   2HZ   LYS  36           HZ2      LYS  36  -3.505   3.233  13.364
  349   3HZ   LYS  36           HZ3      LYS  36  -3.741   4.725  12.604
  350    H    LYS  37           HN       LYS  37   0.659  -0.013  10.356
  351    HA   LYS  37           HA       LYS  37   2.800  -0.975  12.118
  352   1HB   LYS  37           HB2      LYS  37   1.439  -2.901  12.559
  353   2HB   LYS  37           HB1      LYS  37   0.437  -1.469  12.741
  354   1HG   LYS  37           HG2      LYS  37  -0.541  -1.849  10.555
  355   2HG   LYS  37           HG1      LYS  37   0.499  -3.252  10.316
  356   1HD   LYS  37           HD2      LYS  37  -1.119  -3.241  12.784
  357   2HD   LYS  37           HD1      LYS  37  -2.014  -3.403  11.271
  358   1HE   LYS  37           HE2      LYS  37  -0.152  -5.186  10.748
  359   2HE   LYS  37           HE1      LYS  37  -0.010  -5.231  12.505
  360   1HZ   LYS  37           HZ1      LYS  37  -2.676  -5.441  11.294
  361   2HZ   LYS  37           HZ2      LYS  37  -2.100  -6.093  12.744
  362   3HZ   LYS  37           HZ3      LYS  37  -1.663  -6.797  11.270
  363    H    CYS  38           HN       CYS  38   1.484  -1.308   8.905
  364    HA   CYS  38           HA       CYS  38   3.256  -3.530   8.293
  365   1HB   CYS  38           HB2      CYS  38   1.248  -2.064   6.572
  366   2HB   CYS  38           HB1      CYS  38   2.169  -3.478   6.068
  367    HG   CYS  38           HG       CYS  38   0.656  -4.952   7.350
  368    H    GLY  39           HN       GLY  39   3.023  -0.081   7.772
  369   1HA   GLY  39           HA2      GLY  39   5.171   1.057   7.463
  370   2HA   GLY  39           HA1      GLY  39   5.615  -0.227   6.351
  371    H    ILE  40           HN       ILE  40   2.391   1.020   6.202
  372    HA   ILE  40           HA       ILE  40   3.098   2.376   3.690
  373    HB   ILE  40           HB       ILE  40   0.246   2.017   4.073
  374   1HG1  ILE  40          HG12      ILE  40   1.876  -0.524   3.906
  375   2HG1  ILE  40          HG11      ILE  40   1.014   0.004   5.344
  376   1HG2  ILE  40          HG21      ILE  40   1.929   2.322   1.986
  377   2HG2  ILE  40          HG22      ILE  40   0.286   1.697   1.843
  378   3HG2  ILE  40          HG23      ILE  40   1.650   0.582   1.920
  379   1HD1  ILE  40          HD11      ILE  40  -0.192  -1.698   4.015
  380   2HD1  ILE  40          HD12      ILE  40  -0.294  -0.535   2.692
  381   3HD1  ILE  40          HD13      ILE  40  -1.092  -0.195   4.229
  382    H    THR  41           HN       THR  41   0.681   3.877   3.462
  383    HA   THR  41           HA       THR  41   0.499   5.520   5.844
  384    HB   THR  41           HB       THR  41   1.011   7.242   3.551
  385    HG1  THR  41           HG1      THR  41   3.175   5.677   4.497
  386   1HG2  THR  41          HG21      THR  41   1.492   8.586   5.232
  387   2HG2  THR  41          HG22      THR  41   2.944   7.633   5.537
  388   3HG2  THR  41          HG23      THR  41   1.442   7.243   6.374
  389    HA   PRO  42           HA       PRO  42  -3.696   6.229   4.740
  390   1HB   PRO  42           HB2      PRO  42  -3.076   9.146   4.926
  391   2HB   PRO  42           HB1      PRO  42  -4.387   8.226   5.673
  392   1HG   PRO  42           HG2      PRO  42  -2.284   8.979   7.113
  393   2HG   PRO  42           HG1      PRO  42  -3.016   7.380   7.347
  394   1HD   PRO  42           HD2      PRO  42  -0.479   8.122   5.972
  395   2HD   PRO  42           HD1      PRO  42  -0.869   6.670   6.915
  396    H    LEU  43           HN       LEU  43  -1.171   7.983   3.080
  397    HA   LEU  43           HA       LEU  43  -2.893   8.669   0.844
  398   1HB   LEU  43           HB2      LEU  43  -0.683   9.863   1.911
  399   2HB   LEU  43           HB1      LEU  43   0.016   9.007   0.549
  400    HG   LEU  43           HG       LEU  43  -1.562  10.144  -0.966
  401   1HD1  LEU  43          HD11      LEU  43  -2.738  12.175   0.029
  402   2HD1  LEU  43          HD12      LEU  43  -2.492  11.403   1.595
  403   3HD1  LEU  43          HD13      LEU  43  -3.445  10.593   0.352
  404   1HD2  LEU  43          HD21      LEU  43  -0.565  12.391  -0.789
  405   2HD2  LEU  43          HD22      LEU  43   0.631  11.105  -0.635
  406   3HD2  LEU  43          HD23      LEU  43   0.069  11.964   0.799
  407    H    GLN  44           HN       GLN  44  -0.526   6.278   1.742
  408    HA   GLN  44           HA       GLN  44  -0.211   5.282  -0.948
  409   1HB   GLN  44           HB2      GLN  44   0.613   3.755   1.488
  410   2HB   GLN  44           HB1      GLN  44   1.377   3.812  -0.094
  411   1HG   GLN  44           HG2      GLN  44   1.391   5.979   1.989
  412   2HG   GLN  44           HG1      GLN  44   2.744   4.952   1.525
  413   1HE2  GLN  44          HE21      GLN  44   1.573   7.946   1.230
  414   2HE2  GLN  44          HE22      GLN  44   2.230   8.397  -0.309
  415    H    VAL  45           HN       VAL  45  -1.473   3.930   2.081
  416    HA   VAL  45           HA       VAL  45  -2.553   1.592   1.382
  417    HB   VAL  45           HB       VAL  45  -4.440   2.046   2.931
  418   1HG1  VAL  45          HG11      VAL  45  -2.300   3.194   4.480
  419   2HG1  VAL  45          HG12      VAL  45  -1.700   1.912   3.428
  420   3HG1  VAL  45          HG13      VAL  45  -3.005   1.581   4.568
  421   1HG2  VAL  45          HG21      VAL  45  -3.376   4.832   2.652
  422   2HG2  VAL  45          HG22      VAL  45  -4.164   4.325   4.146
  423   3HG2  VAL  45          HG23      VAL  45  -5.046   4.267   2.620
  424    H    ARG  46           HN       ARG  46  -3.841   4.714   0.382
  425    HA   ARG  46           HA       ARG  46  -6.185   3.542  -0.804
  426   1HB   ARG  46           HB2      ARG  46  -6.375   5.929  -1.788
  427   2HB   ARG  46           HB1      ARG  46  -6.637   5.690  -0.071
  428   1HG   ARG  46           HG2      ARG  46  -4.994   7.081   0.437
  429   2HG   ARG  46           HG1      ARG  46  -3.866   6.227  -0.612
  430   1HD   ARG  46           HD2      ARG  46  -4.178   8.613  -1.218
  431   2HD   ARG  46           HD1      ARG  46  -4.583   7.492  -2.518
  432    HE   ARG  46           HE       ARG  46  -6.966   7.905  -1.335
  433   1HH1  ARG  46          HH11      ARG  46  -4.504  10.095  -2.489
  434   2HH1  ARG  46          HH12      ARG  46  -5.629  11.352  -2.878
  435   1HH2  ARG  46          HH21      ARG  46  -8.446   9.560  -1.847
  436   2HH2  ARG  46          HH22      ARG  46  -7.865  11.049  -2.514
  437    H    VAL  47           HN       VAL  47  -3.390   5.341  -2.148
  438    HA   VAL  47           HA       VAL  47  -3.978   4.604  -4.836
  439    HB   VAL  47           HB       VAL  47  -1.828   5.563  -5.403
  440   1HG1  VAL  47          HG11      VAL  47  -2.395   7.714  -4.932
  441   2HG1  VAL  47          HG12      VAL  47  -2.685   7.380  -3.225
  442   3HG1  VAL  47          HG13      VAL  47  -3.892   6.927  -4.430
  443   1HG2  VAL  47          HG21      VAL  47  -0.375   4.680  -3.754
  444   2HG2  VAL  47          HG22      VAL  47  -1.316   5.388  -2.443
  445   3HG2  VAL  47          HG23      VAL  47  -0.373   6.428  -3.508
  446    H    TRP  48           HN       TRP  48  -1.661   3.445  -2.447
  447    HA   TRP  48           HA       TRP  48  -0.316   1.604  -4.051
  448   1HB   TRP  48           HB2      TRP  48  -0.236   2.471  -1.386
  449   2HB   TRP  48           HB1      TRP  48  -0.483   0.734  -1.296
  450    HD1  TRP  48           HD1      TRP  48   2.013   3.349  -2.577
  451    HE1  TRP  48           HE1      TRP  48   4.304   2.222  -2.893
  452    HE3  TRP  48           HE3      TRP  48   0.662  -1.501  -1.692
  453    HZ2  TRP  48           HZ2      TRP  48   5.395  -0.378  -2.783
  454    HZ3  TRP  48           HZ3      TRP  48   2.391  -3.246  -1.821
  455    HH2  TRP  48           HH2      TRP  48   4.707  -2.696  -2.354
  456    H    PHE  49           HN       PHE  49  -2.982   0.998  -1.714
  457    HA   PHE  49           HA       PHE  49  -3.304  -1.709  -2.401
  458   1HB   PHE  49           HB2      PHE  49  -5.332   0.241  -1.292
  459   2HB   PHE  49           HB1      PHE  49  -5.572  -1.495  -1.395
  460    HD1  PHE  49           HD1      PHE  49  -2.342  -1.631  -0.669
  461    HD2  PHE  49           HD2      PHE  49  -5.913  -0.174   1.133
  462    HE1  PHE  49           HE1      PHE  49  -1.330  -1.902   1.558
  463    HE2  PHE  49           HE2      PHE  49  -4.907  -0.440   3.357
  464    HZ   PHE  49           HZ       PHE  49  -2.614  -1.305   3.574
  465    H    ILE  50           HN       ILE  50  -4.385   1.227  -3.939
  466    HA   ILE  50           HA       ILE  50  -6.517   0.204  -5.440
  467    HB   ILE  50           HB       ILE  50  -4.723   2.554  -5.701
  468   1HG1  ILE  50          HG12      ILE  50  -6.856   2.550  -4.409
  469   2HG1  ILE  50          HG11      ILE  50  -6.815   3.760  -5.688
  470   1HG2  ILE  50          HG21      ILE  50  -6.310   1.442  -7.996
  471   2HG2  ILE  50          HG22      ILE  50  -4.618   1.936  -7.970
  472   3HG2  ILE  50          HG23      ILE  50  -5.893   3.151  -7.874
  473   1HD1  ILE  50          HD11      ILE  50  -8.813   1.922  -5.222
  474   2HD1  ILE  50          HD12      ILE  50  -7.938   1.252  -6.599
  475   3HD1  ILE  50          HD13      ILE  50  -8.595   2.886  -6.682
  476    H    ASN  51           HN       ASN  51  -3.076   0.519  -6.323
  477    HA   ASN  51           HA       ASN  51  -3.455  -0.979  -8.757
  478   1HB   ASN  51           HB2      ASN  51  -1.115   0.308  -7.398
  479   2HB   ASN  51           HB1      ASN  51  -0.838  -0.856  -8.690
  480   1HD2  ASN  51          HD21      ASN  51  -1.542   2.341  -7.923
  481   2HD2  ASN  51          HD22      ASN  51  -1.900   2.910  -9.521
  482    H    LYS  52           HN       LYS  52  -2.077  -1.575  -5.559
  483    HA   LYS  52           HA       LYS  52  -1.125  -4.196  -6.207
  484   1HB   LYS  52           HB2      LYS  52  -1.188  -2.454  -3.843
  485   2HB   LYS  52           HB1      LYS  52  -1.314  -4.166  -3.472
  486   1HG   LYS  52           HG2      LYS  52   1.003  -3.234  -3.458
  487   2HG   LYS  52           HG1      LYS  52   0.767  -4.633  -4.502
  488   1HD   LYS  52           HD2      LYS  52   0.487  -3.046  -6.419
  489   2HD   LYS  52           HD1      LYS  52   0.954  -1.740  -5.328
  490   1HE   LYS  52           HE2      LYS  52   2.998  -2.222  -6.210
  491   2HE   LYS  52           HE1      LYS  52   2.999  -3.360  -4.862
  492   1HZ   LYS  52           HZ1      LYS  52   2.221  -5.083  -6.389
  493   2HZ   LYS  52           HZ2      LYS  52   3.703  -4.440  -6.888
  494   3HZ   LYS  52           HZ3      LYS  52   2.278  -3.985  -7.676
  495    H    ARG  53           HN       ARG  53  -4.160  -2.887  -5.232
  496    HA   ARG  53           HA       ARG  53  -5.242  -5.608  -5.048
  497   1HB   ARG  53           HB2      ARG  53  -4.992  -4.640  -2.760
  498   2HB   ARG  53           HB1      ARG  53  -6.064  -3.334  -3.240
  499   1HG   ARG  53           HG2      ARG  53  -7.404  -5.700  -3.904
  500   2HG   ARG  53           HG1      ARG  53  -6.729  -5.950  -2.294
  501   1HD   ARG  53           HD2      ARG  53  -8.665  -3.861  -3.230
  502   2HD   ARG  53           HD1      ARG  53  -8.828  -5.002  -1.897
  503    HE   ARG  53           HE       ARG  53  -6.738  -3.489  -1.124
  504   1HH1  ARG  53          HH11      ARG  53  -9.933  -2.681  -2.274
  505   2HH1  ARG  53          HH12      ARG  53 -10.026  -1.213  -1.360
  506   1HH2  ARG  53          HH21      ARG  53  -6.863  -1.562   0.083
  507   2HH2  ARG  53          HH22      ARG  53  -8.284  -0.577  -0.023
  508    H    MET  54           HN       MET  54  -5.231  -3.629  -7.234
  509    HA   MET  54           HA       MET  54  -7.542  -2.188  -7.541
  510   1HB   MET  54           HB2      MET  54  -5.468  -2.863  -9.181
  511   2HB   MET  54           HB1      MET  54  -6.796  -3.734  -9.935
  512   1HG   MET  54           HG2      MET  54  -8.048  -1.476  -9.762
  513   2HG   MET  54           HG1      MET  54  -6.435  -0.795  -9.564
  514   1HE   MET  54           HE1      MET  54  -8.591  -3.143 -11.398
  515   2HE   MET  54           HE2      MET  54  -7.379  -3.844 -12.471
  516   3HE   MET  54           HE3      MET  54  -8.494  -2.621 -13.080
  517    H    ARG  55           HN       ARG  55  -9.315  -3.134  -6.576
  518    HA   ARG  55           HA       ARG  55 -10.207  -5.764  -7.229
  519   1HB   ARG  55           HB2      ARG  55 -11.447  -3.452  -5.753
  520   2HB   ARG  55           HB1      ARG  55 -12.338  -4.936  -6.058
  521   1HG   ARG  55           HG2      ARG  55  -9.667  -5.265  -4.859
  522   2HG   ARG  55           HG1      ARG  55 -10.886  -4.487  -3.846
  523   1HD   ARG  55           HD2      ARG  55 -11.379  -6.627  -3.312
  524   2HD   ARG  55           HD1      ARG  55 -12.338  -6.532  -4.787
  525    HE   ARG  55           HE       ARG  55  -9.859  -7.994  -4.397
  526   1HH1  ARG  55          HH11      ARG  55 -12.247  -6.815  -6.661
  527   2HH1  ARG  55          HH12      ARG  55 -11.801  -7.936  -7.901
  528   1HH2  ARG  55          HH21      ARG  55  -9.277  -9.464  -6.031
  529   2HH2  ARG  55          HH22      ARG  55 -10.118  -9.438  -7.546
  530    H    SER  56           HN       SER  56 -11.123  -2.500  -8.225
  531    HA   SER  56           HA       SER  56 -12.663  -1.746  -9.748
  532   1HB   SER  56           HB2      SER  56 -10.537  -2.420 -10.957
  533   2HB   SER  56           HB1      SER  56 -11.401  -3.868 -11.474
  534    HG   SER  56           HG       SER  56 -11.982  -2.584 -13.056
  535    H    LYS  57           HN       LYS  57 -14.182  -3.204  -8.200
  536    HA   LYS  57           HA       LYS  57 -16.126  -4.376  -8.068
  537   1HB   LYS  57           HB2      LYS  57 -16.100  -3.913 -11.053
  538   2HB   LYS  57           HB1      LYS  57 -17.468  -4.580 -10.171
  539   1HG   LYS  57           HG2      LYS  57 -18.190  -2.516  -9.843
  540   2HG   LYS  57           HG1      LYS  57 -16.780  -2.228  -8.823
  541   1HD   LYS  57           HD2      LYS  57 -15.629  -1.858 -11.192
  542   2HD   LYS  57           HD1      LYS  57 -17.285  -1.445 -11.643
  543   1HE   LYS  57           HE2      LYS  57 -15.982   0.523 -10.943
  544   2HE   LYS  57           HE1      LYS  57 -17.377   0.234  -9.905
  545   1HZ   LYS  57           HZ1      LYS  57 -14.974   0.712  -8.947
  546   2HZ   LYS  57           HZ2      LYS  57 -14.849  -0.969  -9.092
  547   3HZ   LYS  57           HZ3      LYS  57 -16.078  -0.291  -8.147
  Start of MODEL   14
    1   1H    LYS  -3           HT1      LYS  -3  -9.452  12.519  -8.397
    2   2H    LYS  -3           HT2      LYS  -3  -9.857  13.920  -9.302
    3   3H    LYS  -3           HT3      LYS  -3  -9.235  14.075  -7.710
    4    HA   LYS  -3           HA       LYS  -3  -7.470  14.574  -9.044
    5   1HB   LYS  -3           HB2      LYS  -3  -7.445  11.674  -8.211
    6   2HB   LYS  -3           HB1      LYS  -3  -6.012  12.497  -8.812
    7   1HG   LYS  -3           HG2      LYS  -3  -6.434  14.205  -6.962
    8   2HG   LYS  -3           HG1      LYS  -3  -7.543  13.009  -6.288
    9   1HD   LYS  -3           HD2      LYS  -3  -4.618  12.565  -6.882
   10   2HD   LYS  -3           HD1      LYS  -3  -5.316  12.837  -5.284
   11   1HE   LYS  -3           HE2      LYS  -3  -6.738  10.799  -5.678
   12   2HE   LYS  -3           HE1      LYS  -3  -5.771  10.493  -7.120
   13   1HZ   LYS  -3           HZ1      LYS  -3  -4.388  10.901  -4.567
   14   2HZ   LYS  -3           HZ2      LYS  -3  -3.944   9.947  -5.891
   15   3HZ   LYS  -3           HZ3      LYS  -3  -5.155   9.417  -4.837
   16    H    LYS  -2           HN       LYS  -2  -6.186  14.271 -10.917
   17    HA   LYS  -2           HA       LYS  -2  -7.243  12.436 -12.941
   18   1HB   LYS  -2           HB2      LYS  -2  -7.047  15.417 -13.146
   19   2HB   LYS  -2           HB1      LYS  -2  -6.831  14.433 -14.588
   20   1HG   LYS  -2           HG2      LYS  -2  -9.012  13.781 -14.643
   21   2HG   LYS  -2           HG1      LYS  -2  -9.211  13.913 -12.894
   22   1HD   LYS  -2           HD2      LYS  -2 -10.345  15.791 -13.404
   23   2HD   LYS  -2           HD1      LYS  -2  -8.736  16.499 -13.558
   24   1HE   LYS  -2           HE2      LYS  -2  -9.796  17.125 -15.533
   25   2HE   LYS  -2           HE1      LYS  -2  -8.852  15.712 -16.003
   26   1HZ   LYS  -2           HZ1      LYS  -2 -10.835  15.144 -16.901
   27   2HZ   LYS  -2           HZ2      LYS  -2 -11.745  16.024 -15.780
   28   3HZ   LYS  -2           HZ3      LYS  -2 -11.102  14.520 -15.351
   29    H    GLU  -1           HN       GLU  -1  -5.737  11.616 -14.335
   30    HA   GLU  -1           HA       GLU  -1  -3.692  10.974 -15.087
   31   1HB   GLU  -1           HB2      GLU  -1  -2.746  13.767 -14.471
   32   2HB   GLU  -1           HB1      GLU  -1  -2.148  12.670 -15.708
   33   1HG   GLU  -1           HG2      GLU  -1  -4.526  12.839 -16.687
   34   2HG   GLU  -1           HG1      GLU  -1  -4.671  14.271 -15.669
   35    H    LYS   0           HN       LYS   0  -2.703   9.545 -13.822
   36    HA   LYS   0           HA       LYS   0  -2.072   9.860 -11.130
   37   1HB   LYS   0           HB2      LYS   0  -0.483   7.913 -11.541
   38   2HB   LYS   0           HB1      LYS   0  -2.172   7.655 -11.961
   39   1HG   LYS   0           HG2      LYS   0  -0.929   8.673 -14.268
   40   2HG   LYS   0           HG1      LYS   0   0.157   7.449 -13.607
   41   1HD   LYS   0           HD2      LYS   0  -2.787   7.029 -14.116
   42   2HD   LYS   0           HD1      LYS   0  -1.503   6.548 -15.226
   43   1HE   LYS   0           HE2      LYS   0  -0.548   5.291 -13.164
   44   2HE   LYS   0           HE1      LYS   0  -2.183   5.454 -12.524
   45   1HZ   LYS   0           HZ1      LYS   0  -2.865   4.472 -14.789
   46   2HZ   LYS   0           HZ2      LYS   0  -2.248   3.435 -13.605
   47   3HZ   LYS   0           HZ3      LYS   0  -1.260   3.944 -14.879
   48    H    SER   1           HN       SER   1  -0.503  10.885 -10.077
   49    HA   SER   1           HA       SER   1   1.330  12.571 -11.363
   50   1HB   SER   1           HB2      SER   1   2.434  12.243  -8.883
   51   2HB   SER   1           HB1      SER   1   1.107  13.346  -9.246
   52    HG   SER   1           HG       SER   1   0.225  12.184  -7.691
   53    HA   PRO   2           HA       PRO   2   4.884  10.140 -12.269
   54   1HB   PRO   2           HB2      PRO   2   6.958  11.578 -11.236
   55   2HB   PRO   2           HB1      PRO   2   6.094  12.036 -12.708
   56   1HG   PRO   2           HG2      PRO   2   5.760  13.064  -9.916
   57   2HG   PRO   2           HG1      PRO   2   5.788  13.964 -11.444
   58   1HD   PRO   2           HD2      PRO   2   3.486  13.369 -10.173
   59   2HD   PRO   2           HD1      PRO   2   3.596  13.431 -11.943
   60    H    LYS   3           HN       LYS   3   6.257   8.573 -11.448
   61    HA   LYS   3           HA       LYS   3   6.378   8.342  -8.516
   62   1HB   LYS   3           HB2      LYS   3   5.241   6.504 -10.471
   63   2HB   LYS   3           HB1      LYS   3   6.458   5.733  -9.464
   64   1HG   LYS   3           HG2      LYS   3   5.016   7.070  -7.598
   65   2HG   LYS   3           HG1      LYS   3   3.770   6.684  -8.787
   66   1HD   LYS   3           HD2      LYS   3   5.187   4.333  -8.592
   67   2HD   LYS   3           HD1      LYS   3   5.199   4.940  -6.935
   68   1HE   LYS   3           HE2      LYS   3   2.990   4.605  -6.664
   69   2HE   LYS   3           HE1      LYS   3   2.607   5.130  -8.303
   70   1HZ   LYS   3           HZ1      LYS   3   2.930   3.031  -9.145
   71   2HZ   LYS   3           HZ2      LYS   3   2.268   2.671  -7.632
   72   3HZ   LYS   3           HZ3      LYS   3   3.936   2.540  -7.877
   73    H    GLY   4           HN       GLY   4   8.208   7.238  -7.664
   74   1HA   GLY   4           HA2      GLY   4  10.532   7.396  -9.459
   75   2HA   GLY   4           HA1      GLY   4  10.590   7.488  -7.706
   76    H    LYS   5           HN       LYS   5  11.973   5.732  -9.710
   77    HA   LYS   5           HA       LYS   5  11.011   3.113  -9.594
   78   1HB   LYS   5           HB2      LYS   5  13.364   2.442 -10.055
   79   2HB   LYS   5           HB1      LYS   5  12.769   3.700 -11.131
   80   1HG   LYS   5           HG2      LYS   5  14.146   4.662  -8.721
   81   2HG   LYS   5           HG1      LYS   5  15.151   3.773  -9.867
   82   1HD   LYS   5           HD2      LYS   5  13.730   5.417 -11.521
   83   2HD   LYS   5           HD1      LYS   5  13.932   6.430 -10.090
   84   1HE   LYS   5           HE2      LYS   5  16.339   4.977 -10.958
   85   2HE   LYS   5           HE1      LYS   5  15.758   6.209 -12.078
   86   1HZ   LYS   5           HZ1      LYS   5  16.758   6.523  -9.332
   87   2HZ   LYS   5           HZ2      LYS   5  15.655   7.650  -9.941
   88   3HZ   LYS   5           HZ3      LYS   5  17.137   7.413 -10.720
   89    H    SER   6           HN       SER   6  12.007   1.285  -8.398
   90    HA   SER   6           HA       SER   6  12.603   0.198  -6.488
   91   1HB   SER   6           HB2      SER   6  13.555   2.740  -5.215
   92   2HB   SER   6           HB1      SER   6  14.210   1.110  -5.075
   93    HG   SER   6           HG       SER   6  15.474   2.556  -6.398
   94    H    SER   7           HN       SER   7  11.608   3.457  -5.415
   95    HA   SER   7           HA       SER   7   9.853   4.156  -4.139
   96   1HB   SER   7           HB2      SER   7   8.715   2.168  -5.557
   97   2HB   SER   7           HB1      SER   7   8.573   1.485  -3.937
   98    HG   SER   7           HG       SER   7   7.665   3.641  -3.384
   99    H    ILE   8           HN       ILE   8  10.370   0.758  -3.161
  100    HA   ILE   8           HA       ILE   8  11.542   1.610  -0.660
  101    HB   ILE   8           HB       ILE   8   8.907   1.547  -0.499
  102   1HG1  ILE   8          HG12      ILE   8  10.413   0.126   1.679
  103   2HG1  ILE   8          HG11      ILE   8  10.733   1.819   1.316
  104   1HG2  ILE   8          HG21      ILE   8   9.537  -1.328   0.132
  105   2HG2  ILE   8          HG22      ILE   8   8.821  -0.802  -1.392
  106   3HG2  ILE   8          HG23      ILE   8   7.960  -0.539   0.124
  107   1HD1  ILE   8          HD11      ILE   8   9.101   1.354   3.176
  108   2HD1  ILE   8          HD12      ILE   8   7.985   0.786   1.935
  109   3HD1  ILE   8          HD13      ILE   8   8.548   2.458   1.917
  110    H    SER   9           HN       SER   9  12.065  -0.343   0.731
  111    HA   SER   9           HA       SER   9  13.644  -2.154  -0.685
  112   1HB   SER   9           HB2      SER   9  12.777  -3.267   1.844
  113   2HB   SER   9           HB1      SER   9  14.361  -2.632   1.395
  114    HG   SER   9           HG       SER   9  12.943  -1.573   3.147
  115    HA   PRO  10           HA       PRO  10  11.231  -5.718  -1.839
  116   1HB   PRO  10           HB2      PRO  10  11.509  -7.604   0.211
  117   2HB   PRO  10           HB1      PRO  10  12.559  -7.452  -1.200
  118   1HG   PRO  10           HG2      PRO  10  12.934  -6.407   1.567
  119   2HG   PRO  10           HG1      PRO  10  14.135  -7.078   0.447
  120   1HD   PRO  10           HD2      PRO  10  13.971  -4.454   0.857
  121   2HD   PRO  10           HD1      PRO  10  14.282  -5.091  -0.771
  122    H    GLN  11           HN       GLN  11  10.902  -4.522   1.399
  123    HA   GLN  11           HA       GLN  11   8.600  -5.669   2.341
  124   1HB   GLN  11           HB2      GLN  11   9.514  -2.798   2.530
  125   2HB   GLN  11           HB1      GLN  11   8.184  -3.460   3.470
  126   1HG   GLN  11           HG2      GLN  11   9.710  -5.046   4.519
  127   2HG   GLN  11           HG1      GLN  11  11.044  -4.395   3.568
  128   1HE2  GLN  11          HE21      GLN  11  10.418  -1.689   3.719
  129   2HE2  GLN  11          HE22      GLN  11  10.639  -1.155   5.351
  130    H    ALA  12           HN       ALA  12   8.945  -3.414  -0.308
  131    HA   ALA  12           HA       ALA  12   6.499  -2.254  -0.543
  132   1HB   ALA  12           HB1      ALA  12   7.114  -1.784  -2.649
  133   2HB   ALA  12           HB2      ALA  12   7.340  -3.483  -3.062
  134   3HB   ALA  12           HB3      ALA  12   8.620  -2.602  -2.230
  135    H    ARG  13           HN       ARG  13   7.308  -5.458  -1.845
  136    HA   ARG  13           HA       ARG  13   4.523  -6.135  -2.221
  137   1HB   ARG  13           HB2      ARG  13   5.338  -8.185  -3.175
  138   2HB   ARG  13           HB1      ARG  13   6.353  -6.878  -3.772
  139   1HG   ARG  13           HG2      ARG  13   7.794  -7.578  -1.641
  140   2HG   ARG  13           HG1      ARG  13   7.014  -9.126  -1.965
  141   1HD   ARG  13           HD2      ARG  13   7.860  -8.158  -4.456
  142   2HD   ARG  13           HD1      ARG  13   9.191  -7.838  -3.342
  143    HE   ARG  13           HE       ARG  13   8.510 -10.407  -2.803
  144   1HH1  ARG  13          HH11      ARG  13   9.338  -8.702  -5.733
  145   2HH1  ARG  13          HH12      ARG  13  10.031 -10.093  -6.495
  146   1HH2  ARG  13          HH21      ARG  13   9.421 -12.238  -3.804
  147   2HH2  ARG  13          HH22      ARG  13  10.079 -12.101  -5.401
  148    H    ALA  14           HN       ALA  14   7.109  -6.846   0.055
  149    HA   ALA  14           HA       ALA  14   5.848  -8.999   1.384
  150   1HB   ALA  14           HB1      ALA  14   8.320  -7.923   1.483
  151   2HB   ALA  14           HB2      ALA  14   7.681  -9.031   2.698
  152   3HB   ALA  14           HB3      ALA  14   7.638  -7.290   2.981
  153    H    PHE  15           HN       PHE  15   6.195  -5.591   2.378
  154    HA   PHE  15           HA       PHE  15   4.573  -5.704   4.614
  155   1HB   PHE  15           HB2      PHE  15   4.753  -3.420   4.700
  156   2HB   PHE  15           HB1      PHE  15   6.064  -3.762   3.589
  157    HD1  PHE  15           HD1      PHE  15   2.397  -3.031   3.474
  158    HD2  PHE  15           HD2      PHE  15   6.227  -2.434   1.725
  159    HE1  PHE  15           HE1      PHE  15   1.406  -1.481   1.841
  160    HE2  PHE  15           HE2      PHE  15   5.241  -0.888   0.088
  161    HZ   PHE  15           HZ       PHE  15   2.829  -0.411   0.144
  162    H    LEU  16           HN       LEU  16   3.702  -4.978   1.255
  163    HA   LEU  16           HA       LEU  16   0.923  -4.694   1.772
  164   1HB   LEU  16           HB2      LEU  16   2.304  -3.961  -0.285
  165   2HB   LEU  16           HB1      LEU  16   2.056  -5.599  -0.857
  166    HG   LEU  16           HG       LEU  16   0.348  -4.458  -1.913
  167   1HD1  LEU  16          HD11      LEU  16  -0.559  -6.338  -0.564
  168   2HD1  LEU  16          HD12      LEU  16  -1.735  -5.067  -0.901
  169   3HD1  LEU  16          HD13      LEU  16  -0.984  -5.174   0.691
  170   1HD2  LEU  16          HD21      LEU  16  -0.577  -2.496  -1.260
  171   2HD2  LEU  16          HD22      LEU  16   0.914  -2.422  -0.318
  172   3HD2  LEU  16          HD23      LEU  16  -0.587  -2.942   0.445
  173    H    GLU  17           HN       GLU  17   2.999  -7.378   0.828
  174    HA   GLU  17           HA       GLU  17   1.201  -9.328   0.155
  175   1HB   GLU  17           HB2      GLU  17   3.892  -9.280   1.297
  176   2HB   GLU  17           HB1      GLU  17   2.982 -10.715   1.753
  177   1HG   GLU  17           HG2      GLU  17   3.116  -9.837  -1.101
  178   2HG   GLU  17           HG1      GLU  17   4.432 -10.758  -0.376
  179    H    GLN  18           HN       GLN  18   2.413  -8.842   3.463
  180    HA   GLN  18           HA       GLN  18   0.467 -10.504   4.656
  181   1HB   GLN  18           HB2      GLN  18   1.154  -9.126   6.769
  182   2HB   GLN  18           HB1      GLN  18   2.309 -10.215   6.016
  183   1HG   GLN  18           HG2      GLN  18   3.722  -8.564   5.584
  184   2HG   GLN  18           HG1      GLN  18   2.456  -7.571   4.870
  185   1HE2  GLN  18          HE21      GLN  18   0.776  -7.206   6.997
  186   2HE2  GLN  18          HE22      GLN  18   1.581  -6.294   8.232
  187    H    VAL  19           HN       VAL  19   0.549  -7.078   3.884
  188    HA   VAL  19           HA       VAL  19  -1.642  -6.189   5.389
  189    HB   VAL  19           HB       VAL  19  -0.619  -5.274   2.696
  190   1HG1  VAL  19          HG11      VAL  19  -1.902  -3.112   3.504
  191   2HG1  VAL  19          HG12      VAL  19  -2.921  -4.312   4.299
  192   3HG1  VAL  19          HG13      VAL  19  -2.699  -4.364   2.551
  193   1HG2  VAL  19          HG21      VAL  19   0.806  -3.942   3.787
  194   2HG2  VAL  19          HG22      VAL  19   0.535  -5.035   5.143
  195   3HG2  VAL  19          HG23      VAL  19  -0.371  -3.528   5.030
  196    H    PHE  20           HN       PHE  20  -1.646  -6.930   1.913
  197    HA   PHE  20           HA       PHE  20  -4.441  -7.112   1.667
  198   1HB   PHE  20           HB2      PHE  20  -2.979  -6.725  -0.246
  199   2HB   PHE  20           HB1      PHE  20  -2.239  -8.304  -0.032
  200    HD1  PHE  20           HD1      PHE  20  -5.022  -6.461  -1.400
  201    HD2  PHE  20           HD2      PHE  20  -3.546 -10.351  -0.510
  202    HE1  PHE  20           HE1      PHE  20  -6.684  -7.437  -2.930
  203    HE2  PHE  20           HE2      PHE  20  -5.205 -11.335  -2.036
  204    HZ   PHE  20           HZ       PHE  20  -6.776  -9.878  -3.250
  205    H    ARG  21           HN       ARG  21  -2.189  -9.255   3.051
  206    HA   ARG  21           HA       ARG  21  -3.647 -11.682   2.530
  207   1HB   ARG  21           HB2      ARG  21  -1.064 -11.037   3.405
  208   2HB   ARG  21           HB1      ARG  21  -1.818 -11.842   4.762
  209   1HG   ARG  21           HG2      ARG  21  -0.634 -13.425   3.359
  210   2HG   ARG  21           HG1      ARG  21  -2.369 -13.744   3.331
  211   1HD   ARG  21           HD2      ARG  21  -2.169 -12.065   1.241
  212   2HD   ARG  21           HD1      ARG  21  -0.571 -12.805   1.185
  213    HE   ARG  21           HE       ARG  21  -3.012 -14.003   0.401
  214   1HH1  ARG  21          HH11      ARG  21   0.006 -14.735   1.991
  215   2HH1  ARG  21          HH12      ARG  21  -0.016 -16.407   1.538
  216   1HH2  ARG  21          HH21      ARG  21  -3.043 -16.204  -0.197
  217   2HH2  ARG  21          HH22      ARG  21  -1.746 -17.240   0.296
  218    H    ARG  22           HN       ARG  22  -3.332  -9.362   5.161
  219    HA   ARG  22           HA       ARG  22  -4.643 -10.797   7.171
  220   1HB   ARG  22           HB2      ARG  22  -4.320  -7.860   6.618
  221   2HB   ARG  22           HB1      ARG  22  -5.234  -8.429   8.007
  222   1HG   ARG  22           HG2      ARG  22  -3.368  -9.291   9.056
  223   2HG   ARG  22           HG1      ARG  22  -2.457  -9.423   7.551
  224   1HD   ARG  22           HD2      ARG  22  -1.478  -7.493   8.058
  225   2HD   ARG  22           HD1      ARG  22  -3.038  -6.704   7.826
  226    HE   ARG  22           HE       ARG  22  -3.081  -6.340  10.068
  227   1HH1  ARG  22          HH11      ARG  22  -1.080  -9.137   9.475
  228   2HH1  ARG  22          HH12      ARG  22  -0.661  -9.346  11.143
  229   1HH2  ARG  22          HH21      ARG  22  -2.532  -6.613  12.260
  230   2HH2  ARG  22          HH22      ARG  22  -1.485  -7.913  12.724
  231    H    LYS  23           HN       LYS  23  -5.855  -8.806   4.557
  232    HA   LYS  23           HA       LYS  23  -8.381 -10.098   4.565
  233   1HB   LYS  23           HB2      LYS  23  -9.825  -8.307   5.234
  234   2HB   LYS  23           HB1      LYS  23  -8.667  -8.583   6.527
  235   1HG   LYS  23           HG2      LYS  23  -7.471  -6.629   6.016
  236   2HG   LYS  23           HG1      LYS  23  -8.267  -6.453   4.456
  237   1HD   LYS  23           HD2      LYS  23  -9.393  -5.963   7.198
  238   2HD   LYS  23           HD1      LYS  23  -9.260  -4.842   5.846
  239   1HE   LYS  23           HE2      LYS  23 -11.477  -5.332   5.699
  240   2HE   LYS  23           HE1      LYS  23 -10.832  -6.618   4.679
  241   1HZ   LYS  23           HZ1      LYS  23 -12.131  -7.854   6.036
  242   2HZ   LYS  23           HZ2      LYS  23 -12.029  -6.774   7.334
  243   3HZ   LYS  23           HZ3      LYS  23 -10.750  -7.833   7.013
  244    H    GLN  24           HN       GLN  24  -9.641  -7.501   3.468
  245    HA   GLN  24           HA       GLN  24  -8.056  -7.158   1.043
  246   1HB   GLN  24           HB2      GLN  24 -10.969  -7.818   0.760
  247   2HB   GLN  24           HB1      GLN  24  -9.702  -7.878  -0.455
  248   1HG   GLN  24           HG2      GLN  24  -9.729  -9.731   1.903
  249   2HG   GLN  24           HG1      GLN  24 -10.611 -10.086   0.418
  250   1HE2  GLN  24          HE21      GLN  24  -8.129 -11.179   1.860
  251   2HE2  GLN  24          HE22      GLN  24  -6.967 -11.338   0.582
  252    H    SER  25           HN       SER  25 -11.114  -6.366   2.647
  253    HA   SER  25           HA       SER  25 -11.296  -3.832   1.288
  254   1HB   SER  25           HB2      SER  25 -13.283  -5.239   1.865
  255   2HB   SER  25           HB1      SER  25 -12.999  -4.855   3.563
  256    HG   SER  25           HG       SER  25 -13.176  -2.602   2.903
  257    H    LEU  26           HN       LEU  26  -9.132  -3.140   2.187
  258    HA   LEU  26           HA       LEU  26  -8.999  -2.389   4.952
  259   1HB   LEU  26           HB2      LEU  26  -7.306  -1.450   2.629
  260   2HB   LEU  26           HB1      LEU  26  -6.943  -1.201   4.324
  261    HG   LEU  26           HG       LEU  26  -6.548  -3.590   2.634
  262   1HD1  LEU  26          HD11      LEU  26  -5.103  -1.963   4.558
  263   2HD1  LEU  26          HD12      LEU  26  -4.497  -2.993   3.261
  264   3HD1  LEU  26          HD13      LEU  26  -4.889  -3.691   4.832
  265   1HD2  LEU  26          HD21      LEU  26  -7.355  -3.840   5.528
  266   2HD2  LEU  26          HD22      LEU  26  -6.667  -5.129   4.540
  267   3HD2  LEU  26          HD23      LEU  26  -8.246  -4.456   4.136
  268    H    ASN  27           HN       ASN  27 -10.284  -0.836   5.734
  269    HA   ASN  27           HA       ASN  27 -11.070   1.380   3.997
  270   1HB   ASN  27           HB2      ASN  27 -12.433   1.890   6.269
  271   2HB   ASN  27           HB1      ASN  27 -13.027   0.827   5.002
  272   1HD2  ASN  27          HD21      ASN  27 -11.063   0.780   7.937
  273   2HD2  ASN  27          HD22      ASN  27 -11.619  -0.762   8.498
  274    H    SER  28           HN       SER  28 -11.430   3.506   5.430
  275    HA   SER  28           HA       SER  28  -9.033   4.757   5.710
  276   1HB   SER  28           HB2      SER  28 -11.736   5.256   6.846
  277   2HB   SER  28           HB1      SER  28 -10.391   6.184   7.517
  278    HG   SER  28           HG       SER  28 -11.695   6.710   5.333
  279    H    LYS  29           HN       LYS  29 -10.581   2.698   8.064
  280    HA   LYS  29           HA       LYS  29  -8.846   3.441  10.226
  281   1HB   LYS  29           HB2      LYS  29 -10.805   1.189   9.828
  282   2HB   LYS  29           HB1      LYS  29  -9.875   1.393  11.302
  283   1HG   LYS  29           HG2      LYS  29 -11.969   3.226  10.172
  284   2HG   LYS  29           HG1      LYS  29 -12.010   2.332  11.693
  285   1HD   LYS  29           HD2      LYS  29 -11.288   4.232  12.632
  286   2HD   LYS  29           HD1      LYS  29  -9.719   3.824  11.935
  287   1HE   LYS  29           HE2      LYS  29 -10.018   5.260  10.118
  288   2HE   LYS  29           HE1      LYS  29 -11.766   5.348  10.360
  289   1HZ   LYS  29           HZ1      LYS  29 -11.184   7.324  11.259
  290   2HZ   LYS  29           HZ2      LYS  29  -9.628   6.818  11.692
  291   3HZ   LYS  29           HZ3      LYS  29 -10.955   6.379  12.645
  292    H    GLU  30           HN       GLU  30  -9.147   0.617   8.106
  293    HA   GLU  30           HA       GLU  30  -6.858  -0.699   9.159
  294   1HB   GLU  30           HB2      GLU  30  -8.229  -1.124   6.496
  295   2HB   GLU  30           HB1      GLU  30  -7.112  -2.230   7.281
  296   1HG   GLU  30           HG2      GLU  30  -9.071  -1.816   9.184
  297   2HG   GLU  30           HG1      GLU  30  -9.963  -1.872   7.665
  298    H    LYS  31           HN       LYS  31  -7.504   1.428   6.446
  299    HA   LYS  31           HA       LYS  31  -5.047   1.186   5.135
  300   1HB   LYS  31           HB2      LYS  31  -5.798   2.889   3.816
  301   2HB   LYS  31           HB1      LYS  31  -7.314   2.458   4.580
  302   1HG   LYS  31           HG2      LYS  31  -7.110   4.266   6.146
  303   2HG   LYS  31           HG1      LYS  31  -5.501   4.657   5.529
  304   1HD   LYS  31           HD2      LYS  31  -6.412   5.287   3.401
