*HEADER    ANTIFUNGAL PROTEIN                      13-MAY-03   1P9Z              
*TITLE     THE SOLUTION STRUCTURE OF ANTIFUNGAL PEPTIDE DISTINCT WITH            
*TITLE    2 A FIVE-DISULFIDE MOTIF FROM EUCOMMIA ULMOIDES OLIVER                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: EUCOMMIA ANTIFUNGAL PEPTIDE 2;                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 OTHER_DETAILS: EAFP2                                                 
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: EUCOMMIA ULMOIDES OLIVER;                       
*SOURCE   3 ORGANISM_COMMON: HARDY RUBBER TREE;                                  
*SOURCE   4 TISSUE: BARK                                                         
*KEYWDS    ANTIFUNGAL PEPTIDE, CHITIN-BINDING PEPTIDE, DISULFIDE                 
*KEYWDS   2 STABILIZED MOTIF                                                     
*EXPDTA    NMR, 21 STRUCTURES                                                    
*AUTHOR    R.H.HUANG, Y.XIANG, G.Z.TU, Y.ZHANG, D.C.WANG                         
*REVDAT   1   25-MAY-04 1P9Z    0                                                


 !for noe-restrains
assign (residue 1 and name HA ) (residue  1 and name HN ) 2.7 0.9 0.0 
  assign (residue 1 and name HA ) (residue  2 and name HN ) 3.5 1.7 0.0 
  assign (residue 1 and name HA ) (residue  3 and name HN ) 5.0 3.2 0.0 
  assign (residue 1 and name HA ) (residue 22 and name HD#) 5.0 3.2 2.4 
  assign (residue 1 and name HA ) (residue 22 and name HE#) 3.5 1.7 2.4 
  assign (residue 1 and name HB#) (residue  1 and name HN ) 5.0 3.2 1.0 
  assign (residue 1 and name HB#) (residue  2 and name HN ) 5.0 3.2 1.0 
  assign (residue 1 and name HB#) (residue 22 and name HD#) 5.0 3.2 3.4 
  assign (residue 1 and name HB#) (residue 22 and name HE#) 5.0 3.2 3.4 
  assign (residue 1 and name HG#) (residue  1 and name HN ) 5.0 3.2 1.0 
  assign (residue 1 and name HG#) (residue  2 and name HN ) 5.0 3.2 1.0 
  assign (residue 1 and name HG#) (residue 22 and name HD#) 5.0 3.2 3.4 
  assign (residue 1 and name HG#) (residue 22 and name HE#) 3.5 1.7 3.4 
  assign (residue 1 and name HN ) (residue  2 and name HN ) 2.7 0.9 0.0 
  assign (residue 1 and name HN ) (residue  3 and name HN ) 3.5 1.7 0.0 
  assign (residue 1 and name HN ) (residue 22 and name HD#) 5.0 3.2 2.4 
  assign (residue 1 and name HN ) (residue 22 and name HE#) 5.0 3.2 2.4 
  assign (residue 1 and name HN ) (residue 23 and name HN ) 6.0 4.2 0.0 
  assign (residue 2 and name HN) (residue  3 and name HN) 2.7 0.9 0.0 
  assign (residue 2 and name HA) (residue  2 and name HN) 3.5 1.7 0.0 
  assign (residue 2 and name HA) (residue  3 and name HN) 3.5 1.7 0.0 
  assign (residue 2 and name HB) (residue  2 and name HN) 5.0 3.2 0.0 
  assign (residue 2 and name HB) (residue  5 and name HN) 5.0 3.2 0.0 
  assign (residue 2 and name HG2#) (residue  1 and name HN ) 6.0 4.2 1.0 
  assign (residue 2 and name HG2#) (residue  1 and name HA ) 5.0 3.2 1.0 