  305   2HD   LYS  31           HD1      LYS  31  -8.019   4.739   3.876
  306   1HE   LYS  31           HE2      LYS  31  -7.958   6.448   5.707
  307   2HE   LYS  31           HE1      LYS  31  -6.467   7.066   4.998
  308   1HZ   LYS  31           HZ1      LYS  31  -7.587   7.742   3.074
  309   2HZ   LYS  31           HZ2      LYS  31  -8.610   8.207   4.338
  310   3HZ   LYS  31           HZ3      LYS  31  -8.965   6.826   3.430
  311    H    GLU  32           HN       GLU  32  -6.059   3.073   7.904
  312    HA   GLU  32           HA       GLU  32  -3.490   4.430   8.073
  313   1HB   GLU  32           HB2      GLU  32  -4.463   5.755   9.795
  314   2HB   GLU  32           HB1      GLU  32  -5.699   5.565   8.558
  315   1HG   GLU  32           HG2      GLU  32  -6.875   3.962   9.863
  316   2HG   GLU  32           HG1      GLU  32  -5.562   3.866  11.035
  317    H    GLU  33           HN       GLU  33  -5.346   1.950   9.723
  318    HA   GLU  33           HA       GLU  33  -3.532   1.606  11.900
  319   1HB   GLU  33           HB2      GLU  33  -5.770  -0.080  10.780
  320   2HB   GLU  33           HB1      GLU  33  -4.852  -0.539  12.202
  321   1HG   GLU  33           HG2      GLU  33  -5.987   2.172  12.239
  322   2HG   GLU  33           HG1      GLU  33  -7.150   0.848  12.273
  323    H    VAL  34           HN       VAL  34  -3.978   0.175   8.749
  324    HA   VAL  34           HA       VAL  34  -2.056  -1.934   9.129
  325    HB   VAL  34           HB       VAL  34  -3.444  -0.908   6.643
  326   1HG1  VAL  34          HG11      VAL  34  -2.483  -2.541   5.361
  327   2HG1  VAL  34          HG12      VAL  34  -2.134  -3.579   6.742
  328   3HG1  VAL  34          HG13      VAL  34  -1.137  -2.159   6.432
  329   1HG2  VAL  34          HG21      VAL  34  -4.683  -2.119   8.594
  330   2HG2  VAL  34          HG22      VAL  34  -3.932  -3.563   7.914
  331   3HG2  VAL  34          HG23      VAL  34  -5.004  -2.576   6.920
  332    H    ALA  35           HN       ALA  35  -2.157   1.217   7.544
  333    HA   ALA  35           HA       ALA  35   0.344   1.117   6.287
  334   1HB   ALA  35           HB1      ALA  35  -1.559   3.228   7.036
  335   2HB   ALA  35           HB2      ALA  35  -0.775   2.893   5.493
  336   3HB   ALA  35           HB3      ALA  35   0.103   3.741   6.760
  337    H    LYS  36           HN       LYS  36  -0.521   1.843   9.597
  338    HA   LYS  36           HA       LYS  36   2.122   2.844  10.225
  339   1HB   LYS  36           HB2      LYS  36   1.257   3.250  12.435
  340   2HB   LYS  36           HB1      LYS  36   0.097   3.819  11.243
  341   1HG   LYS  36           HG2      LYS  36  -1.235   1.799  11.568
  342   2HG   LYS  36           HG1      LYS  36  -0.072   1.229  12.767
  343   1HD   LYS  36           HD2      LYS  36  -1.570   3.833  13.001
  344   2HD   LYS  36           HD1      LYS  36  -2.127   2.318  13.714
  345   1HE   LYS  36           HE2      LYS  36  -0.161   2.178  15.088
  346   2HE   LYS  36           HE1      LYS  36   0.555   3.572  14.280
  347   1HZ   LYS  36           HZ1      LYS  36  -1.695   4.657  15.125
  348   2HZ   LYS  36           HZ2      LYS  36  -0.298   4.614  16.077
  349   3HZ   LYS  36           HZ3      LYS  36  -1.522   3.473  16.322
  350    H    LYS  37           HN       LYS  37   0.528  -0.213  10.294
  351    HA   LYS  37           HA       LYS  37   2.564  -1.255  12.141
  352   1HB   LYS  37           HB2      LYS  37   1.144  -3.119  12.563
  353   2HB   LYS  37           HB1      LYS  37   0.144  -1.676  12.657
  354   1HG   LYS  37           HG2      LYS  37  -0.944  -2.151  10.660
  355   2HG   LYS  37           HG1      LYS  37   0.315  -3.261  10.124
  356   1HD   LYS  37           HD2      LYS  37  -1.028  -4.892  10.853
  357   2HD   LYS  37           HD1      LYS  37  -0.545  -4.397  12.477
  358   1HE   LYS  37           HE2      LYS  37  -2.598  -2.643  11.671
  359   2HE   LYS  37           HE1      LYS  37  -3.123  -4.267  11.232
  360   1HZ   LYS  37           HZ1      LYS  37  -3.843  -4.134  13.381
  361   2HZ   LYS  37           HZ2      LYS  37  -2.565  -3.148  13.886
  362   3HZ   LYS  37           HZ3      LYS  37  -2.309  -4.802  13.637
  363    H    CYS  38           HN       CYS  38   1.519  -1.333   8.857
  364    HA   CYS  38           HA       CYS  38   3.222  -3.643   8.291
  365   1HB   CYS  38           HB2      CYS  38   1.306  -2.175   6.472
  366   2HB   CYS  38           HB1      CYS  38   2.162  -3.667   6.091
  367    HG   CYS  38           HG       CYS  38   0.313  -4.884   7.112
  368    H    GLY  39           HN       GLY  39   3.023  -0.190   7.819
  369   1HA   GLY  39           HA2      GLY  39   5.192   0.921   7.551
  370   2HA   GLY  39           HA1      GLY  39   5.624  -0.343   6.413
  371    H    ILE  40           HN       ILE  40   2.418   0.936   6.239
  372    HA   ILE  40           HA       ILE  40   3.195   2.369   3.787
  373    HB   ILE  40           HB       ILE  40   0.330   2.018   4.089
  374   1HG1  ILE  40          HG12      ILE  40   1.977  -0.515   3.894
  375   2HG1  ILE  40          HG11      ILE  40   1.016  -0.048   5.291
  376   1HG2  ILE  40          HG21      ILE  40   0.415   1.749   1.847
  377   2HG2  ILE  40          HG22      ILE  40   1.815   0.680   1.918
  378   3HG2  ILE  40          HG23      ILE  40   2.030   2.424   2.056
  379   1HD1  ILE  40          HD11      ILE  40  -0.363  -0.167   2.678
  380   2HD1  ILE  40          HD12      ILE  40  -0.946  -0.579   4.291
  381   3HD1  ILE  40          HD13      ILE  40   0.110  -1.693   3.423
  382    H    THR  41           HN       THR  41   0.947   3.961   3.451
  383    HA   THR  41           HA       THR  41   0.683   5.532   5.896
  384    HB   THR  41           HB       THR  41   1.149   7.294   3.634
  385    HG1  THR  41           HG1      THR  41   3.332   6.866   3.389
  386   1HG2  THR  41          HG21      THR  41   1.717   8.599   5.318
  387   2HG2  THR  41          HG22      THR  41   3.145   7.599   5.591
  388   3HG2  THR  41          HG23      THR  41   1.640   7.237   6.436
  389    HA   PRO  42           HA       PRO  42  -3.523   6.216   4.844
  390   1HB   PRO  42           HB2      PRO  42  -2.943   9.137   5.046
  391   2HB   PRO  42           HB1      PRO  42  -4.221   8.188   5.814
  392   1HG   PRO  42           HG2      PRO  42  -2.095   8.973   7.208
  393   2HG   PRO  42           HG1      PRO  42  -2.808   7.368   7.460
  394   1HD   PRO  42           HD2      PRO  42  -0.302   8.129   6.040
  395   2HD   PRO  42           HD1      PRO  42  -0.670   6.670   6.982
  396    H    LEU  43           HN       LEU  43  -1.047   8.017   3.154
  397    HA   LEU  43           HA       LEU  43  -2.829   8.696   0.960
  398   1HB   LEU  43           HB2      LEU  43  -0.822  10.085   1.949
  399   2HB   LEU  43           HB1      LEU  43   0.129   9.096   0.858
  400    HG   LEU  43           HG       LEU  43  -1.779   9.940  -0.849
  401   1HD1  LEU  43          HD11      LEU  43  -1.400  12.205   1.103
  402   2HD1  LEU  43          HD12      LEU  43  -2.891  11.297   0.857
  403   3HD1  LEU  43          HD13      LEU  43  -2.239  12.293  -0.445
  404   1HD2  LEU  43          HD21      LEU  43   0.894  10.990  -0.077
  405   2HD2  LEU  43          HD22      LEU  43  -0.068  11.910  -1.234
  406   3HD2  LEU  43          HD23      LEU  43   0.364  10.236  -1.581
  407    H    GLN  44           HN       GLN  44  -0.434   6.331   1.796
  408    HA   GLN  44           HA       GLN  44  -0.083   5.394  -0.911
  409   1HB   GLN  44           HB2      GLN  44   0.705   3.813   1.505
  410   2HB   GLN  44           HB1      GLN  44   1.490   3.898  -0.065
  411   1HG   GLN  44           HG2      GLN  44   1.467   6.070   2.015
  412   2HG   GLN  44           HG1      GLN  44   2.811   4.987   1.664
  413   1HE2  GLN  44          HE21      GLN  44   1.891   8.016   1.286
  414   2HE2  GLN  44          HE22      GLN  44   2.615   8.400  -0.241
  415    H    VAL  45           HN       VAL  45  -1.360   3.965   2.068
  416    HA   VAL  45           HA       VAL  45  -2.431   1.652   1.281
  417    HB   VAL  45           HB       VAL  45  -4.313   2.035   2.852
  418   1HG1  VAL  45          HG11      VAL  45  -2.864   1.504   4.451
  419   2HG1  VAL  45          HG12      VAL  45  -2.181   3.129   4.441
  420   3HG1  VAL  45          HG13      VAL  45  -1.567   1.909   3.328
  421   1HG2  VAL  45          HG21      VAL  45  -4.099   4.250   4.151
  422   2HG2  VAL  45          HG22      VAL  45  -4.906   4.283   2.583
  423   3HG2  VAL  45          HG23      VAL  45  -3.239   4.836   2.727
  424    H    ARG  46           HN       ARG  46  -3.737   4.808   0.432
  425    HA   ARG  46           HA       ARG  46  -6.085   3.673  -0.775
  426   1HB   ARG  46           HB2      ARG  46  -6.244   6.082  -1.734
  427   2HB   ARG  46           HB1      ARG  46  -6.535   5.808  -0.028
  428   1HG   ARG  46           HG2      ARG  46  -4.809   7.074   0.575
  429   2HG   ARG  46           HG1      ARG  46  -3.750   6.363  -0.638
  430   1HD   ARG  46           HD2      ARG  46  -4.196   8.823  -0.904
  431   2HD   ARG  46           HD1      ARG  46  -4.545   7.834  -2.321
  432    HE   ARG  46           HE       ARG  46  -6.882   8.086  -0.790
  433   1HH1  ARG  46          HH11      ARG  46  -4.779  10.026  -2.786
  434   2HH1  ARG  46          HH12      ARG  46  -6.033  11.120  -3.262
  435   1HH2  ARG  46          HH21      ARG  46  -8.533   9.522  -1.414
  436   2HH2  ARG  46          HH22      ARG  46  -8.166  10.835  -2.482
  437    H    VAL  47           HN       VAL  47  -3.366   5.549  -2.181
  438    HA   VAL  47           HA       VAL  47  -3.989   4.737  -4.836
  439    HB   VAL  47           HB       VAL  47  -1.976   5.854  -5.505
  440   1HG1  VAL  47          HG11      VAL  47  -2.583   7.970  -4.902
  441   2HG1  VAL  47          HG12      VAL  47  -2.778   7.548  -3.201
  442   3HG1  VAL  47          HG13      VAL  47  -4.016   7.089  -4.371
  443   1HG2  VAL  47          HG21      VAL  47  -1.204   5.701  -2.594
  444   2HG2  VAL  47          HG22      VAL  47  -0.395   6.749  -3.758
  445   3HG2  VAL  47          HG23      VAL  47  -0.360   4.999  -3.974
  446    H    TRP  48           HN       TRP  48  -1.485   3.768  -2.542
  447    HA   TRP  48           HA       TRP  48  -0.099   1.976  -4.139
  448   1HB   TRP  48           HB2      TRP  48   0.052   2.880  -1.536
  449   2HB   TRP  48           HB1      TRP  48  -0.294   1.168  -1.333
  450    HD1  TRP  48           HD1      TRP  48   2.410   3.572  -2.496
  451    HE1  TRP  48           HE1      TRP  48   4.605   2.273  -2.834
  452    HE3  TRP  48           HE3      TRP  48   0.624  -1.181  -1.985
  453    HZ2  TRP  48           HZ2      TRP  48   5.467  -0.417  -2.875
  454    HZ3  TRP  48           HZ3      TRP  48   2.196  -3.064  -2.181
  455    HH2  TRP  48           HH2      TRP  48   4.565  -2.689  -2.621
  456    H    PHE  49           HN       PHE  49  -2.864   1.357  -1.934
  457    HA   PHE  49           HA       PHE  49  -2.999  -1.408  -2.526
  458   1HB   PHE  49           HB2      PHE  49  -5.104   0.486  -1.485
  459   2HB   PHE  49           HB1      PHE  49  -5.356  -1.242  -1.654
  460    HD1  PHE  49           HD1      PHE  49  -2.062  -1.144  -0.796
  461    HD2  PHE  49           HD2      PHE  49  -5.879  -0.298   0.889
  462    HE1  PHE  49           HE1      PHE  49  -1.146  -1.497   1.461
  463    HE2  PHE  49           HE2      PHE  49  -4.967  -0.649   3.141
  464    HZ   PHE  49           HZ       PHE  49  -2.599  -1.250   3.432
  465    H    ILE  50           HN       ILE  50  -4.333   1.437  -4.123
  466    HA   ILE  50           HA       ILE  50  -6.329   0.308  -5.659
  467    HB   ILE  50           HB       ILE  50  -4.345   2.444  -6.437
  468   1HG1  ILE  50          HG12      ILE  50  -5.643   3.485  -4.877
  469   2HG1  ILE  50          HG11      ILE  50  -6.661   3.744  -6.282
  470   1HG2  ILE  50          HG21      ILE  50  -4.980   1.951  -8.547
  471   2HG2  ILE  50          HG22      ILE  50  -6.393   2.910  -8.107
  472   3HG2  ILE  50          HG23      ILE  50  -6.464   1.150  -8.031
  473   1HD1  ILE  50          HD11      ILE  50  -8.054   3.061  -4.489
  474   2HD1  ILE  50          HD12      ILE  50  -7.014   1.684  -4.124
  475   3HD1  ILE  50          HD13      ILE  50  -7.948   1.710  -5.619
  476    H    ASN  51           HN       ASN  51  -2.875   0.505  -6.494
  477    HA   ASN  51           HA       ASN  51  -3.196  -1.159  -8.815
  478   1HB   ASN  51           HB2      ASN  51  -0.631  -0.338  -7.442
  479   2HB   ASN  51           HB1      ASN  51  -0.806  -0.928  -9.091
  480   1HD2  ASN  51          HD21      ASN  51  -1.021   1.770  -6.988
  481   2HD2  ASN  51          HD22      ASN  51  -1.396   2.959  -8.191
  482    H    LYS  52           HN       LYS  52  -2.172  -1.602  -5.490
  483    HA   LYS  52           HA       LYS  52  -1.449  -4.385  -6.013
  484   1HB   LYS  52           HB2      LYS  52  -0.977  -2.463  -3.786
  485   2HB   LYS  52           HB1      LYS  52  -1.014  -4.175  -3.394
  486   1HG   LYS  52           HG2      LYS  52   0.843  -2.777  -5.303
  487   2HG   LYS  52           HG1      LYS  52   1.249  -3.535  -3.765
  488   1HD   LYS  52           HD2      LYS  52   0.448  -5.713  -4.760
  489   2HD   LYS  52           HD1      LYS  52   0.379  -4.881  -6.314
  490   1HE   LYS  52           HE2      LYS  52   2.665  -4.669  -6.455
  491   2HE   LYS  52           HE1      LYS  52   2.886  -4.744  -4.708
  492   1HZ   LYS  52           HZ1      LYS  52   1.783  -7.172  -5.625
  493   2HZ   LYS  52           HZ2      LYS  52   3.269  -6.906  -4.861
  494   3HZ   LYS  52           HZ3      LYS  52   3.156  -6.809  -6.547
  495    H    ARG  53           HN       ARG  53  -4.253  -3.277  -6.029
  496    HA   ARG  53           HA       ARG  53  -5.569  -5.466  -4.900
  497   1HB   ARG  53           HB2      ARG  53  -4.890  -4.253  -2.788
  498   2HB   ARG  53           HB1      ARG  53  -5.957  -2.947  -3.285
  499   1HG   ARG  53           HG2      ARG  53  -7.639  -5.041  -3.486
  500   2HG   ARG  53           HG1      ARG  53  -6.594  -5.588  -2.179
  501   1HD   ARG  53           HD2      ARG  53  -8.480  -4.393  -1.260
  502   2HD   ARG  53           HD1      ARG  53  -7.007  -3.460  -0.997
  503    HE   ARG  53           HE       ARG  53  -7.900  -2.383  -3.262
  504   1HH1  ARG  53          HH11      ARG  53  -9.587  -3.145  -0.300
  505   2HH1  ARG  53          HH12      ARG  53 -10.747  -1.875  -0.489
  506   1HH2  ARG  53          HH21      ARG  53  -9.426  -0.711  -3.508
  507   2HH2  ARG  53          HH22      ARG  53 -10.657  -0.494  -2.309
  508    H    MET  54           HN       MET  54  -5.543  -3.697  -7.273
  509    HA   MET  54           HA       MET  54  -7.725  -2.013  -7.465
  510   1HB   MET  54           HB2      MET  54  -5.862  -3.055  -9.224
  511   2HB   MET  54           HB1      MET  54  -7.384  -3.677  -9.845
  512   1HG   MET  54           HG2      MET  54  -8.133  -1.167  -9.516
  513   2HG   MET  54           HG1      MET  54  -6.400  -0.886  -9.672
  514   1HE   MET  54           HE1      MET  54  -9.585  -2.366 -11.245
  515   2HE   MET  54           HE2      MET  54  -8.528  -3.750 -11.525
  516   3HE   MET  54           HE3      MET  54  -9.097  -2.786 -12.887
  517    H    ARG  55           HN       ARG  55  -9.385  -2.913  -6.163
  518    HA   ARG  55           HA       ARG  55 -10.562  -5.439  -6.725
  519   1HB   ARG  55           HB2      ARG  55 -11.490  -3.059  -5.124
  520   2HB   ARG  55           HB1      ARG  55 -12.436  -4.535  -5.266
  521   1HG   ARG  55           HG2      ARG  55  -9.750  -5.189  -4.521
  522   2HG   ARG  55           HG1      ARG  55 -10.390  -3.957  -3.430
  523   1HD   ARG  55           HD2      ARG  55 -10.836  -6.255  -2.645
  524   2HD   ARG  55           HD1      ARG  55 -12.310  -5.330  -2.932
  525    HE   ARG  55           HE       ARG  55 -11.560  -6.866  -5.212
  526   1HH1  ARG  55          HH11      ARG  55 -13.101  -7.072  -2.088
  527   2HH1  ARG  55          HH12      ARG  55 -14.067  -8.444  -2.517
  528   1HH2  ARG  55          HH21      ARG  55 -12.829  -8.670  -5.777
  529   2HH2  ARG  55          HH22      ARG  55 -13.913  -9.352  -4.610
  530    H    SER  56           HN       SER  56 -11.563  -2.094  -7.412
  531    HA   SER  56           HA       SER  56 -13.154  -3.118  -9.655
  532   1HB   SER  56           HB2      SER  56 -14.172  -1.819  -7.265
  533   2HB   SER  56           HB1      SER  56 -14.596  -0.915  -8.718
  534    HG   SER  56           HG       SER  56 -15.313  -3.513  -7.955
  535    H    LYS  57           HN       LYS  57 -13.947  -1.155 -11.017
  536    HA   LYS  57           HA       LYS  57 -13.394   0.550 -12.414
  537   1HB   LYS  57           HB2      LYS  57 -12.163   1.413  -9.830
  538   2HB   LYS  57           HB1      LYS  57 -11.798   2.323 -11.289
  539   1HG   LYS  57           HG2      LYS  57 -14.413   2.307 -11.562
  540   2HG   LYS  57           HG1      LYS  57 -14.365   2.044  -9.818
  541   1HD   LYS  57           HD2      LYS  57 -13.943   4.199  -9.469
  542   2HD   LYS  57           HD1      LYS  57 -12.519   4.120 -10.509
  543   1HE   LYS  57           HE2      LYS  57 -13.789   5.717 -11.580
  544   2HE   LYS  57           HE1      LYS  57 -14.260   4.251 -12.440
  545   1HZ   LYS  57           HZ1      LYS  57 -16.023   5.944 -11.478
  546   2HZ   LYS  57           HZ2      LYS  57 -15.833   4.990 -10.094
  547   3HZ   LYS  57           HZ3      LYS  57 -16.327   4.281 -11.548
  Start of MODEL   15
    1   1H    LYS  -3           HT1      LYS  -3  -4.071  14.458   1.344
    2   2H    LYS  -3           HT2      LYS  -3  -3.999  16.025   2.039
    3   3H    LYS  -3           HT3      LYS  -3  -3.984  14.635   3.045
    4    HA   LYS  -3           HA       LYS  -3  -1.905  13.976   1.897
    5   1HB   LYS  -3           HB2      LYS  -3  -2.551  15.857   0.125
    6   2HB   LYS  -3           HB1      LYS  -3  -1.600  16.862   1.211
    7   1HG   LYS  -3           HG2      LYS  -3   0.351  15.884   0.634
    8   2HG   LYS  -3           HG1      LYS  -3  -0.385  14.296   0.404
    9   1HD   LYS  -3           HD2      LYS  -3  -1.062  16.489  -1.499
   10   2HD   LYS  -3           HD1      LYS  -3   0.505  15.689  -1.643
   11   1HE   LYS  -3           HE2      LYS  -3  -0.700  13.506  -1.711
   12   2HE   LYS  -3           HE1      LYS  -3  -2.218  14.401  -1.759
   13   1HZ   LYS  -3           HZ1      LYS  -3  -0.042  14.613  -3.771
   14   2HZ   LYS  -3           HZ2      LYS  -3  -1.526  15.422  -3.823
   15   3HZ   LYS  -3           HZ3      LYS  -3  -1.476  13.738  -3.971
   16    H    LYS  -2           HN       LYS  -2  -2.880  17.043   3.393
   17    HA   LYS  -2           HA       LYS  -2  -2.199  18.106   5.284
   18   1HB   LYS  -2           HB2      LYS  -2  -1.134  15.395   6.093
   19   2HB   LYS  -2           HB1      LYS  -2  -1.488  16.743   7.165
   20   1HG   LYS  -2           HG2      LYS  -2  -3.711  16.351   7.152
   21   2HG   LYS  -2           HG1      LYS  -2  -3.715  15.795   5.477
   22   1HD   LYS  -2           HD2      LYS  -2  -2.278  14.067   7.377
   23   2HD   LYS  -2           HD1      LYS  -2  -4.022  14.173   7.625
   24   1HE   LYS  -2           HE2      LYS  -2  -3.065  13.771   4.849
   25   2HE   LYS  -2           HE1      LYS  -2  -2.900  12.413   5.961
   26   1HZ   LYS  -2           HZ1      LYS  -2  -4.992  12.230   4.879
   27   2HZ   LYS  -2           HZ2      LYS  -2  -5.398  13.835   5.227
   28   3HZ   LYS  -2           HZ3      LYS  -2  -5.302  12.698   6.476
   29    H    GLU  -1           HN       GLU  -1  -0.061  18.120   6.865
   30    HA   GLU  -1           HA       GLU  -1   2.050  18.936   5.066
   31   1HB   GLU  -1           HB2      GLU  -1   2.037  18.990   8.086
   32   2HB   GLU  -1           HB1      GLU  -1   3.111  19.881   7.016
   33   1HG   GLU  -1           HG2      GLU  -1   1.108  21.083   6.137
   34   2HG   GLU  -1           HG1      GLU  -1   0.157  20.294   7.394
   35    H    LYS   0           HN       LYS   0   3.804  17.798   4.559
   36    HA   LYS   0           HA       LYS   0   4.940  15.860   6.358
   37   1HB   LYS   0           HB2      LYS   0   4.765  13.957   4.805
   38   2HB   LYS   0           HB1      LYS   0   3.187  14.499   5.361
   39   1HG   LYS   0           HG2      LYS   0   3.458  15.950   3.089
   40   2HG   LYS   0           HG1      LYS   0   4.338  14.480   2.665
   41   1HD   LYS   0           HD2      LYS   0   1.706  14.163   3.997
   42   2HD   LYS   0           HD1      LYS   0   1.708  14.719   2.322
   43   1HE   LYS   0           HE2      LYS   0   1.540  12.339   2.297
   44   2HE   LYS   0           HE1      LYS   0   3.163  12.769   1.757
   45   1HZ   LYS   0           HZ1      LYS   0   2.461  11.069   3.837
   46   2HZ   LYS   0           HZ2      LYS   0   3.155  12.433   4.558
   47   3HZ   LYS   0           HZ3      LYS   0   4.015  11.565   3.389
   48    H    SER   1           HN       SER   1   7.058  16.126   6.194
   49    HA   SER   1           HA       SER   1   8.230  17.529   3.996
   50   1HB   SER   1           HB2      SER   1  10.112  16.143   5.756
   51   2HB   SER   1           HB1      SER   1   9.952  17.864   5.409
   52    HG   SER   1           HG       SER   1   9.493  17.383   7.598
   53    HA   PRO   2           HA       PRO   2  10.365  13.127   3.317
   54   1HB   PRO   2           HB2      PRO   2   8.080  11.489   4.293
   55   2HB   PRO   2           HB1      PRO   2   9.817  11.189   4.424
   56   1HG   PRO   2           HG2      PRO   2   8.416  11.996   6.539
   57   2HG   PRO   2           HG1      PRO   2  10.058  12.601   6.248
   58   1HD   PRO   2           HD2      PRO   2   7.432  13.954   5.805
   59   2HD   PRO   2           HD1      PRO   2   8.971  14.632   6.375
   60    H    LYS   3           HN       LYS   3  10.113  12.089   1.358
   61    HA   LYS   3           HA       LYS   3   7.872  12.938  -0.243
   62   1HB   LYS   3           HB2      LYS   3   9.064  11.975  -2.110
   63   2HB   LYS   3           HB1      LYS   3  10.188  12.904  -1.128
   64   1HG   LYS   3           HG2      LYS   3  10.586  10.534  -0.010
   65   2HG   LYS   3           HG1      LYS   3  10.036   9.983  -1.593
   66   1HD   LYS   3           HD2      LYS   3  12.112  12.121  -1.437
   67   2HD   LYS   3           HD1      LYS   3  12.581  10.445  -1.141
   68   1HE   LYS   3           HE2      LYS   3  12.900  10.534  -3.398
   69   2HE   LYS   3           HE1      LYS   3  11.208  10.041  -3.361
   70   1HZ   LYS   3           HZ1      LYS   3  11.949  12.896  -3.463
   71   2HZ   LYS   3           HZ2      LYS   3  10.498  12.160  -3.924
   72   3HZ   LYS   3           HZ3      LYS   3  11.881  11.969  -4.878
   73    H    GLY   4           HN       GLY   4   9.052   9.936   1.164
   74   1HA   GLY   4           HA2      GLY   4   7.003   8.508   1.773
   75   2HA   GLY   4           HA1      GLY   4   6.725   8.525   0.039
   76    H    LYS   5           HN       LYS   5   9.740   8.456  -0.344
   77    HA   LYS   5           HA       LYS   5  11.321   6.883  -0.782
   78   1HB   LYS   5           HB2      LYS   5  10.903   6.730   1.868
   79   2HB   LYS   5           HB1      LYS   5  10.423   5.101   1.415
   80   1HG   LYS   5           HG2      LYS   5  12.531   4.495   0.802
   81   2HG   LYS   5           HG1      LYS   5  12.994   6.139   0.358
   82   1HD   LYS   5           HD2      LYS   5  12.811   6.647   2.873
   83   2HD   LYS   5           HD1      LYS   5  12.849   4.896   3.085
   84   1HE   LYS   5           HE2      LYS   5  14.989   4.760   1.990
   85   2HE   LYS   5           HE1      LYS   5  14.935   6.476   1.588
   86   1HZ   LYS   5           HZ1      LYS   5  16.276   6.411   3.449
   87   2HZ   LYS   5           HZ2      LYS   5  15.367   5.206   4.212
   88   3HZ   LYS   5           HZ3      LYS   5  14.769   6.786   4.120
   89    H    SER   6           HN       SER   6   9.686   6.534  -2.616
   90    HA   SER   6           HA       SER   6   7.964   4.342  -2.690
   91   1HB   SER   6           HB2      SER   6   8.191   4.490  -5.160
   92   2HB   SER   6           HB1      SER   6   7.916   6.062  -4.410
   93    HG   SER   6           HG       SER   6   9.661   5.867  -6.053
   94    H    SER   7           HN       SER   7  11.423   4.560  -3.348
   95    HA   SER   7           HA       SER   7  11.584   1.775  -4.118
   96   1HB   SER   7           HB2      SER   7  13.025   3.605  -5.114
   97   2HB   SER   7           HB1      SER   7  13.883   3.660  -3.575
   98    HG   SER   7           HG       SER   7  15.034   2.222  -4.691
   99    H    ILE   8           HN       ILE   8  10.593   1.170  -1.974
  100    HA   ILE   8           HA       ILE   8  12.403   1.276   0.294
  101    HB   ILE   8           HB       ILE   8   9.779   1.449   0.319
  102   1HG1  ILE   8          HG12      ILE   8  11.067  -0.289   2.417
  103   2HG1  ILE   8          HG11      ILE   8  11.461   1.420   2.251
  104   1HG2  ILE   8          HG21      ILE   8   9.832  -1.435   0.992
  105   2HG2  ILE   8          HG22      ILE   8   9.827  -1.007  -0.719
  106   3HG2  ILE   8          HG23      ILE   8   8.529  -0.446   0.334
  107   1HD1  ILE   8          HD11      ILE   8   9.365   0.275   3.700
  108   2HD1  ILE   8          HD12      ILE   8   8.619   1.072   2.315
  109   3HD1  ILE   8          HD13      ILE   8   9.662   1.988   3.403
  110    H    SER   9           HN       SER   9  12.753  -0.775   1.551
  111    HA   SER   9           HA       SER   9  14.235  -2.622   0.100
  112   1HB   SER   9           HB2      SER   9  13.119  -3.814   2.499
  113   2HB   SER   9           HB1      SER   9  14.781  -3.321   2.171
  114    HG   SER   9           HG       SER   9  14.282  -1.933   3.705
  115    HA   PRO  10           HA       PRO  10  11.588  -5.859  -1.430
  116   1HB   PRO  10           HB2      PRO  10  11.690  -7.977   0.368
  117   2HB   PRO  10           HB1      PRO  10  12.837  -7.703  -0.947
  118   1HG   PRO  10           HG2      PRO  10  13.067  -7.012   1.949
  119   2HG   PRO  10           HG1      PRO  10  14.307  -7.637   0.842
  120   1HD   PRO  10           HD2      PRO  10  14.255  -5.065   1.530
  121   2HD   PRO  10           HD1      PRO  10  14.668  -5.548  -0.126
  122    H    GLN  11           HN       GLN  11  11.235  -4.892   1.865
  123    HA   GLN  11           HA       GLN  11   8.825  -6.020   2.616
  124   1HB   GLN  11           HB2      GLN  11   9.855  -3.242   3.227
  125   2HB   GLN  11           HB1      GLN  11   8.576  -4.069   4.106
  126   1HG   GLN  11           HG2      GLN  11  10.082  -4.989   5.433
  127   2HG   GLN  11           HG1      GLN  11  10.820  -5.788   4.048
  128   1HE2  GLN  11          HE21      GLN  11  10.640  -2.336   4.761
  129   2HE2  GLN  11          HE22      GLN  11  12.351  -2.090   4.876
  130    H    ALA  12           HN       ALA  12   9.430  -3.584   0.211
  131    HA   ALA  12           HA       ALA  12   7.090  -2.163   0.106
  132   1HB   ALA  12           HB1      ALA  12   9.210  -2.691  -1.667
  133   2HB   ALA  12           HB2      ALA  12   7.976  -1.439  -1.802
  134   3HB   ALA  12           HB3      ALA  12   7.723  -3.010  -2.562
  135    H    ARG  13           HN       ARG  13   7.671  -5.245  -1.568
  136    HA   ARG  13           HA       ARG  13   4.861  -5.645  -2.077
  137   1HB   ARG  13           HB2      ARG  13   5.547  -7.666  -3.203
  138   2HB   ARG  13           HB1      ARG  13   6.642  -6.368  -3.664
  139   1HG   ARG  13           HG2      ARG  13   7.999  -7.364  -1.584
  140   2HG   ARG  13           HG1      ARG  13   7.154  -8.822  -2.103
  141   1HD   ARG  13           HD2      ARG  13   8.119  -7.594  -4.440
  142   2HD   ARG  13           HD1      ARG  13   9.433  -7.509  -3.265
  143    HE   ARG  13           HE       ARG  13   8.476  -9.839  -4.598
  144   1HH1  ARG  13          HH11      ARG  13   9.884  -8.711  -1.610
  145   2HH1  ARG  13          HH12      ARG  13  10.603 -10.238  -1.227
  146   1HH2  ARG  13          HH21      ARG  13   9.420 -11.850  -4.094
  147   2HH2  ARG  13          HH22      ARG  13  10.341 -12.020  -2.636
  148    H    ALA  14           HN       ALA  14   7.308  -6.856   0.141
  149    HA   ALA  14           HA       ALA  14   5.833  -9.013   1.194
  150   1HB   ALA  14           HB1      ALA  14   7.832  -9.381   2.081
  151   2HB   ALA  14           HB2      ALA  14   7.540  -8.063   3.215
  152   3HB   ALA  14           HB3      ALA  14   8.352  -7.744   1.682
  153    H    PHE  15           HN       PHE  15   6.317  -5.711   2.425
  154    HA   PHE  15           HA       PHE  15   4.749  -5.929   4.698
  155   1HB   PHE  15           HB2      PHE  15   5.030  -3.668   4.965
  156   2HB   PHE  15           HB1      PHE  15   6.334  -4.000   3.843
  157    HD1  PHE  15           HD1      PHE  15   2.698  -3.086   3.708
  158    HD2  PHE  15           HD2      PHE  15   6.609  -2.498   2.132
  159    HE1  PHE  15           HE1      PHE  15   1.828  -1.363   2.187
  160    HE2  PHE  15           HE2      PHE  15   5.738  -0.777   0.607
  161    HZ   PHE  15           HZ       PHE  15   3.346  -0.209   0.633
  162    H    LEU  16           HN       LEU  16   3.833  -4.869   1.429
  163    HA   LEU  16           HA       LEU  16   1.086  -4.583   2.196
  164   1HB   LEU  16           HB2      LEU  16   2.449  -3.521   0.182
  165   2HB   LEU  16           HB1      LEU  16   1.817  -4.925  -0.660
  166    HG   LEU  16           HG       LEU  16  -0.383  -3.862   0.692
  167   1HD1  LEU  16          HD11      LEU  16  -0.124  -1.504  -0.588
  168   2HD1  LEU  16          HD12      LEU  16   1.535  -1.762  -0.048
  169   3HD1  LEU  16          HD13      LEU  16   0.220  -1.741   1.125
  170   1HD2  LEU  16          HD21      LEU  16  -0.986  -4.631  -1.327
  171   2HD2  LEU  16          HD22      LEU  16   0.552  -4.192  -2.069
  172   3HD2  LEU  16          HD23      LEU  16  -0.699  -2.969  -1.844
  173    H    GLU  17           HN       GLU  17   3.100  -7.137   0.994
  174    HA   GLU  17           HA       GLU  17   1.205  -8.871  -0.091
  175   1HB   GLU  17           HB2      GLU  17   3.900  -9.103   1.032
  176   2HB   GLU  17           HB1      GLU  17   2.931 -10.550   1.275
  177   1HG   GLU  17           HG2      GLU  17   2.528 -10.730  -1.096
  178   2HG   GLU  17           HG1      GLU  17   3.385  -9.217  -1.385
  179    H    GLN  18           HN       GLN  18   2.446  -8.845   3.238
  180    HA   GLN  18           HA       GLN  18   0.509 -10.615   4.261
  181   1HB   GLN  18           HB2      GLN  18   1.179  -9.503   6.499
  182   2HB   GLN  18           HB1      GLN  18   2.402 -10.394   5.605
  183   1HG   GLN  18           HG2      GLN  18   3.705  -8.611   5.589
  184   2HG   GLN  18           HG1      GLN  18   2.473  -7.707   4.716
  185   1HE2  GLN  18          HE21      GLN  18   0.491  -7.659   6.685
  186   2HE2  GLN  18          HE22      GLN  18   1.037  -6.657   7.990
  187    H    VAL  19           HN       VAL  19   0.561  -7.154   3.753
  188    HA   VAL  19           HA       VAL  19  -1.631  -6.413   5.351
  189    HB   VAL  19           HB       VAL  19  -0.569  -5.223   2.785
  190   1HG1  VAL  19          HG11      VAL  19  -2.885  -4.397   4.468
  191   2HG1  VAL  19          HG12      VAL  19  -2.688  -4.350   2.715
  192   3HG1  VAL  19          HG13      VAL  19  -1.873  -3.159   3.727
  193   1HG2  VAL  19          HG21      VAL  19   0.855  -4.053   4.047
  194   2HG2  VAL  19          HG22      VAL  19   0.492  -5.224   5.313
  195   3HG2  VAL  19          HG23      VAL  19  -0.375  -3.691   5.255
  196    H    PHE  20           HN       PHE  20  -1.560  -7.016   1.838
  197    HA   PHE  20           HA       PHE  20  -4.384  -7.062   1.563
  198   1HB   PHE  20           HB2      PHE  20  -3.042  -6.508  -0.343
  199   2HB   PHE  20           HB1      PHE  20  -2.143  -8.014  -0.225
  200    HD1  PHE  20           HD1      PHE  20  -5.041  -6.370  -1.570
  201    HD2  PHE  20           HD2      PHE  20  -3.307 -10.168  -0.748
  202    HE1  PHE  20           HE1      PHE  20  -6.602  -7.423  -3.154
  203    HE2  PHE  20           HE2      PHE  20  -4.866 -11.227  -2.329
  204    HZ   PHE  20           HZ       PHE  20  -6.517  -9.854  -3.535
  205    H    ARG  21           HN       ARG  21  -2.179  -9.338   2.772
  206    HA   ARG  21           HA       ARG  21  -3.685 -11.685   2.023
  207   1HB   ARG  21           HB2      ARG  21  -1.083 -11.252   2.765
  208   2HB   ARG  21           HB1      ARG  21  -1.765 -11.931   4.228
  209   1HG   ARG  21           HG2      ARG  21  -1.331 -13.913   3.310
  210   2HG   ARG  21           HG1      ARG  21  -2.734 -13.605   2.284
  211   1HD   ARG  21           HD2      ARG  21  -1.332 -12.679   0.560
  212   2HD   ARG  21           HD1      ARG  21   0.086 -12.789   1.600
  213    HE   ARG  21           HE       ARG  21  -0.797 -15.351   1.449
  214   1HH1  ARG  21          HH11      ARG  21   0.019 -12.933  -0.933
  215   2HH1  ARG  21          HH12      ARG  21   0.536 -14.090  -2.113
  216   1HH2  ARG  21          HH21      ARG  21  -0.115 -16.874  -0.102
  217   2HH2  ARG  21          HH22      ARG  21   0.459 -16.328  -1.642
  218    H    ARG  22           HN       ARG  22  -3.309  -9.600   4.825
  219    HA   ARG  22           HA       ARG  22  -4.648 -11.172   6.721
  220   1HB   ARG  22           HB2      ARG  22  -4.248  -8.202   6.433
  221   2HB   ARG  22           HB1      ARG  22  -5.136  -8.886   7.786
  222   1HG   ARG  22           HG2      ARG  22  -3.240  -9.977   8.627
  223   2HG   ARG  22           HG1      ARG  22  -2.352  -9.773   7.116
  224   1HD   ARG  22           HD2      ARG  22  -1.410  -8.002   8.100
  225   2HD   ARG  22           HD1      ARG  22  -2.948  -7.188   7.819
  226    HE   ARG  22           HE       ARG  22  -3.327  -7.232  10.069
  227   1HH1  ARG  22          HH11      ARG  22  -0.863  -9.585   9.316
  228   2HH1  ARG  22          HH12      ARG  22  -0.528  -9.951  10.975
  229   1HH2  ARG  22          HH21      ARG  22  -2.888  -7.711  12.253
  230   2HH2  ARG  22          HH22      ARG  22  -1.679  -8.889  12.642
  231    H    LYS  23           HN       LYS  23  -5.803  -8.897   4.316
  232    HA   LYS  23           HA       LYS  23  -8.396 -10.079   4.278
  233   1HB   LYS  23           HB2      LYS  23  -9.719  -8.241   5.048
  234   2HB   LYS  23           HB1      LYS  23  -8.550  -8.618   6.305
  235   1HG   LYS  23           HG2      LYS  23  -7.189  -6.735   5.649
  236   2HG   LYS  23           HG1      LYS  23  -8.267  -6.388   4.304
  237   1HD   LYS  23           HD2      LYS  23  -8.528  -5.728   7.148
  238   2HD   LYS  23           HD1      LYS  23  -9.197  -4.928   5.731
  239   1HE   LYS  23           HE2      LYS  23 -10.295  -7.460   6.952
  240   2HE   LYS  23           HE1      LYS  23 -10.917  -5.842   7.263
  241   1HZ   LYS  23           HZ1      LYS  23 -11.699  -7.522   5.251
  242   2HZ   LYS  23           HZ2      LYS  23 -10.725  -6.380   4.469
  243   3HZ   LYS  23           HZ3      LYS  23 -12.060  -5.872   5.375
  244    H    GLN  24           HN       GLN  24  -9.589  -7.474   3.270
  245    HA   GLN  24           HA       GLN  24  -7.972  -7.000   0.891
  246   1HB   GLN  24           HB2      GLN  24 -10.868  -7.686   0.524
  247   2HB   GLN  24           HB1      GLN  24  -9.578  -7.678  -0.668
  248   1HG   GLN  24           HG2      GLN  24  -9.678  -9.633   1.609
  249   2HG   GLN  24           HG1      GLN  24 -10.443  -9.935   0.049
  250   1HE2  GLN  24          HE21      GLN  24  -8.386 -11.489   1.220
  251   2HE2  GLN  24          HE22      GLN  24  -7.000 -11.394   0.183
  252    H    SER  25           HN       SER  25 -11.065  -6.316   2.480
  253    HA   SER  25           HA       SER  25 -11.258  -3.732   1.220
  254   1HB   SER  25           HB2      SER  25 -13.239  -5.171   1.697
  255   2HB   SER  25           HB1      SER  25 -12.983  -4.883   3.418
  256    HG   SER  25           HG       SER  25 -13.421  -2.857   1.477
  257    H    LEU  26           HN       LEU  26  -9.163  -2.974   2.143
  258    HA   LEU  26           HA       LEU  26  -9.034  -2.365   4.945
  259   1HB   LEU  26           HB2      LEU  26  -7.403  -1.281   2.641
  260   2HB   LEU  26           HB1      LEU  26  -7.046  -1.027   4.336
  261    HG   LEU  26           HG       LEU  26  -6.415  -3.297   2.609
  262   1HD1  LEU  26          HD11      LEU  26  -5.159  -3.276   5.195
  263   2HD1  LEU  26          HD12      LEU  26  -5.153  -1.660   4.491
  264   3HD1  LEU  26          HD13      LEU  26  -4.454  -3.012   3.602
  265   1HD2  LEU  26          HD21      LEU  26  -6.603  -4.959   4.471
  266   2HD2  LEU  26          HD22      LEU  26  -8.140  -4.466   3.761
  267   3HD2  LEU  26          HD23      LEU  26  -7.633  -3.802   5.315
  268    H    ASN  27           HN       ASN  27 -10.197  -0.803   5.890
  269    HA   ASN  27           HA       ASN  27 -11.239   1.375   4.241
  270   1HB   ASN  27           HB2      ASN  27 -12.173   1.654   6.905
  271   2HB   ASN  27           HB1      ASN  27 -13.080   1.151   5.485
  272   1HD2  ASN  27          HD21      ASN  27 -11.477   0.149   8.369
  273   2HD2  ASN  27          HD22      ASN  27 -12.013  -1.500   8.348
  274    H    SER  28           HN       SER  28 -11.484   3.517   5.617
  275    HA   SER  28           HA       SER  28  -9.049   4.762   5.728
  276   1HB   SER  28           HB2      SER  28 -11.713   5.346   6.932
  277   2HB   SER  28           HB1      SER  28 -10.333   6.301   7.484
  278    HG   SER  28           HG       SER  28 -11.727   6.741   5.357
  279    H    LYS  29           HN       LYS  29 -10.553   2.801   8.174
  280    HA   LYS  29           HA       LYS  29  -8.795   3.601  10.296
  281   1HB   LYS  29           HB2      LYS  29 -10.775   1.358   9.960
  282   2HB   LYS  29           HB1      LYS  29  -9.806   1.547  11.411
  283   1HG   LYS  29           HG2      LYS  29 -11.896   3.417  10.336
  284   2HG   LYS  29           HG1      LYS  29 -11.921   2.515  11.851
  285   1HD   LYS  29           HD2      LYS  29 -11.165   4.418  12.769
  286   2HD   LYS  29           HD1      LYS  29  -9.608   3.949  12.082
  287   1HE   LYS  29           HE2      LYS  29  -9.682   5.542  10.487
  288   2HE   LYS  29           HE1      LYS  29 -11.424   5.366  10.250
  289   1HZ   LYS  29           HZ1      LYS  29 -11.890   6.911  11.821
  290   2HZ   LYS  29           HZ2      LYS  29 -10.370   7.498  11.364
  291   3HZ   LYS  29           HZ3      LYS  29 -10.528   6.557  12.762
  292    H    GLU  30           HN       GLU  30  -9.128   0.738   8.243
  293    HA   GLU  30           HA       GLU  30  -6.830  -0.563   9.296
  294   1HB   GLU  30           HB2      GLU  30  -8.282  -1.036   6.684
  295   2HB   GLU  30           HB1      GLU  30  -7.114  -2.123   7.425
  296   1HG   GLU  30           HG2      GLU  30  -9.006  -1.696   9.405
  297   2HG   GLU  30           HG1      GLU  30  -9.944  -1.828   7.918
  298    H    LYS  31           HN       LYS  31  -7.494   1.534   6.561
  299    HA   LYS  31           HA       LYS  31  -5.043   1.215   5.233
  300   1HB   LYS  31           HB2      LYS  31  -5.768   2.894   3.863
  301   2HB   LYS  31           HB1      LYS  31  -7.293   2.463   4.611
  302   1HG   LYS  31           HG2      LYS  31  -7.106   4.307   6.156
  303   2HG   LYS  31           HG1      LYS  31  -5.511   4.708   5.510
  304   1HD   LYS  31           HD2      LYS  31  -6.424   5.327   3.411
  305   2HD   LYS  31           HD1      LYS  31  -8.006   4.665   3.828
  306   1HE   LYS  31           HE2      LYS  31  -7.817   6.402   5.807
  307   2HE   LYS  31           HE1      LYS  31  -6.714   7.204   4.689
  308   1HZ   LYS  31           HZ1      LYS  31  -9.565   6.532   4.224
  309   2HZ   LYS  31           HZ2      LYS  31  -8.527   7.086   3.010
  310   3HZ   LYS  31           HZ3      LYS  31  -8.879   8.075   4.335
  311    H    GLU  32           HN       GLU  32  -6.037   3.187   7.944
  312    HA   GLU  32           HA       GLU  32  -3.467   4.549   8.052
  313   1HB   GLU  32           HB2      GLU  32  -4.426   5.912   9.752
  314   2HB   GLU  32           HB1      GLU  32  -5.674   5.691   8.534
  315   1HG   GLU  32           HG2      GLU  32  -6.834   4.122   9.887
  316   2HG   GLU  32           HG1      GLU  32  -5.507   4.044  11.042
  317    H    GLU  33           HN       GLU  33  -5.295   2.095   9.762
  318    HA   GLU  33           HA       GLU  33  -3.454   1.806  11.929
  319   1HB   GLU  33           HB2      GLU  33  -5.720   0.107  10.890
  320   2HB   GLU  33           HB1      GLU  33  -4.778  -0.327  12.304
  321   1HG   GLU  33           HG2      GLU  33  -5.891   2.392  12.308
  322   2HG   GLU  33           HG1      GLU  33  -7.066   1.080  12.382
  323    H    VAL  34           HN       VAL  34  -3.958   0.289   8.824
  324    HA   VAL  34           HA       VAL  34  -2.030  -1.810   9.242
  325    HB   VAL  34           HB       VAL  34  -3.454  -0.875   6.738
  326   1HG1  VAL  34          HG11      VAL  34  -2.171  -3.550   6.901
  327   2HG1  VAL  34          HG12      VAL  34  -1.143  -2.156   6.570
  328   3HG1  VAL  34          HG13      VAL  34  -2.492  -2.530   5.500
  329   1HG2  VAL  34          HG21      VAL  34  -4.631  -2.045   8.783
  330   2HG2  VAL  34          HG22      VAL  34  -3.939  -3.496   8.058
  331   3HG2  VAL  34          HG23      VAL  34  -5.035  -2.479   7.122
  332    H    ALA  35           HN       ALA  35  -2.149   1.314   7.613
  333    HA   ALA  35           HA       ALA  35   0.333   1.159   6.309
  334   1HB   ALA  35           HB1      ALA  35   0.089   3.803   6.705
  335   2HB   ALA  35           HB2      ALA  35  -1.572   3.285   6.978
  336   3HB   ALA  35           HB3      ALA  35  -0.769   2.909   5.456
  337    H    LYS  36           HN       LYS  36  -0.501   2.011   9.596
  338    HA   LYS  36           HA       LYS  36   2.157   3.013  10.158
  339   1HB   LYS  36           HB2      LYS  36   1.319   3.540  12.344
  340   2HB   LYS  36           HB1      LYS  36   0.133   4.037  11.147
  341   1HG   LYS  36           HG2      LYS  36  -1.163   2.005  11.604
  342   2HG   LYS  36           HG1      LYS  36   0.014   1.549  12.836
  343   1HD   LYS  36           HD2      LYS  36  -1.145   4.260  13.058
  344   2HD   LYS  36           HD1      LYS  36  -2.237   2.911  13.377
  345   1HE   LYS  36           HE2      LYS  36   0.464   3.177  14.675
  346   2HE   LYS  36           HE1      LYS  36  -1.007   3.849  15.377
  347   1HZ   LYS  36           HZ1      LYS  36  -0.220   1.042  15.045
  348   2HZ   LYS  36           HZ2      LYS  36  -1.866   1.429  15.031
  349   3HZ   LYS  36           HZ3      LYS  36  -0.920   1.812  16.380
  350    H    LYS  37           HN       LYS  37   0.521  -0.017  10.381
  351    HA   LYS  37           HA       LYS  37   2.572  -1.013  12.234
  352   1HB   LYS  37           HB2      LYS  37   1.131  -2.821  12.772
  353   2HB   LYS  37           HB1      LYS  37   0.138  -1.370  12.784
  354   1HG   LYS  37           HG2      LYS  37  -0.808  -1.926  10.659
  355   2HG   LYS  37           HG1      LYS  37   0.305  -3.279  10.463
  356   1HD   LYS  37           HD2      LYS  37  -0.988  -4.639  11.678
  357   2HD   LYS  37           HD1      LYS  37  -1.192  -3.433  12.949
  358   1HE   LYS  37           HE2      LYS  37  -3.338  -3.450  12.267
  359   2HE   LYS  37           HE1      LYS  37  -2.738  -2.365  11.013
  360   1HZ   LYS  37           HZ1      LYS  37  -4.018  -4.062   9.978
  361   2HZ   LYS  37           HZ2      LYS  37  -3.182  -5.290  10.787
  362   3HZ   LYS  37           HZ3      LYS  37  -2.395  -4.367   9.608
  363    H    CYS  38           HN       CYS  38   1.454  -1.235   8.972
  364    HA   CYS  38           HA       CYS  38   3.115  -3.590   8.487
  365   1HB   CYS  38           HB2      CYS  38   1.152  -2.165   6.682
  366   2HB   CYS  38           HB1      CYS  38   2.054  -3.615   6.251
  367    HG   CYS  38           HG       CYS  38   0.706  -4.706   8.392
  368    H    GLY  39           HN       GLY  39   3.000  -0.154   7.888
  369   1HA   GLY  39           HA2      GLY  39   5.199   0.879   7.545
  370   2HA   GLY  39           HA1      GLY  39   5.572  -0.435   6.443
  371    H    ILE  40           HN       ILE  40   2.420   1.037   6.341
  372    HA   ILE  40           HA       ILE  40   3.205   2.352   3.825
  373    HB   ILE  40           HB       ILE  40   0.341   2.042   4.106
  374   1HG1  ILE  40          HG12      ILE  40   1.907  -0.538   3.977
  375   2HG1  ILE  40          HG11      ILE  40   1.037   0.009   5.399
  376   1HG2  ILE  40          HG21      ILE  40   0.454   1.700   1.877
  377   2HG2  ILE  40          HG22      ILE  40   1.821   0.596   2.005
  378   3HG2  ILE  40          HG23      ILE  40   2.086   2.337   2.084
  379   1HD1  ILE  40          HD11      ILE  40   0.060  -1.488   3.232
  380   2HD1  ILE  40          HD12      ILE  40  -0.717   0.094   3.160
  381   3HD1  ILE  40          HD13      ILE  40  -0.829  -0.878   4.627
  382    H    THR  41           HN       THR  41   0.877   3.906   3.500
  383    HA   THR  41           HA       THR  41   0.651   5.543   5.896
  384    HB   THR  41           HB       THR  41   1.139   7.253   3.595
  385    HG1  THR  41           HG1      THR  41   3.313   5.674   4.493
  386   1HG2  THR  41          HG21      THR  41   3.108   7.560   5.604
  387   2HG2  THR  41          HG22      THR  41   1.551   7.302   6.391
  388   3HG2  THR  41          HG23      THR  41   1.743   8.610   5.223
  389    HA   PRO  42           HA       PRO  42  -3.538   6.247   4.772
  390   1HB   PRO  42           HB2      PRO  42  -2.963   9.170   4.933
  391   2HB   PRO  42           HB1      PRO  42  -4.237   8.229   5.718
  392   1HG   PRO  42           HG2      PRO  42  -2.118   9.051   7.100
  393   2HG   PRO  42           HG1      PRO  42  -2.816   7.444   7.378
  394   1HD   PRO  42           HD2      PRO  42  -0.327   8.206   5.922
  395   2HD   PRO  42           HD1      PRO  42  -0.660   6.776   6.918
  396    H    LEU  43           HN       LEU  43  -1.012   7.950   3.076
  397    HA   LEU  43           HA       LEU  43  -2.762   8.613   0.848
  398   1HB   LEU  43           HB2      LEU  43  -1.173  10.096   0.172
  399   2HB   LEU  43           HB1      LEU  43  -0.773  10.013   1.875
  400    HG   LEU  43           HG       LEU  43   0.869   8.103   1.037
  401   1HD1  LEU  43          HD11      LEU  43  -0.123   8.641  -1.350
  402   2HD1  LEU  43          HD12      LEU  43   1.575   8.217  -1.128
  403   3HD1  LEU  43          HD13      LEU  43   1.105   9.906  -1.311
  404   1HD2  LEU  43          HD21      LEU  43   2.631   9.802   0.898
  405   2HD2  LEU  43          HD22      LEU  43   1.535  10.104   2.246
  406   3HD2  LEU  43          HD23      LEU  43   1.400  11.059   0.770
  407    H    GLN  44           HN       GLN  44  -0.344   6.290   1.758
  408    HA   GLN  44           HA       GLN  44   0.038   5.310  -0.926
  409   1HB   GLN  44           HB2      GLN  44   0.799   3.754   1.512
  410   2HB   GLN  44           HB1      GLN  44   1.601   3.827  -0.047
  411   1HG   GLN  44           HG2      GLN  44   1.540   6.059   1.967
  412   2HG   GLN  44           HG1      GLN  44   2.872   4.929   1.743
  413   1HE2  GLN  44          HE21      GLN  44   3.034   7.744   1.512
  414   2HE2  GLN  44          HE22      GLN  44   3.467   8.115  -0.124
  415    H    VAL  45           HN       VAL  45  -1.316   3.982   2.063
  416    HA   VAL  45           HA       VAL  45  -2.360   1.625   1.359
  417    HB   VAL  45           HB       VAL  45  -4.315   2.104   2.825
  418   1HG1  VAL  45          HG11      VAL  45  -2.945   1.608   4.504
  419   2HG1  VAL  45          HG12      VAL  45  -2.222   3.215   4.457
  420   3HG1  VAL  45          HG13      VAL  45  -1.594   1.935   3.419
  421   1HG2  VAL  45          HG21      VAL  45  -3.241   4.870   2.516
  422   2HG2  VAL  45          HG22      VAL  45  -3.964   4.402   4.056
  423   3HG2  VAL  45          HG23      VAL  45  -4.913   4.312   2.571
  424    H    ARG  46           HN       ARG  46  -3.682   4.736   0.333
  425    HA   ARG  46           HA       ARG  46  -5.962   3.526  -0.925
  426   1HB   ARG  46           HB2      ARG  46  -6.016   5.929  -2.019
  427   2HB   ARG  46           HB1      ARG  46  -6.536   5.663  -0.367
  428   1HG   ARG  46           HG2      ARG  46  -4.773   6.783   0.509
  429   2HG   ARG  46           HG1      ARG  46  -3.691   6.332  -0.802
  430   1HD   ARG  46           HD2      ARG  46  -4.394   8.783  -0.639
  431   2HD   ARG  46           HD1      ARG  46  -4.510   8.002  -2.215
  432    HE   ARG  46           HE       ARG  46  -6.761   8.352  -2.159
  433   1HH1  ARG  46          HH11      ARG  46  -5.543   8.533   1.107
  434   2HH1  ARG  46          HH12      ARG  46  -7.065   9.010   1.781
  435   1HH2  ARG  46          HH21      ARG  46  -8.763   8.978  -1.274
  436   2HH2  ARG  46          HH22      ARG  46  -8.894   9.262   0.430
  437    H    VAL  47           HN       VAL  47  -3.105   5.264  -2.209
  438    HA   VAL  47           HA       VAL  47  -3.607   4.511  -4.904
  439    HB   VAL  47           HB       VAL  47  -1.388   5.352  -5.396
  440   1HG1  VAL  47          HG11      VAL  47  -2.835   7.139  -5.227
  441   2HG1  VAL  47          HG12      VAL  47  -1.581   7.589  -4.071
  442   3HG1  VAL  47          HG13      VAL  47  -3.099   6.897  -3.501
  443   1HG2  VAL  47          HG21      VAL  47   0.020   6.180  -3.441
  444   2HG2  VAL  47          HG22      VAL  47  -0.040   4.434  -3.689
  445   3HG2  VAL  47          HG23      VAL  47  -1.009   5.178  -2.419
  446    H    TRP  48           HN       TRP  48  -1.433   3.268  -2.421
  447    HA   TRP  48           HA       TRP  48  -0.120   1.340  -3.950
  448   1HB   TRP  48           HB2      TRP  48  -0.129   2.240  -1.278
  449   2HB   TRP  48           HB1      TRP  48  -0.382   0.504  -1.208
  450    HD1  TRP  48           HD1      TRP  48   2.266   3.097  -1.763
  451    HE1  TRP  48           HE1      TRP  48   4.529   1.951  -2.204
  452    HE3  TRP  48           HE3      TRP  48   0.632  -1.694  -2.419
  453    HZ2  TRP  48           HZ2      TRP  48   5.493  -0.648  -2.754
  454    HZ3  TRP  48           HZ3      TRP  48   2.280  -3.450  -2.893
  455    HH2  TRP  48           HH2      TRP  48   4.661  -2.942  -3.057
  456    H    PHE  49           HN       PHE  49  -2.918   0.941  -1.734
  457    HA   PHE  49           HA       PHE  49  -3.319  -1.787  -2.386
  458   1HB   PHE  49           HB2      PHE  49  -5.261   0.242  -1.259
  459   2HB   PHE  49           HB1      PHE  49  -5.568  -1.485  -1.359
  460    HD1  PHE  49           HD1      PHE  49  -2.508  -2.062  -0.622
  461    HD2  PHE  49           HD2      PHE  49  -5.676   0.170   1.138
  462    HE1  PHE  49           HE1      PHE  49  -1.490  -2.364   1.598
  463    HE2  PHE  49           HE2      PHE  49  -4.659  -0.123   3.355
  464    HZ   PHE  49           HZ       PHE  49  -2.564  -1.389   3.588
  465    H    ILE  50           HN       ILE  50  -4.343   1.212  -3.864
  466    HA   ILE  50           HA       ILE  50  -6.522   0.347  -5.361
  467    HB   ILE  50           HB       ILE  50  -4.557   2.544  -5.612
  468   1HG1  ILE  50          HG12      ILE  50  -6.757   2.684  -4.429
  469   2HG1  ILE  50          HG11      ILE  50  -6.547   3.898  -5.686
  470   1HG2  ILE  50          HG21      ILE  50  -4.375   1.943  -7.867
  471   2HG2  ILE  50          HG22      ILE  50  -5.618   3.194  -7.845
  472   3HG2  ILE  50          HG23      ILE  50  -6.078   1.497  -7.978
  473   1HD1  ILE  50          HD11      ILE  50  -7.839   1.440  -6.598
  474   2HD1  ILE  50          HD12      ILE  50  -8.272   3.128  -6.874
  475   3HD1  ILE  50          HD13      ILE  50  -8.739   2.332  -5.371
  476    H    ASN  51           HN       ASN  51  -3.087   0.376  -6.312
  477    HA   ASN  51           HA       ASN  51  -3.599  -1.112  -8.718
  478   1HB   ASN  51           HB2      ASN  51  -0.957  -0.512  -7.367
  479   2HB   ASN  51           HB1      ASN  51  -1.179  -1.072  -9.021
  480   1HD2  ASN  51          HD21      ASN  51  -0.012   1.407  -7.782
  481   2HD2  ASN  51          HD22      ASN  51  -0.788   2.711  -8.621
  482    H    LYS  52           HN       LYS  52  -2.678  -1.787  -5.439
  483    HA   LYS  52           HA       LYS  52  -2.058  -4.575  -6.050
  484   1HB   LYS  52           HB2      LYS  52  -1.822  -2.891  -3.560
  485   2HB   LYS  52           HB1      LYS  52  -1.585  -4.633  -3.539
  486   1HG   LYS  52           HG2      LYS  52  -0.029  -2.804  -5.343
  487   2HG   LYS  52           HG1      LYS  52   0.491  -3.213  -3.710
  488   1HD   LYS  52           HD2      LYS  52   0.226  -5.657  -4.446
  489   2HD   LYS  52           HD1      LYS  52   0.185  -5.016  -6.090
  490   1HE   LYS  52           HE2      LYS  52   2.359  -3.762  -5.298
  491   2HE   LYS  52           HE1      LYS  52   2.422  -5.074  -4.122
  492   1HZ   LYS  52           HZ1      LYS  52   2.469  -6.670  -5.877
  493   2HZ   LYS  52           HZ2      LYS  52   3.668  -5.520  -6.194
  494   3HZ   LYS  52           HZ3      LYS  52   2.213  -5.482  -7.055
  495    H    ARG  53           HN       ARG  53  -4.799  -3.212  -6.093
  496    HA   ARG  53           HA       ARG  53  -6.332  -5.385  -5.227
  497   1HB   ARG  53           HB2      ARG  53  -5.638  -4.349  -2.988
  498   2HB   ARG  53           HB1      ARG  53  -6.675  -2.998  -3.423
  499   1HG   ARG  53           HG2      ARG  53  -8.381  -5.017  -3.850
  500   2HG   ARG  53           HG1      ARG  53  -7.391  -5.718  -2.573
  501   1HD   ARG  53           HD2      ARG  53  -9.100  -4.636  -1.419
  502   2HD   ARG  53           HD1      ARG  53  -7.760  -3.496  -1.344
  503    HE   ARG  53           HE       ARG  53 -10.051  -3.265  -3.187
  504   1HH1  ARG  53          HH11      ARG  53  -7.530  -1.794  -1.254
  505   2HH1  ARG  53          HH12      ARG  53  -8.037  -0.181  -1.613
  506   1HH2  ARG  53          HH21      ARG  53 -10.705  -1.143  -3.648
  507   2HH2  ARG  53          HH22      ARG  53  -9.835   0.191  -2.966
  508    H    MET  54           HN       MET  54  -6.083  -3.530  -7.456
  509    HA   MET  54           HA       MET  54  -8.129  -1.631  -7.538
  510   1HB   MET  54           HB2      MET  54  -6.226  -2.675  -9.331
  511   2HB   MET  54           HB1      MET  54  -7.784  -2.885 -10.116
  512   1HG   MET  54           HG2      MET  54  -8.243  -0.474  -9.673
  513   2HG   MET  54           HG1      MET  54  -6.583  -0.322  -9.105
  514   1HE   MET  54           HE1      MET  54  -4.311  -0.419 -11.506
  515   2HE   MET  54           HE2      MET  54  -5.014   0.439 -10.136
  516   3HE   MET  54           HE3      MET  54  -5.101   1.139 -11.753
  517    H    ARG  55           HN       ARG  55  -9.801  -2.794  -6.349
  518    HA   ARG  55           HA       ARG  55 -11.097  -5.082  -7.313
  519   1HB   ARG  55           HB2      ARG  55 -11.944  -2.839  -5.503
  520   2HB   ARG  55           HB1      ARG  55 -13.058  -4.128  -5.933
  521   1HG   ARG  55           HG2      ARG  55 -10.367  -4.806  -4.839
  522   2HG   ARG  55           HG1      ARG  55 -11.655  -4.284  -3.752
  523   1HD   ARG  55           HD2      ARG  55 -11.608  -6.677  -5.573
  524   2HD   ARG  55           HD1      ARG  55 -11.749  -6.648  -3.816
  525    HE   ARG  55           HE       ARG  55 -13.865  -6.390  -5.710
  526   1HH1  ARG  55          HH11      ARG  55 -12.825  -5.409  -2.527
  527   2HH1  ARG  55          HH12      ARG  55 -14.434  -5.166  -1.939
  528   1HH2  ARG  55          HH21      ARG  55 -15.983  -6.070  -4.939
  529   2HH2  ARG  55          HH22      ARG  55 -16.228  -5.541  -3.308
  530    H    SER  56           HN       SER  56 -11.606  -1.649  -7.957
  531    HA   SER  56           HA       SER  56 -13.410  -2.415 -10.154
  532   1HB   SER  56           HB2      SER  56 -14.062  -0.847  -7.847
  533   2HB   SER  56           HB1      SER  56 -14.147   0.183  -9.276
  534    HG   SER  56           HG       SER  56 -15.418  -1.641 -10.198
  535    H    LYS  57           HN       LYS  57 -11.571   0.353  -8.852
  536    HA   LYS  57           HA       LYS  57 -11.338   1.804 -11.200
  537   1HB   LYS  57           HB2      LYS  57  -9.920   1.699  -8.628
  538   2HB   LYS  57           HB1      LYS  57  -8.955   2.327  -9.957
  539   1HG   LYS  57           HG2      LYS  57 -10.103   4.098  -8.718
  540   2HG   LYS  57           HG1      LYS  57 -10.615   4.028 -10.405
  541   1HD   LYS  57           HD2      LYS  57 -12.385   2.341  -9.110
  542   2HD   LYS  57           HD1      LYS  57 -12.162   3.668  -7.968
  543   1HE   LYS  57           HE2      LYS  57 -13.770   4.664  -9.187
  544   2HE   LYS  57           HE1      LYS  57 -12.441   5.040 -10.283
  545   1HZ   LYS  57           HZ1      LYS  57 -13.929   2.513 -10.572
  546   2HZ   LYS  57           HZ2      LYS  57 -13.055   3.375 -11.735
  547   3HZ   LYS  57           HZ3      LYS  57 -14.559   3.946 -11.214
  Start of MODEL   16
    1   1H    LYS  -3           HT1      LYS  -3  13.315  20.781   0.935
    2   2H    LYS  -3           HT2      LYS  -3  13.692  20.055  -0.573
    3   3H    LYS  -3           HT3      LYS  -3  14.943  20.414   0.545
    4    HA   LYS  -3           HA       LYS  -3  14.201  18.049   0.363
    5   1HB   LYS  -3           HB2      LYS  -3  14.424  17.785   2.823
    6   2HB   LYS  -3           HB1      LYS  -3  15.623  18.873   2.141
    7   1HG   LYS  -3           HG2      LYS  -3  14.615  20.759   3.057
    8   2HG   LYS  -3           HG1      LYS  -3  13.079  19.928   3.313
    9   1HD   LYS  -3           HD2      LYS  -3  13.848  18.813   5.192
   10   2HD   LYS  -3           HD1      LYS  -3  15.541  18.983   4.725
   11   1HE   LYS  -3           HE2      LYS  -3  15.680  20.744   6.073
   12   2HE   LYS  -3           HE1      LYS  -3  14.556  21.593   5.012
   13   1HZ   LYS  -3           HZ1      LYS  -3  13.884  19.976   7.408
   14   2HZ   LYS  -3           HZ2      LYS  -3  12.729  20.570   6.323
   15   3HZ   LYS  -3           HZ3      LYS  -3  13.687  21.645   7.209
   16    H    LYS  -2           HN       LYS  -2  11.803  19.340  -0.426
   17    HA   LYS  -2           HA       LYS  -2   9.840  18.274   1.488
   18   1HB   LYS  -2           HB2      LYS  -2   9.475  20.284  -0.740
   19   2HB   LYS  -2           HB1      LYS  -2   8.194  19.704   0.316
   20   1HG   LYS  -2           HG2      LYS  -2  10.652  21.101   1.333
   21   2HG   LYS  -2           HG1      LYS  -2   9.167  21.946   0.895
   22   1HD   LYS  -2           HD2      LYS  -2   8.858  19.640   2.712
   23   2HD   LYS  -2           HD1      LYS  -2   9.700  21.042   3.377
   24   1HE   LYS  -2           HE2      LYS  -2   7.854  22.440   3.079
   25   2HE   LYS  -2           HE1      LYS  -2   7.099  21.348   1.919
   26   1HZ   LYS  -2           HZ1      LYS  -2   6.205  20.096   3.544
   27   2HZ   LYS  -2           HZ2      LYS  -2   6.361  21.510   4.458
   28   3HZ   LYS  -2           HZ3      LYS  -2   7.520  20.285   4.591
   29    H    GLU  -1           HN       GLU  -1  11.038  18.040  -1.772
   30    HA   GLU  -1           HA       GLU  -1   9.337  15.691  -2.181
   31   1HB   GLU  -1           HB2      GLU  -1   8.654  18.018  -3.371
   32   2HB   GLU  -1           HB1      GLU  -1   9.769  17.383  -4.572
   33   1HG   GLU  -1           HG2      GLU  -1   7.860  16.461  -5.353
   34   2HG   GLU  -1           HG1      GLU  -1   8.314  15.196  -4.211
   35    H    LYS   0           HN       LYS   0  10.198  14.118  -3.568
   36    HA   LYS   0           HA       LYS   0  13.084  14.150  -3.727
   37   1HB   LYS   0           HB2      LYS   0  11.307  12.167  -3.252
   38   2HB   LYS   0           HB1      LYS   0  11.573  11.932  -4.975
   39   1HG   LYS   0           HG2      LYS   0  13.056  10.550  -3.600
   40   2HG   LYS   0           HG1      LYS   0  13.949  11.687  -4.613
   41   1HD   LYS   0           HD2      LYS   0  14.769  12.810  -2.841
   42   2HD   LYS   0           HD1      LYS   0  13.254  12.700  -1.945
   43   1HE   LYS   0           HE2      LYS   0  13.900  10.188  -1.703
   44   2HE   LYS   0           HE1      LYS   0  15.524  10.759  -2.083
   45   1HZ   LYS   0           HZ1      LYS   0  15.674  11.919  -0.139
   46   2HZ   LYS   0           HZ2      LYS   0  14.689  10.643   0.372
   47   3HZ   LYS   0           HZ3      LYS   0  14.003  12.144   0.007
   48    H    SER   1           HN       SER   1  14.120  13.296  -5.789
   49    HA   SER   1           HA       SER   1  13.564  15.101  -7.892
   50   1HB   SER   1           HB2      SER   1  15.135  12.759  -8.678
   51   2HB   SER   1           HB1      SER   1  15.582  14.465  -8.671
   52    HG   SER   1           HG       SER   1  16.509  14.207  -6.799
   53    HA   PRO   2           HA       PRO   2  11.819  11.252 -10.236
   54   1HB   PRO   2           HB2      PRO   2  11.279   9.236  -8.188
   55   2HB   PRO   2           HB1      PRO   2  12.214   9.089  -9.678
   56   1HG   PRO   2           HG2      PRO   2  13.364   9.045  -7.230
   57   2HG   PRO   2           HG1      PRO   2  14.182   9.703  -8.661
   58   1HD   PRO   2           HD2      PRO   2  12.771  11.153  -6.447
   59   2HD   PRO   2           HD1      PRO   2  14.309  11.542  -7.249
   60    H    LYS   3           HN       LYS   3  10.383  13.285  -9.402
   61    HA   LYS   3           HA       LYS   3   8.247  14.009  -9.117
   62   1HB   LYS   3           HB2      LYS   3   7.432  11.103  -9.034
   63   2HB   LYS   3           HB1      LYS   3   6.414  12.484  -9.413
   64   1HG   LYS   3           HG2      LYS   3   8.279  12.774 -11.316
   65   2HG   LYS   3           HG1      LYS   3   8.337  11.023 -11.102
   66   1HD   LYS   3           HD2      LYS   3   5.913  10.909 -11.458
   67   2HD   LYS   3           HD1      LYS   3   5.868  12.658 -11.689
   68   1HE   LYS   3           HE2      LYS   3   6.743  12.540 -13.771
   69   2HE   LYS   3           HE1      LYS   3   7.788  11.178 -13.369
   70   1HZ   LYS   3           HZ1      LYS   3   6.072   9.665 -13.710
   71   2HZ   LYS   3           HZ2      LYS   3   5.876  10.770 -14.975
   72   3HZ   LYS   3           HZ3      LYS   3   4.864  10.847 -13.622
   73    H    GLY   4           HN       GLY   4   8.197  10.966  -7.250
   74   1HA   GLY   4           HA2      GLY   4   8.722  11.730  -4.738
   75   2HA   GLY   4           HA1      GLY   4   7.115  12.401  -4.967
   76    H    LYS   5           HN       LYS   5   8.985   9.523  -4.517
   77    HA   LYS   5           HA       LYS   5   6.659   8.095  -3.615
   78   1HB   LYS   5           HB2      LYS   5   7.278   7.838  -6.312
   79   2HB   LYS   5           HB1      LYS   5   8.001   6.412  -5.580
   80   1HG   LYS   5           HG2      LYS   5   5.683   6.174  -4.417
   81   2HG   LYS   5           HG1      LYS   5   5.135   7.220  -5.728
   82   1HD   LYS   5           HD2      LYS   5   4.818   4.938  -6.399
   83   2HD   LYS   5           HD1      LYS   5   6.148   5.615  -7.342
   84   1HE   LYS   5           HE2      LYS   5   7.763   4.442  -6.115
   85   2HE   LYS   5           HE1      LYS   5   6.638   4.091  -4.804
   86   1HZ   LYS   5           HZ1      LYS   5   6.420   2.124  -5.801
   87   2HZ   LYS   5           HZ2      LYS   5   7.102   2.659  -7.254
   88   3HZ   LYS   5           HZ3      LYS   5   5.461   2.926  -6.942
   89    H    SER   6           HN       SER   6  10.033   7.718  -4.676
   90    HA   SER   6           HA       SER   6  11.839   6.744  -3.699
   91   1HB   SER   6           HB2      SER   6  10.853   8.279  -1.782
   92   2HB   SER   6           HB1      SER   6  10.508   6.726  -1.022
   93    HG   SER   6           HG       SER   6  12.572   7.522  -0.443
   94    H    SER   7           HN       SER   7  12.170   4.691  -4.235
   95    HA   SER   7           HA       SER   7  10.277   2.619  -3.776
   96   1HB   SER   7           HB2      SER   7  11.939   2.669  -5.662
   97   2HB   SER   7           HB1      SER   7  13.201   2.300  -4.487
   98    HG   SER   7           HG       SER   7  12.502   0.301  -4.341
   99    H    ILE   8           HN       ILE   8  10.131   1.135  -2.178
  100    HA   ILE   8           HA       ILE   8  11.914   1.500   0.113
  101    HB   ILE   8           HB       ILE   8   9.336   1.571   0.281
  102   1HG1  ILE   8          HG12      ILE   8  10.662  -0.325   2.205
  103   2HG1  ILE   8          HG11      ILE   8  11.101   1.379   2.144
  104   1HG2  ILE   8          HG21      ILE   8   9.091  -0.604  -0.995
  105   2HG2  ILE   8          HG22      ILE   8   8.153  -0.457   0.491
  106   3HG2  ILE   8          HG23      ILE   8   9.633  -1.414   0.476
  107   1HD1  ILE   8          HD11      ILE   8   9.068   2.066   2.970
  108   2HD1  ILE   8          HD12      ILE   8   9.318   0.548   3.834
  109   3HD1  ILE   8          HD13      ILE   8   8.240   0.602   2.440
  110    H    SER   9           HN       SER   9  12.443  -0.477   1.384
  111    HA   SER   9           HA       SER   9  13.987  -2.269  -0.076
  112   1HB   SER   9           HB2      SER   9  13.084  -3.442   2.415
  113   2HB   SER   9           HB1      SER   9  14.681  -2.826   1.992
  114    HG   SER   9           HG       SER   9  14.095  -1.470   3.546
  115    HA   PRO  10           HA       PRO  10  11.566  -5.802  -1.336
  116   1HB   PRO  10           HB2      PRO  10  11.763  -7.721   0.688
  117   2HB   PRO  10           HB1      PRO  10  12.869  -7.551  -0.679
  118   1HG   PRO  10           HG2      PRO  10  13.132  -6.528   2.117
  119   2HG   PRO  10           HG1      PRO  10  14.374  -7.227   1.055
  120   1HD   PRO  10           HD2      PRO  10  14.260  -4.607   1.437
  121   2HD   PRO  10           HD1      PRO  10  14.588  -5.251  -0.184
  122    H    GLN  11           HN       GLN  11  11.166  -4.644   1.904
  123    HA   GLN  11           HA       GLN  11   8.799  -5.774   2.740
  124   1HB   GLN  11           HB2      GLN  11   9.798  -2.946   3.099
  125   2HB   GLN  11           HB1      GLN  11   8.466  -3.651   4.009
  126   1HG   GLN  11           HG2      GLN  11   9.861  -4.619   5.434
  127   2HG   GLN  11           HG1      GLN  11  10.793  -5.342   4.126
  128   1HE2  GLN  11          HE21      GLN  11  10.291  -1.906   4.696
  129   2HE2  GLN  11          HE22      GLN  11  11.949  -1.533   5.036
  130    H    ALA  12           HN       ALA  12   9.291  -3.542   0.122
  131    HA   ALA  12           HA       ALA  12   6.866  -2.260  -0.074
  132   1HB   ALA  12           HB1      ALA  12   7.772  -3.385  -2.628
  133   2HB   ALA  12           HB2      ALA  12   9.026  -2.541  -1.720
  134   3HB   ALA  12           HB3      ALA  12   7.533  -1.704  -2.149
  135    H    ARG  13           HN       ARG  13   7.679  -5.424  -1.481
  136    HA   ARG  13           HA       ARG  13   4.912  -6.053  -1.998
  137   1HB   ARG  13           HB2      ARG  13   5.736  -8.081  -2.977
  138   2HB   ARG  13           HB1      ARG  13   6.803  -6.775  -3.479
  139   1HG   ARG  13           HG2      ARG  13   8.123  -7.577  -1.304
  140   2HG   ARG  13           HG1      ARG  13   7.334  -9.096  -1.726
  141   1HD   ARG  13           HD2      ARG  13   8.506  -7.728  -4.020
  142   2HD   ARG  13           HD1      ARG  13   9.692  -8.140  -2.780
  143    HE   ARG  13           HE       ARG  13   8.088 -10.383  -3.231
  144   1HH1  ARG  13          HH11      ARG  13  10.457  -8.453  -4.918
  145   2HH1  ARG  13          HH12      ARG  13  11.007  -9.765  -5.905
  146   1HH2  ARG  13          HH21      ARG  13   8.811 -12.111  -4.529
  147   2HH2  ARG  13          HH22      ARG  13  10.074 -11.842  -5.684
  148    H    ALA  14           HN       ALA  14   7.375  -6.875   0.367
  149    HA   ALA  14           HA       ALA  14   6.031  -9.046   1.577
  150   1HB   ALA  14           HB1      ALA  14   8.507  -8.023   1.802
  151   2HB   ALA  14           HB2      ALA  14   7.800  -9.137   2.972
  152   3HB   ALA  14           HB3      ALA  14   7.782  -7.403   3.284
  153    H    PHE  15           HN       PHE  15   6.205  -5.608   2.445
  154    HA   PHE  15           HA       PHE  15   4.618  -5.737   4.729
  155   1HB   PHE  15           HB2      PHE  15   4.773  -3.453   4.793
  156   2HB   PHE  15           HB1      PHE  15   6.076  -3.780   3.672
  157    HD1  PHE  15           HD1      PHE  15   6.193  -2.462   1.797
  158    HD2  PHE  15           HD2      PHE  15   2.388  -3.142   3.578
  159    HE1  PHE  15           HE1      PHE  15   5.157  -0.956   0.154
  160    HE2  PHE  15           HE2      PHE  15   1.347  -1.639   1.935
  161    HZ   PHE  15           HZ       PHE  15   2.732  -0.544   0.220
  162    H    LEU  16           HN       LEU  16   3.761  -5.163   1.338
  163    HA   LEU  16           HA       LEU  16   0.961  -4.966   1.949
  164   1HB   LEU  16           HB2      LEU  16   1.790  -3.823  -0.012
  165   2HB   LEU  16           HB1      LEU  16   2.403  -5.329  -0.676
  166    HG   LEU  16           HG       LEU  16  -0.023  -6.136  -0.667
  167   1HD1  LEU  16          HD11      LEU  16  -0.887  -4.383   0.819
  168   2HD1  LEU  16          HD12      LEU  16  -1.728  -4.411  -0.731
  169   3HD1  LEU  16          HD13      LEU  16  -0.515  -3.172  -0.408
  170   1HD2  LEU  16          HD21      LEU  16   0.176  -3.860  -2.521
  171   2HD2  LEU  16          HD22      LEU  16  -0.175  -5.557  -2.845
  172   3HD2  LEU  16          HD23      LEU  16   1.489  -5.033  -2.575
  173    H    GLU  17           HN       GLU  17   3.212  -7.482   1.063
  174    HA   GLU  17           HA       GLU  17   1.507  -9.476   0.166
  175   1HB   GLU  17           HB2      GLU  17   4.175  -9.350   1.340
  176   2HB   GLU  17           HB1      GLU  17   3.329 -10.830   1.768
  177   1HG   GLU  17           HG2      GLU  17   2.837 -11.056  -0.728
  178   2HG   GLU  17           HG1      GLU  17   4.076  -9.824  -0.951
  179    H    GLN  18           HN       GLN  18   2.321  -8.535   3.453
  180    HA   GLN  18           HA       GLN  18   0.546 -10.503   4.592
  181   1HB   GLN  18           HB2      GLN  18   1.107  -9.016   6.726
  182   2HB   GLN  18           HB1      GLN  18   2.229 -10.211   6.096
  183   1HG   GLN  18           HG2      GLN  18   3.749  -8.676   5.547
  184   2HG   GLN  18           HG1      GLN  18   2.544  -7.564   4.908
  185   1HE2  GLN  18          HE21      GLN  18   0.968  -7.044   7.018
  186   2HE2  GLN  18          HE22      GLN  18   1.872  -6.276   8.283
  187    H    VAL  19           HN       VAL  19   0.426  -7.140   3.679
  188    HA   VAL  19           HA       VAL  19  -1.862  -6.419   5.212
  189    HB   VAL  19           HB       VAL  19  -0.856  -5.243   2.611
  190   1HG1  VAL  19          HG11      VAL  19  -3.001  -4.407   2.702
  191   2HG1  VAL  19          HG12      VAL  19  -2.121  -3.194   3.630
  192   3HG1  VAL  19          HG13      VAL  19  -3.053  -4.436   4.465
  193   1HG2  VAL  19          HG21      VAL  19   0.658  -4.095   3.777
  194   2HG2  VAL  19          HG22      VAL  19   0.342  -5.222   5.096
  195   3HG2  VAL  19          HG23      VAL  19  -0.507  -3.678   5.033
  196    H    PHE  20           HN       PHE  20  -1.622  -7.010   1.696
  197    HA   PHE  20           HA       PHE  20  -4.383  -7.235   1.251
  198   1HB   PHE  20           HB2      PHE  20  -2.711  -6.853  -0.534
  199   2HB   PHE  20           HB1      PHE  20  -2.128  -8.496  -0.319
  200    HD1  PHE  20           HD1      PHE  20  -4.332  -6.423  -2.118
  201    HD2  PHE  20           HD2      PHE  20  -3.898 -10.379  -0.611
  202    HE1  PHE  20           HE1      PHE  20  -5.981  -7.226  -3.758
  203    HE2  PHE  20           HE2      PHE  20  -5.548 -11.188  -2.246
  204    HZ   PHE  20           HZ       PHE  20  -6.590  -9.611  -3.823
  205    H    ARG  21           HN       ARG  21  -2.048  -9.500   2.442
  206    HA   ARG  21           HA       ARG  21  -3.623 -11.851   1.962
  207   1HB   ARG  21           HB2      ARG  21  -1.346 -12.290   2.051
  208   2HB   ARG  21           HB1      ARG  21  -1.093 -11.190   3.395
  209   1HG   ARG  21           HG2      ARG  21  -2.727 -13.225   4.400
  210   2HG   ARG  21           HG1      ARG  21  -1.500 -14.024   3.414
  211   1HD   ARG  21           HD2      ARG  21   0.237 -13.256   4.703
  212   2HD   ARG  21           HD1      ARG  21  -0.666 -11.848   5.264
  213    HE   ARG  21           HE       ARG  21  -2.001 -13.903   6.396
  214   1HH1  ARG  21          HH11      ARG  21   1.381 -13.044   6.315
  215   2HH1  ARG  21          HH12      ARG  21   1.726 -13.753   7.856
  216   1HH2  ARG  21          HH21      ARG  21  -1.549 -14.835   8.424
  217   2HH2  ARG  21          HH22      ARG  21   0.064 -14.771   9.053