  assign (residue 2 and name HG2#) (residue  1 and name HB#) 5.0 3.2 2.0 
  assign (residue 2 and name HG2#) (residue  1 and name HG#) 5.0 3.2 2.0 
  assign (residue 2 and name HG2#) (residue  2 and name HN) 3.5 1.7 1.0 
  assign (residue 2 and name HG2#) (residue  2 and name HA) 2.7 0.9 1.0 
  assign (residue 2 and name HG2#) (residue  2 and name HB) 2.7 0.9 1.0 
  assign (residue 2 and name HG2#) (residue  3 and name HN) 5.0 3.2 1.0 
  assign (residue 2 and name HG2#) (residue  5 and name HN) 5.0 3.2 1.0 
  assign (residue 3 and name HA ) (residue  3 and name HN ) 3.5 1.7 0.0 
  assign (residue 3 and name HA ) (residue  4 and name HN ) 5.0 3.2 0.0 
  assign (residue 3 and name HA ) (residue  5 and name HN ) 5.0 3.2 0.0 
  assign (residue 3 and name HA ) (residue  6 and name HN ) 5.0 3.2 0.0 
  assign (residue 3 and name HB#) (residue  1 and name HN ) 6.0 4.2 1.0 
  assign (residue 3 and name HB#) (residue  2 and name HN ) 5.0 3.2 1.0 
  assign (residue 3 and name HB#) (residue  3 and name HN ) 2.7 0.9 1.0 
  assign (residue 3 and name HB#) (residue  3 and name HA ) 2.7 0.9 1.0 
  assign (residue 3 and name HB#) (residue  4 and name HN ) 5.0 3.2 1.0 
  assign (residue 4 and name HN ) (residue  3 and name HN) 3.5 1.7 0.0 
  assign (residue 4 and name HA ) (residue  4 and name HN) 3.5 1.7 0.0 
  assign (residue 4 and name HA ) (residue  5 and name HN) 3.5 1.7 0.0 
  assign (residue 4 and name HA ) (residue  6 and name HN) 5.0 3.2 0.0 
  assign (residue 4 and name HA ) (residue  7 and name HN) 5.0 3.2 0.0 
  assign (residue 4 and name HA ) (residue 36 and name HE) 6.0 4.2 0.0 
  assign (residue 4 and name HB#) (residue  4 and name HN ) 3.5 1.7 1.0 
  assign (residue 4 and name HB#) (residue  4 and name HA ) 2.7 0.9 1.0 
  assign (residue 4 and name HB#) (residue  5 and name HN ) 3.5 1.7 1.0 
  assign (residue 4 and name HB#) (residue  7 and name HN ) 6.0 4.2 1.0 
  assign (residue 4 and name HB#) (residue 36 and name HG#) 5.0 3.2 2.0 
  assign (residue 4 and name HB#) (residue 36 and name HD#) 5.0 3.2 2.0 
  assign (residue 4 and name HB#) (residue 36 and name HE ) 5.0 3.2 1.0 
  assign (residue 5 and name HN ) (residue  3 and name HN) 5.0 3.2 0.0 
  assign (residue 5 and name HN ) (residue  4 and name HN) 3.5 1.7 0.0 
  assign (residue 5 and name HN ) (residue  6 and name HN) 5.0 3.2 0.0 
  assign (residue 5 and name HA ) (residue  5 and name HN) 3.5 1.7 0.0 
  assign (residue 5 and name HA ) (residue  6 and name HN) 3.5 1.7 0.0 
  assign (residue 5 and name HA ) (residue  7 and name HN) 5.0 3.2 0.0 
  assign (residue 5 and name HB#) (residue  2 and name HB) 5.0 3.2 1.0 
  assign (residue 5 and name HB#) (residue  5 and name HA) 2.7 0.9 1.0 
  assign (residue 5 and name HB#) (residue  5 and name HN) 2.7 0.9 1.0 
  assign (residue 5 and name HB#) (residue  6 and name HN) 5.0 3.2 1.0 
  assign (residue 6 and name HA ) (residue  6 and name HN ) 3.5 1.7 0.0 
  assign (residue 6 and name HA ) (residue  7 and name HN ) 3.5 1.7 0.0 
  assign (residue 6 and name HB#) (residue  3 and name HA ) 5.0 3.2 1.0 
  assign (residue 6 and name HB#) (residue  6 and name HN ) 2.7 0.9 1.0 
  assign (residue 6 and name HB#) (residue  6 and name HA ) 2.7 0.9 1.0 
  assign (residue 6 and name HB#) (residue  6 and name HD#) 3.5 1.7 2.0 
  assign (residue 6 and name HB#) (residue  6 and name HE ) 5.0 3.2 1.0 
  assign (residue 6 and name HB#) (residue  7 and name HN ) 5.0 3.2 1.0 
  assign (residue 6 and name HB#) (residue 10 and name HA ) 2.7 0.9 1.0 
  assign (residue 6 and name HB#) (residue 10 and name HB#) 3.5 1.7 2.0 
  assign (residue 6 and name HG#) (residue  3 and name HA ) 5.0 3.2 1.0 
  assign (residue 6 and name HG#) (residue  5 and name HN ) 6.0 4.2 1.0 
  assign (residue 6 and name HG#) (residue  5 and name HB#) 5.0 3.2 2.0 
  assign (residue 6 and name HG#) (residue  6 and name HN ) 3.5 1.7 1.0 
  assign (residue 6 and name HG#) (residue  6 and name HD#) 3.5 1.7 2.0 
  assign (residue 6 and name HD#) (residue  6 and name HE ) 3.5 1.7 1.0 
  assign (residue 7 and name HN ) (residue  5 and name HN ) 6.0 4.2 0.0 
  assign (residue 7 and name HN ) (residue  6 and name HN ) 2.7 0.9 0.0 
  assign (residue 7 and name HA ) (residue  7 and name HN ) 3.5 1.7 0.0 
  assign (residue 7 and name HA ) (residue  8 and name HA ) 3.5 1.7 0.0 
  assign (residue 7 and name HA ) (residue  9 and name HN ) 2.7 0.9 0.0 
  assign (residue 7 and name HA ) (residue  9 and name HA ) 5.0 3.2 0.0 
  assign (residue 7 and name HA ) (residue 10 and name HA ) 5.0 3.2 0.0 
  assign (residue 7 and name HB#) (residue  6 and name HN ) 5.0 3.2 1.0 
  assign (residue 7 and name HB#) (residue  7 and name HN ) 2.7 0.9 1.0 
  assign (residue 7 and name HB#) (residue  7 and name HA ) 2.7 0.9 1.0 
  assign (residue 7 and name HB#) (residue  8 and name HA ) 2.7 0.9 1.0 
  assign (residue 7 and name HB#) (residue 37 and name HB#) 5.0 3.2 2.0 
  assign (residue 8 and name HA ) (residue 38 and name HN ) 5.0 3.2 0.0 
  assign (residue 8 and name HB#) (residue  7 and name HA ) 5.0 3.2 1.0 
  assign (residue 8 and name HB#) (residue  8 and name HA ) 3.5 1.7 1.0 
  assign (residue 8 and name HB#) (residue  8 and name HD#) 3.5 1.7 2.0 
  assign (residue 8 and name HB#) (residue  9 and name HN ) 5.0 3.2 1.0 
  assign (residue 8 and name HG#) (residue  8 and name HA ) 3.5 1.7 1.0 
  assign (residue 8 and name HG#) (residue  8 and name HB#) 2.7 0.9 2.0 
  assign (residue 8 and name HG#) (residue  8 and name HD#) 2.7 0.9 2.0 
  assign (residue 8 and name HG#) (residue  9 and name HN ) 5.0 3.2 1.0 
  assign (residue 8 and name HD#) (residue  9 and name HN ) 3.5 1.7 1.0 
  assign (residue 8 and name HD#) (residue  8 and name HA ) 5.0 3.2 1.0 
  assign (residue 9 and name HA ) (residue  9 and name HN ) 3.5 1.7 0.0 
  assign (residue 9 and name HA ) (residue 11 and name HN ) 5.0 3.2 0.0 
  assign (residue 9 and name HB#) (residue  9 and name HN ) 3.5 1.7 1.0 
  assign (residue 9 and name HB#) (residue  9 and name HA ) 2.7 0.9 1.0 