  218    H    ARG  22           HN       ARG  22  -2.955  -9.750   4.735
  219    HA   ARG  22           HA       ARG  22  -4.326 -11.221   6.687
  220   1HB   ARG  22           HB2      ARG  22  -3.571  -8.342   6.373
  221   2HB   ARG  22           HB1      ARG  22  -4.640  -8.809   7.686
  222   1HG   ARG  22           HG2      ARG  22  -3.006 -10.142   8.700
  223   2HG   ARG  22           HG1      ARG  22  -2.007 -10.172   7.246
  224   1HD   ARG  22           HD2      ARG  22  -1.238  -8.671   9.156
  225   2HD   ARG  22           HD1      ARG  22  -1.306  -7.955   7.547
  226    HE   ARG  22           HE       ARG  22  -2.869  -6.494   8.329
  227   1HH1  ARG  22          HH11      ARG  22  -2.788  -9.252  10.465
  228   2HH1  ARG  22          HH12      ARG  22  -3.899  -8.563  11.600
  229   1HH2  ARG  22          HH21      ARG  22  -4.330  -5.586   9.818
  230   2HH2  ARG  22          HH22      ARG  22  -4.775  -6.481  11.232
  231    H    LYS  23           HN       LYS  23  -5.405  -8.786   4.394
  232    HA   LYS  23           HA       LYS  23  -8.074  -9.788   4.418
  233   1HB   LYS  23           HB2      LYS  23  -9.249  -7.954   5.349
  234   2HB   LYS  23           HB1      LYS  23  -7.983  -8.357   6.500
  235   1HG   LYS  23           HG2      LYS  23  -6.624  -6.505   5.603
  236   2HG   LYS  23           HG1      LYS  23  -7.947  -6.093   4.520
  237   1HD   LYS  23           HD2      LYS  23  -7.615  -4.891   6.865
  238   2HD   LYS  23           HD1      LYS  23  -9.210  -5.186   6.181
  239   1HE   LYS  23           HE2      LYS  23  -9.131  -5.801   8.542
  240   2HE   LYS  23           HE1      LYS  23  -9.426  -7.210   7.523
  241   1HZ   LYS  23           HZ1      LYS  23  -6.788  -7.301   7.686
  242   2HZ   LYS  23           HZ2      LYS  23  -7.798  -8.063   8.808
  243   3HZ   LYS  23           HZ3      LYS  23  -7.116  -6.558   9.171
  244    H    GLN  24           HN       GLN  24  -9.344  -7.430   3.428
  245    HA   GLN  24           HA       GLN  24  -7.733  -6.706   1.087
  246   1HB   GLN  24           HB2      GLN  24 -10.582  -7.635   0.803
  247   2HB   GLN  24           HB1      GLN  24  -9.400  -7.365  -0.467
  248   1HG   GLN  24           HG2      GLN  24  -9.199  -9.513   1.627
  249   2HG   GLN  24           HG1      GLN  24  -9.855  -9.754   0.007
  250   1HE2  GLN  24          HE21      GLN  24  -7.717 -11.206   1.002
  251   2HE2  GLN  24          HE22      GLN  24  -6.291 -10.792   0.108
  252    H    SER  25           HN       SER  25 -10.811  -6.298   2.762
  253    HA   SER  25           HA       SER  25 -11.371  -3.771   1.569
  254   1HB   SER  25           HB2      SER  25 -13.099  -5.368   2.378
  255   2HB   SER  25           HB1      SER  25 -12.616  -4.993   4.033
  256    HG   SER  25           HG       SER  25 -13.689  -3.187   3.919
  257    H    LEU  26           HN       LEU  26  -9.197  -2.858   2.147
  258    HA   LEU  26           HA       LEU  26  -8.750  -2.076   4.880
  259   1HB   LEU  26           HB2      LEU  26  -7.452  -1.256   2.282
  260   2HB   LEU  26           HB1      LEU  26  -6.970  -0.604   3.832
  261    HG   LEU  26           HG       LEU  26  -5.844  -2.774   2.598
  262   1HD1  LEU  26          HD11      LEU  26  -4.382  -2.485   4.239
  263   2HD1  LEU  26          HD12      LEU  26  -5.554  -2.977   5.462
  264   3HD1  LEU  26          HD13      LEU  26  -5.490  -1.298   4.927
  265   1HD2  LEU  26          HD21      LEU  26  -7.747  -3.808   4.695
  266   2HD2  LEU  26          HD22      LEU  26  -6.404  -4.722   4.007
  267   3HD2  LEU  26          HD23      LEU  26  -7.742  -4.210   2.978
  268    H    ASN  27           HN       ASN  27 -10.082  -0.614   5.798
  269    HA   ASN  27           HA       ASN  27 -11.182   1.532   4.138
  270   1HB   ASN  27           HB2      ASN  27 -12.095   1.719   6.847
  271   2HB   ASN  27           HB1      ASN  27 -13.019   1.337   5.400
  272   1HD2  ASN  27          HD21      ASN  27 -11.385   0.084   8.178
  273   2HD2  ASN  27          HD22      ASN  27 -11.966  -1.544   8.045
  274    H    SER  28           HN       SER  28 -11.496   3.648   5.656
  275    HA   SER  28           HA       SER  28  -9.044   4.907   5.751
  276   1HB   SER  28           HB2      SER  28 -10.937   6.314   5.793
  277   2HB   SER  28           HB1      SER  28 -11.635   5.475   7.182
  278    HG   SER  28           HG       SER  28 -10.433   7.634   7.412
  279    H    LYS  29           HN       LYS  29 -10.561   2.860   8.089
  280    HA   LYS  29           HA       LYS  29  -8.844   3.536  10.280
  281   1HB   LYS  29           HB2      LYS  29 -10.601   1.118   9.874
  282   2HB   LYS  29           HB1      LYS  29  -9.948   1.686  11.399
  283   1HG   LYS  29           HG2      LYS  29 -12.003   2.590  11.590
  284   2HG   LYS  29           HG1      LYS  29 -11.263   3.889  10.656
  285   1HD   LYS  29           HD2      LYS  29 -12.172   1.939   8.818
  286   2HD   LYS  29           HD1      LYS  29 -13.476   2.215   9.973
  287   1HE   LYS  29           HE2      LYS  29 -12.077   4.600   8.906
  288   2HE   LYS  29           HE1      LYS  29 -13.133   3.720   7.797
  289   1HZ   LYS  29           HZ1      LYS  29 -14.129   5.601   9.195
  290   2HZ   LYS  29           HZ2      LYS  29 -14.078   4.504  10.481
  291   3HZ   LYS  29           HZ3      LYS  29 -14.985   4.144   9.100
  292    H    GLU  30           HN       GLU  30  -9.161   0.739   8.117
  293    HA   GLU  30           HA       GLU  30  -6.870  -0.594   9.131
  294   1HB   GLU  30           HB2      GLU  30  -8.134  -1.000   6.423
  295   2HB   GLU  30           HB1      GLU  30  -7.198  -2.162   7.354
  296   1HG   GLU  30           HG2      GLU  30  -9.523  -1.199   8.800
  297   2HG   GLU  30           HG1      GLU  30  -9.950  -1.943   7.261
  298    H    LYS  31           HN       LYS  31  -7.519   1.551   6.430
  299    HA   LYS  31           HA       LYS  31  -5.066   1.297   5.111
  300   1HB   LYS  31           HB2      LYS  31  -5.816   3.003   3.791
  301   2HB   LYS  31           HB1      LYS  31  -7.330   2.558   4.545
  302   1HG   LYS  31           HG2      LYS  31  -7.134   4.365   6.126
  303   2HG   LYS  31           HG1      LYS  31  -5.534   4.772   5.491
  304   1HD   LYS  31           HD2      LYS  31  -6.449   5.441   3.401
  305   2HD   LYS  31           HD1      LYS  31  -8.038   4.797   3.819
  306   1HE   LYS  31           HE2      LYS  31  -8.448   6.968   4.314
  307   2HE   LYS  31           HE1      LYS  31  -7.718   6.505   5.850
  308   1HZ   LYS  31           HZ1      LYS  31  -6.529   8.037   3.629
  309   2HZ   LYS  31           HZ2      LYS  31  -5.540   7.222   4.734
  310   3HZ   LYS  31           HZ3      LYS  31  -6.597   8.427   5.275
  311    H    GLU  32           HN       GLU  32  -6.066   3.195   7.879
  312    HA   GLU  32           HA       GLU  32  -3.490   4.543   8.023
  313   1HB   GLU  32           HB2      GLU  32  -4.447   5.903   9.715
  314   2HB   GLU  32           HB1      GLU  32  -5.703   5.686   8.503
  315   1HG   GLU  32           HG2      GLU  32  -6.822   4.064   9.866
  316   2HG   GLU  32           HG1      GLU  32  -5.511   4.085  11.042
  317    H    GLU  33           HN       GLU  33  -5.357   2.090   9.703
  318    HA   GLU  33           HA       GLU  33  -3.538   1.762  11.877
  319   1HB   GLU  33           HB2      GLU  33  -5.787   0.065  10.797
  320   2HB   GLU  33           HB1      GLU  33  -4.869  -0.362  12.227
  321   1HG   GLU  33           HG2      GLU  33  -5.995   2.350  12.204
  322   2HG   GLU  33           HG1      GLU  33  -7.163   1.030  12.260
  323    H    VAL  34           HN       VAL  34  -4.033   0.226   8.767
  324    HA   VAL  34           HA       VAL  34  -2.101  -1.861   9.201
  325    HB   VAL  34           HB       VAL  34  -3.485  -0.926   6.676
  326   1HG1  VAL  34          HG11      VAL  34  -1.199  -2.235   6.550
  327   2HG1  VAL  34          HG12      VAL  34  -2.540  -2.628   5.479
  328   3HG1  VAL  34          HG13      VAL  34  -2.234  -3.616   6.906
  329   1HG2  VAL  34          HG21      VAL  34  -4.496  -2.308   8.860
  330   2HG2  VAL  34          HG22      VAL  34  -4.165  -3.561   7.664
  331   3HG2  VAL  34          HG23      VAL  34  -5.211  -2.203   7.253
  332    H    ALA  35           HN       ALA  35  -2.216   1.243   7.530
  333    HA   ALA  35           HA       ALA  35   0.270   1.094   6.252
  334   1HB   ALA  35           HB1      ALA  35   0.054   3.729   6.660
  335   2HB   ALA  35           HB2      ALA  35  -1.608   3.238   6.967
  336   3HB   ALA  35           HB3      ALA  35  -0.847   2.857   5.426
  337    H    LYS  36           HN       LYS  36  -0.591   1.909   9.539
  338    HA   LYS  36           HA       LYS  36   2.075   2.858  10.160
  339   1HB   LYS  36           HB2      LYS  36   1.202   3.346  12.354
  340   2HB   LYS  36           HB1      LYS  36   0.078   3.927  11.134
  341   1HG   LYS  36           HG2      LYS  36  -1.325   1.955  11.490
  342   2HG   LYS  36           HG1      LYS  36  -0.202   1.389  12.727
  343   1HD   LYS  36           HD2      LYS  36  -1.988   2.453  13.871
  344   2HD   LYS  36           HD1      LYS  36  -0.620   3.566  13.934
  345   1HE   LYS  36           HE2      LYS  36  -1.623   4.650  11.857
  346   2HE   LYS  36           HE1      LYS  36  -3.076   3.718  12.209
  347   1HZ   LYS  36           HZ1      LYS  36  -2.887   6.091  13.120
  348   2HZ   LYS  36           HZ2      LYS  36  -1.851   5.424  14.278
  349   3HZ   LYS  36           HZ3      LYS  36  -3.448   4.879  14.160
  350    H    LYS  37           HN       LYS  37   0.370  -0.138  10.295
  351    HA   LYS  37           HA       LYS  37   2.330  -1.215  12.197
  352   1HB   LYS  37           HB2      LYS  37   0.849  -3.044  12.577
  353   2HB   LYS  37           HB1      LYS  37  -0.112  -1.574  12.634
  354   1HG   LYS  37           HG2      LYS  37  -1.424  -2.266  10.986
  355   2HG   LYS  37           HG1      LYS  37  -0.046  -2.680   9.965
  356   1HD   LYS  37           HD2      LYS  37  -1.184  -4.401  12.168
  357   2HD   LYS  37           HD1      LYS  37  -1.461  -4.631  10.441
  358   1HE   LYS  37           HE2      LYS  37   0.469  -5.717  10.202
  359   2HE   LYS  37           HE1      LYS  37   1.359  -4.437  11.023
  360   1HZ   LYS  37           HZ1      LYS  37   1.702  -6.147  12.458
  361   2HZ   LYS  37           HZ2      LYS  37   0.233  -6.908  12.108
  362   3HZ   LYS  37           HZ3      LYS  37   0.262  -5.550  13.117
  363    H    CYS  38           HN       CYS  38   1.348  -1.366   8.879
  364    HA   CYS  38           HA       CYS  38   3.050  -3.698   8.409
  365   1HB   CYS  38           HB2      CYS  38   1.124  -2.251   6.582
  366   2HB   CYS  38           HB1      CYS  38   2.074  -3.662   6.124
  367    HG   CYS  38           HG       CYS  38  -0.387  -4.315   6.896
  368    H    GLY  39           HN       GLY  39   2.897  -0.255   7.847
  369   1HA   GLY  39           HA2      GLY  39   5.095   0.821   7.618
  370   2HA   GLY  39           HA1      GLY  39   5.525  -0.462   6.501
  371    H    ILE  40           HN       ILE  40   2.341   0.861   6.270
  372    HA   ILE  40           HA       ILE  40   3.156   2.234   3.801
  373    HB   ILE  40           HB       ILE  40   0.280   1.939   4.127
  374   1HG1  ILE  40          HG12      ILE  40   1.888  -0.614   3.908
  375   2HG1  ILE  40          HG11      ILE  40   0.973  -0.132   5.328
  376   1HG2  ILE  40          HG21      ILE  40   0.346   1.709   1.892
  377   2HG2  ILE  40          HG22      ILE  40   1.685   0.561   1.943
  378   3HG2  ILE  40          HG23      ILE  40   2.001   2.291   2.080
  379   1HD1  ILE  40          HD11      ILE  40  -0.004  -1.758   3.474
  380   2HD1  ILE  40          HD12      ILE  40  -0.487  -0.217   2.764
  381   3HD1  ILE  40          HD13      ILE  40  -1.018  -0.643   4.391
  382    H    THR  41           HN       THR  41   0.830   3.826   3.500
  383    HA   THR  41           HA       THR  41   0.654   5.459   5.901
  384    HB   THR  41           HB       THR  41   1.170   7.170   3.604
  385    HG1  THR  41           HG1      THR  41   3.284   5.499   4.485
  386   1HG2  THR  41          HG21      THR  41   3.150   7.591   5.486
  387   2HG2  THR  41          HG22      THR  41   1.746   7.093   6.432
  388   3HG2  THR  41          HG23      THR  41   1.628   8.469   5.335
  389    HA   PRO  42           HA       PRO  42  -3.521   6.258   4.793
  390   1HB   PRO  42           HB2      PRO  42  -2.894   9.168   4.986
  391   2HB   PRO  42           HB1      PRO  42  -4.180   8.240   5.766
  392   1HG   PRO  42           HG2      PRO  42  -2.045   9.008   7.150
  393   2HG   PRO  42           HG1      PRO  42  -2.766   7.408   7.408
  394   1HD   PRO  42           HD2      PRO  42  -0.274   8.152   5.945
  395   2HD   PRO  42           HD1      PRO  42  -0.618   6.718   6.933
  396    H    LEU  43           HN       LEU  43  -0.965   7.924   3.107
  397    HA   LEU  43           HA       LEU  43  -2.702   8.662   0.891
  398   1HB   LEU  43           HB2      LEU  43  -0.599   9.939   1.921
  399   2HB   LEU  43           HB1      LEU  43   0.250   8.963   0.737
  400    HG   LEU  43           HG       LEU  43  -1.808  10.013  -0.749
  401   1HD1  LEU  43          HD11      LEU  43  -2.011  11.482   1.483
  402   2HD1  LEU  43          HD12      LEU  43  -2.371  12.106  -0.127
  403   3HD1  LEU  43          HD13      LEU  43  -0.802  12.427   0.613
  404   1HD2  LEU  43          HD21      LEU  43   0.025  11.664  -1.487
  405   2HD2  LEU  43          HD22      LEU  43   0.325   9.936  -1.674
  406   3HD2  LEU  43          HD23      LEU  43   1.048  10.815  -0.327
  407    H    GLN  44           HN       GLN  44  -0.394   6.232   1.783
  408    HA   GLN  44           HA       GLN  44  -0.028   5.258  -0.908
  409   1HB   GLN  44           HB2      GLN  44   0.661   3.660   1.522
  410   2HB   GLN  44           HB1      GLN  44   1.477   3.716  -0.031
  411   1HG   GLN  44           HG2      GLN  44   1.482   5.919   2.017
  412   2HG   GLN  44           HG1      GLN  44   2.783   4.759   1.760
  413   1HE2  GLN  44          HE21      GLN  44   1.844   7.810   1.140
  414   2HE2  GLN  44          HE22      GLN  44   2.735   8.114  -0.316
  415    H    VAL  45           HN       VAL  45  -1.394   3.885   2.057
  416    HA   VAL  45           HA       VAL  45  -2.532   1.596   1.299
  417    HB   VAL  45           HB       VAL  45  -4.431   2.101   2.826
  418   1HG1  VAL  45          HG11      VAL  45  -3.053   1.578   4.501
  419   2HG1  VAL  45          HG12      VAL  45  -2.220   3.128   4.386
  420   3HG1  VAL  45          HG13      VAL  45  -1.730   1.786   3.352
  421   1HG2  VAL  45          HG21      VAL  45  -4.022   4.352   4.092
  422   2HG2  VAL  45          HG22      VAL  45  -4.948   4.343   2.592
  423   3HG2  VAL  45          HG23      VAL  45  -3.257   4.839   2.580
  424    H    ARG  46           HN       ARG  46  -3.698   4.769   0.309
  425    HA   ARG  46           HA       ARG  46  -6.070   3.674  -0.914
  426   1HB   ARG  46           HB2      ARG  46  -6.058   6.112  -1.932
  427   2HB   ARG  46           HB1      ARG  46  -6.564   5.814  -0.280
  428   1HG   ARG  46           HG2      ARG  46  -4.777   6.873   0.598
  429   2HG   ARG  46           HG1      ARG  46  -3.702   6.374  -0.703
  430   1HD   ARG  46           HD2      ARG  46  -4.168   8.825  -0.619
  431   2HD   ARG  46           HD1      ARG  46  -4.556   8.059  -2.156
  432    HE   ARG  46           HE       ARG  46  -6.458   9.076  -0.179
  433   1HH1  ARG  46          HH11      ARG  46  -5.893   7.572  -3.286
  434   2HH1  ARG  46          HH12      ARG  46  -7.491   7.894  -3.866
  435   1HH2  ARG  46          HH21      ARG  46  -8.555   9.491  -0.947
  436   2HH2  ARG  46          HH22      ARG  46  -9.001   8.980  -2.540
  437    H    VAL  47           HN       VAL  47  -3.228   5.432  -2.207
  438    HA   VAL  47           HA       VAL  47  -3.763   4.733  -4.906
  439    HB   VAL  47           HB       VAL  47  -1.558   5.603  -5.408
  440   1HG1  VAL  47          HG11      VAL  47  -1.744   7.792  -3.970
  441   2HG1  VAL  47          HG12      VAL  47  -3.276   7.074  -3.468
  442   3HG1  VAL  47          HG13      VAL  47  -2.970   7.397  -5.174
  443   1HG2  VAL  47          HG21      VAL  47  -0.188   4.632  -3.739
  444   2HG2  VAL  47          HG22      VAL  47  -1.125   5.367  -2.439
  445   3HG2  VAL  47          HG23      VAL  47  -0.110   6.374  -3.469
  446    H    TRP  48           HN       TRP  48  -1.578   3.440  -2.468
  447    HA   TRP  48           HA       TRP  48  -0.269   1.557  -4.064
  448   1HB   TRP  48           HB2      TRP  48  -0.202   2.413  -1.392
  449   2HB   TRP  48           HB1      TRP  48  -0.484   0.680  -1.322
  450    HD1  TRP  48           HD1      TRP  48   2.075   3.263  -2.535
  451    HE1  TRP  48           HE1      TRP  48   4.345   2.097  -2.853
  452    HE3  TRP  48           HE3      TRP  48   0.620  -1.579  -1.758
  453    HZ2  TRP  48           HZ2      TRP  48   5.384  -0.523  -2.786
  454    HZ3  TRP  48           HZ3      TRP  48   2.319  -3.351  -1.905
  455    HH2  TRP  48           HH2      TRP  48   4.649  -2.835  -2.408
  456    H    PHE  49           HN       PHE  49  -3.012   1.080  -1.797
  457    HA   PHE  49           HA       PHE  49  -3.405  -1.635  -2.505
  458   1HB   PHE  49           HB2      PHE  49  -5.357   0.349  -1.317
  459   2HB   PHE  49           HB1      PHE  49  -5.643  -1.378  -1.448
  460    HD1  PHE  49           HD1      PHE  49  -2.453  -1.714  -0.761
  461    HD2  PHE  49           HD2      PHE  49  -5.874   0.010   1.094
  462    HE1  PHE  49           HE1      PHE  49  -1.426  -2.055   1.452
  463    HE2  PHE  49           HE2      PHE  49  -4.852  -0.321   3.302
  464    HZ   PHE  49           HZ       PHE  49  -2.630  -1.353   3.488
  465    H    ILE  50           HN       ILE  50  -4.368   1.358  -3.990
  466    HA   ILE  50           HA       ILE  50  -6.626   0.557  -5.401
  467    HB   ILE  50           HB       ILE  50  -4.593   2.672  -5.746
  468   1HG1  ILE  50          HG12      ILE  50  -6.785   2.889  -4.534
  469   2HG1  ILE  50          HG11      ILE  50  -6.517   4.098  -5.786
  470   1HG2  ILE  50          HG21      ILE  50  -5.587   3.329  -7.971
  471   2HG2  ILE  50          HG22      ILE  50  -6.240   1.694  -8.064
  472   3HG2  ILE  50          HG23      ILE  50  -4.496   1.943  -7.995
  473   1HD1  ILE  50          HD11      ILE  50  -8.188   1.619  -6.117
  474   2HD1  ILE  50          HD12      ILE  50  -7.988   2.921  -7.288
  475   3HD1  ILE  50          HD13      ILE  50  -8.812   3.228  -5.761
  476    H    ASN  51           HN       ASN  51  -3.255   0.549  -6.594
  477    HA   ASN  51           HA       ASN  51  -3.968  -1.073  -8.862
  478   1HB   ASN  51           HB2      ASN  51  -1.324  -0.073  -7.805
  479   2HB   ASN  51           HB1      ASN  51  -1.460  -1.086  -9.239
  480   1HD2  ASN  51          HD21      ASN  51  -1.074   1.970  -8.285
  481   2HD2  ASN  51          HD22      ASN  51  -1.811   2.810  -9.610
  482    H    LYS  52           HN       LYS  52  -2.557  -1.582  -5.703
  483    HA   LYS  52           HA       LYS  52  -1.816  -4.322  -6.278
  484   1HB   LYS  52           HB2      LYS  52  -1.642  -2.547  -3.867
  485   2HB   LYS  52           HB1      LYS  52  -1.390  -4.277  -3.714
  486   1HG   LYS  52           HG2      LYS  52   0.166  -2.489  -5.573
  487   2HG   LYS  52           HG1      LYS  52   0.704  -2.966  -3.964
  488   1HD   LYS  52           HD2      LYS  52   0.238  -5.388  -4.895
  489   2HD   LYS  52           HD1      LYS  52   0.466  -4.588  -6.452
  490   1HE   LYS  52           HE2      LYS  52   2.568  -3.621  -5.001
  491   2HE   LYS  52           HE1      LYS  52   2.416  -5.260  -4.370
  492   1HZ   LYS  52           HZ1      LYS  52   3.222  -4.356  -7.011
  493   2HZ   LYS  52           HZ2      LYS  52   2.231  -5.726  -6.976
  494   3HZ   LYS  52           HZ3      LYS  52   3.702  -5.726  -6.140
  495    H    ARG  53           HN       ARG  53  -4.712  -2.901  -5.765
  496    HA   ARG  53           HA       ARG  53  -5.991  -5.360  -5.074
  497   1HB   ARG  53           HB2      ARG  53  -5.208  -4.447  -2.839
  498   2HB   ARG  53           HB1      ARG  53  -6.316  -3.107  -3.092
  499   1HG   ARG  53           HG2      ARG  53  -8.061  -5.039  -3.450
  500   2HG   ARG  53           HG1      ARG  53  -6.902  -5.954  -2.489
  501   1HD   ARG  53           HD2      ARG  53  -7.581  -4.969  -0.619
  502   2HD   ARG  53           HD1      ARG  53  -7.348  -3.368  -1.319
  503    HE   ARG  53           HE       ARG  53  -9.825  -4.808  -1.061
  504   1HH1  ARG  53          HH11      ARG  53  -8.135  -2.295  -2.794
  505   2HH1  ARG  53          HH12      ARG  53  -9.585  -1.482  -3.280
  506   1HH2  ARG  53          HH21      ARG  53 -11.734  -3.742  -1.701
  507   2HH2  ARG  53          HH22      ARG  53 -11.627  -2.304  -2.661
  508    H    MET  54           HN       MET  54  -6.117  -3.516  -7.238
  509    HA   MET  54           HA       MET  54  -8.294  -1.749  -7.081
  510   1HB   MET  54           HB2      MET  54  -6.428  -2.435  -9.000
  511   2HB   MET  54           HB1      MET  54  -7.939  -2.988  -9.706
  512   1HG   MET  54           HG2      MET  54  -8.861  -0.839  -9.702
  513   2HG   MET  54           HG1      MET  54  -7.644  -0.227  -8.582
  514   1HE   MET  54           HE1      MET  54  -7.779  -0.821 -12.931
  515   2HE   MET  54           HE2      MET  54  -8.219  -2.030 -11.725
  516   3HE   MET  54           HE3      MET  54  -6.611  -2.052 -12.451
  517    H    ARG  55           HN       ARG  55  -9.725  -3.168  -5.790
  518    HA   ARG  55           HA       ARG  55 -10.946  -5.455  -6.935
  519   1HB   ARG  55           HB2      ARG  55 -11.782  -3.628  -4.682
  520   2HB   ARG  55           HB1      ARG  55 -12.676  -5.074  -5.130
  521   1HG   ARG  55           HG2      ARG  55  -9.762  -5.242  -4.495
  522   2HG   ARG  55           HG1      ARG  55 -10.960  -5.182  -3.202
  523   1HD   ARG  55           HD2      ARG  55 -10.790  -7.215  -5.422
  524   2HD   ARG  55           HD1      ARG  55 -10.431  -7.482  -3.716
  525    HE   ARG  55           HE       ARG  55 -13.025  -7.411  -4.954
  526   1HH1  ARG  55          HH11      ARG  55 -11.268  -7.002  -1.966
  527   2HH1  ARG  55          HH12      ARG  55 -12.639  -7.350  -0.966
  528   1HH2  ARG  55          HH21      ARG  55 -14.829  -7.868  -3.641
  529   2HH2  ARG  55          HH22      ARG  55 -14.660  -7.842  -1.917
  530    H    SER  56           HN       SER  56 -11.874  -2.047  -6.733
  531    HA   SER  56           HA       SER  56 -14.432  -2.206  -7.808
  532   1HB   SER  56           HB2      SER  56 -13.610  -0.151  -6.817
  533   2HB   SER  56           HB1      SER  56 -12.377   0.002  -8.069
  534    HG   SER  56           HG       SER  56 -15.167  -0.021  -8.584
  535    H    LYS  57           HN       LYS  57 -15.250  -2.491  -9.792
  536    HA   LYS  57           HA       LYS  57 -13.608  -2.114 -12.152
  537   1HB   LYS  57           HB2      LYS  57 -14.312  -4.460 -12.961
  538   2HB   LYS  57           HB1      LYS  57 -12.970  -4.338 -11.831
  539   1HG   LYS  57           HG2      LYS  57 -14.478  -4.906  -9.986
  540   2HG   LYS  57           HG1      LYS  57 -15.813  -5.049 -11.133
  541   1HD   LYS  57           HD2      LYS  57 -13.526  -6.622 -11.960
  542   2HD   LYS  57           HD1      LYS  57 -14.065  -7.065 -10.338
  543   1HE   LYS  57           HE2      LYS  57 -16.241  -6.696 -12.260
  544   2HE   LYS  57           HE1      LYS  57 -15.132  -8.001 -12.677
  545   1HZ   LYS  57           HZ1      LYS  57 -16.170  -7.806  -9.933
  546   2HZ   LYS  57           HZ2      LYS  57 -15.657  -9.172 -10.790
  547   3HZ   LYS  57           HZ3      LYS  57 -17.151  -8.462 -11.146
  Start of MODEL   17
    1   1H    LYS  -3           HT1      LYS  -3  14.061  15.651  -7.389
    2   2H    LYS  -3           HT2      LYS  -3  14.626  14.074  -7.013
    3   3H    LYS  -3           HT3      LYS  -3  12.940  14.384  -7.113
    4    HA   LYS  -3           HA       LYS  -3  14.934  14.256  -9.254
    5   1HB   LYS  -3           HB2      LYS  -3  12.325  12.894  -8.586
    6   2HB   LYS  -3           HB1      LYS  -3  13.073  12.766 -10.172
    7   1HG   LYS  -3           HG2      LYS  -3  14.434  11.976  -7.608
    8   2HG   LYS  -3           HG1      LYS  -3  13.540  10.859  -8.642
    9   1HD   LYS  -3           HD2      LYS  -3  15.714  12.547  -9.809
   10   2HD   LYS  -3           HD1      LYS  -3  16.127  11.093  -8.897
   11   1HE   LYS  -3           HE2      LYS  -3  15.351   9.709 -10.502
   12   2HE   LYS  -3           HE1      LYS  -3  14.003  10.768 -10.909
   13   1HZ   LYS  -3           HZ1      LYS  -3  16.240  10.399 -12.404
   14   2HZ   LYS  -3           HZ2      LYS  -3  16.549  11.873 -11.634
   15   3HZ   LYS  -3           HZ3      LYS  -3  15.150  11.683 -12.566
   16    H    LYS  -2           HN       LYS  -2  13.447  14.276 -11.419
   17    HA   LYS  -2           HA       LYS  -2  12.869  16.972 -11.890
   18   1HB   LYS  -2           HB2      LYS  -2  13.058  14.620 -13.417
   19   2HB   LYS  -2           HB1      LYS  -2  11.449  15.256 -13.729
   20   1HG   LYS  -2           HG2      LYS  -2  13.880  17.000 -13.901
   21   2HG   LYS  -2           HG1      LYS  -2  13.352  16.001 -15.258
   22   1HD   LYS  -2           HD2      LYS  -2  11.021  17.199 -14.560
   23   2HD   LYS  -2           HD1      LYS  -2  12.182  18.462 -14.148
   24   1HE   LYS  -2           HE2      LYS  -2  12.632  17.159 -16.742
   25   2HE   LYS  -2           HE1      LYS  -2  11.130  18.075 -16.622
   26   1HZ   LYS  -2           HZ1      LYS  -2  13.340  19.226 -17.346
   27   2HZ   LYS  -2           HZ2      LYS  -2  13.615  19.316 -15.680
   28   3HZ   LYS  -2           HZ3      LYS  -2  12.239  20.037 -16.349
   29    H    GLU  -1           HN       GLU  -1  10.757  14.253 -11.108
   30    HA   GLU  -1           HA       GLU  -1   8.802  15.868  -9.900
   31   1HB   GLU  -1           HB2      GLU  -1   8.363  16.527 -12.251
   32   2HB   GLU  -1           HB1      GLU  -1   8.026  14.845 -12.637
   33   1HG   GLU  -1           HG2      GLU  -1   5.949  14.980 -11.864
   34   2HG   GLU  -1           HG1      GLU  -1   6.465  15.786 -10.384
   35    H    LYS   0           HN       LYS   0   8.527  13.019 -12.029
   36    HA   LYS   0           HA       LYS   0   7.376  11.538  -9.779
   37   1HB   LYS   0           HB2      LYS   0   7.289  11.194 -12.759
   38   2HB   LYS   0           HB1      LYS   0   6.907   9.845 -11.699
   39   1HG   LYS   0           HG2      LYS   0   5.278  11.548 -10.585
   40   2HG   LYS   0           HG1      LYS   0   5.431  12.398 -12.123
   41   1HD   LYS   0           HD2      LYS   0   3.585  11.020 -12.457
   42   2HD   LYS   0           HD1      LYS   0   4.906  10.108 -13.187
   43   1HE   LYS   0           HE2      LYS   0   4.422   9.601 -10.324
   44   2HE   LYS   0           HE1      LYS   0   3.148   9.070 -11.420
   45   1HZ   LYS   0           HZ1      LYS   0   5.490   7.747 -10.843
   46   2HZ   LYS   0           HZ2      LYS   0   5.711   8.344 -12.410
   47   3HZ   LYS   0           HZ3      LYS   0   4.381   7.360 -12.061
   48    H    SER   1           HN       SER   1   7.894   9.062  -9.965
   49    HA   SER   1           HA       SER   1   9.417   7.412  -9.614
   50   1HB   SER   1           HB2      SER   1   9.852   7.733 -12.030
   51   2HB   SER   1           HB1      SER   1  11.080   8.936 -11.635
   52    HG   SER   1           HG       SER   1  12.419   7.359 -11.340
   53    HA   PRO   2           HA       PRO   2  11.581  10.463  -6.689
   54   1HB   PRO   2           HB2      PRO   2  10.667   8.267  -4.890
   55   2HB   PRO   2           HB1      PRO   2  10.676  10.013  -4.619
   56   1HG   PRO   2           HG2      PRO   2   8.407   8.739  -5.180
   57   2HG   PRO   2           HG1      PRO   2   8.738  10.348  -5.848
   58   1HD   PRO   2           HD2      PRO   2   8.839   7.684  -7.182
   59   2HD   PRO   2           HD1      PRO   2   8.359   9.261  -7.841
   60    H    LYS   3           HN       LYS   3  11.603   6.940  -7.015
   61    HA   LYS   3           HA       LYS   3  14.509   6.965  -6.935
   62   1HB   LYS   3           HB2      LYS   3  12.791   5.759  -4.832
   63   2HB   LYS   3           HB1      LYS   3  14.191   4.831  -5.351
   64   1HG   LYS   3           HG2      LYS   3  15.668   6.279  -4.430
   65   2HG   LYS   3           HG1      LYS   3  14.640   7.684  -4.718
   66   1HD   LYS   3           HD2      LYS   3  13.135   6.372  -2.916
   67   2HD   LYS   3           HD1      LYS   3  14.740   5.839  -2.412
   68   1HE   LYS   3           HE2      LYS   3  14.596   7.749  -1.183
   69   2HE   LYS   3           HE1      LYS   3  15.266   8.425  -2.667
   70   1HZ   LYS   3           HZ1      LYS   3  12.655   8.561  -3.181
   71   2HZ   LYS   3           HZ2      LYS   3  13.533   9.819  -2.469
   72   3HZ   LYS   3           HZ3      LYS   3  12.633   8.765  -1.502
   73    H    GLY   4           HN       GLY   4  15.406   4.763  -7.462
   74   1HA   GLY   4           HA2      GLY   4  13.808   3.635  -9.630
   75   2HA   GLY   4           HA1      GLY   4  15.522   3.365  -9.352
   76    H    LYS   5           HN       LYS   5  13.905   1.257  -9.983
   77    HA   LYS   5           HA       LYS   5  13.370  -0.856  -9.334
   78   1HB   LYS   5           HB2      LYS   5  15.102  -0.086  -6.981
   79   2HB   LYS   5           HB1      LYS   5  14.482  -1.710  -7.247
   80   1HG   LYS   5           HG2      LYS   5  16.268  -0.210  -9.152
   81   2HG   LYS   5           HG1      LYS   5  16.805  -1.436  -8.002
   82   1HD   LYS   5           HD2      LYS   5  14.835  -2.785  -9.258
   83   2HD   LYS   5           HD1      LYS   5  15.375  -1.731 -10.566
   84   1HE   LYS   5           HE2      LYS   5  17.256  -2.896 -10.853
   85   2HE   LYS   5           HE1      LYS   5  17.600  -2.908  -9.124
   86   1HZ   LYS   5           HZ1      LYS   5  15.556  -4.696 -10.286
   87   2HZ   LYS   5           HZ2      LYS   5  16.383  -4.848  -8.819
   88   3HZ   LYS   5           HZ3      LYS   5  17.192  -5.128 -10.277
   89    H    SER   6           HN       SER   6  11.158  -0.304  -9.160
   90    HA   SER   6           HA       SER   6   9.130  -0.188  -8.153
   91   1HB   SER   6           HB2      SER   6   9.636  -1.065  -5.502
   92   2HB   SER   6           HB1      SER   6   8.965  -1.992  -6.841
   93    HG   SER   6           HG       SER   6  11.412  -2.153  -5.695
   94    H    SER   7           HN       SER   7  10.934   0.334  -5.147
   95    HA   SER   7           HA       SER   7  11.029   3.075  -5.043
   96   1HB   SER   7           HB2      SER   7   8.297   2.059  -4.702
   97   2HB   SER   7           HB1      SER   7   8.825   3.113  -3.390
   98    HG   SER   7           HG       SER   7   7.859   3.976  -5.535
   99    H    ILE   8           HN       ILE   8   9.416   0.876  -2.751
  100    HA   ILE   8           HA       ILE   8  11.394   1.591  -0.730
  101    HB   ILE   8           HB       ILE   8   8.823   1.508  -0.365
  102   1HG1  ILE   8          HG12      ILE   8  10.431   0.028   1.703
  103   2HG1  ILE   8          HG11      ILE   8  10.730   1.729   1.358
  104   1HG2  ILE   8          HG21      ILE   8   9.465  -1.402   0.083
  105   2HG2  ILE   8          HG22      ILE   8   8.534  -0.768  -1.273
  106   3HG2  ILE   8          HG23      ILE   8   7.919  -0.603   0.371
  107   1HD1  ILE   8          HD11      ILE   8   8.538   0.450   2.817
  108   2HD1  ILE   8          HD12      ILE   8   8.046   1.734   1.712
  109   3HD1  ILE   8          HD13      ILE   8   9.227   2.065   2.979
  110    H    SER   9           HN       SER   9  12.069  -0.242   0.767
  111    HA   SER   9           HA       SER   9  13.683  -2.066  -0.562
  112   1HB   SER   9           HB2      SER   9  12.872  -3.063   2.042
  113   2HB   SER   9           HB1      SER   9  14.435  -2.426   1.531
  114    HG   SER   9           HG       SER   9  13.033  -1.284   3.233
  115    HA   PRO  10           HA       PRO  10  11.455  -5.816  -1.489
  116   1HB   PRO  10           HB2      PRO  10  11.770  -7.544   0.691
  117   2HB   PRO  10           HB1      PRO  10  12.834  -7.449  -0.716
  118   1HG   PRO  10           HG2      PRO  10  13.130  -6.198   1.976
  119   2HG   PRO  10           HG1      PRO  10  14.371  -6.900   0.921
  120   1HD   PRO  10           HD2      PRO  10  14.110  -4.265   1.135
  121   2HD   PRO  10           HD1      PRO  10  14.454  -5.003  -0.442
  122    H    GLN  11           HN       GLN  11  11.014  -4.429   1.667
  123    HA   GLN  11           HA       GLN  11   8.728  -5.623   2.607
  124   1HB   GLN  11           HB2      GLN  11   9.571  -2.726   2.689
  125   2HB   GLN  11           HB1      GLN  11   8.194  -3.347   3.586
  126   1HG   GLN  11           HG2      GLN  11   9.661  -4.850   4.815
  127   2HG   GLN  11           HG1      GLN  11  11.046  -4.257   3.901
  128   1HE2  GLN  11          HE21      GLN  11  10.432  -1.550   3.848
  129   2HE2  GLN  11          HE22      GLN  11  10.555  -0.914   5.454
  130    H    ALA  12           HN       ALA  12   9.087  -3.502  -0.139
  131    HA   ALA  12           HA       ALA  12   6.597  -2.449  -0.504
  132   1HB   ALA  12           HB1      ALA  12   7.721  -3.757  -2.901
  133   2HB   ALA  12           HB2      ALA  12   8.781  -2.625  -2.060
  134   3HB   ALA  12           HB3      ALA  12   7.209  -2.088  -2.653
  135    H    ARG  13           HN       ARG  13   7.644  -5.670  -1.577
  136    HA   ARG  13           HA       ARG  13   4.935  -6.499  -2.126
  137   1HB   ARG  13           HB2      ARG  13   5.878  -8.527  -2.938
  138   2HB   ARG  13           HB1      ARG  13   6.950  -7.237  -3.460
  139   1HG   ARG  13           HG2      ARG  13   8.189  -7.856  -1.202
  140   2HG   ARG  13           HG1      ARG  13   7.405  -9.408  -1.493
  141   1HD   ARG  13           HD2      ARG  13   8.419  -8.754  -3.964
  142   2HD   ARG  13           HD1      ARG  13   9.655  -8.151  -2.860
  143    HE   ARG  13           HE       ARG  13  10.205 -10.313  -2.348
  144   1HH1  ARG  13          HH11      ARG  13   7.109 -10.288  -3.958
  145   2HH1  ARG  13          HH12      ARG  13   7.032 -12.012  -4.106
  146   1HH2  ARG  13          HH21      ARG  13  10.107 -12.579  -2.543
  147   2HH2  ARG  13          HH22      ARG  13   8.734 -13.313  -3.301
  148    H    ALA  14           HN       ALA  14   7.370  -7.010   0.365
  149    HA   ALA  14           HA       ALA  14   6.053  -9.098   1.742
  150   1HB   ALA  14           HB1      ALA  14   8.022  -9.109   2.762
  151   2HB   ALA  14           HB2      ALA  14   7.577  -7.621   3.597
  152   3HB   ALA  14           HB3      ALA  14   8.429  -7.546   2.055
  153    H    PHE  15           HN       PHE  15   6.288  -5.634   2.559
  154    HA   PHE  15           HA       PHE  15   4.549  -5.650   4.709
  155   1HB   PHE  15           HB2      PHE  15   4.778  -3.382   4.715
  156   2HB   PHE  15           HB1      PHE  15   6.071  -3.745   3.586
  157    HD1  PHE  15           HD1      PHE  15   6.161  -2.533   1.631
  158    HD2  PHE  15           HD2      PHE  15   2.407  -3.012   3.574
  159    HE1  PHE  15           HE1      PHE  15   5.117  -1.046  -0.025
  160    HE2  PHE  15           HE2      PHE  15   1.355  -1.527   1.918
  161    HZ   PHE  15           HZ       PHE  15   2.712  -0.543   0.115
  162    H    LEU  16           HN       LEU  16   3.838  -5.059   1.280
  163    HA   LEU  16           HA       LEU  16   1.034  -4.806   1.688
  164   1HB   LEU  16           HB2      LEU  16   2.065  -3.876  -0.295
  165   2HB   LEU  16           HB1      LEU  16   2.622  -5.464  -0.792
  166    HG   LEU  16           HG       LEU  16  -0.069  -5.878  -0.603
  167   1HD1  LEU  16          HD11      LEU  16   0.129  -3.139  -0.440
  168   2HD1  LEU  16          HD12      LEU  16  -1.299  -4.053  -0.923
  169   3HD1  LEU  16          HD13      LEU  16  -0.202  -3.423  -2.147
  170   1HD2  LEU  16          HD21      LEU  16   1.027  -6.710  -2.461
  171   2HD2  LEU  16          HD22      LEU  16   1.737  -5.150  -2.872
  172   3HD2  LEU  16          HD23      LEU  16   0.021  -5.438  -3.152
  173    H    GLU  17           HN       GLU  17   3.207  -7.480   1.037
  174    HA   GLU  17           HA       GLU  17   1.461  -9.463   0.245
  175   1HB   GLU  17           HB2      GLU  17   4.087  -9.358   1.509
  176   2HB   GLU  17           HB1      GLU  17   3.162 -10.763   2.023
  177   1HG   GLU  17           HG2      GLU  17   2.785 -10.699  -0.711
  178   2HG   GLU  17           HG1      GLU  17   4.469 -10.221  -0.503
  179    H    GLN  18           HN       GLN  18   2.447  -8.805   3.581
  180    HA   GLN  18           HA       GLN  18   0.484 -10.474   4.739
  181   1HB   GLN  18           HB2      GLN  18   1.047  -8.956   6.819
  182   2HB   GLN  18           HB1      GLN  18   2.205 -10.127   6.209
  183   1HG   GLN  18           HG2      GLN  18   3.689  -8.554   5.698
  184   2HG   GLN  18           HG1      GLN  18   2.474  -7.535   4.935
  185   1HE2  GLN  18          HE21      GLN  18   2.719  -5.591   5.787
  186   2HE2  GLN  18          HE22      GLN  18   2.786  -5.232   7.481
  187    H    VAL  19           HN       VAL  19   0.557  -7.029   3.942
  188    HA   VAL  19           HA       VAL  19  -1.734  -6.207   5.317
  189    HB   VAL  19           HB       VAL  19  -0.712  -5.239   2.637
  190   1HG1  VAL  19          HG11      VAL  19  -2.982  -4.368   4.333
  191   2HG1  VAL  19          HG12      VAL  19  -2.778  -4.293   2.582
  192   3HG1  VAL  19          HG13      VAL  19  -1.979  -3.109   3.615
  193   1HG2  VAL  19          HG21      VAL  19   0.486  -5.060   5.097
  194   2HG2  VAL  19          HG22      VAL  19  -0.381  -3.529   4.976
  195   3HG2  VAL  19          HG23      VAL  19   0.778  -3.987   3.730
  196    H    PHE  20           HN       PHE  20  -1.613  -6.902   1.815
  197    HA   PHE  20           HA       PHE  20  -4.375  -7.165   1.485
  198   1HB   PHE  20           HB2      PHE  20  -2.584  -6.885  -0.306
  199   2HB   PHE  20           HB1      PHE  20  -2.300  -8.616  -0.161
  200    HD1  PHE  20           HD1      PHE  20  -2.824  -8.182  -2.719
  201    HD2  PHE  20           HD2      PHE  20  -5.716  -8.054   0.404
  202    HE1  PHE  20           HE1      PHE  20  -4.610  -8.596  -4.358
  203    HE2  PHE  20           HE2      PHE  20  -7.503  -8.472  -1.230
  204    HZ   PHE  20           HZ       PHE  20  -6.953  -8.744  -3.614
  205    H    ARG  21           HN       ARG  21  -2.149  -9.288   2.977
  206    HA   ARG  21           HA       ARG  21  -3.596 -11.722   2.466
  207   1HB   ARG  21           HB2      ARG  21  -1.043 -11.110   3.344
  208   2HB   ARG  21           HB1      ARG  21  -1.817 -11.755   4.775
  209   1HG   ARG  21           HG2      ARG  21  -1.027 -13.687   3.898
  210   2HG   ARG  21           HG1      ARG  21  -2.579 -13.627   3.060
  211   1HD   ARG  21           HD2      ARG  21  -1.505 -12.603   1.124
  212   2HD   ARG  21           HD1      ARG  21   0.045 -12.623   1.963
  213    HE   ARG  21           HE       ARG  21  -1.268 -14.843   0.678
  214   1HH1  ARG  21          HH11      ARG  21   1.114 -13.881   3.041
  215   2HH1  ARG  21          HH12      ARG  21   1.982 -15.377   2.958
  216   1HH2  ARG  21          HH21      ARG  21  -0.129 -16.811   0.570
  217   2HH2  ARG  21          HH22      ARG  21   1.276 -17.041   1.555
  218    H    ARG  22           HN       ARG  22  -3.364  -9.376   5.091
  219    HA   ARG  22           HA       ARG  22  -4.745 -10.787   7.064
  220   1HB   ARG  22           HB2      ARG  22  -4.460  -7.843   6.500
  221   2HB   ARG  22           HB1      ARG  22  -5.341  -8.443   7.896
  222   1HG   ARG  22           HG2      ARG  22  -3.310  -9.603   8.656
  223   2HG   ARG  22           HG1      ARG  22  -2.435  -8.927   7.281
  224   1HD   ARG  22           HD2      ARG  22  -2.149  -7.698   9.456
  225   2HD   ARG  22           HD1      ARG  22  -2.687  -6.715   8.097
  226    HE   ARG  22           HE       ARG  22  -4.208  -7.408  10.471
  227   1HH1  ARG  22          HH11      ARG  22  -4.249  -6.045   7.254
  228   2HH1  ARG  22          HH12      ARG  22  -5.732  -5.189   7.504
  229   1HH2  ARG  22          HH21      ARG  22  -6.156  -6.282  10.796
  230   2HH2  ARG  22          HH22      ARG  22  -6.814  -5.322   9.513
  231    H    LYS  23           HN       LYS  23  -5.898  -8.817   4.398
  232    HA   LYS  23           HA       LYS  23  -8.427 -10.103   4.370
  233   1HB   LYS  23           HB2      LYS  23  -9.869  -8.280   4.961
  234   2HB   LYS  23           HB1      LYS  23  -8.762  -8.571   6.294
  235   1HG   LYS  23           HG2      LYS  23  -7.518  -6.642   5.827
  236   2HG   LYS  23           HG1      LYS  23  -8.238  -6.462   4.229
  237   1HD   LYS  23           HD2      LYS  23  -9.470  -5.925   6.915
  238   2HD   LYS  23           HD1      LYS  23  -9.274  -4.829   5.551
  239   1HE   LYS  23           HE2      LYS  23 -10.862  -6.341   4.283
  240   2HE   LYS  23           HE1      LYS  23 -11.205  -7.115   5.829
  241   1HZ   LYS  23           HZ1      LYS  23 -12.655  -5.140   4.978
  242   2HZ   LYS  23           HZ2      LYS  23 -11.417  -4.196   5.639
  243   3HZ   LYS  23           HZ3      LYS  23 -12.273  -5.275   6.621
  244    H    GLN  24           HN       GLN  24  -9.675  -7.558   3.193
  245    HA   GLN  24           HA       GLN  24  -8.042  -7.329   0.774
  246   1HB   GLN  24           HB2      GLN  24 -10.943  -7.633   0.292
  247   2HB   GLN  24           HB1      GLN  24  -9.581  -8.175  -0.672
  248   1HG   GLN  24           HG2      GLN  24  -9.438  -9.777   1.558
  249   2HG   GLN  24           HG1      GLN  24 -11.170  -9.601   1.298
  250   1HE2  GLN  24          HE21      GLN  24  -8.991 -11.752   0.839
  251   2HE2  GLN  24          HE22      GLN  24  -9.372 -12.351  -0.742
  252    H    SER  25           HN       SER  25 -11.055  -6.289   2.319
  253    HA   SER  25           HA       SER  25 -10.871  -3.722   0.955
  254   1HB   SER  25           HB2      SER  25 -13.024  -4.972   1.080
  255   2HB   SER  25           HB1      SER  25 -13.031  -4.703   2.822
  256    HG   SER  25           HG       SER  25 -12.917  -2.411   2.292
  257    H    LEU  26           HN       LEU  26  -8.955  -3.009   2.151
  258    HA   LEU  26           HA       LEU  26  -9.133  -2.511   4.965
  259   1HB   LEU  26           HB2      LEU  26  -7.288  -1.145   3.003
  260   2HB   LEU  26           HB1      LEU  26  -7.065  -1.304   4.732
  261    HG   LEU  26           HG       LEU  26  -6.596  -3.305   2.571
  262   1HD1  LEU  26          HD11      LEU  26  -4.503  -2.927   3.195
  263   2HD1  LEU  26          HD12      LEU  26  -4.872  -3.569   4.795
  264   3HD1  LEU  26          HD13      LEU  26  -5.053  -1.845   4.474
  265   1HD2  LEU  26          HD21      LEU  26  -6.524  -5.099   4.284
  266   2HD2  LEU  26          HD22      LEU  26  -8.149  -4.497   3.956
  267   3HD2  LEU  26          HD23      LEU  26  -7.301  -3.993   5.418
  268    H    ASN  27           HN       ASN  27 -10.178  -0.875   5.949
  269    HA   ASN  27           HA       ASN  27 -11.211   1.289   4.265
  270   1HB   ASN  27           HB2      ASN  27 -12.430   1.744   6.626
  271   2HB   ASN  27           HB1      ASN  27 -13.068   0.653   5.404
  272   1HD2  ASN  27          HD21      ASN  27 -11.041   0.767   8.279
  273   2HD2  ASN  27          HD22      ASN  27 -11.434  -0.824   8.844
  274    H    SER  28           HN       SER  28 -11.511   3.423   5.636
  275    HA   SER  28           HA       SER  28  -9.130   4.722   5.797
  276   1HB   SER  28           HB2      SER  28 -11.085   6.043   5.850
  277   2HB   SER  28           HB1      SER  28 -11.705   5.215   7.282
  278    HG   SER  28           HG       SER  28 -10.734   6.681   8.410
  279    H    LYS  29           HN       LYS  29 -10.561   2.707   8.268
  280    HA   LYS  29           HA       LYS  29  -8.733   3.525  10.327
  281   1HB   LYS  29           HB2      LYS  29 -10.733   1.292  10.083
  282   2HB   LYS  29           HB1      LYS  29  -9.700   1.469  11.487
  283   1HG   LYS  29           HG2      LYS  29 -11.819   3.361  10.509
  284   2HG   LYS  29           HG1      LYS  29 -11.790   2.450  12.020
  285   1HD   LYS  29           HD2      LYS  29 -10.930   4.286  12.956
  286   2HD   LYS  29           HD1      LYS  29  -9.440   3.906  12.091
  287   1HE   LYS  29           HE2      LYS  29 -10.150   5.290  10.221
  288   2HE   LYS  29           HE1      LYS  29 -11.682   5.627  11.033
  289   1HZ   LYS  29           HZ1      LYS  29 -10.029   6.440  12.905
  290   2HZ   LYS  29           HZ2      LYS  29 -10.522   7.457  11.647
  291   3HZ   LYS  29           HZ3      LYS  29  -9.016   6.691  11.573
  292    H    GLU  30           HN       GLU  30  -9.109   0.669   8.268
  293    HA   GLU  30           HA       GLU  30  -6.802  -0.653   9.261
  294   1HB   GLU  30           HB2      GLU  30  -8.323  -1.046   6.677
  295   2HB   GLU  30           HB1      GLU  30  -7.084  -2.131   7.295
  296   1HG   GLU  30           HG2      GLU  30  -8.782  -1.982   9.414
  297   2HG   GLU  30           HG1      GLU  30  -9.897  -1.840   8.056
  298    H    LYS  31           HN       LYS  31  -7.493   1.475   6.552
  299    HA   LYS  31           HA       LYS  31  -5.053   1.210   5.210
  300   1HB   LYS  31           HB2      LYS  31  -5.791   2.927   3.891
  301   2HB   LYS  31           HB1      LYS  31  -7.308   2.467   4.635
  302   1HG   LYS  31           HG2      LYS  31  -7.128   4.269   6.226
  303   2HG   LYS  31           HG1      LYS  31  -5.534   4.695   5.591
  304   1HD   LYS  31           HD2      LYS  31  -6.462   5.347   3.496
  305   2HD   LYS  31           HD1      LYS  31  -8.047   4.705   3.932
  306   1HE   LYS  31           HE2      LYS  31  -8.595   6.530   5.129
  307   2HE   LYS  31           HE1      LYS  31  -6.972   6.700   5.797
  308   1HZ   LYS  31           HZ1      LYS  31  -8.135   8.219   3.798
  309   2HZ   LYS  31           HZ2      LYS  31  -6.952   7.286   3.030
  310   3HZ   LYS  31           HZ3      LYS  31  -6.530   8.281   4.331
  311    H    GLU  32           HN       GLU  32  -6.021   3.129   7.978
  312    HA   GLU  32           HA       GLU  32  -3.442   4.473   8.082
  313   1HB   GLU  32           HB2      GLU  32  -4.367   5.824   9.800
  314   2HB   GLU  32           HB1      GLU  32  -5.644   5.612   8.611
  315   1HG   GLU  32           HG2      GLU  32  -6.789   4.057   9.980
  316   2HG   GLU  32           HG1      GLU  32  -5.428   3.935  11.094
  317    H    GLU  33           HN       GLU  33  -5.268   2.013   9.793
  318    HA   GLU  33           HA       GLU  33  -3.406   1.675  11.927
  319   1HB   GLU  33           HB2      GLU  33  -5.662  -0.025  10.862
  320   2HB   GLU  33           HB1      GLU  33  -4.714  -0.468  12.270
  321   1HG   GLU  33           HG2      GLU  33  -5.860   2.239  12.306
  322   2HG   GLU  33           HG1      GLU  33  -7.016   0.911  12.372
  323    H    VAL  34           HN       VAL  34  -3.922   0.222   8.793
  324    HA   VAL  34           HA       VAL  34  -1.970  -1.867   9.148
  325    HB   VAL  34           HB       VAL  34  -3.443  -0.891   6.689
  326   1HG1  VAL  34          HG11      VAL  34  -2.121  -3.555   6.787
  327   2HG1  VAL  34          HG12      VAL  34  -1.134  -2.137   6.433
  328   3HG1  VAL  34          HG13      VAL  34  -2.508  -2.533   5.404
  329   1HG2  VAL  34          HG21      VAL  34  -3.861  -3.499   8.101
  330   2HG2  VAL  34          HG22      VAL  34  -4.944  -2.635   7.010
  331   3HG2  VAL  34          HG23      VAL  34  -4.671  -2.029   8.643
  332    H    ALA  35           HN       ALA  35  -2.137   1.299   7.604
  333    HA   ALA  35           HA       ALA  35   0.345   1.179   6.276
  334   1HB   ALA  35           HB1      ALA  35  -0.766   2.933   5.439
  335   2HB   ALA  35           HB2      ALA  35   0.067   3.818   6.711
  336   3HB   ALA  35           HB3      ALA  35  -1.589   3.275   6.958
  337    H    LYS  36           HN       LYS  36  -0.529   1.985   9.564
  338    HA   LYS  36           HA       LYS  36   2.121   2.984  10.181
  339   1HB   LYS  36           HB2      LYS  36   1.247   3.456  12.375
  340   2HB   LYS  36           HB1      LYS  36   0.095   4.004  11.166
  341   1HG   LYS  36           HG2      LYS  36  -1.248   1.992  11.536
  342   2HG   LYS  36           HG1      LYS  36  -0.097   1.460  12.764
  343   1HD   LYS  36           HD2      LYS  36  -0.853   4.122  13.387
  344   2HD   LYS  36           HD1      LYS  36  -2.327   3.215  13.043
  345   1HE   LYS  36           HE2      LYS  36  -0.192   2.177  14.887
  346   2HE   LYS  36           HE1      LYS  36  -1.498   3.218  15.452
  347   1HZ   LYS  36           HZ1      LYS  36  -2.230   0.863  13.885
  348   2HZ   LYS  36           HZ2      LYS  36  -3.037   1.592  15.180
  349   3HZ   LYS  36           HZ3      LYS  36  -1.695   0.605  15.469
  350    H    LYS  37           HN       LYS  37   0.475  -0.038  10.298
  351    HA   LYS  37           HA       LYS  37   2.440  -1.103  12.200
  352   1HB   LYS  37           HB2      LYS  37   0.977  -2.939  12.566
  353   2HB   LYS  37           HB1      LYS  37  -0.016  -1.490  12.590
  354   1HG   LYS  37           HG2      LYS  37  -1.320  -2.339  11.019
  355   2HG   LYS  37           HG1      LYS  37   0.056  -2.474   9.923
  356   1HD   LYS  37           HD2      LYS  37  -0.381  -4.679  10.017
  357   2HD   LYS  37           HD1      LYS  37   0.474  -4.602  11.559
  358   1HE   LYS  37           HE2      LYS  37  -2.508  -4.420  11.139
  359   2HE   LYS  37           HE1      LYS  37  -1.625  -5.781  11.830
  360   1HZ   LYS  37           HZ1      LYS  37  -1.690  -3.060  13.015
  361   2HZ   LYS  37           HZ2      LYS  37  -1.011  -4.448  13.701
  362   3HZ   LYS  37           HZ3      LYS  37  -2.687  -4.337  13.504
  363    H    CYS  38           HN       CYS  38   1.463  -1.241   8.874
  364    HA   CYS  38           HA       CYS  38   3.200  -3.540   8.381
  365   1HB   CYS  38           HB2      CYS  38   1.308  -2.085   6.526
  366   2HB   CYS  38           HB1      CYS  38   2.230  -3.528   6.115
  367    HG   CYS  38           HG       CYS  38   0.720  -4.932   7.582
  368    H    GLY  39           HN       GLY  39   3.019  -0.095   7.866
  369   1HA   GLY  39           HA2      GLY  39   5.192   1.021   7.647
  370   2HA   GLY  39           HA1      GLY  39   5.658  -0.256   6.535
  371    H    ILE  40           HN       ILE  40   2.459   1.081   6.329
  372    HA   ILE  40           HA       ILE  40   3.269   2.458   3.856
  373    HB   ILE  40           HB       ILE  40   0.403   2.075   4.102
  374   1HG1  ILE  40          HG12      ILE  40   2.018  -0.467   3.871
  375   2HG1  ILE  40          HG11      ILE  40   1.206   0.025   5.350
  376   1HG2  ILE  40          HG21      ILE  40   1.986   0.733   1.993
  377   2HG2  ILE  40          HG22      ILE  40   2.111   2.489   2.097
  378   3HG2  ILE  40          HG23      ILE  40   0.536   1.730   1.866
  379   1HD1  ILE  40          HD11      ILE  40  -0.280  -0.246   2.768
  380   2HD1  ILE  40          HD12      ILE  40  -0.912  -0.241   4.414
  381   3HD1  ILE  40          HD13      ILE  40   0.008  -1.626   3.826
  382    H    THR  41           HN       THR  41   0.911   3.970   3.515
  383    HA   THR  41           HA       THR  41   0.593   5.566   5.924
  384    HB   THR  41           HB       THR  41   1.101   7.408   3.781
  385    HG1  THR  41           HG1      THR  41   3.277   6.938   3.424
  386   1HG2  THR  41          HG21      THR  41   1.769   7.091   6.540
  387   2HG2  THR  41          HG22      THR  41   1.775   8.548   5.546
  388   3HG2  THR  41          HG23      THR  41   3.209   7.524   5.620
  389    HA   PRO  42           HA       PRO  42  -3.588   6.144   4.687
  390   1HB   PRO  42           HB2      PRO  42  -3.688   8.967   4.827
  391   2HB   PRO  42           HB1      PRO  42  -4.130   7.825   6.097
  392   1HG   PRO  42           HG2      PRO  42  -1.602   9.337   5.706
  393   2HG   PRO  42           HG1      PRO  42  -2.390   8.827   7.210
  394   1HD   PRO  42           HD2      PRO  42  -0.203   7.587   6.298
  395   2HD   PRO  42           HD1      PRO  42  -1.511   6.679   7.085
  396    H    LEU  43           HN       LEU  43  -1.076   8.037   3.162
  397    HA   LEU  43           HA       LEU  43  -2.722   8.746   0.891
  398   1HB   LEU  43           HB2      LEU  43  -1.031  10.148   0.265
  399   2HB   LEU  43           HB1      LEU  43  -0.703  10.034   1.983
  400    HG   LEU  43           HG       LEU  43   0.862   8.033   1.160
  401   1HD1  LEU  43          HD11      LEU  43   0.694   7.978  -1.108
  402   2HD1  LEU  43          HD12      LEU  43   1.995   9.159  -0.953
  403   3HD1  LEU  43          HD13      LEU  43   0.340   9.700  -1.238
  404   1HD2  LEU  43          HD21      LEU  43   1.320  10.958   1.444
  405   2HD2  LEU  43          HD22      LEU  43   2.642   9.952   0.851
  406   3HD2  LEU  43          HD23      LEU  43   1.917   9.619   2.424
  407    H    GLN  44           HN       GLN  44  -0.380   6.328   1.773
  408    HA   GLN  44           HA       GLN  44  -0.041   5.363  -0.923
  409   1HB   GLN  44           HB2      GLN  44   0.722   3.783   1.497
  410   2HB   GLN  44           HB1      GLN  44   1.509   3.853  -0.071
  411   1HG   GLN  44           HG2      GLN  44   1.503   6.067   1.965
  412   2HG   GLN  44           HG1      GLN  44   2.819   4.925   1.705
  413   1HE2  GLN  44          HE21      GLN  44   3.106   7.692   1.522
  414   2HE2  GLN  44          HE22      GLN  44   3.476   8.100  -0.122
  415    H    VAL  45           HN       VAL  45  -1.370   4.017   2.071
  416    HA   VAL  45           HA       VAL  45  -2.457   1.688   1.339
  417    HB   VAL  45           HB       VAL  45  -4.358   2.141   2.872
  418   1HG1  VAL  45          HG11      VAL  45  -1.612   1.992   3.390
  419   2HG1  VAL  45          HG12      VAL  45  -2.934   1.607   4.493
  420   3HG1  VAL  45          HG13      VAL  45  -2.241   3.228   4.478
  421   1HG2  VAL  45          HG21      VAL  45  -4.167   4.358   4.120
  422   2HG2  VAL  45          HG22      VAL  45  -4.876   4.408   2.506
  423   3HG2  VAL  45          HG23      VAL  45  -3.204   4.914   2.751
  424    H    ARG  46           HN       ARG  46  -3.691   4.819   0.313
  425    HA   ARG  46           HA       ARG  46  -6.038   3.649  -0.886
  426   1HB   ARG  46           HB2      ARG  46  -6.254   6.035  -1.835
  427   2HB   ARG  46           HB1      ARG  46  -6.485   5.792  -0.116
  428   1HG   ARG  46           HG2      ARG  46  -4.842   7.193   0.368
  429   2HG   ARG  46           HG1      ARG  46  -3.728   6.344  -0.700
  430   1HD   ARG  46           HD2      ARG  46  -4.177   8.789  -1.222
  431   2HD   ARG  46           HD1      ARG  46  -4.339   7.648  -2.555
  432    HE   ARG  46           HE       ARG  46  -6.543   8.213  -2.700
  433   1HH1  ARG  46          HH11      ARG  46  -5.378   9.133   0.459
  434   2HH1  ARG  46          HH12      ARG  46  -6.852   9.923   0.909
  435   1HH2  ARG  46          HH21      ARG  46  -8.482   9.253  -2.108
  436   2HH2  ARG  46          HH22      ARG  46  -8.614   9.991  -0.547
  437    H    VAL  47           HN       VAL  47  -3.190   5.417  -2.154
  438    HA   VAL  47           HA       VAL  47  -3.742   4.764  -4.869
  439    HB   VAL  47           HB       VAL  47  -1.513   5.629  -5.348
  440   1HG1  VAL  47          HG11      VAL  47  -2.443   7.472  -3.212
  441   2HG1  VAL  47          HG12      VAL  47  -3.569   7.079  -4.511
  442   3HG1  VAL  47          HG13      VAL  47  -2.007   7.808  -4.888
  443   1HG2  VAL  47          HG21      VAL  47  -0.159   6.462  -3.341
  444   2HG2  VAL  47          HG22      VAL  47  -0.155   4.725  -3.654
  445   3HG2  VAL  47          HG23      VAL  47  -1.169   5.388  -2.374
  446    H    TRP  48           HN       TRP  48  -1.578   3.454  -2.430
  447    HA   TRP  48           HA       TRP  48  -0.248   1.586  -4.037
  448   1HB   TRP  48           HB2      TRP  48  -0.170   2.449  -1.374
  449   2HB   TRP  48           HB1      TRP  48  -0.486   0.723  -1.284
  450    HD1  TRP  48           HD1      TRP  48   2.167   3.252  -2.318
  451    HE1  TRP  48           HE1      TRP  48   4.402   2.029  -2.680
  452    HE3  TRP  48           HE3      TRP  48   0.521  -1.576  -1.966
  453    HZ2  TRP  48           HZ2      TRP  48   5.344  -0.626  -2.801
  454    HZ3  TRP  48           HZ3      TRP  48   2.155  -3.396  -2.218
  455    HH2  TRP  48           HH2      TRP  48   4.515  -2.931  -2.627
  456    H    PHE  49           HN       PHE  49  -2.950   1.066  -1.728
  457    HA   PHE  49           HA       PHE  49  -3.363  -1.628  -2.458
  458   1HB   PHE  49           HB2      PHE  49  -5.318   0.344  -1.254
  459   2HB   PHE  49           HB1      PHE  49  -5.567  -1.391  -1.353
  460    HD1  PHE  49           HD1      PHE  49  -2.364  -1.653  -0.719
  461    HD2  PHE  49           HD2      PHE  49  -5.779   0.041   1.174
  462    HE1  PHE  49           HE1      PHE  49  -1.285  -1.930   1.477
  463    HE2  PHE  49           HE2      PHE  49  -4.706  -0.229   3.367
  464    HZ   PHE  49           HZ       PHE  49  -2.461  -1.216   3.524
  465    H    ILE  50           HN       ILE  50  -4.166   1.324  -4.032
  466    HA   ILE  50           HA       ILE  50  -6.474   0.488  -5.425
  467    HB   ILE  50           HB       ILE  50  -4.542   2.709  -5.684
  468   1HG1  ILE  50          HG12      ILE  50  -6.757   2.776  -4.487
  469   2HG1  ILE  50          HG11      ILE  50  -6.527   4.043  -5.687
  470   1HG2  ILE  50          HG21      ILE  50  -5.608   3.372  -7.901
  471   2HG2  ILE  50          HG22      ILE  50  -6.086   1.680  -8.046
  472   3HG2  ILE  50          HG23      ILE  50  -4.378   2.109  -7.949
  473   1HD1  ILE  50          HD11      ILE  50  -8.025   1.499  -6.242
  474   2HD1  ILE  50          HD12      ILE  50  -7.976   2.966  -7.219
  475   3HD1  ILE  50          HD13      ILE  50  -8.789   2.976  -5.654
  476    H    ASN  51           HN       ASN  51  -3.070   0.615  -6.489
  477    HA   ASN  51           HA       ASN  51  -3.629  -0.893  -8.869
  478   1HB   ASN  51           HB2      ASN  51  -1.158   0.236  -7.602
  479   2HB   ASN  51           HB1      ASN  51  -1.008  -0.950  -8.894
  480   1HD2  ASN  51          HD21      ASN  51  -2.105   2.244  -8.043
  481   2HD2  ASN  51          HD22      ASN  51  -2.226   2.849  -9.664
  482    H    LYS  52           HN       LYS  52  -2.341  -1.562  -5.674
  483    HA   LYS  52           HA       LYS  52  -1.583  -4.264  -6.339
  484   1HB   LYS  52           HB2      LYS  52  -1.513  -2.567  -3.886
  485   2HB   LYS  52           HB1      LYS  52  -1.441  -4.313  -3.687
  486   1HG   LYS  52           HG2      LYS  52   0.475  -2.559  -5.211
  487   2HG   LYS  52           HG1      LYS  52   0.791  -3.468  -3.734
  488   1HD   LYS  52           HD2      LYS  52   0.206  -5.548  -5.113
  489   2HD   LYS  52           HD1      LYS  52   0.379  -4.502  -6.524
  490   1HE   LYS  52           HE2      LYS  52   2.631  -4.337  -6.295
  491   2HE   LYS  52           HE1      LYS  52   2.568  -4.426  -4.535
  492   1HZ   LYS  52           HZ1      LYS  52   1.847  -6.828  -6.035
  493   2HZ   LYS  52           HZ2      LYS  52   2.648  -6.680  -4.553
  494   3HZ   LYS  52           HZ3      LYS  52   3.483  -6.399  -5.997
  495    H    ARG  53           HN       ARG  53  -4.432  -2.664  -5.309
  496    HA   ARG  53           HA       ARG  53  -5.791  -5.233  -5.108
  497   1HB   ARG  53           HB2      ARG  53  -5.165  -4.512  -2.783
  498   2HB   ARG  53           HB1      ARG  53  -6.179  -3.097  -3.013
  499   1HG   ARG  53           HG2      ARG  53  -7.751  -5.308  -3.733
  500   2HG   ARG  53           HG1      ARG  53  -6.941  -5.733  -2.229
  501   1HD   ARG  53           HD2      ARG  53  -8.666  -3.324  -2.767
  502   2HD   ARG  53           HD1      ARG  53  -9.026  -4.677  -1.697
  503    HE   ARG  53           HE       ARG  53  -6.725  -3.663  -0.685
  504   1HH1  ARG  53          HH11      ARG  53  -9.819  -2.264  -1.491
  505   2HH1  ARG  53          HH12      ARG  53  -9.727  -1.044  -0.265
  506   1HH2  ARG  53          HH21      ARG  53  -6.604  -2.062   0.929
  507   2HH2  ARG  53          HH22      ARG  53  -7.902  -0.929   1.109
  508    H    MET  54           HN       MET  54  -5.925  -3.466  -7.251
  509    HA   MET  54           HA       MET  54  -8.035  -1.609  -7.098
  510   1HB   MET  54           HB2      MET  54  -6.225  -2.301  -9.016
  511   2HB   MET  54           HB1      MET  54  -7.697  -2.995  -9.681
  512   1HG   MET  54           HG2      MET  54  -8.638  -0.589  -9.042
  513   2HG   MET  54           HG1      MET  54  -6.943  -0.167  -9.274
  514   1HE   MET  54           HE1      MET  54  -6.821   1.229 -11.215
  515   2HE   MET  54           HE2      MET  54  -8.571   1.448 -11.242
  516   3HE   MET  54           HE3      MET  54  -7.711   1.041 -12.727
  517    H    ARG  55           HN       ARG  55  -9.389  -3.084  -5.696
  518    HA   ARG  55           HA       ARG  55 -10.773  -5.258  -6.912
  519   1HB   ARG  55           HB2      ARG  55 -11.197  -3.696  -4.373
  520   2HB   ARG  55           HB1      ARG  55 -12.284  -4.986  -4.869
  521   1HG   ARG  55           HG2      ARG  55  -9.467  -5.748  -4.922
  522   2HG   ARG  55           HG1      ARG  55 -10.053  -5.288  -3.323
  523   1HD   ARG  55           HD2      ARG  55 -10.383  -7.639  -3.574
  524   2HD   ARG  55           HD1      ARG  55 -11.963  -6.860  -3.654
  525    HE   ARG  55           HE       ARG  55 -12.171  -7.571  -5.822
  526   1HH1  ARG  55          HH11      ARG  55  -8.845  -7.928  -4.826
  527   2HH1  ARG  55          HH12      ARG  55  -8.387  -8.818  -6.239
  528   1HH2  ARG  55          HH21      ARG  55 -11.569  -8.743  -7.681
  529   2HH2  ARG  55          HH22      ARG  55  -9.932  -9.280  -7.860
  530    H    SER  56           HN       SER  56 -11.860  -2.037  -5.853
  531    HA   SER  56           HA       SER  56 -13.795  -0.901  -6.311
  532   1HB   SER  56           HB2      SER  56 -12.109  -0.190  -7.957
  533   2HB   SER  56           HB1      SER  56 -12.726  -1.384  -9.097
  534    HG   SER  56           HG       SER  56 -14.381   0.603  -7.947
  535    H    LYS  57           HN       LYS  57 -14.010  -2.651  -9.369
  536    HA   LYS  57           HA       LYS  57 -15.713  -3.826 -10.311
  537   1HB   LYS  57           HB2      LYS  57 -14.984  -5.536  -8.730
  538   2HB   LYS  57           HB1      LYS  57 -15.999  -4.839  -7.475
  539   1HG   LYS  57           HG2      LYS  57 -17.890  -5.760  -8.301
  540   2HG   LYS  57           HG1      LYS  57 -17.357  -5.622  -9.977
  541   1HD   LYS  57           HD2      LYS  57 -15.812  -7.500  -8.323
  542   2HD   LYS  57           HD1      LYS  57 -17.495  -7.953  -8.596
  543   1HE   LYS  57           HE2      LYS  57 -16.831  -8.784 -10.553
  544   2HE   LYS  57           HE1      LYS  57 -16.616  -7.117 -11.085
  545   1HZ   LYS  57           HZ1      LYS  57 -14.523  -8.795  -9.808
  546   2HZ   LYS  57           HZ2      LYS  57 -14.322  -7.209 -10.359
  547   3HZ   LYS  57           HZ3      LYS  57 -14.632  -8.453 -11.462
  Start of MODEL   18
    1   1H    LYS  -3           HT1      LYS  -3   4.974  -5.100 -16.341
    2   2H    LYS  -3           HT2      LYS  -3   3.924  -6.345 -15.801
    3   3H    LYS  -3           HT3      LYS  -3   3.397  -4.712 -15.792
    4    HA   LYS  -3           HA       LYS  -3   2.677  -6.324 -17.640
    5   1HB   LYS  -3           HB2      LYS  -3   2.130  -3.929 -17.436
    6   2HB   LYS  -3           HB1      LYS  -3   3.684  -3.514 -18.145
    7   1HG   LYS  -3           HG2      LYS  -3   3.057  -4.185 -20.255
    8   2HG   LYS  -3           HG1      LYS  -3   1.807  -5.274 -19.650
    9   1HD   LYS  -3           HD2      LYS  -3   1.378  -2.458 -18.969
   10   2HD   LYS  -3           HD1      LYS  -3   1.359  -2.792 -20.701
   11   1HE   LYS  -3           HE2      LYS  -3  -0.195  -4.507 -18.801
   12   2HE   LYS  -3           HE1      LYS  -3  -0.847  -2.962 -19.347
   13   1HZ   LYS  -3           HZ1      LYS  -3  -0.255  -5.378 -20.927
   14   2HZ   LYS  -3           HZ2      LYS  -3  -0.309  -3.863 -21.675
   15   3HZ   LYS  -3           HZ3      LYS  -3  -1.675  -4.460 -20.877
   16    H    LYS  -2           HN       LYS  -2   4.868  -7.690 -17.499
   17    HA   LYS  -2           HA       LYS  -2   6.539  -8.688 -18.675
   18   1HB   LYS  -2           HB2      LYS  -2   5.337  -7.135 -20.974
   19   2HB   LYS  -2           HB1      LYS  -2   6.501  -8.444 -21.135
   20   1HG   LYS  -2           HG2      LYS  -2   3.923  -8.904 -19.702
   21   2HG   LYS  -2           HG1      LYS  -2   3.980  -8.920 -21.466
   22   1HD   LYS  -2           HD2      LYS  -2   5.713 -10.652 -21.388
   23   2HD   LYS  -2           HD1      LYS  -2   5.647 -10.637 -19.624
   24   1HE   LYS  -2           HE2      LYS  -2   3.261 -11.232 -21.362
   25   2HE   LYS  -2           HE1      LYS  -2   4.351 -12.481 -20.762
   26   1HZ   LYS  -2           HZ1      LYS  -2   3.158 -10.589 -18.857
   27   2HZ   LYS  -2           HZ2      LYS  -2   3.652 -12.188 -18.615
   28   3HZ   LYS  -2           HZ3      LYS  -2   2.214 -11.864 -19.445
   29    H    GLU  -1           HN       GLU  -1   7.075  -6.200 -17.332
   30    HA   GLU  -1           HA       GLU  -1   9.601  -5.593 -18.567
   31   1HB   GLU  -1           HB2      GLU  -1   7.443  -3.998 -19.300
   32   2HB   GLU  -1           HB1      GLU  -1   8.255  -3.064 -18.052
   33   1HG   GLU  -1           HG2      GLU  -1   9.204  -2.373 -20.078
   34   2HG   GLU  -1           HG1      GLU  -1  10.393  -3.447 -19.345
   35    H    LYS   0           HN       LYS   0   7.480  -3.777 -16.355
   36    HA   LYS   0           HA       LYS   0   7.737  -3.131 -14.189
   37   1HB   LYS   0           HB2      LYS   0   7.843  -5.671 -13.956
   38   2HB   LYS   0           HB1      LYS   0   9.589  -5.487 -13.853
   39   1HG   LYS   0           HG2      LYS   0   9.498  -4.460 -11.796
   40   2HG   LYS   0           HG1      LYS   0   7.837  -3.910 -12.027
   41   1HD   LYS   0           HD2      LYS   0   8.436  -6.836 -11.881
   42   2HD   LYS   0           HD1      LYS   0   8.337  -5.883 -10.399
   43   1HE   LYS   0           HE2      LYS   0   6.191  -6.176 -12.499
   44   2HE   LYS   0           HE1      LYS   0   6.189  -6.893 -10.888
   45   1HZ   LYS   0           HZ1      LYS   0   5.688  -4.129 -11.695
   46   2HZ   LYS   0           HZ2      LYS   0   6.467  -4.375 -10.213
   47   3HZ   LYS   0           HZ3      LYS   0   4.944  -5.056 -10.490
   48    H    SER   1           HN       SER   1   8.817  -1.250 -14.149
   49    HA   SER   1           HA       SER   1  11.450  -1.099 -13.228
   50   1HB   SER   1           HB2      SER   1  12.025   0.166 -15.638
   51   2HB   SER   1           HB1      SER   1  12.642  -1.400 -15.110
   52    HG   SER   1           HG       SER   1  11.381  -2.363 -16.496
   53    HA   PRO   2           HA       PRO   2  10.055   3.356 -14.461
   54   1HB   PRO   2           HB2      PRO   2   7.747   3.612 -15.881
   55   2HB   PRO   2           HB1      PRO   2   9.336   3.459 -16.640
   56   1HG   PRO   2           HG2      PRO   2   7.250   1.362 -16.175
   57   2HG   PRO   2           HG1      PRO   2   8.227   1.664 -17.624
   58   1HD   PRO   2           HD2      PRO   2   8.832  -0.294 -15.874
   59   2HD   PRO   2           HD1      PRO   2  10.089   0.614 -16.740
   60    H    LYS   3           HN       LYS   3   7.688   4.639 -14.222
   61    HA   LYS   3           HA       LYS   3   5.982   5.161 -12.810
   62   1HB   LYS   3           HB2      LYS   3   5.170   2.857 -13.476
   63   2HB   LYS   3           HB1      LYS   3   5.920   2.251 -12.005
   64   1HG   LYS   3           HG2      LYS   3   4.295   4.476 -11.315
   65   2HG   LYS   3           HG1      LYS   3   3.352   3.397 -12.344
   66   1HD   LYS   3           HD2      LYS   3   4.947   2.099 -10.225
   67   2HD   LYS   3           HD1      LYS   3   3.595   3.092  -9.676
   68   1HE   LYS   3           HE2      LYS   3   2.023   1.785 -10.795
   69   2HE   LYS   3           HE1      LYS   3   3.234   1.071 -11.859
   70   1HZ   LYS   3           HZ1      LYS   3   3.505   0.576  -8.994
   71   2HZ   LYS   3           HZ2      LYS   3   3.846  -0.439 -10.304
   72   3HZ   LYS   3           HZ3      LYS   3   2.247  -0.219  -9.798
   73    H    GLY   4           HN       GLY   4   7.289   6.415 -11.481
   74   1HA   GLY   4           HA2      GLY   4   8.016   7.069  -9.392
   75   2HA   GLY   4           HA1      GLY   4   7.490   5.512  -8.774
   76    H    LYS   5           HN       LYS   5   9.878   6.910  -8.045
   77    HA   LYS   5           HA       LYS   5  11.833   4.869  -8.827
   78   1HB   LYS   5           HB2      LYS   5  12.518   7.803  -8.611
   79   2HB   LYS   5           HB1      LYS   5  13.584   6.497  -9.114
   80   1HG   LYS   5           HG2      LYS   5  13.061   7.176 -11.180
   81   2HG   LYS   5           HG1      LYS   5  11.583   6.246 -10.921
   82   1HD   LYS   5           HD2      LYS   5  10.657   8.433  -9.908
   83   2HD   LYS   5           HD1      LYS   5  12.009   9.208 -10.736
   84   1HE   LYS   5           HE2      LYS   5  10.295   7.330 -12.278
   85   2HE   LYS   5           HE1      LYS   5   9.647   8.923 -11.891
   86   1HZ   LYS   5           HZ1      LYS   5  12.346   8.821 -12.995
   87   2HZ   LYS   5           HZ2      LYS   5  11.114   9.950 -13.252
   88   3HZ   LYS   5           HZ3      LYS   5  11.076   8.461 -14.053
   89    H    SER   6           HN       SER   6  13.594   4.613  -7.306
   90    HA   SER   6           HA       SER   6  14.394   4.277  -5.206
   91   1HB   SER   6           HB2      SER   6  14.710   6.168  -3.874
   92   2HB   SER   6           HB1      SER   6  14.491   6.870  -5.477
   93    HG   SER   6           HG       SER   6  12.663   7.730  -4.853
   94    H    SER   7           HN       SER   7  12.054   2.966  -5.680
   95    HA   SER   7           HA       SER   7   9.987   3.446  -3.833
   96   1HB   SER   7           HB2      SER   7   9.557   2.019  -5.718
   97   2HB   SER   7           HB1      SER   7  10.846   0.913  -5.245
   98    HG   SER   7           HG       SER   7   9.463  -0.065  -4.018
   99    H    ILE   8           HN       ILE   8   9.385   1.918  -2.050
  100    HA   ILE   8           HA       ILE   8  11.362   1.936  -0.054
  101    HB   ILE   8           HB       ILE   8   8.789   1.869   0.189
  102   1HG1  ILE   8          HG12      ILE   8  10.159   0.023   2.108
  103   2HG1  ILE   8          HG11      ILE   8  10.696   1.695   1.978
  104   1HG2  ILE   8          HG21      ILE   8   8.993  -0.555  -0.997
  105   2HG2  ILE   8          HG22      ILE   8   7.646  -0.061   0.029
  106   3HG2  ILE   8          HG23      ILE   8   8.963  -1.019   0.704
  107   1HD1  ILE   8          HD11      ILE   8   8.448   2.459   2.528
  108   2HD1  ILE   8          HD12      ILE   8   9.104   1.413   3.787
  109   3HD1  ILE   8          HD13      ILE   8   7.909   0.786   2.652
  110    H    SER   9           HN       SER   9  12.013  -0.033   1.210
  111    HA   SER   9           HA       SER   9  13.622  -1.727  -0.283
  112   1HB   SER   9           HB2      SER   9  12.769  -3.009   2.170
  113   2HB   SER   9           HB1      SER   9  14.337  -2.303   1.773
  114    HG   SER   9           HG       SER   9  12.086  -1.074   2.946
  115    HA   PRO  10           HA       PRO  10  11.371  -5.327  -1.657
  116   1HB   PRO  10           HB2      PRO  10  11.687  -7.300   0.296
  117   2HB   PRO  10           HB1      PRO  10  12.779  -7.018  -1.064
  118   1HG   PRO  10           HG2      PRO  10  12.982  -6.067   1.764
  119   2HG   PRO  10           HG1      PRO  10  14.261  -6.674   0.690
  120   1HD   PRO  10           HD2      PRO  10  14.023  -4.077   1.132
  121   2HD   PRO  10           HD1      PRO  10  14.366  -4.659  -0.509
  122    H    GLN  11           HN       GLN  11  10.941  -4.312   1.628
  123    HA   GLN  11           HA       GLN  11   8.647  -5.597   2.441
  124   1HB   GLN  11           HB2      GLN  11   9.493  -2.730   2.881
  125   2HB   GLN  11           HB1      GLN  11   8.195  -3.521   3.766
  126   1HG   GLN  11           HG2      GLN  11   9.624  -4.496   5.157
  127   2HG   GLN  11           HG1      GLN  11  10.635  -5.070   3.834
  128   1HE2  GLN  11          HE21      GLN  11   9.868  -1.707   4.502
  129   2HE2  GLN  11          HE22      GLN  11  11.478  -1.232   4.928
  130    H    ALA  12           HN       ALA  12   9.012  -3.156  -0.025