  assign (residue 9 and name HB#) (residue  9 and name HD#) 3.5 1.7 2.0 
  assign (residue 9 and name HB#) (residue  9 and name HE ) 3.5 1.7 1.0 
  assign (residue 9 and name HB#) (residue 11 and name HN ) 5.0 3.2 1.0 
  assign (residue 9 and name HG#) (residue  9 and name HA ) 3.5 1.7 1.0 
  assign (residue 9 and name HG#) (residue  9 and name HN ) 5.0 3.2 1.0 
  assign (residue 9 and name HG#) (residue  9 and name HD#) 5.0 3.2 2.0 
  assign (residue 9 and name HD#) (residue  9 and name HA ) 5.0 3.2 1.0 
  assign (residue 10 and name HA ) (residue  6 and name HE ) 5.0 3.2 0.0 
  assign (residue 10 and name HA ) (residue  9 and name HA ) 5.0 3.2 0.0 
  assign (residue 10 and name HA ) (residue  9 and name HN ) 5.0 3.2 0.0 
  assign (residue 10 and name HA ) (residue 11 and name HN ) 5.0 3.2 0.0 
  assign (residue 10 and name HA ) (residue 11 and name HA ) 5.0 3.2 0.0 
  assign (residue 10 and name HG#) (residue  3 and name HA ) 5.0 3.2 1.0 
  assign (residue 10 and name HG#) (residue  3 and name HB#) 3.5 1.7 2.0 
  assign (residue 10 and name HG#) (residue  7 and name HA ) 3.5 1.7 1.0 
  assign (residue 10 and name HG#) (residue  7 and name HN ) 5.0 3.2 1.0 
  assign (residue 10 and name HG#) (residue  9 and name HA ) 5.0 3.2 1.0 
  assign (residue 10 and name HG#) (residue 10 and name HA ) 3.5 1.7 1.0 
  assign (residue 10 and name HG#) (residue 10 and name HD#) 3.5 1.7 2.0 
  assign (residue 10 and name HG#) (residue 11 and name HN ) 3.5 1.7 1.0 
  assign (residue 10 and name HG#) (residue 17 and name HN ) 5.0 3.2 1.0 
  assign (residue 10 and name HG#) (residue 17 and name HB#) 2.7 0.9 2.0 
  assign (residue 10 and name HB#) (residue  3 and name HN ) 6.0 4.2 1.0 
  assign (residue 10 and name HB#) (residue  3 and name HA ) 2.7 0.9 1.0 
  assign (residue 10 and name HB#) (residue  3 and name HB#) 3.5 1.7 2.0 
  assign (residue 10 and name HB#) (residue  6 and name HN ) 5.0 3.2 1.0 
  assign (residue 10 and name HB#) (residue 10 and name HA ) 2.7 0.9 1.0 
  assign (residue 10 and name HB#) (residue 10 and name HG#) 3.5 1.7 2.0 
  assign (residue 10 and name HB#) (residue 10 and name HD#) 5.0 3.2 2.0 
  assign (residue 10 and name HB#) (residue 11 and name HN ) 3.5 1.7 1.0 
  assign (residue 10 and name HB#) (residue 11 and name HA ) 5.0 3.2 1.0 
  assign (residue 10 and name HD#) (residue  7 and name HN ) 5.0 3.2 1.0 
  assign (residue 10 and name HD#) (residue  7 and name HA ) 3.5 1.7 1.0 
  assign (residue 10 and name HD#) (residue  8 and name HA ) 5.0 3.2 1.0 
  assign (residue 10 and name HD#) (residue  9 and name HN ) 3.5 1.7 1.0 
  assign (residue 10 and name HD#) (residue  9 and name HA ) 2.7 0.9 1.0 
  assign (residue 10 and name HD#) (residue 10 and name HA ) 5.0 3.2 1.0 
  assign (residue 10 and name HD#) (residue 11 and name HN ) 2.7 0.9 1.0 
  assign (residue 11 and name HA ) (residue 11 and name HN ) 3.5 1.7 0.0 
  assign (residue 11 and name HA ) (residue 12 and name HN ) 2.7 0.9 0.0  
  assign (residue 11 and name HB#) (residue 11 and name HN ) 2.7 0.9 1.0  
  assign (residue 11 and name HB#) (residue 11 and name HA ) 2.7 0.9 1.0 
  assign (residue 11 and name HB#) (residue 12 and name HN ) 3.5 1.7 1.0
  assign (residue 11 and name HB#) (residue 15 and name HN ) 5.0 3.2 1.0 
  assign (residue 11 and name HB#) (residue 16 and name HN ) 5.0 3.2 1.0 
  assign (residue 11 and name HB#) (residue 24 and name HN ) 5.0 3.2 1.0 
  assign (residue 11 and name HB#) (residue 38 and name HE2#) 5.0 3.2 2.0 
  assign (residue 12 and name HA  ) (residue 11 and name HA ) 5.0 3.2 0.0 
  assign (residue 12 and name HA  ) (residue 12 and name HN ) 3.5 1.7 0.0 
  assign (residue 12 and name HA  ) (residue 12 and name HD2#) 5.0 3.2 1.0 
  assign (residue 12 and name HA  ) (residue 13 and name HN ) 2.7 0.9 0.0 
  assign (residue 12 and name HA  ) (residue 38 and name HE2#) 6.0 4.2 1.0 
  assign (residue 12 and name HB# ) (residue 12 and name HN  ) 3.5 1.7 1.0 
  assign (residue 12 and name HB# ) (residue 12 and name HA  ) 2.7 0.9 1.0 
  assign (residue 12 and name HB# ) (residue 12 and name HD2#) 5.0 3.2 1.0 
  assign (residue 12 and name HB# ) (residue 13 and name HN  ) 2.7 0.9 1.0 
  assign (residue 12 and name HD2#) (residue 12 and name HN  ) 5.0 3.2 1.0 
  assign (residue 13 and name HN ) (residue 12 and name HN ) 5.0 3.2 0.0 
  assign (residue 13 and name HN ) (residue 14 and name HN ) 5.0 3.2 0.0 
  assign (residue 13 and name HA ) (residue 13 and name HN ) 3.5 1.7 0.0 
  assign (residue 13 and name HA ) (residue 14 and name HN ) 2.7 0.9 0.0 
  assign (residue 13 and name HA ) (residue 15 and name HN ) 3.5 1.7 0.0 
  assign (residue 13 and name HA ) (residue 38 and name HE2#) 5.0 3.2 1.0 
  assign (residue 13 and name HB#) (residue 13 and name HN ) 3.5 1.7 1.0 
  assign (residue 13 and name HB#) (residue 13 and name HA ) 2.7 0.9 1.0 
  assign (residue 13 and name HB#) (residue 14 and name HN ) 3.5 1.7 1.0 
  assign (residue 13 and name HB#) (residue 14 and name HA#) 5.0 3.2 2.0 
  assign (residue 14 and name HA#) (residue 14 and name HN) 2.7 0.9 1.0 
  assign (residue 14 and name HA#) (residue 15 and name HN) 3.5 1.7 1.0  
  assign (residue 15 and name HN) (residue 12 and name HN) 6.0 4.2 0.0 
  assign (residue 15 and name HN) (residue 14 and name HN) 2.7 0.9 0.0 
  assign (residue 15 and name HN) (residue 16 and name HN) 5.0 3.2 0.0 
  assign (residue 15 and name HA ) (residue 15 and name HN) 3.5 1.7 0.0 
  assign (residue 15 and name HA ) (residue 16 and name HN) 2.7 0.9 0.0 
  assign (residue 15 and name HA ) (residue 24 and name HN) 5.0 3.2 0.0 
  assign (residue 15 and name HA ) (residue 25 and name HA) 3.5 1.7 0.0 
  assign (residue 15 and name HB#) (residue 11 and name HA ) 5.0 3.2 1.0 
  assign (residue 15 and name HB#) (residue 11 and name HB#) 2.7 0.9 2.0 
  assign (residue 15 and name HB#) (residue 12 and name HN ) 5.0 3.2 1.0 
  assign (residue 15 and name HB#) (residue 14 and name HN ) 6.0 4.2 1.0 
  assign (residue 15 and name HB#) (residue 15 and name HN ) 2.7 0.9 1.0 