  131    HA   ALA  12           HA       ALA  12   6.575  -1.980  -0.240
  132   1HB   ALA  12           HB1      ALA  12   7.384  -3.036  -2.824
  133   2HB   ALA  12           HB2      ALA  12   8.731  -2.332  -1.931
  134   3HB   ALA  12           HB3      ALA  12   7.295  -1.366  -2.264
  135    H    ARG  13           HN       ARG  13   7.379  -5.086  -1.761
  136    HA   ARG  13           HA       ARG  13   4.593  -5.742  -2.155
  137   1HB   ARG  13           HB2      ARG  13   5.420  -7.727  -3.257
  138   2HB   ARG  13           HB1      ARG  13   6.379  -6.354  -3.797
  139   1HG   ARG  13           HG2      ARG  13   7.873  -7.171  -1.718
  140   2HG   ARG  13           HG1      ARG  13   7.165  -8.710  -2.210
  141   1HD   ARG  13           HD2      ARG  13   8.011  -7.307  -4.542
  142   2HD   ARG  13           HD1      ARG  13   9.333  -7.296  -3.373
  143    HE   ARG  13           HE       ARG  13   9.588  -9.549  -3.692
  144   1HH1  ARG  13          HH11      ARG  13   6.514  -8.561  -5.014
  145   2HH1  ARG  13          HH12      ARG  13   6.198 -10.095  -5.753
  146   1HH2  ARG  13          HH21      ARG  13   9.176 -11.567  -4.663
  147   2HH2  ARG  13          HH22      ARG  13   7.708 -11.803  -5.553
  148    H    ALA  14           HN       ALA  14   7.226  -6.599   0.008
  149    HA   ALA  14           HA       ALA  14   6.055  -8.878   1.175
  150   1HB   ALA  14           HB1      ALA  14   8.471  -7.609   1.379
  151   2HB   ALA  14           HB2      ALA  14   7.941  -8.965   2.374
  152   3HB   ALA  14           HB3      ALA  14   7.754  -7.314   2.963
  153    H    PHE  15           HN       PHE  15   6.276  -5.554   2.473
  154    HA   PHE  15           HA       PHE  15   4.619  -5.999   4.666
  155   1HB   PHE  15           HB2      PHE  15   4.738  -3.727   5.064
  156   2HB   PHE  15           HB1      PHE  15   6.155  -3.966   4.065
  157    HD1  PHE  15           HD1      PHE  15   6.548  -2.376   2.477
  158    HD2  PHE  15           HD2      PHE  15   2.521  -3.178   3.585
  159    HE1  PHE  15           HE1      PHE  15   5.776  -0.605   0.954
  160    HE2  PHE  15           HE2      PHE  15   1.744  -1.420   2.058
  161    HZ   PHE  15           HZ       PHE  15   3.372  -0.128   0.739
  162    H    LEU  16           HN       LEU  16   3.856  -4.876   1.399
  163    HA   LEU  16           HA       LEU  16   1.077  -4.550   1.875
  164   1HB   LEU  16           HB2      LEU  16   2.602  -3.717  -0.079
  165   2HB   LEU  16           HB1      LEU  16   2.165  -5.243  -0.822
  166    HG   LEU  16           HG       LEU  16   0.651  -3.680  -1.696
  167   1HD1  LEU  16          HD11      LEU  16  -0.337  -5.805  -0.668
  168   2HD1  LEU  16          HD12      LEU  16  -1.443  -4.491  -1.067
  169   3HD1  LEU  16          HD13      LEU  16  -0.945  -4.746   0.605
  170   1HD2  LEU  16          HD21      LEU  16  -0.503  -2.015  -0.438
  171   2HD2  LEU  16          HD22      LEU  16   1.209  -1.921  -0.025
  172   3HD2  LEU  16          HD23      LEU  16   0.075  -2.692   1.084
  173    H    GLU  17           HN       GLU  17   3.098  -7.214   0.828
  174    HA   GLU  17           HA       GLU  17   1.237  -9.028  -0.098
  175   1HB   GLU  17           HB2      GLU  17   3.924  -9.149   1.056
  176   2HB   GLU  17           HB1      GLU  17   2.973 -10.588   1.407
  177   1HG   GLU  17           HG2      GLU  17   2.944 -11.266  -0.749
  178   2HG   GLU  17           HG1      GLU  17   2.937  -9.622  -1.384
  179    H    GLN  18           HN       GLN  18   2.507  -9.011   3.217
  180    HA   GLN  18           HA       GLN  18   0.519 -10.648   4.307
  181   1HB   GLN  18           HB2      GLN  18   1.240  -9.476   6.505
  182   2HB   GLN  18           HB1      GLN  18   2.417 -10.446   5.634
  183   1HG   GLN  18           HG2      GLN  18   3.787  -8.717   5.508
  184   2HG   GLN  18           HG1      GLN  18   2.562  -7.780   4.659
  185   1HE2  GLN  18          HE21      GLN  18   2.678  -5.839   5.586
  186   2HE2  GLN  18          HE22      GLN  18   2.516  -5.531   7.284
  187    H    VAL  19           HN       VAL  19   0.653  -7.175   3.801
  188    HA   VAL  19           HA       VAL  19  -1.512  -6.374   5.385
  189    HB   VAL  19           HB       VAL  19  -0.366  -5.250   2.833
  190   1HG1  VAL  19          HG11      VAL  19  -2.527  -4.427   2.646
  191   2HG1  VAL  19          HG12      VAL  19  -1.687  -3.150   3.524
  192   3HG1  VAL  19          HG13      VAL  19  -2.727  -4.277   4.393
  193   1HG2  VAL  19          HG21      VAL  19   0.565  -5.186   5.392
  194   2HG2  VAL  19          HG22      VAL  19  -0.326  -3.668   5.288
  195   3HG2  VAL  19          HG23      VAL  19   0.960  -4.014   4.138
  196    H    PHE  20           HN       PHE  20  -1.481  -7.026   1.882
  197    HA   PHE  20           HA       PHE  20  -4.309  -7.028   1.639
  198   1HB   PHE  20           HB2      PHE  20  -2.685  -6.549  -0.212
  199   2HB   PHE  20           HB1      PHE  20  -2.292  -8.263  -0.243
  200    HD1  PHE  20           HD1      PHE  20  -2.959  -8.626  -2.497
  201    HD2  PHE  20           HD2      PHE  20  -5.703  -6.992   0.316
  202    HE1  PHE  20           HE1      PHE  20  -4.805  -9.016  -4.076
  203    HE2  PHE  20           HE2      PHE  20  -7.554  -7.384  -1.256
  204    HZ   PHE  20           HZ       PHE  20  -7.106  -8.398  -3.455
  205    H    ARG  21           HN       ARG  21  -2.141  -9.329   2.852
  206    HA   ARG  21           HA       ARG  21  -3.698 -11.649   2.101
  207   1HB   ARG  21           HB2      ARG  21  -1.065 -11.270   2.786
  208   2HB   ARG  21           HB1      ARG  21  -1.727 -11.973   4.249
  209   1HG   ARG  21           HG2      ARG  21  -1.631 -13.986   3.337
  210   2HG   ARG  21           HG1      ARG  21  -2.703 -13.461   2.036
  211   1HD   ARG  21           HD2      ARG  21  -0.997 -13.135   0.579
  212   2HD   ARG  21           HD1      ARG  21   0.119 -12.611   1.837
  213    HE   ARG  21           HE       ARG  21  -0.293 -15.305   0.882
  214   1HH1  ARG  21          HH11      ARG  21   0.948 -13.304   3.460
  215   2HH1  ARG  21          HH12      ARG  21   2.014 -14.525   4.063
  216   1HH2  ARG  21          HH21      ARG  21   1.110 -16.912   1.675
  217   2HH2  ARG  21          HH22      ARG  21   2.108 -16.574   3.050
  218    H    ARG  22           HN       ARG  22  -3.185  -9.632   4.939
  219    HA   ARG  22           HA       ARG  22  -4.538 -11.220   6.821
  220   1HB   ARG  22           HB2      ARG  22  -4.016  -8.258   6.640
  221   2HB   ARG  22           HB1      ARG  22  -4.856  -8.976   8.004
  222   1HG   ARG  22           HG2      ARG  22  -2.089  -9.750   7.117
  223   2HG   ARG  22           HG1      ARG  22  -2.447  -8.596   8.402
  224   1HD   ARG  22           HD2      ARG  22  -3.669 -10.364   9.608
  225   2HD   ARG  22           HD1      ARG  22  -3.231 -11.506   8.339
  226    HE   ARG  22           HE       ARG  22  -1.017 -10.155   9.630
  227   1HH1  ARG  22          HH11      ARG  22  -3.064 -12.984   9.554
  228   2HH1  ARG  22          HH12      ARG  22  -1.925 -13.984  10.390
  229   1HH2  ARG  22          HH21      ARG  22   0.479 -11.470  10.734
  230   2HH2  ARG  22          HH22      ARG  22   0.084 -13.125  11.061
  231    H    LYS  23           HN       LYS  23  -5.629  -8.811   4.528
  232    HA   LYS  23           HA       LYS  23  -8.314  -9.812   4.620
  233   1HB   LYS  23           HB2      LYS  23  -9.463  -7.973   5.484
  234   2HB   LYS  23           HB1      LYS  23  -8.088  -8.119   6.568
  235   1HG   LYS  23           HG2      LYS  23  -8.578  -6.097   4.410
  236   2HG   LYS  23           HG1      LYS  23  -8.295  -5.825   6.127
  237   1HD   LYS  23           HD2      LYS  23  -6.033  -7.154   5.354
  238   2HD   LYS  23           HD1      LYS  23  -6.412  -6.170   3.943
  239   1HE   LYS  23           HE2      LYS  23  -5.140  -4.692   5.143
  240   2HE   LYS  23           HE1      LYS  23  -6.737  -4.302   5.779
  241   1HZ   LYS  23           HZ1      LYS  23  -4.480  -5.543   7.095
  242   2HZ   LYS  23           HZ2      LYS  23  -5.973  -6.264   7.427
  243   3HZ   LYS  23           HZ3      LYS  23  -5.740  -4.619   7.744
  244    H    GLN  24           HN       GLN  24  -9.605  -7.676   3.426
  245    HA   GLN  24           HA       GLN  24  -8.045  -7.101   1.010
  246   1HB   GLN  24           HB2      GLN  24 -10.893  -8.082   0.938
  247   2HB   GLN  24           HB1      GLN  24  -9.814  -7.833  -0.423
  248   1HG   GLN  24           HG2      GLN  24  -9.148  -9.803   1.723
  249   2HG   GLN  24           HG1      GLN  24 -10.251 -10.227   0.414
  250   1HE2  GLN  24          HE21      GLN  24  -7.159 -10.443   1.384
  251   2HE2  GLN  24          HE22      GLN  24  -6.361 -10.553  -0.150
  252    H    SER  25           HN       SER  25 -10.474  -6.163   3.276
  253    HA   SER  25           HA       SER  25 -11.202  -3.844   1.654
  254   1HB   SER  25           HB2      SER  25 -13.033  -5.210   2.496
  255   2HB   SER  25           HB1      SER  25 -12.485  -4.949   4.151
  256    HG   SER  25           HG       SER  25 -13.789  -3.213   2.405
  257    H    LEU  26           HN       LEU  26  -9.054  -2.907   2.129
  258    HA   LEU  26           HA       LEU  26  -8.433  -2.033   4.774
  259   1HB   LEU  26           HB2      LEU  26  -7.424  -1.184   2.064
  260   2HB   LEU  26           HB1      LEU  26  -6.839  -0.475   3.552
  261    HG   LEU  26           HG       LEU  26  -5.524  -2.415   2.381
  262   1HD1  LEU  26          HD11      LEU  26  -5.948  -2.583   5.352
  263   2HD1  LEU  26          HD12      LEU  26  -5.068  -1.264   4.585
  264   3HD1  LEU  26          HD13      LEU  26  -4.481  -2.920   4.435
  265   1HD2  LEU  26          HD21      LEU  26  -7.418  -3.969   2.301
  266   2HD2  LEU  26          HD22      LEU  26  -7.494  -3.961   4.062
  267   3HD2  LEU  26          HD23      LEU  26  -6.074  -4.610   3.241
  268    H    ASN  27           HN       ASN  27 -10.067  -0.823   5.681
  269    HA   ASN  27           HA       ASN  27 -11.200   1.385   4.161
  270   1HB   ASN  27           HB2      ASN  27 -12.141   1.529   6.820
  271   2HB   ASN  27           HB1      ASN  27 -13.010   0.952   5.406
  272   1HD2  ASN  27          HD21      ASN  27 -11.504   0.125   8.353
  273   2HD2  ASN  27          HD22      ASN  27 -11.821  -1.579   8.300
  274    H    SER  28           HN       SER  28 -11.484   3.503   5.484
  275    HA   SER  28           HA       SER  28  -9.108   4.821   5.684
  276   1HB   SER  28           HB2      SER  28 -11.577   5.683   5.883
  277   2HB   SER  28           HB1      SER  28 -11.285   5.543   7.619
  278    HG   SER  28           HG       SER  28 -10.686   7.577   6.222
  279    H    LYS  29           HN       LYS  29 -10.607   2.785   8.080
  280    HA   LYS  29           HA       LYS  29  -8.848   3.530  10.219
  281   1HB   LYS  29           HB2      LYS  29 -10.858   1.326   9.824
  282   2HB   LYS  29           HB1      LYS  29  -9.866   1.428  11.268
  283   1HG   LYS  29           HG2      LYS  29 -11.964   3.352  10.315
  284   2HG   LYS  29           HG1      LYS  29 -11.932   2.419  11.812
  285   1HD   LYS  29           HD2      LYS  29 -11.154   4.310  12.735
  286   2HD   LYS  29           HD1      LYS  29  -9.618   3.848  12.000
  287   1HE   LYS  29           HE2      LYS  29  -9.836   5.358  10.271
  288   2HE   LYS  29           HE1      LYS  29 -11.597   5.400  10.394
  289   1HZ   LYS  29           HZ1      LYS  29 -11.016   6.444  12.719
  290   2HZ   LYS  29           HZ2      LYS  29 -11.083   7.394  11.322
  291   3HZ   LYS  29           HZ3      LYS  29  -9.589   6.881  11.922
  292    H    GLU  30           HN       GLU  30  -9.194   0.684   8.127
  293    HA   GLU  30           HA       GLU  30  -6.921  -0.659   9.152
  294   1HB   GLU  30           HB2      GLU  30  -8.261  -1.015   6.465
  295   2HB   GLU  30           HB1      GLU  30  -7.172  -2.152   7.246
  296   1HG   GLU  30           HG2      GLU  30  -9.323  -1.560   9.021
  297   2HG   GLU  30           HG1      GLU  30  -9.975  -1.994   7.441
  298    H    LYS  31           HN       LYS  31  -7.512   1.425   6.373
  299    HA   LYS  31           HA       LYS  31  -5.028   1.187   5.139
  300   1HB   LYS  31           HB2      LYS  31  -5.735   2.900   3.799
  301   2HB   LYS  31           HB1      LYS  31  -7.274   2.455   4.515
  302   1HG   LYS  31           HG2      LYS  31  -7.103   4.258   6.109
  303   2HG   LYS  31           HG1      LYS  31  -5.499   4.670   5.496
  304   1HD   LYS  31           HD2      LYS  31  -6.383   5.347   3.399
  305   2HD   LYS  31           HD1      LYS  31  -7.974   4.686   3.787
  306   1HE   LYS  31           HE2      LYS  31  -8.396   6.865   4.271
  307   2HE   LYS  31           HE1      LYS  31  -7.728   6.379   5.830
  308   1HZ   LYS  31           HZ1      LYS  31  -6.493   7.987   3.703
  309   2HZ   LYS  31           HZ2      LYS  31  -5.503   7.090   4.738
  310   3HZ   LYS  31           HZ3      LYS  31  -6.539   8.268   5.371
  311    H    GLU  32           HN       GLU  32  -6.084   3.133   7.871
  312    HA   GLU  32           HA       GLU  32  -3.513   4.480   8.047
  313   1HB   GLU  32           HB2      GLU  32  -4.488   5.834   9.733
  314   2HB   GLU  32           HB1      GLU  32  -5.731   5.612   8.511
  315   1HG   GLU  32           HG2      GLU  32  -6.917   4.076   9.858
  316   2HG   GLU  32           HG1      GLU  32  -5.580   3.935  10.997
  317    H    GLU  33           HN       GLU  33  -5.372   2.022   9.723
  318    HA   GLU  33           HA       GLU  33  -3.561   1.701  11.904
  319   1HB   GLU  33           HB2      GLU  33  -5.790  -0.013  10.802
  320   2HB   GLU  33           HB1      GLU  33  -4.891  -0.422  12.251
  321   1HG   GLU  33           HG2      GLU  33  -6.054   2.280  12.170
  322   2HG   GLU  33           HG1      GLU  33  -7.195   0.940  12.257
  323    H    VAL  34           HN       VAL  34  -4.011   0.231   8.773
  324    HA   VAL  34           HA       VAL  34  -2.080  -1.868   9.174
  325    HB   VAL  34           HB       VAL  34  -3.488  -0.885   6.677
  326   1HG1  VAL  34          HG11      VAL  34  -2.251  -3.575   6.763
  327   2HG1  VAL  34          HG12      VAL  34  -1.168  -2.201   6.553
  328   3HG1  VAL  34          HG13      VAL  34  -2.480  -2.474   5.407
  329   1HG2  VAL  34          HG21      VAL  34  -5.181  -2.229   7.210
  330   2HG2  VAL  34          HG22      VAL  34  -4.471  -2.329   8.822
  331   3HG2  VAL  34          HG23      VAL  34  -4.100  -3.561   7.616
  332    H    ALA  35           HN       ALA  35  -2.203   1.288   7.613
  333    HA   ALA  35           HA       ALA  35   0.284   1.174   6.314
  334   1HB   ALA  35           HB1      ALA  35   0.053   3.799   6.787
  335   2HB   ALA  35           HB2      ALA  35  -1.611   3.289   7.055
  336   3HB   ALA  35           HB3      ALA  35  -0.821   2.952   5.517
  337    H    LYS  36           HN       LYS  36  -0.591   2.028   9.599
  338    HA   LYS  36           HA       LYS  36   2.102   2.892  10.230
  339   1HB   LYS  36           HB2      LYS  36   1.239   3.530  12.351
  340   2HB   LYS  36           HB1      LYS  36   0.048   3.997  11.147
  341   1HG   LYS  36           HG2      LYS  36  -1.291   2.038  11.687
  342   2HG   LYS  36           HG1      LYS  36  -0.090   1.537  12.878
  343   1HD   LYS  36           HD2      LYS  36  -1.230   4.274  13.106
  344   2HD   LYS  36           HD1      LYS  36  -2.250   2.908  13.564
  345   1HE   LYS  36           HE2      LYS  36  -0.981   3.860  15.464
  346   2HE   LYS  36           HE1      LYS  36  -0.617   2.162  15.165
  347   1HZ   LYS  36           HZ1      LYS  36   1.050   4.386  14.131
  348   2HZ   LYS  36           HZ2      LYS  36   1.430   2.737  14.159
  349   3HZ   LYS  36           HZ3      LYS  36   1.349   3.611  15.604
  350    H    LYS  37           HN       LYS  37   0.286  -0.032  10.389
  351    HA   LYS  37           HA       LYS  37   2.157  -1.156  12.348
  352   1HB   LYS  37           HB2      LYS  37   0.589  -2.849  12.794
  353   2HB   LYS  37           HB1      LYS  37  -0.363  -1.382  12.630
  354   1HG   LYS  37           HG2      LYS  37  -1.608  -2.360  11.087
  355   2HG   LYS  37           HG1      LYS  37  -0.188  -2.585  10.066
  356   1HD   LYS  37           HD2      LYS  37  -0.690  -4.773  10.309
  357   2HD   LYS  37           HD1      LYS  37   0.159  -4.590  11.844
  358   1HE   LYS  37           HE2      LYS  37  -2.687  -3.860  11.898
  359   2HE   LYS  37           HE1      LYS  37  -2.360  -5.564  11.582
  360   1HZ   LYS  37           HZ1      LYS  37  -0.911  -4.289  13.777
  361   2HZ   LYS  37           HZ2      LYS  37  -1.489  -5.873  13.639
  362   3HZ   LYS  37           HZ3      LYS  37  -2.555  -4.616  14.014
  363    H    CYS  38           HN       CYS  38   1.275  -1.311   9.003
  364    HA   CYS  38           HA       CYS  38   2.946  -3.688   8.627
  365   1HB   CYS  38           HB2      CYS  38   1.056  -2.323   6.703
  366   2HB   CYS  38           HB1      CYS  38   1.960  -3.799   6.375
  367    HG   CYS  38           HG       CYS  38   0.461  -5.082   7.988
  368    H    GLY  39           HN       GLY  39   2.804  -0.267   7.939
  369   1HA   GLY  39           HA2      GLY  39   5.026   0.766   7.679
  370   2HA   GLY  39           HA1      GLY  39   5.421  -0.544   6.583
  371    H    ILE  40           HN       ILE  40   2.277   0.943   6.399
  372    HA   ILE  40           HA       ILE  40   3.134   2.251   3.901
  373    HB   ILE  40           HB       ILE  40   0.257   1.987   4.161
  374   1HG1  ILE  40          HG12      ILE  40   1.817  -0.599   4.017
  375   2HG1  ILE  40          HG11      ILE  40   0.893  -0.073   5.416
  376   1HG2  ILE  40          HG21      ILE  40   0.393   1.804   1.937
  377   2HG2  ILE  40          HG22      ILE  40   1.609   0.531   2.020
  378   3HG2  ILE  40          HG23      ILE  40   2.092   2.220   2.155
  379   1HD1  ILE  40          HD11      ILE  40   0.006  -1.437   3.065
  380   2HD1  ILE  40          HD12      ILE  40  -0.860   0.089   3.247
  381   3HD1  ILE  40          HD13      ILE  40  -0.867  -1.091   4.558
  382    H    THR  41           HN       THR  41   0.816   3.847   3.560
  383    HA   THR  41           HA       THR  41   0.560   5.472   5.950
  384    HB   THR  41           HB       THR  41   1.232   7.197   3.706
  385    HG1  THR  41           HG1      THR  41   3.306   5.553   4.716
  386   1HG2  THR  41          HG21      THR  41   1.590   8.468   5.483
  387   2HG2  THR  41          HG22      THR  41   3.100   7.584   5.696
  388   3HG2  THR  41          HG23      THR  41   1.650   7.075   6.563
  389    HA   PRO  42           HA       PRO  42  -3.569   6.290   4.686
  390   1HB   PRO  42           HB2      PRO  42  -2.859   9.187   4.907
  391   2HB   PRO  42           HB1      PRO  42  -4.239   8.314   5.584
  392   1HG   PRO  42           HG2      PRO  42  -2.181   8.982   7.128
  393   2HG   PRO  42           HG1      PRO  42  -2.990   7.416   7.321
  394   1HD   PRO  42           HD2      PRO  42  -0.350   8.049   6.100
  395   2HD   PRO  42           HD1      PRO  42  -0.867   6.602   6.987
  396    H    LEU  43           HN       LEU  43  -0.949   8.012   3.140
  397    HA   LEU  43           HA       LEU  43  -2.560   8.713   0.825
  398   1HB   LEU  43           HB2      LEU  43  -0.507   9.990   1.970
  399   2HB   LEU  43           HB1      LEU  43   0.393   9.026   0.814
  400    HG   LEU  43           HG       LEU  43  -1.643  10.113  -0.716
  401   1HD1  LEU  43          HD11      LEU  43  -1.686  12.467  -0.250
  402   2HD1  LEU  43          HD12      LEU  43  -0.575  12.262   1.103
  403   3HD1  LEU  43          HD13      LEU  43  -2.204  11.591   1.191
  404   1HD2  LEU  43          HD21      LEU  43   0.541   9.906  -1.571
  405   2HD2  LEU  43          HD22      LEU  43   1.226  10.895  -0.281
  406   3HD2  LEU  43          HD23      LEU  43   0.218  11.640  -1.522
  407    H    GLN  44           HN       GLN  44  -0.215   6.339   1.823
  408    HA   GLN  44           HA       GLN  44   0.232   5.347  -0.844
  409   1HB   GLN  44           HB2      GLN  44   0.887   3.759   1.597
  410   2HB   GLN  44           HB1      GLN  44   1.744   3.845   0.068
  411   1HG   GLN  44           HG2      GLN  44   1.643   6.052   2.107
  412   2HG   GLN  44           HG1      GLN  44   2.964   4.900   1.925
  413   1HE2  GLN  44          HE21      GLN  44   2.064   7.939   1.247
  414   2HE2  GLN  44          HE22      GLN  44   3.003   8.231  -0.181
  415    H    VAL  45           HN       VAL  45  -1.215   3.981   2.095
  416    HA   VAL  45           HA       VAL  45  -2.276   1.663   1.324
  417    HB   VAL  45           HB       VAL  45  -4.264   2.130   2.730
  418   1HG1  VAL  45          HG11      VAL  45  -2.941   1.642   4.447
  419   2HG1  VAL  45          HG12      VAL  45  -2.272   3.273   4.452
  420   3HG1  VAL  45          HG13      VAL  45  -1.555   2.030   3.429
  421   1HG2  VAL  45          HG21      VAL  45  -3.195   4.911   2.492
  422   2HG2  VAL  45          HG22      VAL  45  -4.044   4.421   3.958
  423   3HG2  VAL  45          HG23      VAL  45  -4.861   4.340   2.397
  424    H    ARG  46           HN       ARG  46  -3.606   4.814   0.384
  425    HA   ARG  46           HA       ARG  46  -5.831   3.699  -1.002
  426   1HB   ARG  46           HB2      ARG  46  -5.788   6.069  -2.104
  427   2HB   ARG  46           HB1      ARG  46  -6.265   5.884  -0.427
  428   1HG   ARG  46           HG2      ARG  46  -4.544   7.090   0.310
  429   2HG   ARG  46           HG1      ARG  46  -3.410   6.305  -0.785
  430   1HD   ARG  46           HD2      ARG  46  -3.676   8.745  -1.190
  431   2HD   ARG  46           HD1      ARG  46  -4.057   7.743  -2.589
  432    HE   ARG  46           HE       ARG  46  -6.374   8.333  -1.035
  433   1HH1  ARG  46          HH11      ARG  46  -4.209   9.651  -3.436
  434   2HH1  ARG  46          HH12      ARG  46  -5.392  10.736  -4.086
  435   1HH2  ARG  46          HH21      ARG  46  -7.929   9.760  -1.889
  436   2HH2  ARG  46          HH22      ARG  46  -7.502  10.800  -3.207
  437    H    VAL  47           HN       VAL  47  -2.916   5.374  -2.273
  438    HA   VAL  47           HA       VAL  47  -3.351   4.563  -4.948
  439    HB   VAL  47           HB       VAL  47  -1.101   5.311  -5.403
  440   1HG1  VAL  47          HG11      VAL  47  -2.359   7.054  -3.289
  441   2HG1  VAL  47          HG12      VAL  47  -2.804   7.026  -4.995
  442   3HG1  VAL  47          HG13      VAL  47  -1.197   7.572  -4.511
  443   1HG2  VAL  47          HG21      VAL  47  -0.742   5.125  -2.421
  444   2HG2  VAL  47          HG22      VAL  47   0.356   6.033  -3.458
  445   3HG2  VAL  47          HG23      VAL  47   0.169   4.294  -3.681
  446    H    TRP  48           HN       TRP  48  -1.348   3.252  -2.370
  447    HA   TRP  48           HA       TRP  48  -0.069   1.256  -3.840
  448   1HB   TRP  48           HB2      TRP  48  -0.113   2.185  -1.167
  449   2HB   TRP  48           HB1      TRP  48  -0.372   0.449  -1.111
  450    HD1  TRP  48           HD1      TRP  48   2.294   3.029  -1.627
  451    HE1  TRP  48           HE1      TRP  48   4.547   1.877  -2.094
  452    HE3  TRP  48           HE3      TRP  48   0.623  -1.739  -2.337
  453    HZ2  TRP  48           HZ2      TRP  48   5.489  -0.718  -2.688
  454    HZ3  TRP  48           HZ3      TRP  48   2.258  -3.498  -2.852
  455    HH2  TRP  48           HH2      TRP  48   4.644  -3.000  -3.025
  456    H    PHE  49           HN       PHE  49  -2.958   1.030  -1.727
  457    HA   PHE  49           HA       PHE  49  -3.420  -1.708  -2.360
  458   1HB   PHE  49           HB2      PHE  49  -5.290   0.369  -1.204
  459   2HB   PHE  49           HB1      PHE  49  -5.657  -1.345  -1.325
  460    HD1  PHE  49           HD1      PHE  49  -2.805  -2.278  -0.593
  461    HD2  PHE  49           HD2      PHE  49  -5.494   0.518   1.158
  462    HE1  PHE  49           HE1      PHE  49  -1.772  -2.662   1.605
  463    HE2  PHE  49           HE2      PHE  49  -4.460   0.141   3.355
  464    HZ   PHE  49           HZ       PHE  49  -2.599  -1.447   3.582
  465    H    ILE  50           HN       ILE  50  -4.097   1.238  -4.001
  466    HA   ILE  50           HA       ILE  50  -6.407   0.521  -5.421
  467    HB   ILE  50           HB       ILE  50  -4.239   2.506  -5.800
  468   1HG1  ILE  50          HG12      ILE  50  -6.430   2.857  -4.577
  469   2HG1  ILE  50          HG11      ILE  50  -6.037   4.060  -5.802
  470   1HG2  ILE  50          HG21      ILE  50  -5.389   3.144  -8.034
  471   2HG2  ILE  50          HG22      ILE  50  -5.866   1.447  -8.073
  472   3HG2  ILE  50          HG23      ILE  50  -4.157   1.881  -8.026
  473   1HD1  ILE  50          HD11      ILE  50  -7.923   3.650  -6.878
  474   2HD1  ILE  50          HD12      ILE  50  -8.392   2.595  -5.544
  475   3HD1  ILE  50          HD13      ILE  50  -7.569   1.923  -6.952
  476    H    ASN  51           HN       ASN  51  -3.073   0.509  -6.706
  477    HA   ASN  51           HA       ASN  51  -3.724  -1.153  -8.901
  478   1HB   ASN  51           HB2      ASN  51  -1.031  -0.564  -7.656
  479   2HB   ASN  51           HB1      ASN  51  -1.277  -1.329  -9.222
  480   1HD2  ASN  51          HD21      ASN  51  -2.463  -0.079 -10.834
  481   2HD2  ASN  51          HD22      ASN  51  -2.264   1.643 -10.860
  482    H    LYS  52           HN       LYS  52  -2.351  -1.820  -5.712
  483    HA   LYS  52           HA       LYS  52  -1.787  -4.560  -6.217
  484   1HB   LYS  52           HB2      LYS  52  -1.976  -2.849  -3.770
  485   2HB   LYS  52           HB1      LYS  52  -1.908  -4.594  -3.590
  486   1HG   LYS  52           HG2      LYS  52   0.120  -3.159  -5.251
  487   2HG   LYS  52           HG1      LYS  52   0.275  -3.236  -3.497
  488   1HD   LYS  52           HD2      LYS  52   0.702  -5.475  -3.491
  489   2HD   LYS  52           HD1      LYS  52  -0.280  -5.774  -4.928
  490   1HE   LYS  52           HE2      LYS  52   1.509  -4.577  -6.247
  491   2HE   LYS  52           HE1      LYS  52   2.501  -4.631  -4.791
  492   1HZ   LYS  52           HZ1      LYS  52   1.651  -6.825  -6.542
  493   2HZ   LYS  52           HZ2      LYS  52   1.915  -7.155  -4.905
  494   3HZ   LYS  52           HZ3      LYS  52   3.167  -6.524  -5.851
  495    H    ARG  53           HN       ARG  53  -4.347  -3.018  -4.289
  496    HA   ARG  53           HA       ARG  53  -5.898  -5.491  -4.410
  497   1HB   ARG  53           HB2      ARG  53  -5.524  -4.430  -2.206
  498   2HB   ARG  53           HB1      ARG  53  -6.366  -2.997  -2.773
  499   1HG   ARG  53           HG2      ARG  53  -8.051  -5.215  -3.254
  500   2HG   ARG  53           HG1      ARG  53  -7.453  -5.341  -1.600
  501   1HD   ARG  53           HD2      ARG  53  -9.025  -3.131  -2.875
  502   2HD   ARG  53           HD1      ARG  53  -9.404  -4.057  -1.425
  503    HE   ARG  53           HE       ARG  53  -7.239  -2.843  -0.587
  504   1HH1  ARG  53          HH11      ARG  53  -9.831  -1.510  -2.517
  505   2HH1  ARG  53          HH12      ARG  53  -9.600   0.102  -1.935
  506   1HH2  ARG  53          HH21      ARG  53  -6.942  -0.719   0.178
  507   2HH2  ARG  53          HH22      ARG  53  -7.964   0.551  -0.407
  508    H    MET  54           HN       MET  54  -5.672  -3.775  -6.765
  509    HA   MET  54           HA       MET  54  -7.809  -2.080  -7.186
  510   1HB   MET  54           HB2      MET  54  -5.806  -3.072  -8.748
  511   2HB   MET  54           HB1      MET  54  -7.208  -3.862  -9.454
  512   1HG   MET  54           HG2      MET  54  -8.119  -1.903 -10.192
  513   2HG   MET  54           HG1      MET  54  -7.339  -0.940  -8.939
  514   1HE   MET  54           HE1      MET  54  -4.916  -3.161 -11.897
  515   2HE   MET  54           HE2      MET  54  -6.161  -2.408 -12.892
  516   3HE   MET  54           HE3      MET  54  -6.619  -3.440 -11.537
  517    H    ARG  55           HN       ARG  55  -9.610  -2.874  -6.069
  518    HA   ARG  55           HA       ARG  55 -10.776  -5.410  -6.645
  519   1HB   ARG  55           HB2      ARG  55 -11.725  -2.961  -5.175
  520   2HB   ARG  55           HB1      ARG  55 -12.761  -4.363  -5.405
  521   1HG   ARG  55           HG2      ARG  55 -10.074  -4.891  -4.301
  522   2HG   ARG  55           HG1      ARG  55 -11.199  -4.014  -3.261
  523   1HD   ARG  55           HD2      ARG  55 -11.581  -6.253  -2.732
  524   2HD   ARG  55           HD1      ARG  55 -12.882  -5.854  -3.852
  525    HE   ARG  55           HE       ARG  55 -10.601  -6.947  -5.179
  526   1HH1  ARG  55          HH11      ARG  55 -13.461  -7.774  -3.359
  527   2HH1  ARG  55          HH12      ARG  55 -13.592  -9.359  -4.043
  528   1HH2  ARG  55          HH21      ARG  55 -10.770  -9.034  -6.080
  529   2HH2  ARG  55          HH22      ARG  55 -12.062 -10.076  -5.585
  530    H    SER  56           HN       SER  56 -11.332  -2.107  -7.729
  531    HA   SER  56           HA       SER  56 -12.997  -3.167  -9.903
  532   1HB   SER  56           HB2      SER  56 -13.911  -1.506  -7.746
  533   2HB   SER  56           HB1      SER  56 -14.026  -0.607  -9.257
  534    HG   SER  56           HG       SER  56 -15.414  -2.843  -8.409
  535    H    LYS  57           HN       LYS  57 -13.580  -0.824 -11.199
  536    HA   LYS  57           HA       LYS  57 -11.004  -0.165 -12.335
  537   1HB   LYS  57           HB2      LYS  57 -13.856   0.370 -13.081
  538   2HB   LYS  57           HB1      LYS  57 -12.575   1.325 -13.817
  539   1HG   LYS  57           HG2      LYS  57 -12.660  -0.315 -15.357
  540   2HG   LYS  57           HG1      LYS  57 -11.568  -1.113 -14.225
  541   1HD   LYS  57           HD2      LYS  57 -13.191  -2.553 -13.464
  542   2HD   LYS  57           HD1      LYS  57 -14.508  -1.453 -13.872
  543   1HE   LYS  57           HE2      LYS  57 -14.417  -2.012 -16.148
  544   2HE   LYS  57           HE1      LYS  57 -12.821  -2.742 -15.992
  545   1HZ   LYS  57           HZ1      LYS  57 -14.227  -4.267 -14.327
  546   2HZ   LYS  57           HZ2      LYS  57 -14.020  -4.629 -15.966
  547   3HZ   LYS  57           HZ3      LYS  57 -15.438  -3.872 -15.442
  Start of MODEL   19
    1   1H    LYS  -3           HT1      LYS  -3  11.581  11.391  15.030
    2   2H    LYS  -3           HT2      LYS  -3  10.117  11.560  15.907
    3   3H    LYS  -3           HT3      LYS  -3  11.371  10.560  16.514
    4    HA   LYS  -3           HA       LYS  -3  11.070  12.813  17.536
    5   1HB   LYS  -3           HB2      LYS  -3  13.563  13.065  17.668
    6   2HB   LYS  -3           HB1      LYS  -3  12.980  11.439  17.999
    7   1HG   LYS  -3           HG2      LYS  -3  13.468  10.990  15.512
    8   2HG   LYS  -3           HG1      LYS  -3  14.432  12.465  15.592
    9   1HD   LYS  -3           HD2      LYS  -3  16.106  11.185  16.330
   10   2HD   LYS  -3           HD1      LYS  -3  15.203  11.040  17.840
   11   1HE   LYS  -3           HE2      LYS  -3  14.053   9.051  16.898
   12   2HE   LYS  -3           HE1      LYS  -3  15.089   9.171  15.477
   13   1HZ   LYS  -3           HZ1      LYS  -3  15.858   8.514  18.255
   14   2HZ   LYS  -3           HZ2      LYS  -3  17.002   9.028  17.119
   15   3HZ   LYS  -3           HZ3      LYS  -3  16.119   7.611  16.848
   16    H    LYS  -2           HN       LYS  -2  10.263  13.177  14.716
   17    HA   LYS  -2           HA       LYS  -2  10.150  14.825  13.152
   18   1HB   LYS  -2           HB2      LYS  -2   9.879  16.115  15.378
   19   2HB   LYS  -2           HB1      LYS  -2  11.526  16.662  15.092
   20   1HG   LYS  -2           HG2      LYS  -2  10.887  18.134  13.546
   21   2HG   LYS  -2           HG1      LYS  -2   9.803  16.981  12.767
   22   1HD   LYS  -2           HD2      LYS  -2   7.998  17.693  13.930
   23   2HD   LYS  -2           HD1      LYS  -2   8.931  17.993  15.397
   24   1HE   LYS  -2           HE2      LYS  -2   8.207  20.110  14.649
   25   2HE   LYS  -2           HE1      LYS  -2   9.909  19.999  14.206
   26   1HZ   LYS  -2           HZ1      LYS  -2   7.938  19.135  12.228
   27   2HZ   LYS  -2           HZ2      LYS  -2   9.425  19.907  12.004
   28   3HZ   LYS  -2           HZ3      LYS  -2   8.079  20.798  12.509
   29    H    GLU  -1           HN       GLU  -1  11.683  13.756  11.811
   30    HA   GLU  -1           HA       GLU  -1  14.229  15.215  11.614
   31   1HB   GLU  -1           HB2      GLU  -1  13.769  12.270  11.728
   32   2HB   GLU  -1           HB1      GLU  -1  15.049  12.871  10.682
   33   1HG   GLU  -1           HG2      GLU  -1  14.959  13.876  13.469
   34   2HG   GLU  -1           HG1      GLU  -1  15.475  12.211  13.207
   35    H    LYS   0           HN       LYS   0  12.313  12.783   9.838
   36    HA   LYS   0           HA       LYS   0  12.553  14.486   7.448
   37   1HB   LYS   0           HB2      LYS   0  13.792  12.044   7.751
   38   2HB   LYS   0           HB1      LYS   0  12.314  11.617   6.901
   39   1HG   LYS   0           HG2      LYS   0  14.386  13.614   6.017
   40   2HG   LYS   0           HG1      LYS   0  14.075  12.024   5.316
   41   1HD   LYS   0           HD2      LYS   0  11.752  12.811   4.794
   42   2HD   LYS   0           HD1      LYS   0  12.254  14.426   5.299
   43   1HE   LYS   0           HE2      LYS   0  14.102  14.260   3.596
   44   2HE   LYS   0           HE1      LYS   0  13.323  12.792   3.006
   45   1HZ   LYS   0           HZ1      LYS   0  12.350  15.573   2.896
   46   2HZ   LYS   0           HZ2      LYS   0  11.256  14.284   2.823
   47   3HZ   LYS   0           HZ3      LYS   0  12.465  14.434   1.650
   48    H    SER   1           HN       SER   1  10.692  11.979   9.113
   49    HA   SER   1           HA       SER   1   8.453  11.575   9.205
   50   1HB   SER   1           HB2      SER   1   7.760  13.933   7.513
   51   2HB   SER   1           HB1      SER   1   6.986  13.334   8.980
   52    HG   SER   1           HG       SER   1   8.098  14.786   9.992
   53    HA   PRO   2           HA       PRO   2   7.618   9.423   5.452
   54   1HB   PRO   2           HB2      PRO   2   4.958   8.959   5.665
   55   2HB   PRO   2           HB1      PRO   2   6.154   8.130   6.668
   56   1HG   PRO   2           HG2      PRO   2   4.430  10.486   7.332
   57   2HG   PRO   2           HG1      PRO   2   4.811   9.063   8.321
   58   1HD   PRO   2           HD2      PRO   2   6.050  11.455   8.648
   59   2HD   PRO   2           HD1      PRO   2   6.854   9.906   8.967
   60    H    LYS   3           HN       LYS   3   8.042  11.804   4.566
   61    HA   LYS   3           HA       LYS   3   5.626  12.667   3.120
   62   1HB   LYS   3           HB2      LYS   3   7.975  14.151   4.205
   63   2HB   LYS   3           HB1      LYS   3   7.216  14.759   2.741
   64   1HG   LYS   3           HG2      LYS   3   5.221  14.134   4.712
   65   2HG   LYS   3           HG1      LYS   3   6.440  15.218   5.385
   66   1HD   LYS   3           HD2      LYS   3   5.600  15.949   2.685
   67   2HD   LYS   3           HD1      LYS   3   4.282  15.974   3.859
   68   1HE   LYS   3           HE2      LYS   3   5.715  17.378   5.335
   69   2HE   LYS   3           HE1      LYS   3   6.905  17.449   4.037
   70   1HZ   LYS   3           HZ1      LYS   3   5.647  19.387   3.822
   71   2HZ   LYS   3           HZ2      LYS   3   4.178  18.591   4.083
   72   3HZ   LYS   3           HZ3      LYS   3   5.019  18.359   2.634
   73    H    GLY   4           HN       GLY   4   9.029  11.830   2.818
   74   1HA   GLY   4           HA2      GLY   4   9.015  12.253  -0.055
   75   2HA   GLY   4           HA1      GLY   4  10.365  11.674   0.910
   76    H    LYS   5           HN       LYS   5  10.290   9.430   1.646
   77    HA   LYS   5           HA       LYS   5  10.103   7.199   1.249
   78   1HB   LYS   5           HB2      LYS   5   7.672   7.824   1.759
   79   2HB   LYS   5           HB1      LYS   5   7.410   7.761   0.023
   80   1HG   LYS   5           HG2      LYS   5   7.132   5.572   0.129
   81   2HG   LYS   5           HG1      LYS   5   8.754   5.383   0.798
   82   1HD   LYS   5           HD2      LYS   5   6.716   6.327   2.699
   83   2HD   LYS   5           HD1      LYS   5   6.474   4.689   2.090
   84   1HE   LYS   5           HE2      LYS   5   9.058   4.501   2.639
   85   2HE   LYS   5           HE1      LYS   5   8.663   5.794   3.770
   86   1HZ   LYS   5           HZ1      LYS   5   8.497   3.436   4.624
   87   2HZ   LYS   5           HZ2      LYS   5   7.113   3.277   3.666
   88   3HZ   LYS   5           HZ3      LYS   5   7.156   4.430   4.903
   89    H    SER   6           HN       SER   6  11.799   7.656  -0.384
   90    HA   SER   6           HA       SER   6  11.098   7.846  -3.144
   91   1HB   SER   6           HB2      SER   6  13.628   7.434  -1.604
   92   2HB   SER   6           HB1      SER   6  13.621   7.048  -3.325
   93    HG   SER   6           HG       SER   6  13.789   9.102  -3.671
   94    H    SER   7           HN       SER   7  12.529   5.207  -1.219
   95    HA   SER   7           HA       SER   7  10.948   3.234  -2.578
   96   1HB   SER   7           HB2      SER   7  13.785   3.700  -3.342
   97   2HB   SER   7           HB1      SER   7  13.271   2.023  -3.161
   98    HG   SER   7           HG       SER   7  12.416   2.231  -5.057
   99    H    ILE   8           HN       ILE   8  10.761   1.386  -1.383
  100    HA   ILE   8           HA       ILE   8  12.316   1.317   1.112
  101    HB   ILE   8           HB       ILE   8   9.732   1.514   1.126
  102   1HG1  ILE   8          HG12      ILE   8  10.853  -0.736   2.785
  103   2HG1  ILE   8          HG11      ILE   8  11.359   0.934   3.033
  104   1HG2  ILE   8          HG21      ILE   8   9.633  -0.534  -0.495
  105   2HG2  ILE   8          HG22      ILE   8   8.421  -0.348   0.772
  106   3HG2  ILE   8          HG23      ILE   8   9.763  -1.470   0.994
  107   1HD1  ILE   8          HD11      ILE   8   8.559   0.971   2.983
  108   2HD1  ILE   8          HD12      ILE   8   9.623   1.198   4.372
  109   3HD1  ILE   8          HD13      ILE   8   9.022  -0.412   3.975
  110    H    SER   9           HN       SER   9  12.698  -0.854   2.032
  111    HA   SER   9           HA       SER   9  14.205  -2.474   0.341
  112   1HB   SER   9           HB2      SER   9  13.121  -3.940   2.611
  113   2HB   SER   9           HB1      SER   9  14.782  -3.433   2.300
  114    HG   SER   9           HG       SER   9  14.057  -2.411   4.150
  115    HA   PRO  10           HA       PRO  10  11.591  -5.590  -1.503
  116   1HB   PRO  10           HB2      PRO  10  11.621  -7.844   0.134
  117   2HB   PRO  10           HB1      PRO  10  12.790  -7.495  -1.145
  118   1HG   PRO  10           HG2      PRO  10  12.997  -7.023   1.799
  119   2HG   PRO  10           HG1      PRO  10  14.239  -7.586   0.662
  120   1HD   PRO  10           HD2      PRO  10  14.230  -5.075   1.535
  121   2HD   PRO  10           HD1      PRO  10  14.635  -5.434  -0.154
  122    H    GLN  11           HN       GLN  11  11.190  -4.918   1.860
  123    HA   GLN  11           HA       GLN  11   8.760  -6.047   2.493
  124   1HB   GLN  11           HB2      GLN  11   9.814  -3.327   3.288
  125   2HB   GLN  11           HB1      GLN  11   8.504  -4.183   4.094
  126   1HG   GLN  11           HG2      GLN  11   9.959  -5.246   5.372
  127   2HG   GLN  11           HG1      GLN  11  10.750  -5.917   3.948
  128   1HE2  GLN  11          HE21      GLN  11  10.514  -2.543   4.944
  129   2HE2  GLN  11          HE22      GLN  11  12.218  -2.295   5.144
  130    H    ALA  12           HN       ALA  12   9.403  -3.486   0.235
  131    HA   ALA  12           HA       ALA  12   7.089  -2.031   0.190
  132   1HB   ALA  12           HB1      ALA  12   7.776  -1.309  -1.828
  133   2HB   ALA  12           HB2      ALA  12   7.902  -2.943  -2.481
  134   3HB   ALA  12           HB3      ALA  12   9.209  -2.283  -1.498
  135    H    ARG  13           HN       ARG  13   7.618  -5.051  -1.610
  136    HA   ARG  13           HA       ARG  13   4.802  -5.394  -2.132
  137   1HB   ARG  13           HB2      ARG  13   5.473  -7.400  -3.321
  138   2HB   ARG  13           HB1      ARG  13   6.533  -6.069  -3.770
  139   1HG   ARG  13           HG2      ARG  13   7.951  -7.104  -1.745
  140   2HG   ARG  13           HG1      ARG  13   7.130  -8.561  -2.306
  141   1HD   ARG  13           HD2      ARG  13   8.109  -7.056  -4.547
  142   2HD   ARG  13           HD1      ARG  13   9.414  -7.318  -3.391
  143    HE   ARG  13           HE       ARG  13   7.943  -9.368  -4.867
  144   1HH1  ARG  13          HH11      ARG  13  10.425  -8.579  -2.534
  145   2HH1  ARG  13          HH12      ARG  13  11.176 -10.135  -2.630
  146   1HH2  ARG  13          HH21      ARG  13   8.934 -11.407  -4.987
  147   2HH2  ARG  13          HH22      ARG  13  10.331 -11.739  -4.019
  148    H    ALA  14           HN       ALA  14   7.251  -6.756  -0.002
  149    HA   ALA  14           HA       ALA  14   5.762  -8.933   0.968
  150   1HB   ALA  14           HB1      ALA  14   7.643  -7.671   2.847
  151   2HB   ALA  14           HB2      ALA  14   8.312  -8.106   1.274
  152   3HB   ALA  14           HB3      ALA  14   7.549  -9.338   2.279
  153    H    PHE  15           HN       PHE  15   6.253  -5.683   2.311
  154    HA   PHE  15           HA       PHE  15   4.696  -5.962   4.585
  155   1HB   PHE  15           HB2      PHE  15   4.982  -3.704   4.910
  156   2HB   PHE  15           HB1      PHE  15   6.283  -4.015   3.779
  157    HD1  PHE  15           HD1      PHE  15   2.644  -3.107   3.644
  158    HD2  PHE  15           HD2      PHE  15   6.567  -2.456   2.123
  159    HE1  PHE  15           HE1      PHE  15   1.778  -1.359   2.154
  160    HE2  PHE  15           HE2      PHE  15   5.698  -0.706   0.632
  161    HZ   PHE  15           HZ       PHE  15   3.302  -0.157   0.644
  162    H    LEU  16           HN       LEU  16   3.762  -4.801   1.349
  163    HA   LEU  16           HA       LEU  16   1.023  -4.529   2.146
  164   1HB   LEU  16           HB2      LEU  16   2.380  -3.424   0.141
  165   2HB   LEU  16           HB1      LEU  16   1.701  -4.791  -0.727
  166    HG   LEU  16           HG       LEU  16  -0.418  -3.668   0.757
  167   1HD1  LEU  16          HD11      LEU  16  -0.112  -1.375  -0.693
  168   2HD1  LEU  16          HD12      LEU  16   1.520  -1.659  -0.092
  169   3HD1  LEU  16          HD13      LEU  16   0.174  -1.535   1.038
  170   1HD2  LEU  16          HD21      LEU  16  -1.308  -4.327  -1.166
  171   2HD2  LEU  16          HD22      LEU  16   0.262  -4.322  -1.967
  172   3HD2  LEU  16          HD23      LEU  16  -0.693  -2.842  -1.889
  173    H    GLU  17           HN       GLU  17   3.013  -7.062   0.885
  174    HA   GLU  17           HA       GLU  17   1.083  -8.749  -0.233
  175   1HB   GLU  17           HB2      GLU  17   3.805  -9.018   0.814
  176   2HB   GLU  17           HB1      GLU  17   2.841 -10.472   1.035
  177   1HG   GLU  17           HG2      GLU  17   2.610  -9.305  -1.629
  178   2HG   GLU  17           HG1      GLU  17   4.244  -9.818  -1.211
  179    H    GLN  18           HN       GLN  18   2.391  -8.808   3.070
  180    HA   GLN  18           HA       GLN  18   0.458 -10.598   4.078
  181   1HB   GLN  18           HB2      GLN  18   1.179  -9.557   6.336
  182   2HB   GLN  18           HB1      GLN  18   2.371 -10.445   5.399
  183   1HG   GLN  18           HG2      GLN  18   3.705  -8.688   5.408
  184   2HG   GLN  18           HG1      GLN  18   2.475  -7.734   4.586
  185   1HE2  GLN  18          HE21      GLN  18   0.530  -7.688   6.577
  186   2HE2  GLN  18          HE22      GLN  18   1.119  -6.744   7.906
  187    H    VAL  19           HN       VAL  19   0.529  -7.122   3.668
  188    HA   VAL  19           HA       VAL  19  -1.601  -6.384   5.334
  189    HB   VAL  19           HB       VAL  19  -0.619  -5.195   2.738
  190   1HG1  VAL  19          HG11      VAL  19  -2.749  -4.340   2.697
  191   2HG1  VAL  19          HG12      VAL  19  -1.922  -3.135   3.680
  192   3HG1  VAL  19          HG13      VAL  19  -2.913  -4.370   4.452
  193   1HG2  VAL  19          HG21      VAL  19   0.483  -5.175   5.245
  194   2HG2  VAL  19          HG22      VAL  19  -0.402  -3.650   5.201
  195   3HG2  VAL  19          HG23      VAL  19   0.811  -4.000   3.972
  196    H    PHE  20           HN       PHE  20  -1.682  -7.006   1.820
  197    HA   PHE  20           HA       PHE  20  -4.525  -7.087   1.704
  198   1HB   PHE  20           HB2      PHE  20  -3.395  -6.500  -0.299
  199   2HB   PHE  20           HB1      PHE  20  -2.344  -7.907  -0.213
  200    HD1  PHE  20           HD1      PHE  20  -5.493  -6.599  -1.375
  201    HD2  PHE  20           HD2      PHE  20  -3.283 -10.166  -0.670
  202    HE1  PHE  20           HE1      PHE  20  -7.032  -7.838  -2.845
  203    HE2  PHE  20           HE2      PHE  20  -4.816 -11.412  -2.138
  204    HZ   PHE  20           HZ       PHE  20  -6.693 -10.247  -3.227
  205    H    ARG  21           HN       ARG  21  -2.212  -9.288   2.804
  206    HA   ARG  21           HA       ARG  21  -3.680 -11.684   2.137
  207   1HB   ARG  21           HB2      ARG  21  -1.050 -11.157   2.743
  208   2HB   ARG  21           HB1      ARG  21  -1.635 -11.886   4.222
  209   1HG   ARG  21           HG2      ARG  21  -0.910 -13.729   3.080
  210   2HG   ARG  21           HG1      ARG  21  -2.607 -13.688   2.595
  211   1HD   ARG  21           HD2      ARG  21  -1.833 -12.307   0.602
  212   2HD   ARG  21           HD1      ARG  21  -0.196 -12.793   1.039
  213    HE   ARG  21           HE       ARG  21  -2.210 -14.411  -0.216
  214   1HH1  ARG  21          HH11      ARG  21   0.668 -14.465   1.758
  215   2HH1  ARG  21          HH12      ARG  21   1.097 -16.081   1.308
  216   1HH2  ARG  21          HH21      ARG  21  -1.645 -16.534  -0.812
  217   2HH2  ARG  21          HH22      ARG  21  -0.215 -17.256  -0.151
  218    H    ARG  22           HN       ARG  22  -3.214  -9.560   4.889
  219    HA   ARG  22           HA       ARG  22  -4.390 -11.149   6.882
  220   1HB   ARG  22           HB2      ARG  22  -4.026  -8.192   6.512
  221   2HB   ARG  22           HB1      ARG  22  -4.938  -8.808   7.882
  222   1HG   ARG  22           HG2      ARG  22  -3.095  -9.690   8.895
  223   2HG   ARG  22           HG1      ARG  22  -2.242  -9.942   7.372
  224   1HD   ARG  22           HD2      ARG  22  -1.055  -8.179   8.220
  225   2HD   ARG  22           HD1      ARG  22  -2.277  -7.316   7.289
  226    HE   ARG  22           HE       ARG  22  -2.073  -7.484  10.188
  227   1HH1  ARG  22          HH11      ARG  22  -3.936  -6.456   7.415
  228   2HH1  ARG  22          HH12      ARG  22  -4.899  -5.343   8.324
  229   1HH2  ARG  22          HH21      ARG  22  -3.343  -6.020  11.377
  230   2HH2  ARG  22          HH22      ARG  22  -4.564  -5.093  10.568
  231    H    LYS  23           HN       LYS  23  -5.731  -8.933   4.522
  232    HA   LYS  23           HA       LYS  23  -8.278 -10.199   4.592
  233   1HB   LYS  23           HB2      LYS  23  -9.637  -8.444   5.449
  234   2HB   LYS  23           HB1      LYS  23  -8.380  -8.744   6.639
  235   1HG   LYS  23           HG2      LYS  23  -7.210  -6.775   6.019
  236   2HG   LYS  23           HG1      LYS  23  -8.220  -6.542   4.597
  237   1HD   LYS  23           HD2      LYS  23  -8.812  -5.998   7.464
  238   2HD   LYS  23           HD1      LYS  23  -9.158  -5.028   6.034
  239   1HE   LYS  23           HE2      LYS  23 -10.907  -6.671   5.403
  240   2HE   LYS  23           HE1      LYS  23 -10.609  -7.516   6.921
  241   1HZ   LYS  23           HZ1      LYS  23 -11.216  -5.474   8.103
  242   2HZ   LYS  23           HZ2      LYS  23 -12.485  -6.043   7.141
  243   3HZ   LYS  23           HZ3      LYS  23 -11.565  -4.719   6.629
  244    H    GLN  24           HN       GLN  24  -9.631  -7.671   3.648
  245    HA   GLN  24           HA       GLN  24  -8.139  -7.124   1.196
  246   1HB   GLN  24           HB2      GLN  24 -11.031  -7.925   1.029
  247   2HB   GLN  24           HB1      GLN  24  -9.858  -7.792  -0.270
  248   1HG   GLN  24           HG2      GLN  24  -9.539  -9.813   1.915
  249   2HG   GLN  24           HG1      GLN  24 -10.564 -10.124   0.515
  250   1HE2  GLN  24          HE21      GLN  24  -7.747 -10.945   1.659
  251   2HE2  GLN  24          HE22      GLN  24  -6.782 -11.007   0.220
  252    H    SER  25           HN       SER  25 -11.165  -6.536   2.935
  253    HA   SER  25           HA       SER  25 -11.577  -3.997   1.685
  254   1HB   SER  25           HB2      SER  25 -13.411  -5.500   2.466
  255   2HB   SER  25           HB1      SER  25 -12.960  -5.112   4.126
  256    HG   SER  25           HG       SER  25 -14.137  -3.487   2.169
  257    H    LEU  26           HN       LEU  26  -9.324  -3.248   2.372
  258    HA   LEU  26           HA       LEU  26  -8.999  -2.417   5.107
  259   1HB   LEU  26           HB2      LEU  26  -7.488  -1.575   2.626
  260   2HB   LEU  26           HB1      LEU  26  -7.024  -1.189   4.269
  261    HG   LEU  26           HG       LEU  26  -6.609  -3.653   2.722
  262   1HD1  LEU  26          HD11      LEU  26  -4.550  -3.093   3.328
  263   2HD1  LEU  26          HD12      LEU  26  -4.961  -3.522   4.988
  264   3HD1  LEU  26          HD13      LEU  26  -5.160  -1.861   4.432
  265   1HD2  LEU  26          HD21      LEU  26  -6.614  -5.085   4.752
  266   2HD2  LEU  26          HD22      LEU  26  -8.223  -4.573   4.240
  267   3HD2  LEU  26          HD23      LEU  26  -7.444  -3.789   5.614
  268    H    ASN  27           HN       ASN  27 -10.294  -0.866   5.906
  269    HA   ASN  27           HA       ASN  27 -11.223   1.271   4.144
  270   1HB   ASN  27           HB2      ASN  27 -12.383   1.805   6.573
  271   2HB   ASN  27           HB1      ASN  27 -13.113   0.849   5.290
  272   1HD2  ASN  27          HD21      ASN  27 -11.143   0.642   8.196
  273   2HD2  ASN  27          HD22      ASN  27 -11.652  -0.952   8.650
  274    H    SER  28           HN       SER  28 -11.498   3.466   5.412
  275    HA   SER  28           HA       SER  28  -9.087   4.727   5.551
  276   1HB   SER  28           HB2      SER  28 -11.785   5.319   6.635
  277   2HB   SER  28           HB1      SER  28 -10.447   6.262   7.297
  278    HG   SER  28           HG       SER  28 -11.690   6.629   5.007
  279    H    LYS  29           HN       LYS  29 -10.595   2.824   8.051
  280    HA   LYS  29           HA       LYS  29  -8.819   3.709  10.134
  281   1HB   LYS  29           HB2      LYS  29 -10.865   1.519   9.907
  282   2HB   LYS  29           HB1      LYS  29  -9.848   1.685  11.327
  283   1HG   LYS  29           HG2      LYS  29 -11.908   3.608  10.289
  284   2HG   LYS  29           HG1      LYS  29 -11.899   2.743  11.827
  285   1HD   LYS  29           HD2      LYS  29 -11.040   4.631  12.676
  286   2HD   LYS  29           HD1      LYS  29  -9.533   4.119  11.915
  287   1HE   LYS  29           HE2      LYS  29  -9.695   5.649  10.244
  288   2HE   LYS  29           HE1      LYS  29 -11.459   5.583  10.211
  289   1HZ   LYS  29           HZ1      LYS  29  -9.686   7.230  11.855
  290   2HZ   LYS  29           HZ2      LYS  29 -11.142   6.721  12.548
  291   3HZ   LYS  29           HZ3      LYS  29 -11.158   7.627  11.120
  292    H    GLU  30           HN       GLU  30  -9.172   0.827   8.123
  293    HA   GLU  30           HA       GLU  30  -6.911  -0.505   9.225
  294   1HB   GLU  30           HB2      GLU  30  -8.330  -0.975   6.595
  295   2HB   GLU  30           HB1      GLU  30  -7.180  -2.067   7.355
  296   1HG   GLU  30           HG2      GLU  30  -9.192  -1.515   9.257
  297   2HG   GLU  30           HG1      GLU  30  -9.997  -1.871   7.731
  298    H    LYS  31           HN       LYS  31  -7.507   1.611   6.491
  299    HA   LYS  31           HA       LYS  31  -5.045   1.265   5.189
  300   1HB   LYS  31           HB2      LYS  31  -5.732   2.962   3.819
  301   2HB   LYS  31           HB1      LYS  31  -7.272   2.541   4.540
  302   1HG   LYS  31           HG2      LYS  31  -7.100   4.373   6.095
  303   2HG   LYS  31           HG1      LYS  31  -5.485   4.761   5.490
  304   1HD   LYS  31           HD2      LYS  31  -6.337   5.425   3.384
  305   2HD   LYS  31           HD1      LYS  31  -7.930   4.753   3.737
  306   1HE   LYS  31           HE2      LYS  31  -7.951   6.436   5.696
  307   2HE   LYS  31           HE1      LYS  31  -6.639   7.230   4.828
  308   1HZ   LYS  31           HZ1      LYS  31  -8.013   7.774   3.074
  309   2HZ   LYS  31           HZ2      LYS  31  -9.050   7.967   4.397
  310   3HZ   LYS  31           HZ3      LYS  31  -9.153   6.578   3.438
  311    H    GLU  32           HN       GLU  32  -6.058   3.248   7.890
  312    HA   GLU  32           HA       GLU  32  -3.476   4.579   8.041
  313   1HB   GLU  32           HB2      GLU  32  -4.439   5.941   9.740
  314   2HB   GLU  32           HB1      GLU  32  -5.674   5.742   8.504
  315   1HG   GLU  32           HG2      GLU  32  -6.862   4.164   9.831
  316   2HG   GLU  32           HG1      GLU  32  -5.553   4.085  11.008
  317    H    GLU  33           HN       GLU  33  -5.346   2.131   9.708
  318    HA   GLU  33           HA       GLU  33  -3.538   1.809  11.897
  319   1HB   GLU  33           HB2      GLU  33  -5.810   0.146  10.816
  320   2HB   GLU  33           HB1      GLU  33  -4.888  -0.315  12.235
  321   1HG   GLU  33           HG2      GLU  33  -5.959   2.418  12.263
  322   2HG   GLU  33           HG1      GLU  33  -7.157   1.127  12.302
  323    H    VAL  34           HN       VAL  34  -4.020   0.289   8.780
  324    HA   VAL  34           HA       VAL  34  -2.103  -1.814   9.222
  325    HB   VAL  34           HB       VAL  34  -3.500  -0.872   6.703
  326   1HG1  VAL  34          HG11      VAL  34  -2.283  -3.564   6.815
  327   2HG1  VAL  34          HG12      VAL  34  -1.179  -2.205   6.613
  328   3HG1  VAL  34          HG13      VAL  34  -2.483  -2.461   5.455
  329   1HG2  VAL  34          HG21      VAL  34  -5.048  -2.550   7.035
  330   2HG2  VAL  34          HG22      VAL  34  -4.750  -1.997   8.684
  331   3HG2  VAL  34          HG23      VAL  34  -3.981  -3.472   8.094
  332    H    ALA  35           HN       ALA  35  -2.184   1.316   7.608
  333    HA   ALA  35           HA       ALA  35   0.298   1.148   6.311
  334   1HB   ALA  35           HB1      ALA  35  -0.781   2.929   5.488
  335   2HB   ALA  35           HB2      ALA  35   0.097   3.786   6.748
  336   3HB   ALA  35           HB3      ALA  35  -1.571   3.295   7.018
  337    H    LYS  36           HN       LYS  36  -0.539   1.963   9.607
  338    HA   LYS  36           HA       LYS  36   2.144   2.881  10.210
  339   1HB   LYS  36           HB2      LYS  36   1.304   3.425  12.377
  340   2HB   LYS  36           HB1      LYS  36   0.109   3.931  11.193
  341   1HG   LYS  36           HG2      LYS  36  -1.232   1.964  11.669
  342   2HG   LYS  36           HG1      LYS  36  -0.019   1.402  12.820
  343   1HD   LYS  36           HD2      LYS  36  -1.674   2.422  14.138
  344   2HD   LYS  36           HD1      LYS  36  -0.380   3.616  14.031
  345   1HE   LYS  36           HE2      LYS  36  -1.732   4.475  11.972
  346   2HE   LYS  36           HE1      LYS  36  -3.068   3.605  12.726
  347   1HZ   LYS  36           HZ1      LYS  36  -2.982   4.960  14.605
  348   2HZ   LYS  36           HZ2      LYS  36  -2.776   6.041  13.321
  349   3HZ   LYS  36           HZ3      LYS  36  -1.441   5.556  14.239
  350    H    LYS  37           HN       LYS  37   0.393  -0.090  10.373
  351    HA   LYS  37           HA       LYS  37   2.358  -1.195  12.249
  352   1HB   LYS  37           HB2      LYS  37   0.841  -2.975  12.676
  353   2HB   LYS  37           HB1      LYS  37  -0.096  -1.490  12.703
  354   1HG   LYS  37           HG2      LYS  37  -1.443  -2.241  11.113
  355   2HG   LYS  37           HG1      LYS  37  -0.081  -2.596  10.051
  356   1HD   LYS  37           HD2      LYS  37  -0.911  -4.412  12.304
  357   2HD   LYS  37           HD1      LYS  37  -1.569  -4.552  10.673
  358   1HE   LYS  37           HE2      LYS  37   0.164  -5.903  10.264
  359   2HE   LYS  37           HE1      LYS  37   1.138  -4.435  10.226
  360   1HZ   LYS  37           HZ1      LYS  37   1.710  -6.456  11.799
  361   2HZ   LYS  37           HZ2      LYS  37   0.643  -5.651  12.835
  362   3HZ   LYS  37           HZ3      LYS  37   2.019  -4.856  12.256
  363    H    CYS  38           HN       CYS  38   1.322  -1.350   8.948
  364    HA   CYS  38           HA       CYS  38   2.972  -3.717   8.477
  365   1HB   CYS  38           HB2      CYS  38   1.033  -2.271   6.667
  366   2HB   CYS  38           HB1      CYS  38   1.943  -3.711   6.220
  367    HG   CYS  38           HG       CYS  38   0.581  -4.828   8.347
  368    H    GLY  39           HN       GLY  39   2.897  -0.276   7.895
  369   1HA   GLY  39           HA2      GLY  39   5.112   0.737   7.586
  370   2HA   GLY  39           HA1      GLY  39   5.484  -0.577   6.482
  371    H    ILE  40           HN       ILE  40   2.367   0.999   6.391
  372    HA   ILE  40           HA       ILE  40   3.185   2.285   3.869
  373    HB   ILE  40           HB       ILE  40   0.311   2.011   4.145
  374   1HG1  ILE  40          HG12      ILE  40   1.849  -0.583   3.959
  375   2HG1  ILE  40          HG11      ILE  40   1.015  -0.048   5.406
  376   1HG2  ILE  40          HG21      ILE  40   1.713   0.571   2.008
  377   2HG2  ILE  40          HG22      ILE  40   2.104   2.284   2.132
  378   3HG2  ILE  40          HG23      ILE  40   0.430   1.774   1.916
  379   1HD1  ILE  40          HD11      ILE  40  -0.436  -0.298   2.807
  380   2HD1  ILE  40          HD12      ILE  40  -1.080  -0.312   4.449
  381   3HD1  ILE  40          HD13      ILE  40  -0.169  -1.697   3.845
  382    H    THR  41           HN       THR  41   0.872   3.876   3.543
  383    HA   THR  41           HA       THR  41   0.634   5.500   5.939
  384    HB   THR  41           HB       THR  41   1.250   7.227   3.682
  385    HG1  THR  41           HG1      THR  41   3.295   6.654   3.319
  386   1HG2  THR  41          HG21      THR  41   1.887   8.547   5.328
  387   2HG2  THR  41          HG22      THR  41   3.150   7.408   5.793
  388   3HG2  THR  41          HG23      THR  41   1.532   7.258   6.477
  389    HA   PRO  42           HA       PRO  42  -3.500   6.341   4.705
  390   1HB   PRO  42           HB2      PRO  42  -2.817   9.244   4.882
  391   2HB   PRO  42           HB1      PRO  42  -4.160   8.357   5.614
  392   1HG   PRO  42           HG2      PRO  42  -2.069   9.084   7.084
  393   2HG   PRO  42           HG1      PRO  42  -2.840   7.505   7.325
  394   1HD   PRO  42           HD2      PRO  42  -0.263   8.174   5.982
  395   2HD   PRO  42           HD1      PRO  42  -0.698   6.748   6.945
  396    H    LEU  43           HN       LEU  43  -0.880   7.983   3.087
  397    HA   LEU  43           HA       LEU  43  -2.531   8.707   0.807
  398   1HB   LEU  43           HB2      LEU  43  -0.554  10.062   1.832
  399   2HB   LEU  43           HB1      LEU  43   0.452   8.968   0.903
  400    HG   LEU  43           HG       LEU  43  -1.290   9.785  -1.014
  401   1HD1  LEU  43          HD11      LEU  43  -1.056  11.980   1.015
  402   2HD1  LEU  43          HD12      LEU  43  -2.492  11.386   0.180
  403   3HD1  LEU  43          HD13      LEU  43  -1.288  12.329  -0.698
  404   1HD2  LEU  43          HD21      LEU  43   1.149   9.718  -1.179
  405   2HD2  LEU  43          HD22      LEU  43   1.258  11.177  -0.194
  406   3HD2  LEU  43          HD23      LEU  43   0.504  11.244  -1.788
  407    H    GLN  44           HN       GLN  44  -0.220   6.285   1.774
  408    HA   GLN  44           HA       GLN  44   0.168   5.272  -0.895
  409   1HB   GLN  44           HB2      GLN  44   0.815   3.706   1.566
  410   2HB   GLN  44           HB1      GLN  44   1.655   3.739   0.025
  411   1HG   GLN  44           HG2      GLN  44   1.647   5.933   2.082
  412   2HG   GLN  44           HG1      GLN  44   2.964   4.805   1.769
  413   1HE2  GLN  44          HE21      GLN  44   2.398   7.843   1.464
  414   2HE2  GLN  44          HE22      GLN  44   3.075   8.200  -0.091
  415    H    VAL  45           HN       VAL  45  -1.269   3.961   2.067
  416    HA   VAL  45           HA       VAL  45  -2.395   1.656   1.327
  417    HB   VAL  45           HB       VAL  45  -4.312   2.164   2.814
  418   1HG1  VAL  45          HG11      VAL  45  -2.206   3.247   4.445
  419   2HG1  VAL  45          HG12      VAL  45  -1.588   1.970   3.397
  420   3HG1  VAL  45          HG13      VAL  45  -2.940   1.645   4.483
  421   1HG2  VAL  45          HG21      VAL  45  -3.177   4.920   2.557
  422   2HG2  VAL  45          HG22      VAL  45  -3.989   4.438   4.046
  423   3HG2  VAL  45          HG23      VAL  45  -4.860   4.394   2.513
  424    H    ARG  46           HN       ARG  46  -3.510   4.810   0.213
  425    HA   ARG  46           HA       ARG  46  -5.872   3.679  -1.002
  426   1HB   ARG  46           HB2      ARG  46  -5.997   6.067  -1.986
  427   2HB   ARG  46           HB1      ARG  46  -6.309   5.833  -0.279
  428   1HG   ARG  46           HG2      ARG  46  -4.273   6.765   0.342
  429   2HG   ARG  46           HG1      ARG  46  -3.581   6.549  -1.259
  430   1HD   ARG  46           HD2      ARG  46  -4.878   8.829  -0.179
  431   2HD   ARG  46           HD1      ARG  46  -4.137   8.630  -1.762
  432    HE   ARG  46           HE       ARG  46  -6.967   8.441  -1.112
  433   1HH1  ARG  46          HH11      ARG  46  -4.457   7.987  -3.500
  434   2HH1  ARG  46          HH12      ARG  46  -5.554   8.024  -4.838
  435   1HH2  ARG  46          HH21      ARG  46  -8.406   8.487  -2.873
  436   2HH2  ARG  46          HH22      ARG  46  -7.794   8.308  -4.484
  437    H    VAL  47           HN       VAL  47  -2.860   5.218  -2.176
  438    HA   VAL  47           HA       VAL  47  -3.433   4.594  -4.921
  439    HB   VAL  47           HB       VAL  47  -1.183   5.395  -5.388
  440   1HG1  VAL  47          HG11      VAL  47  -1.396   7.655  -4.586
  441   2HG1  VAL  47          HG12      VAL  47  -2.463   7.133  -3.282
  442   3HG1  VAL  47          HG13      VAL  47  -3.000   7.025  -4.959
  443   1HG2  VAL  47          HG21      VAL  47  -0.855   5.220  -2.405
  444   2HG2  VAL  47          HG22      VAL  47   0.211   6.196  -3.416
  445   3HG2  VAL  47          HG23      VAL  47   0.119   4.451  -3.658
  446    H    TRP  48           HN       TRP  48  -1.346   3.305  -2.411
  447    HA   TRP  48           HA       TRP  48  -0.041   1.352  -3.935
  448   1HB   TRP  48           HB2      TRP  48  -0.048   2.267  -1.262
  449   2HB   TRP  48           HB1      TRP  48  -0.301   0.530  -1.197
  450    HD1  TRP  48           HD1      TRP  48   2.346   3.120  -1.724
  451    HE1  TRP  48           HE1      TRP  48   4.608   1.981  -2.184
  452    HE3  TRP  48           HE3      TRP  48   0.712  -1.662  -2.459
  453    HZ2  TRP  48           HZ2      TRP  48   5.571  -0.608  -2.778
  454    HZ3  TRP  48           HZ3      TRP  48   2.360  -3.407  -2.962
  455    HH2  TRP  48           HH2      TRP  48   4.740  -2.897  -3.120
  456    H    PHE  49           HN       PHE  49  -2.885   1.060  -1.765
  457    HA   PHE  49           HA       PHE  49  -3.332  -1.683  -2.391
  458   1HB   PHE  49           HB2      PHE  49  -5.228   0.383  -1.256
  459   2HB   PHE  49           HB1      PHE  49  -5.578  -1.331  -1.371
  460    HD1  PHE  49           HD1      PHE  49  -2.453  -1.852  -0.635
  461    HD2  PHE  49           HD2      PHE  49  -5.751   0.162   1.152
  462    HE1  PHE  49           HE1      PHE  49  -1.470  -2.212   1.592
  463    HE2  PHE  49           HE2      PHE  49  -4.768  -0.191   3.376
  464    HZ   PHE  49           HZ       PHE  49  -2.625  -1.375   3.599
  465    H    ILE  50           HN       ILE  50  -4.014   1.235  -4.074
  466    HA   ILE  50           HA       ILE  50  -6.347   0.455  -5.445
  467    HB   ILE  50           HB       ILE  50  -4.324   2.575  -5.751
  468   1HG1  ILE  50          HG12      ILE  50  -6.556   2.792  -4.629
  469   2HG1  ILE  50          HG11      ILE  50  -6.266   3.980  -5.896
  470   1HG2  ILE  50          HG21      ILE  50  -5.288   3.197  -8.023
  471   2HG2  ILE  50          HG22      ILE  50  -5.828   1.522  -8.128
  472   3HG2  ILE  50          HG23      ILE  50  -4.109   1.887  -7.985
  473   1HD1  ILE  50          HD11      ILE  50  -8.557   2.750  -5.710
  474   2HD1  ILE  50          HD12      ILE  50  -7.709   1.468  -6.576
  475   3HD1  ILE  50          HD13      ILE  50  -7.841   3.076  -7.288
  476    H    ASN  51           HN       ASN  51  -2.973   0.464  -6.622
  477    HA   ASN  51           HA       ASN  51  -3.629  -1.131  -8.905
  478   1HB   ASN  51           HB2      ASN  51  -1.011  -0.221  -7.714
  479   2HB   ASN  51           HB1      ASN  51  -1.099  -1.225  -9.158
  480   1HD2  ASN  51          HD21      ASN  51   0.025   1.370  -8.991
  481   2HD2  ASN  51          HD22      ASN  51  -0.899   2.409 -10.029
  482    H    LYS  52           HN       LYS  52  -2.492  -1.773  -5.677
  483    HA   LYS  52           HA       LYS  52  -1.703  -4.491  -6.278
  484   1HB   LYS  52           HB2      LYS  52  -1.720  -2.763  -3.842
  485   2HB   LYS  52           HB1      LYS  52  -1.626  -4.505  -3.641
  486   1HG   LYS  52           HG2      LYS  52   0.282  -2.808  -5.236
  487   2HG   LYS  52           HG1      LYS  52   0.582  -3.490  -3.638
  488   1HD   LYS  52           HD2      LYS  52  -0.074  -5.735  -4.910
  489   2HD   LYS  52           HD1      LYS  52   0.518  -4.815  -6.293
  490   1HE   LYS  52           HE2      LYS  52   2.446  -5.845  -5.581
  491   2HE   LYS  52           HE1      LYS  52   2.540  -4.308  -4.723
  492   1HZ   LYS  52           HZ1      LYS  52   1.219  -5.742  -2.941
  493   2HZ   LYS  52           HZ2      LYS  52   2.908  -5.687  -2.991
  494   3HZ   LYS  52           HZ3      LYS  52   2.084  -6.991  -3.685
  495    H    ARG  53           HN       ARG  53  -4.453  -2.819  -4.916
  496    HA   ARG  53           HA       ARG  53  -5.883  -5.386  -4.778
  497   1HB   ARG  53           HB2      ARG  53  -5.275  -4.424  -2.517
  498   2HB   ARG  53           HB1      ARG  53  -6.344  -3.079  -2.889
  499   1HG   ARG  53           HG2      ARG  53  -8.141  -4.873  -3.272
  500   2HG   ARG  53           HG1      ARG  53  -7.041  -5.946  -2.409
  501   1HD   ARG  53           HD2      ARG  53  -7.713  -5.122  -0.463
  502   2HD   ARG  53           HD1      ARG  53  -7.265  -3.493  -0.967
  503    HE   ARG  53           HE       ARG  53  -9.911  -4.663  -0.978
  504   1HH1  ARG  53          HH11      ARG  53  -7.872  -2.082  -2.152
  505   2HH1  ARG  53          HH12      ARG  53  -9.198  -1.024  -2.493
  506   1HH2  ARG  53          HH21      ARG  53 -11.653  -3.270  -1.427
  507   2HH2  ARG  53          HH22      ARG  53 -11.343  -1.697  -2.081
  508    H    MET  54           HN       MET  54  -5.843  -3.630  -7.009
  509    HA   MET  54           HA       MET  54  -7.928  -1.796  -7.139
  510   1HB   MET  54           HB2      MET  54  -6.069  -2.671  -8.896
  511   2HB   MET  54           HB1      MET  54  -7.497  -3.467  -9.544
  512   1HG   MET  54           HG2      MET  54  -8.610  -1.192  -9.486
  513   2HG   MET  54           HG1      MET  54  -7.003  -0.530  -9.194
  514   1HE   MET  54           HE1      MET  54  -5.336  -0.374 -12.463
  515   2HE   MET  54           HE2      MET  54  -5.135  -0.462 -10.713
  516   3HE   MET  54           HE3      MET  54  -6.184   0.767 -11.420
  517    H    ARG  55           HN       ARG  55  -9.663  -2.659  -5.920
  518    HA   ARG  55           HA       ARG  55 -10.993  -5.055  -6.863
  519   1HB   ARG  55           HB2      ARG  55 -11.546  -3.123  -4.616
  520   2HB   ARG  55           HB1      ARG  55 -12.652  -4.426  -5.028
  521   1HG   ARG  55           HG2      ARG  55  -9.849  -5.227  -4.645
  522   2HG   ARG  55           HG1      ARG  55 -10.677  -4.628  -3.206
  523   1HD   ARG  55           HD2      ARG  55 -11.283  -6.809  -3.055
  524   2HD   ARG  55           HD1      ARG  55 -12.580  -6.252  -4.112
  525    HE   ARG  55           HE       ARG  55 -10.619  -7.016  -5.832
  526   1HH1  ARG  55          HH11      ARG  55 -12.277  -8.587  -3.194
  527   2HH1  ARG  55          HH12      ARG  55 -12.129 -10.170  -3.879
  528   1HH2  ARG  55          HH21      ARG  55 -10.426  -9.101  -6.736
  529   2HH2  ARG  55          HH22      ARG  55 -11.079 -10.462  -5.888
  530    H    SER  56           HN       SER  56 -11.814  -1.609  -6.511
  531    HA   SER  56           HA       SER  56 -14.337  -1.656  -7.649
  532   1HB   SER  56           HB2      SER  56 -12.931   0.286  -6.543
  533   2HB   SER  56           HB1      SER  56 -12.532   0.660  -8.220
  534    HG   SER  56           HG       SER  56 -15.037   0.688  -6.937
  535    H    LYS  57           HN       LYS  57 -14.775  -2.679  -9.505
  536    HA   LYS  57           HA       LYS  57 -12.962  -2.701 -11.727
  537   1HB   LYS  57           HB2      LYS  57 -14.436  -4.612 -11.225
  538   2HB   LYS  57           HB1      LYS  57 -15.841  -3.609 -11.558
  539   1HG   LYS  57           HG2      LYS  57 -15.716  -4.474 -13.611
  540   2HG   LYS  57           HG1      LYS  57 -14.412  -3.310 -13.852
  541   1HD   LYS  57           HD2      LYS  57 -12.875  -4.924 -13.999
  542   2HD   LYS  57           HD1      LYS  57 -13.487  -5.741 -12.559
  543   1HE   LYS  57           HE2      LYS  57 -14.951  -5.928 -15.165
  544   2HE   LYS  57           HE1      LYS  57 -13.565  -6.966 -14.839
  545   1HZ   LYS  57           HZ1      LYS  57 -16.019  -7.659 -14.206
  546   2HZ   LYS  57           HZ2      LYS  57 -15.638  -6.820 -12.788
  547   3HZ   LYS  57           HZ3      LYS  57 -14.688  -8.132 -13.274
  Start of MODEL   20
    1   1H    LYS  -3           HT1      LYS  -3  16.560  18.105   1.244
    2   2H    LYS  -3           HT2      LYS  -3  15.997  17.910   2.854
    3   3H    LYS  -3           HT3      LYS  -3  15.330  19.132   1.852
    4    HA   LYS  -3           HA       LYS  -3  13.834  17.322   2.033
    5   1HB   LYS  -3           HB2      LYS  -3  14.557  18.624  -0.201
    6   2HB   LYS  -3           HB1      LYS  -3  14.939  16.984  -0.706
    7   1HG   LYS  -3           HG2      LYS  -3  12.781  17.134  -1.420
    8   2HG   LYS  -3           HG1      LYS  -3  12.522  16.492   0.203
    9   1HD   LYS  -3           HD2      LYS  -3  11.568  18.401   0.945
   10   2HD   LYS  -3           HD1      LYS  -3  12.653  19.428   0.005
   11   1HE   LYS  -3           HE2      LYS  -3  10.737  17.833  -1.563
   12   2HE   LYS  -3           HE1      LYS  -3  10.025  19.082  -0.541
   13   1HZ   LYS  -3           HZ1      LYS  -3  11.980  20.469  -1.645
   14   2HZ   LYS  -3           HZ2      LYS  -3  10.453  20.328  -2.359
   15   3HZ   LYS  -3           HZ3      LYS  -3  11.727  19.351  -2.890
   16    H    LYS  -2           HN       LYS  -2  13.422  15.157   2.110
   17    HA   LYS  -2           HA       LYS  -2  15.683  13.406   2.414
   18   1HB   LYS  -2           HB2      LYS  -2  13.399  13.434   3.703
   19   2HB   LYS  -2           HB1      LYS  -2  12.850  12.434   2.365
   20   1HG   LYS  -2           HG2      LYS  -2  14.104  10.651   2.998
   21   2HG   LYS  -2           HG1      LYS  -2  15.378  11.653   3.695
   22   1HD   LYS  -2           HD2      LYS  -2  14.012  12.121   5.628
   23   2HD   LYS  -2           HD1      LYS  -2  12.643  11.270   4.910
   24   1HE   LYS  -2           HE2      LYS  -2  13.367   9.490   6.052
   25   2HE   LYS  -2           HE1      LYS  -2  14.630   9.383   4.826
   26   1HZ   LYS  -2           HZ1      LYS  -2  16.150  10.479   6.208
   27   2HZ   LYS  -2           HZ2      LYS  -2  15.370   9.377   7.227
   28   3HZ   LYS  -2           HZ3      LYS  -2  14.950  11.015   7.274
   29    H    GLU  -1           HN       GLU  -1  16.572  12.175   0.903
   30    HA   GLU  -1           HA       GLU  -1  17.014  11.342  -1.182
   31   1HB   GLU  -1           HB2      GLU  -1  15.254   9.688  -1.942
   32   2HB   GLU  -1           HB1      GLU  -1  15.889   9.448  -0.321
   33   1HG   GLU  -1           HG2      GLU  -1  13.912  10.449   0.640
   34   2HG   GLU  -1           HG1      GLU  -1  13.285  10.812  -0.967
   35    H    LYS   0           HN       LYS   0  17.163  13.089  -2.539
   36    HA   LYS   0           HA       LYS   0  14.794  14.272  -3.695
   37   1HB   LYS   0           HB2      LYS   0  17.642  14.907  -3.547
   38   2HB   LYS   0           HB1      LYS   0  16.948  15.247  -5.126
   39   1HG   LYS   0           HG2      LYS   0  15.069  16.324  -3.504
   40   2HG   LYS   0           HG1      LYS   0  16.527  16.581  -2.547
   41   1HD   LYS   0           HD2      LYS   0  17.309  18.148  -3.951
   42   2HD   LYS   0           HD1      LYS   0  16.849  17.224  -5.382
   43   1HE   LYS   0           HE2      LYS   0  14.674  18.453  -3.782
   44   2HE   LYS   0           HE1      LYS   0  15.691  19.532  -4.736
   45   1HZ   LYS   0           HZ1      LYS   0  13.836  18.886  -6.055
   46   2HZ   LYS   0           HZ2      LYS   0  14.086  17.245  -5.733
   47   3HZ   LYS   0           HZ3      LYS   0  15.196  18.100  -6.681
   48    H    SER   1           HN       SER   1  17.188  11.899  -4.592
   49    HA   SER   1           HA       SER   1  16.978  11.892  -7.347
   50   1HB   SER   1           HB2      SER   1  17.044   9.185  -6.243
   51   2HB   SER   1           HB1      SER   1  18.244  10.035  -7.215
   52    HG   SER   1           HG       SER   1  18.224   9.587  -4.567
   53    HA   PRO   2           HA       PRO   2  13.203   8.837  -6.995
   54   1HB   PRO   2           HB2      PRO   2  12.180   9.423  -4.290
   55   2HB   PRO   2           HB1      PRO   2  12.416   7.865  -5.088
   56   1HG   PRO   2           HG2      PRO   2  14.012   8.668  -3.093
   57   2HG   PRO   2           HG1      PRO   2  14.637   7.730  -4.462
   58   1HD   PRO   2           HD2      PRO   2  14.827  10.673  -3.934
   59   2HD   PRO   2           HD1      PRO   2  16.058   9.561  -4.564
   60    H    LYS   3           HN       LYS   3  13.282  11.968  -5.443
   61    HA   LYS   3           HA       LYS   3  12.029  13.844  -5.708
   62   1HB   LYS   3           HB2      LYS   3  11.771  12.422  -8.205
   63   2HB   LYS   3           HB1      LYS   3  10.278  13.277  -7.838
   64   1HG   LYS   3           HG2      LYS   3  12.169  15.167  -7.280
   65   2HG   LYS   3           HG1      LYS   3  12.889  14.307  -8.642
   66   1HD   LYS   3           HD2      LYS   3  11.051  14.777 -10.040
   67   2HD   LYS   3           HD1      LYS   3  10.040  15.265  -8.680
   68   1HE   LYS   3           HE2      LYS   3  12.551  16.739  -9.418
   69   2HE   LYS   3           HE1      LYS   3  10.994  17.116 -10.155
   70   1HZ   LYS   3           HZ1      LYS   3  11.761  17.348  -7.303
   71   2HZ   LYS   3           HZ2      LYS   3  10.149  17.391  -7.814
   72   3HZ   LYS   3           HZ3      LYS   3  11.236  18.573  -8.346
   73    H    GLY   4           HN       GLY   4  11.020  13.242  -3.687
   74   1HA   GLY   4           HA2      GLY   4   8.620  13.709  -3.044
   75   2HA   GLY   4           HA1      GLY   4   8.242  12.293  -4.015
   76    H    LYS   5           HN       LYS   5   8.039  10.439  -2.958
   77    HA   LYS   5           HA       LYS   5   9.769   9.645  -0.846
   78   1HB   LYS   5           HB2      LYS   5   7.602   9.402   0.717
   79   2HB   LYS   5           HB1      LYS   5   8.675  10.792   0.783
   80   1HG   LYS   5           HG2      LYS   5   6.401  11.547   0.777
   81   2HG   LYS   5           HG1      LYS   5   7.157  11.992  -0.754
   82   1HD   LYS   5           HD2      LYS   5   6.157   9.786  -1.637
   83   2HD   LYS   5           HD1      LYS   5   5.129   9.854  -0.204
   84   1HE   LYS   5           HE2      LYS   5   3.778  11.010  -1.604
   85   2HE   LYS   5           HE1      LYS   5   4.796  12.354  -1.092
   86   1HZ   LYS   5           HZ1      LYS   5   6.125  12.096  -3.061
   87   2HZ   LYS   5           HZ2      LYS   5   4.501  12.246  -3.512
   88   3HZ   LYS   5           HZ3      LYS   5   5.248  10.729  -3.536
   89    H    SER   6           HN       SER   6   9.697   8.114  -2.761
   90    HA   SER   6           HA       SER   6   7.761   5.988  -2.160
   91   1HB   SER   6           HB2      SER   6   8.605   6.310  -4.996
   92   2HB   SER   6           HB1      SER   6   7.080   5.721  -4.333
   93    HG   SER   6           HG       SER   6   6.756   7.997  -3.676
   94    H    SER   7           HN       SER   7   8.610   4.071  -3.896
   95    HA   SER   7           HA       SER   7  10.159   2.427  -4.165
   96   1HB   SER   7           HB2      SER   7  11.812   4.909  -4.190
   97   2HB   SER   7           HB1      SER   7  12.649   3.364  -4.050
   98    HG   SER   7           HG       SER   7  12.470   3.586  -6.182
   99    H    ILE   8           HN       ILE   8  10.338   0.949  -2.623
  100    HA   ILE   8           HA       ILE   8  11.874   1.605  -0.212
  101    HB   ILE   8           HB       ILE   8   9.310   1.702   0.131
  102   1HG1  ILE   8          HG12      ILE   8  10.712  -0.203   1.986
  103   2HG1  ILE   8          HG11      ILE   8  11.218   1.479   1.867
  104   1HG2  ILE   8          HG21      ILE   8   9.300  -1.179   0.678
  105   2HG2  ILE   8          HG22      ILE   8   9.334  -0.753  -1.032
  106   3HG2  ILE   8          HG23      ILE   8   8.042  -0.144   0.002
  107   1HD1  ILE   8          HD11      ILE   8   9.271   2.265   2.808
  108   2HD1  ILE   8          HD12      ILE   8   9.523   0.758   3.687
  109   3HD1  ILE   8          HD13      ILE   8   8.353   0.825   2.369
  110    H    SER   9           HN       SER   9  12.419  -0.416   1.046
  111    HA   SER   9           HA       SER   9  13.889  -2.199  -0.483
  112   1HB   SER   9           HB2      SER   9  12.971  -3.424   1.988
  113   2HB   SER   9           HB1      SER   9  14.587  -2.867   1.553
  114    HG   SER   9           HG       SER   9  14.070  -0.836   2.283
  115    HA   PRO  10           HA       PRO  10  11.352  -5.607  -1.834
  116   1HB   PRO  10           HB2      PRO  10  11.607  -7.669   0.019
  117   2HB   PRO  10           HB1      PRO  10  12.683  -7.392  -1.355
  118   1HG   PRO  10           HG2      PRO  10  13.017  -6.608   1.507
  119   2HG   PRO  10           HG1      PRO  10  14.229  -7.213   0.359
  120   1HD   PRO  10           HD2      PRO  10  14.104  -4.628   0.985
  121   2HD   PRO  10           HD1      PRO  10  14.454  -5.135  -0.679
  122    H    GLN  11           HN       GLN  11  11.092  -4.619   1.471
  123    HA   GLN  11           HA       GLN  11   8.758  -5.817   2.321
  124   1HB   GLN  11           HB2      GLN  11   9.695  -2.990   2.851
  125   2HB   GLN  11           HB1      GLN  11   8.480  -3.850   3.788
  126   1HG   GLN  11           HG2      GLN  11  10.067  -4.684   5.076
  127   2HG   GLN  11           HG1      GLN  11  10.783  -5.485   3.680
  128   1HE2  GLN  11          HE21      GLN  11  10.500  -2.031   4.363
  129   2HE2  GLN  11          HE22      GLN  11  12.204  -1.718   4.399
  130    H    ALA  12           HN       ALA  12   9.178  -3.388  -0.133
  131    HA   ALA  12           HA       ALA  12   6.780  -2.069  -0.186
  132   1HB   ALA  12           HB1      ALA  12   7.447  -3.007  -2.848
  133   2HB   ALA  12           HB2      ALA  12   8.872  -2.444  -1.975
  134   3HB   ALA  12           HB3      ALA  12   7.487  -1.372  -2.186
  135    H    ARG  13           HN       ARG  13   7.440  -5.161  -1.810
  136    HA   ARG  13           HA       ARG  13   4.636  -5.676  -2.239
  137   1HB   ARG  13           HB2      ARG  13   5.364  -7.686  -3.349
  138   2HB   ARG  13           HB1      ARG  13   6.413  -6.368  -3.852
  139   1HG   ARG  13           HG2      ARG  13   7.849  -7.282  -1.797
  140   2HG   ARG  13           HG1      ARG  13   7.021  -8.774  -2.245
  141   1HD   ARG  13           HD2      ARG  13   8.004  -7.395  -4.581
  142   2HD   ARG  13           HD1      ARG  13   9.304  -7.666  -3.422
  143    HE   ARG  13           HE       ARG  13   7.896 -10.050  -3.654
  144   1HH1  ARG  13          HH11      ARG  13   9.845  -7.979  -5.678
  145   2HH1  ARG  13          HH12      ARG  13  10.401  -9.277  -6.682
  146   1HH2  ARG  13          HH21      ARG  13   8.626 -11.755  -4.974
  147   2HH2  ARG  13          HH22      ARG  13   9.709 -11.419  -6.283
  148    H    ALA  14           HN       ALA  14   7.184  -6.752  -0.064
  149    HA   ALA  14           HA       ALA  14   5.808  -8.928   1.085
  150   1HB   ALA  14           HB1      ALA  14   8.333  -8.002   1.245
  151   2HB   ALA  14           HB2      ALA  14   7.646  -9.183   2.359
  152   3HB   ALA  14           HB3      ALA  14   7.703  -7.478   2.806
  153    H    PHE  15           HN       PHE  15   6.280  -5.610   2.288
  154    HA   PHE  15           HA       PHE  15   4.767  -5.830   4.593
  155   1HB   PHE  15           HB2      PHE  15   5.043  -3.567   4.841
  156   2HB   PHE  15           HB1      PHE  15   6.301  -3.885   3.661
  157    HD1  PHE  15           HD1      PHE  15   6.477  -2.382   1.940
  158    HD2  PHE  15           HD2      PHE  15   2.649  -3.037   3.681
  159    HE1  PHE  15           HE1      PHE  15   5.513  -0.681   0.453
  160    HE2  PHE  15           HE2      PHE  15   1.683  -1.343   2.193
  161    HZ   PHE  15           HZ       PHE  15   3.111  -0.159   0.575
  162    H    LEU  16           HN       LEU  16   3.741  -4.840   1.332
  163    HA   LEU  16           HA       LEU  16   1.015  -4.585   2.204
  164   1HB   LEU  16           HB2      LEU  16   2.337  -3.525   0.114
  165   2HB   LEU  16           HB1      LEU  16   1.539  -4.871  -0.682
  166    HG   LEU  16           HG       LEU  16  -0.368  -3.557   0.987
  167   1HD1  LEU  16          HD11      LEU  16   1.549  -1.753  -0.204
  168   2HD1  LEU  16          HD12      LEU  16   0.235  -1.423   0.923
  169   3HD1  LEU  16          HD13      LEU  16  -0.081  -1.468  -0.810
  170   1HD2  LEU  16          HD21      LEU  16  -0.248  -4.761  -1.500
  171   2HD2  LEU  16          HD22      LEU  16  -0.649  -3.082  -1.857
  172   3HD2  LEU  16          HD23      LEU  16  -1.663  -4.016  -0.760
  173    H    GLU  17           HN       GLU  17   3.026  -7.106   0.966
  174    HA   GLU  17           HA       GLU  17   1.123  -8.847  -0.108
  175   1HB   GLU  17           HB2      GLU  17   3.844  -9.075   0.981
  176   2HB   GLU  17           HB1      GLU  17   2.884 -10.536   1.177
  177   1HG   GLU  17           HG2      GLU  17   3.041  -9.163  -1.473
  178   2HG   GLU  17           HG1      GLU  17   4.323 -10.249  -0.938
  179    H    GLN  18           HN       GLN  18   2.405  -8.717   3.194
  180    HA   GLN  18           HA       GLN  18   0.523 -10.533   4.276
  181   1HB   GLN  18           HB2      GLN  18   1.259  -9.410   6.490
  182   2HB   GLN  18           HB1      GLN  18   2.449 -10.317   5.570
  183   1HG   GLN  18           HG2      GLN  18   3.766  -8.547   5.499
  184   2HG   GLN  18           HG1      GLN  18   2.514  -7.630   4.668
  185   1HE2  GLN  18          HE21      GLN  18   2.817  -5.702   5.657
  186   2HE2  GLN  18          HE22      GLN  18   2.554  -5.428   7.348
  187    H    VAL  19           HN       VAL  19   0.582  -7.054   3.812
  188    HA   VAL  19           HA       VAL  19  -1.537  -6.283   5.460
  189    HB   VAL  19           HB       VAL  19  -0.615  -5.195   2.799
  190   1HG1  VAL  19          HG11      VAL  19  -2.912  -4.346   4.490
  191   2HG1  VAL  19          HG12      VAL  19  -2.746  -4.357   2.734
  192   3HG1  VAL  19          HG13      VAL  19  -1.943  -3.112   3.689
  193   1HG2  VAL  19          HG21      VAL  19   0.560  -5.061   5.242
  194   2HG2  VAL  19          HG22      VAL  19  -0.402  -3.584   5.237
  195   3HG2  VAL  19          HG23      VAL  19   0.777  -3.869   3.961
  196    H    PHE  20           HN       PHE  20  -1.677  -7.020   1.974
  197    HA   PHE  20           HA       PHE  20  -4.521  -7.186   1.926
  198   1HB   PHE  20           HB2      PHE  20  -2.993  -6.643  -0.025
  199   2HB   PHE  20           HB1      PHE  20  -2.614  -8.361  -0.099
  200    HD1  PHE  20           HD1      PHE  20  -5.666  -6.227   0.162
  201    HD2  PHE  20           HD2      PHE  20  -3.752  -9.546  -1.688
  202    HE1  PHE  20           HE1      PHE  20  -7.656  -6.592  -1.230
  203    HE2  PHE  20           HE2      PHE  20  -5.741  -9.919  -3.086
  204    HZ   PHE  20           HZ       PHE  20  -7.699  -8.441  -2.858
  205    H    ARG  21           HN       ARG  21  -2.144  -9.285   3.050
  206    HA   ARG  21           HA       ARG  21  -3.404 -11.774   2.374
  207   1HB   ARG  21           HB2      ARG  21  -0.904 -11.203   3.028
  208   2HB   ARG  21           HB1      ARG  21  -1.494 -11.506   4.650
  209   1HG   ARG  21           HG2      ARG  21  -1.359 -13.694   4.347
  210   2HG   ARG  21           HG1      ARG  21  -2.352 -13.601   2.891
  211   1HD   ARG  21           HD2      ARG  21  -0.572 -13.667   1.519
  212   2HD   ARG  21           HD1      ARG  21   0.406 -12.646   2.571
  213    HE   ARG  21           HE       ARG  21   1.381 -14.547   3.348
  214   1HH1  ARG  21          HH11      ARG  21  -1.802 -15.378   2.183
  215   2HH1  ARG  21          HH12      ARG  21  -1.617 -17.069   2.512
  216   1HH2  ARG  21          HH21      ARG  21   1.627 -16.769   3.779
  217   2HH2  ARG  21          HH22      ARG  21   0.329 -17.858   3.417
  218    H    ARG  22           HN       ARG  22  -3.203  -9.686   5.208
  219    HA   ARG  22           HA       ARG  22  -4.567 -11.328   7.026
  220   1HB   ARG  22           HB2      ARG  22  -4.001  -8.410   6.826
  221   2HB   ARG  22           HB1      ARG  22  -5.222  -8.930   7.980
  222   1HG   ARG  22           HG2      ARG  22  -3.708 -10.006   9.313
  223   2HG   ARG  22           HG1      ARG  22  -2.593 -10.317   7.981
  224   1HD   ARG  22           HD2      ARG  22  -1.408  -8.533   8.563
  225   2HD   ARG  22           HD1      ARG  22  -2.813  -7.508   8.276
  226    HE   ARG  22           HE       ARG  22  -3.005  -7.272  10.528
  227   1HH1  ARG  22          HH11      ARG  22  -1.268 -10.232   9.899
  228   2HH1  ARG  22          HH12      ARG  22  -0.978 -10.564  11.573
  229   1HH2  ARG  22          HH21      ARG  22  -2.625  -7.707  12.732
  230   2HH2  ARG  22          HH22      ARG  22  -1.748  -9.132  13.181
  231    H    LYS  23           HN       LYS  23  -5.766  -8.838   4.819
  232    HA   LYS  23           HA       LYS  23  -8.349 -10.137   4.721
  233   1HB   LYS  23           HB2      LYS  23  -9.654  -8.234   5.400
  234   2HB   LYS  23           HB1      LYS  23  -8.502  -8.597   6.677
  235   1HG   LYS  23           HG2      LYS  23  -7.049  -6.792   5.803
  236   2HG   LYS  23           HG1      LYS  23  -8.300  -6.401   4.633
  237   1HD   LYS  23           HD2      LYS  23  -8.099  -5.128   6.952
  238   2HD   LYS  23           HD1      LYS  23  -9.657  -5.444   6.196
  239   1HE   LYS  23           HE2      LYS  23  -9.704  -5.977   8.575
  240   2HE   LYS  23           HE1      LYS  23  -9.946  -7.420   7.591
  241   1HZ   LYS  23           HZ1      LYS  23  -8.386  -8.232   8.981
  242   2HZ   LYS  23           HZ2      LYS  23  -7.731  -6.715   9.341
  243   3HZ   LYS  23           HZ3      LYS  23  -7.316  -7.494   7.899
  244    H    GLN  24           HN       GLN  24  -9.651  -7.790   3.538
  245    HA   GLN  24           HA       GLN  24  -7.988  -7.302   1.179
  246   1HB   GLN  24           HB2      GLN  24 -10.865  -8.105   0.852
  247   2HB   GLN  24           HB1      GLN  24  -9.600  -8.043  -0.365
  248   1HG   GLN  24           HG2      GLN  24  -9.385  -9.953   1.922
  249   2HG   GLN  24           HG1      GLN  24 -10.416 -10.327   0.542
  250   1HE2  GLN  24          HE21      GLN  24  -7.385 -10.649   1.802
  251   2HE2  GLN  24          HE22      GLN  24  -6.510 -11.003   0.348
  252    H    SER  25           HN       SER  25 -11.091  -6.630   2.742
  253    HA   SER  25           HA       SER  25 -11.358  -4.110   1.370
  254   1HB   SER  25           HB2      SER  25 -13.299  -5.568   1.957
  255   2HB   SER  25           HB1      SER  25 -13.022  -5.181   3.655
  256    HG   SER  25           HG       SER  25 -14.456  -3.818   1.966
  257    H    LEU  26           HN       LEU  26  -9.346  -3.144   2.157
  258    HA   LEU  26           HA       LEU  26  -9.166  -2.424   4.951
  259   1HB   LEU  26           HB2      LEU  26  -7.558  -1.551   2.546
  260   2HB   LEU  26           HB1      LEU  26  -7.226  -1.027   4.182
  261    HG   LEU  26           HG       LEU  26  -6.454  -3.479   2.822
  262   1HD1  LEU  26          HD11      LEU  26  -5.428  -1.604   4.723
  263   2HD1  LEU  26          HD12      LEU  26  -4.567  -2.816   3.775
  264   3HD1  LEU  26          HD13      LEU  26  -5.236  -3.241   5.349
  265   1HD2  LEU  26          HD21      LEU  26  -7.735  -3.716   5.537
  266   2HD2  LEU  26          HD22      LEU  26  -6.692  -4.937   4.809
  267   3HD2  LEU  26          HD23      LEU  26  -8.229  -4.525   4.050
  268    H    ASN  27           HN       ASN  27 -10.088  -0.685   5.867
  269    HA   ASN  27           HA       ASN  27 -11.236   1.356   4.086
  270   1HB   ASN  27           HB2      ASN  27 -12.141   1.676   6.785
  271   2HB   ASN  27           HB1      ASN  27 -13.076   1.255   5.356
  272   1HD2  ASN  27          HD21      ASN  27 -11.488   0.090   8.191
  273   2HD2  ASN  27          HD22      ASN  27 -12.092  -1.533   8.120
  274    H    SER  28           HN       SER  28 -11.515   3.527   5.541
  275    HA   SER  28           HA       SER  28  -9.032   4.748   5.595
  276   1HB   SER  28           HB2      SER  28 -10.841   6.229   5.532
  277   2HB   SER  28           HB1      SER  28 -11.668   5.426   6.870
  278    HG   SER  28           HG       SER  28  -9.196   6.754   7.219
  279    H    LYS  29           HN       LYS  29 -10.588   2.799   7.979
  280    HA   LYS  29           HA       LYS  29  -8.920   3.589  10.177
  281   1HB   LYS  29           HB2      LYS  29 -10.668   1.153   9.854
  282   2HB   LYS  29           HB1      LYS  29 -10.047   1.797  11.363
  283   1HG   LYS  29           HG2      LYS  29 -12.037   2.799  11.515
  284   2HG   LYS  29           HG1      LYS  29 -11.369   3.951  10.361
  285   1HD   LYS  29           HD2      LYS  29 -12.303   1.795   8.832
  286   2HD   LYS  29           HD1      LYS  29 -13.550   2.098  10.044
  287   1HE   LYS  29           HE2      LYS  29 -12.445   3.976   7.976
  288   2HE   LYS  29           HE1      LYS  29 -14.119   3.465   8.218
  289   1HZ   LYS  29           HZ1      LYS  29 -12.566   5.489   9.645
  290   2HZ   LYS  29           HZ2      LYS  29 -13.699   4.609  10.540
  291   3HZ   LYS  29           HZ3      LYS  29 -14.195   5.498   9.189
  292    H    GLU  30           HN       GLU  30  -9.174   0.744   8.074
  293    HA   GLU  30           HA       GLU  30  -6.896  -0.548   9.190
  294   1HB   GLU  30           HB2      GLU  30  -8.110  -1.061   6.475
  295   2HB   GLU  30           HB1      GLU  30  -7.164  -2.172   7.457
  296   1HG   GLU  30           HG2      GLU  30  -9.513  -1.227   8.859
  297   2HG   GLU  30           HG1      GLU  30  -9.924  -1.996   7.328
  298    H    LYS  31           HN       LYS  31  -7.509   1.568   6.460
  299    HA   LYS  31           HA       LYS  31  -5.034   1.296   5.178
  300   1HB   LYS  31           HB2      LYS  31  -5.746   3.005   3.838
  301   2HB   LYS  31           HB1      LYS  31  -7.280   2.573   4.560
  302   1HG   LYS  31           HG2      LYS  31  -7.114   4.382   6.133
  303   2HG   LYS  31           HG1      LYS  31  -5.491   4.773   5.548
  304   1HD   LYS  31           HD2      LYS  31  -6.350   5.408   3.406
  305   2HD   LYS  31           HD1      LYS  31  -7.968   4.845   3.833
  306   1HE   LYS  31           HE2      LYS  31  -7.992   6.551   5.655
  307   2HE   LYS  31           HE1      LYS  31  -6.466   7.171   5.025
  308   1HZ   LYS  31           HZ1      LYS  31  -7.920   7.199   2.818
  309   2HZ   LYS  31           HZ2      LYS  31  -7.863   8.508   3.889
  310   3HZ   LYS  31           HZ3      LYS  31  -9.158   7.422   3.949
  311    H    GLU  32           HN       GLU  32  -6.084   3.220   7.913
  312    HA   GLU  32           HA       GLU  32  -3.508   4.558   8.112
  313   1HB   GLU  32           HB2      GLU  32  -4.491   5.908   9.794
  314   2HB   GLU  32           HB1      GLU  32  -5.735   5.689   8.571
  315   1HG   GLU  32           HG2      GLU  32  -6.883   4.094   9.916
  316   2HG   GLU  32           HG1      GLU  32  -5.565   4.050  11.085
  317    H    GLU  33           HN       GLU  33  -5.401   2.104   9.760
  318    HA   GLU  33           HA       GLU  33  -3.610   1.754  11.953
  319   1HB   GLU  33           HB2      GLU  33  -5.850   0.079  10.823
  320   2HB   GLU  33           HB1      GLU  33  -4.951  -0.373  12.261
  321   1HG   GLU  33           HG2      GLU  33  -6.060   2.348  12.260
  322   2HG   GLU  33           HG1      GLU  33  -7.238   1.038  12.288
  323    H    VAL  34           HN       VAL  34  -4.035   0.282   8.811
  324    HA   VAL  34           HA       VAL  34  -2.120  -1.825   9.259
  325    HB   VAL  34           HB       VAL  34  -3.480  -0.875   6.727
  326   1HG1  VAL  34          HG11      VAL  34  -2.491  -2.518   5.511
  327   2HG1  VAL  34          HG12      VAL  34  -2.266  -3.573   6.904
  328   3HG1  VAL  34          HG13      VAL  34  -1.181  -2.208   6.648
  329   1HG2  VAL  34          HG21      VAL  34  -4.649  -2.101   8.804
  330   2HG2  VAL  34          HG22      VAL  34  -4.063  -3.511   7.922
  331   3HG2  VAL  34          HG23      VAL  34  -5.137  -2.358   7.129
  332    H    ALA  35           HN       ALA  35  -2.205   1.295   7.618
  333    HA   ALA  35           HA       ALA  35   0.279   1.149   6.339
  334   1HB   ALA  35           HB1      ALA  35  -0.814   2.925   5.527
  335   2HB   ALA  35           HB2      ALA  35   0.077   3.781   6.779
  336   3HB   ALA  35           HB3      ALA  35  -1.589   3.291   7.065
  337    H    LYS  36           HN       LYS  36  -0.533   1.950   9.647
  338    HA   LYS  36           HA       LYS  36   2.134   2.922  10.217
  339   1HB   LYS  36           HB2      LYS  36   1.313   3.424  12.404
  340   2HB   LYS  36           HB1      LYS  36   0.098   3.917  11.235
  341   1HG   LYS  36           HG2      LYS  36  -1.213   1.942  11.710
  342   2HG   LYS  36           HG1      LYS  36   0.029   1.359  12.820
  343   1HD   LYS  36           HD2      LYS  36  -1.653   2.340  14.168
  344   2HD   LYS  36           HD1      LYS  36  -0.317   3.494  14.129
  345   1HE   LYS  36           HE2      LYS  36  -1.462   4.806  12.443
  346   2HE   LYS  36           HE1      LYS  36  -2.769   3.624  12.377
  347   1HZ   LYS  36           HZ1      LYS  36  -3.633   5.201  13.773
  348   2HZ   LYS  36           HZ2      LYS  36  -2.143   5.584  14.474
  349   3HZ   LYS  36           HZ3      LYS  36  -2.934   4.151  14.901
  350    H    LYS  37           HN       LYS  37   0.466  -0.100  10.417
  351    HA   LYS  37           HA       LYS  37   2.525  -1.141  12.235
  352   1HB   LYS  37           HB2      LYS  37   1.065  -2.978  12.702
  353   2HB   LYS  37           HB1      LYS  37   0.123  -1.498  12.825
  354   1HG   LYS  37           HG2      LYS  37  -0.835  -1.896  10.638
  355   2HG   LYS  37           HG1      LYS  37   0.156  -3.342  10.444
  356   1HD   LYS  37           HD2      LYS  37  -1.084  -3.804  12.841
  357   2HD   LYS  37           HD1      LYS  37  -2.333  -2.949  11.935
  358   1HE   LYS  37           HE2      LYS  37  -1.147  -4.839  10.188
  359   2HE   LYS  37           HE1      LYS  37  -1.497  -5.665  11.706
  360   1HZ   LYS  37           HZ1      LYS  37  -3.608  -3.948  10.701
  361   2HZ   LYS  37           HZ2      LYS  37  -3.700  -5.490  11.391
  362   3HZ   LYS  37           HZ3      LYS  37  -3.282  -5.317   9.762
  363    H    CYS  38           HN       CYS  38   1.342  -1.350   8.984
  364    HA   CYS  38           HA       CYS  38   2.996  -3.696   8.454
  365   1HB   CYS  38           HB2      CYS  38   1.006  -2.236   6.712
  366   2HB   CYS  38           HB1      CYS  38   1.920  -3.656   6.211
  367    HG   CYS  38           HG       CYS  38   0.612  -4.774   8.414
  368    H    GLY  39           HN       GLY  39   2.915  -0.252   7.900
  369   1HA   GLY  39           HA2      GLY  39   5.127   0.756   7.552
  370   2HA   GLY  39           HA1      GLY  39   5.470  -0.547   6.426
  371    H    ILE  40           HN       ILE  40   2.324   0.915   6.340
  372    HA   ILE  40           HA       ILE  40   3.106   2.259   3.841
  373    HB   ILE  40           HB       ILE  40   0.240   2.000   4.188
  374   1HG1  ILE  40          HG12      ILE  40   1.806  -0.581   4.028
  375   2HG1  ILE  40          HG11      ILE  40   0.861  -0.060   5.413
  376   1HG2  ILE  40          HG21      ILE  40   0.321   1.863   1.961
  377   2HG2  ILE  40          HG22      ILE  40   1.487   0.544   1.995
  378   3HG2  ILE  40          HG23      ILE  40   2.041   2.211   2.128
  379   1HD1  ILE  40          HD11      ILE  40  -0.004  -1.571   3.240
  380   2HD1  ILE  40          HD12      ILE  40  -0.741   0.018   3.038
  381   3HD1  ILE  40          HD13      ILE  40  -0.988  -0.886   4.532
  382    H    THR  41           HN       THR  41   0.761   3.843   3.588
  383    HA   THR  41           HA       THR  41   0.555   5.469   5.974
  384    HB   THR  41           HB       THR  41   1.240   7.193   3.725
  385    HG1  THR  41           HG1      THR  41   3.290   5.528   4.752
  386   1HG2  THR  41          HG21      THR  41   1.734   8.507   5.425
  387   2HG2  THR  41          HG22      THR  41   3.090   7.453   5.827
  388   3HG2  THR  41          HG23      THR  41   1.509   7.172   6.557
  389    HA   PRO  42           HA       PRO  42  -3.562   6.350   4.701
  390   1HB   PRO  42           HB2      PRO  42  -2.828   9.240   4.907
  391   2HB   PRO  42           HB1      PRO  42  -4.212   8.380   5.593
  392   1HG   PRO  42           HG2      PRO  42  -2.146   9.047   7.127
  393   2HG   PRO  42           HG1      PRO  42  -2.963   7.486   7.332
  394   1HD   PRO  42           HD2      PRO  42  -0.326   8.096   6.093
  395   2HD   PRO  42           HD1      PRO  42  -0.843   6.662   7.001
  396    H    LEU  43           HN       LEU  43  -0.916   8.033   3.152
  397    HA   LEU  43           HA       LEU  43  -2.523   8.730   0.831
  398   1HB   LEU  43           HB2      LEU  43  -0.706  10.208   1.818
  399   2HB   LEU  43           HB1      LEU  43   0.452   9.067   1.163
  400    HG   LEU  43           HG       LEU  43  -0.573   9.512  -1.112
  401   1HD1  LEU  43          HD11      LEU  43  -1.810  11.596  -1.375
  402   2HD1  LEU  43          HD12      LEU  43  -1.809  11.826   0.373
  403   3HD1  LEU  43          HD13      LEU  43  -2.680  10.467  -0.336
  404   1HD2  LEU  43          HD21      LEU  43   0.778  11.763   0.371
  405   2HD2  LEU  43          HD22      LEU  43   0.635  11.649  -1.382
  406   3HD2  LEU  43          HD23      LEU  43   1.567  10.444  -0.495
  407    H    GLN  44           HN       GLN  44  -0.243   6.316   1.864
  408    HA   GLN  44           HA       GLN  44   0.227   5.328  -0.809
  409   1HB   GLN  44           HB2      GLN  44   0.874   3.745   1.635
  410   2HB   GLN  44           HB1      GLN  44   1.738   3.832   0.113
  411   1HG   GLN  44           HG2      GLN  44   1.609   6.095   2.083
  412   2HG   GLN  44           HG1      GLN  44   2.894   4.889   2.056
  413   1HE2  GLN  44          HE21      GLN  44   1.400   7.530   0.325
  414   2HE2  GLN  44          HE22      GLN  44   2.738   7.853  -0.729
  415    H    VAL  45           HN       VAL  45  -1.249   4.012   2.136
  416    HA   VAL  45           HA       VAL  45  -2.326   1.684   1.393
  417    HB   VAL  45           HB       VAL  45  -4.310   2.204   2.801
  418   1HG1  VAL  45          HG11      VAL  45  -3.004   1.678   4.519
  419   2HG1  VAL  45          HG12      VAL  45  -2.250   3.272   4.498
  420   3HG1  VAL  45          HG13      VAL  45  -1.613   1.984   3.478
  421   1HG2  VAL  45          HG21      VAL  45  -3.937   4.501   4.040
  422   2HG2  VAL  45          HG22      VAL  45  -4.865   4.418   2.544
  423   3HG2  VAL  45          HG23      VAL  45  -3.184   4.947   2.509
  424    H    ARG  46           HN       ARG  46  -3.477   4.822   0.259
  425    HA   ARG  46           HA       ARG  46  -5.762   3.651  -1.051
  426   1HB   ARG  46           HB2      ARG  46  -5.893   6.031  -2.050
  427   2HB   ARG  46           HB1      ARG  46  -6.246   5.806  -0.350
  428   1HG   ARG  46           HG2      ARG  46  -4.529   7.075   0.293
  429   2HG   ARG  46           HG1      ARG  46  -3.442   6.372  -0.902
  430   1HD   ARG  46           HD2      ARG  46  -5.431   8.594  -1.289
  431   2HD   ARG  46           HD1      ARG  46  -3.677   8.675  -1.443
  432    HE   ARG  46           HE       ARG  46  -4.357   6.857  -3.314
  433   1HH1  ARG  46          HH11      ARG  46  -5.512  10.076  -2.613
  434   2HH1  ARG  46          HH12      ARG  46  -5.931  10.418  -4.258
  435   1HH2  ARG  46          HH21      ARG  46  -4.907   7.307  -5.478
  436   2HH2  ARG  46          HH22      ARG  46  -5.588   8.847  -5.885
  437    H    VAL  47           HN       VAL  47  -2.773   5.295  -2.158
  438    HA   VAL  47           HA       VAL  47  -3.203   4.658  -4.903
  439    HB   VAL  47           HB       VAL  47  -0.932   5.414  -5.276
  440   1HG1  VAL  47          HG11      VAL  47  -2.845   7.020  -4.614
  441   2HG1  VAL  47          HG12      VAL  47  -1.193   7.634  -4.645
  442   3HG1  VAL  47          HG13      VAL  47  -1.947   7.212  -3.108
  443   1HG2  VAL  47          HG21      VAL  47  -0.681   5.108  -2.300
  444   2HG2  VAL  47          HG22      VAL  47   0.431   6.106  -3.233
  445   3HG2  VAL  47          HG23      VAL  47   0.308   4.377  -3.563
  446    H    TRP  48           HN       TRP  48  -1.275   3.249  -2.324
  447    HA   TRP  48           HA       TRP  48   0.018   1.279  -3.841
  448   1HB   TRP  48           HB2      TRP  48  -0.008   2.161  -1.164
  449   2HB   TRP  48           HB1      TRP  48  -0.363   0.440  -1.117
  450    HD1  TRP  48           HD1      TRP  48   2.475   2.798  -1.329
  451    HE1  TRP  48           HE1      TRP  48   4.655   1.535  -1.853
  452    HE3  TRP  48           HE3      TRP  48   0.487  -1.696  -2.698
  453    HZ2  TRP  48           HZ2      TRP  48   5.428  -1.039  -2.733
  454    HZ3  TRP  48           HZ3      TRP  48   2.002  -3.499  -3.362
  455    HH2  TRP  48           HH2      TRP  48   4.424  -3.188  -3.383
  456    H    PHE  49           HN       PHE  49  -2.857   1.023  -1.705
  457    HA   PHE  49           HA       PHE  49  -3.397  -1.670  -2.421
  458   1HB   PHE  49           HB2      PHE  49  -5.264   0.417  -1.277
  459   2HB   PHE  49           HB1      PHE  49  -5.619  -1.298  -1.398
  460    HD1  PHE  49           HD1      PHE  49  -2.443  -1.721  -0.663
  461    HD2  PHE  49           HD2      PHE  49  -5.851   0.081   1.139
  462    HE1  PHE  49           HE1      PHE  49  -1.459  -2.085   1.564
  463    HE2  PHE  49           HE2      PHE  49  -4.871  -0.278   3.363
  464    HZ   PHE  49           HZ       PHE  49  -2.673  -1.356   3.579
  465    H    ILE  50           HN       ILE  50  -3.830   1.258  -4.108
  466    HA   ILE  50           HA       ILE  50  -6.191   0.613  -5.539
  467    HB   ILE  50           HB       ILE  50  -4.097   2.670  -5.726
  468   1HG1  ILE  50          HG12      ILE  50  -6.360   2.977  -4.729
  469   2HG1  ILE  50          HG11      ILE  50  -6.001   4.128  -6.012
  470   1HG2  ILE  50          HG21      ILE  50  -4.844   3.350  -8.037
  471   2HG2  ILE  50          HG22      ILE  50  -5.527   1.732  -8.201
  472   3HG2  ILE  50          HG23      ILE  50  -3.792   1.937  -7.958
  473   1HD1  ILE  50          HD11      ILE  50  -7.328   1.725  -6.973
  474   2HD1  ILE  50          HD12      ILE  50  -7.708   3.425  -7.252
  475   3HD1  ILE  50          HD13      ILE  50  -8.274   2.622  -5.786
  476    H    ASN  51           HN       ASN  51  -2.764   0.453  -6.526
  477    HA   ASN  51           HA       ASN  51  -3.348  -1.029  -8.897
  478   1HB   ASN  51           HB2      ASN  51  -0.719  -0.573  -7.472
  479   2HB   ASN  51           HB1      ASN  51  -0.892  -1.255  -9.085
  480   1HD2  ASN  51          HD21      ASN  51  -2.632   0.254 -10.334
  481   2HD2  ASN  51          HD22      ASN  51  -2.122   1.910 -10.409
  482    H    LYS  52           HN       LYS  52  -2.497  -1.845  -5.612
  483    HA   LYS  52           HA       LYS  52  -1.933  -4.610  -6.223
  484   1HB   LYS  52           HB2      LYS  52  -1.977  -2.924  -3.759
  485   2HB   LYS  52           HB1      LYS  52  -2.114  -4.665  -3.569
  486   1HG   LYS  52           HG2      LYS  52   0.151  -3.116  -4.799
  487   2HG   LYS  52           HG1      LYS  52   0.175  -4.099  -3.336
  488   1HD   LYS  52           HD2      LYS  52  -0.699  -5.853  -5.291
  489   2HD   LYS  52           HD1      LYS  52   0.527  -4.887  -6.112
  490   1HE   LYS  52           HE2      LYS  52   1.724  -6.669  -5.192
  491   2HE   LYS  52           HE1      LYS  52   1.992  -5.342  -4.063
  492   1HZ   LYS  52           HZ1      LYS  52  -0.189  -7.287  -3.637
  493   2HZ   LYS  52           HZ2      LYS  52   0.561  -6.274  -2.509
  494   3HZ   LYS  52           HZ3      LYS  52   1.388  -7.618  -3.119
  495    H    ARG  53           HN       ARG  53  -4.547  -2.766  -4.732
  496    HA   ARG  53           HA       ARG  53  -6.251  -5.159  -4.871
  497   1HB   ARG  53           HB2      ARG  53  -5.769  -4.212  -2.573
  498   2HB   ARG  53           HB1      ARG  53  -6.670  -2.785  -3.060
  499   1HG   ARG  53           HG2      ARG  53  -8.635  -4.233  -3.498
  500   2HG   ARG  53           HG1      ARG  53  -7.726  -5.589  -2.837
  501   1HD   ARG  53           HD2      ARG  53  -9.237  -4.562  -1.188
  502   2HD   ARG  53           HD1      ARG  53  -7.546  -4.475  -0.702
  503    HE   ARG  53           HE       ARG  53  -7.579  -2.132  -1.406
  504   1HH1  ARG  53          HH11      ARG  53 -10.667  -3.683  -0.849
  505   2HH1  ARG  53          HH12      ARG  53 -11.494  -2.192  -0.556
  506   1HH2  ARG  53          HH21      ARG  53  -8.678  -0.183  -1.020
  507   2HH2  ARG  53          HH22      ARG  53 -10.370  -0.211  -0.653
  508    H    MET  54           HN       MET  54  -5.867  -3.443  -7.116
  509    HA   MET  54           HA       MET  54  -7.743  -1.420  -7.426
  510   1HB   MET  54           HB2      MET  54  -5.882  -2.617  -9.042
  511   2HB   MET  54           HB1      MET  54  -7.388  -3.105  -9.807
  512   1HG   MET  54           HG2      MET  54  -7.896  -1.008 -10.474
  513   2HG   MET  54           HG1      MET  54  -7.137  -0.257  -9.070
  514   1HE   MET  54           HE1      MET  54  -7.085  -0.587 -12.664
  515   2HE   MET  54           HE2      MET  54  -6.288  -2.152 -12.505
  516   3HE   MET  54           HE3      MET  54  -5.415  -0.784 -13.196
  517    H    ARG  55           HN       ARG  55  -9.642  -2.075  -6.324
  518    HA   ARG  55           HA       ARG  55 -11.165  -4.307  -7.401
  519   1HB   ARG  55           HB2      ARG  55 -11.738  -2.385  -5.138
  520   2HB   ARG  55           HB1      ARG  55 -12.795  -3.711  -5.603
  521   1HG   ARG  55           HG2      ARG  55  -9.973  -4.384  -5.017
  522   2HG   ARG  55           HG1      ARG  55 -10.992  -3.913  -3.655
  523   1HD   ARG  55           HD2      ARG  55 -11.975  -5.905  -3.645
  524   2HD   ARG  55           HD1      ARG  55 -12.418  -5.739  -5.343
  525    HE   ARG  55           HE       ARG  55  -9.770  -6.442  -5.365
  526   1HH1  ARG  55          HH11      ARG  55 -12.699  -7.827  -4.068
  527   2HH1  ARG  55          HH12      ARG  55 -12.141  -9.460  -4.218
  528   1HH2  ARG  55          HH21      ARG  55  -9.036  -8.590  -5.564
  529   2HH2  ARG  55          HH22      ARG  55 -10.063  -9.893  -5.067
  530    H    SER  56           HN       SER  56 -11.888  -0.885  -6.696
  531    HA   SER  56           HA       SER  56 -13.760  -0.905  -8.967
  532   1HB   SER  56           HB2      SER  56 -14.506  -0.337  -6.526
  533   2HB   SER  56           HB1      SER  56 -13.756   1.226  -6.851
  534    HG   SER  56           HG       SER  56 -15.158   1.487  -8.595
  535    H    LYS  57           HN       LYS  57 -12.146  -0.500 -10.525
  536    HA   LYS  57           HA       LYS  57 -10.635   0.709 -11.744
  537   1HB   LYS  57           HB2      LYS  57 -11.420   3.081 -12.157
  538   2HB   LYS  57           HB1      LYS  57 -12.591   1.812 -12.485
  539   1HG   LYS  57           HG2      LYS  57 -13.742   2.270 -10.423
  540   2HG   LYS  57           HG1      LYS  57 -12.508   3.441  -9.955
  541   1HD   LYS  57           HD2      LYS  57 -13.254   4.390 -12.393
  542   2HD   LYS  57           HD1      LYS  57 -14.774   3.716 -11.802
  543   1HE   LYS  57           HE2      LYS  57 -13.052   5.822 -10.514
  544   2HE   LYS  57           HE1      LYS  57 -14.705   5.986 -11.104
  545   1HZ   LYS  57           HZ1      LYS  57 -15.132   4.116  -9.349
  546   2HZ   LYS  57           HZ2      LYS  57 -15.065   5.739  -8.880
  547   3HZ   LYS  57           HZ3      LYS  57 -13.726   4.735  -8.641