  assign (residue 15 and name HB#) (residue 15 and name HA ) 2.7 0.9 1.0 
  assign (residue 15 and name HB#) (residue 16 and name HN ) 2.7 0.9 1.0 
  assign (residue 15 and name HB#) (residue 23 and name HA ) 5.0 3.2 1.0 
  assign (residue 15 and name HB#) (residue 23 and name HB#) 3.5 1.7 2.0 
  assign (residue 15 and name HB#) (residue 24 and name HN ) 3.5 1.7 1.0 
  assign (residue 15 and name HB#) (residue 24 and name HA#) 5.0 3.2 2.0 
  assign (residue 15 and name HB#) (residue 25 and name HN ) 6.0 4.2 1.0 
  assign (residue 15 and name HB#) (residue 25 and name HA ) 5.0 3.2 1.0 
  assign (residue 15 and name HG ) (residue 12 and name HB#) 5.0 3.2 1.0 
  assign (residue 15 and name HG ) (residue 15 and name HN ) 3.5 1.7 0.0 
  assign (residue 15 and name HG ) (residue 15 and name HA ) 3.5 1.7 0.0 
  assign (residue 15 and name HG ) (residue 16 and name HN ) 5.0 3.2 0.0 
  assign (residue 15 and name HG ) (residue 24 and name HN ) 5.0 3.2 0.0 
  assign (residue 15 and name HD#) (residue 11 and name HA ) 5.0 3.2 2.4 
  assign (residue 15 and name HD#) (residue 11 and name HB#) 5.0 3.2 3.4 
  assign (residue 15 and name HD#) (residue 12 and name HA ) 5.0 3.2 2.4 
  assign (residue 15 and name HD#) (residue 12 and name HB#) 3.5 1.7 3.4 
  assign (residue 15 and name HD#) (residue 12 and name HD2#) 5.0 3.2 3.4 
  assign (residue 15 and name HD#) (residue 12 and name HN ) 5.0 3.2 2.4 
  assign (residue 15 and name HD#) (residue 13 and name HN ) 5.0 3.2 2.4 
  assign (residue 15 and name HD#) (residue 15 and name HN ) 5.0 3.2 2.4 
  assign (residue 15 and name HD#) (residue 15 and name HA ) 3.5 1.7 2.4 
  assign (residue 15 and name HD#) (residue 15 and name HB#) 3.5 1.7 3.4 
  assign (residue 15 and name HD#) (residue 15 and name HG ) 2.7 0.9 2.4 
  assign (residue 15 and name HD#) (residue 16 and name HN ) 5.0 3.2 2.4 
  assign (residue 15 and name HD#) (residue 23 and name HA ) 5.0 3.2 2.4 
  assign (residue 15 and name HD#) (residue 23 and name HB#) 5.0 3.2 3.4 
  assign (residue 15 and name HD#) (residue 24 and name HN ) 5.0 3.2 2.4 
  assign (residue 15 and name HD#) (residue 24 and name HA#) 3.5 1.7 3.4 
  assign (residue 15 and name HD#) (residue 25 and name HN ) 5.0 3.2 2.4 
  assign (residue 15 and name HD#) (residue 25 and name HA ) 5.0 3.2 2.4 
  assign (residue 15 and name HD#) (residue 25 and name HB#) 5.0 3.2 3.4 
  assign (residue 16 and name HA ) (residue 16 and name HN ) 3.5 1.7 0.0 
  assign (residue 16 and name HA ) (residue 17 and name HN ) 2.7 0.9 0.0 
  assign (residue 16 and name HA ) (residue 24 and name HN ) 6.0 4.2 0.0 
  assign (residue 16 and name HA ) (residue 37 and name HN ) 6.0 4.2 0.0 
  assign (residue 16 and name HB#) (residue 16 and name HN ) 2.7 0.9 1.0 
  assign (residue 16 and name HB#) (residue 16 and name HA ) 2.7 0.9 1.0 
  assign (residue 16 and name HB#) (residue 17 and name HN ) 2.7 0.9 1.0 
  assign (residue 16 and name HB#) (residue 24 and name HN ) 5.0 3.2 1.0 
  assign (residue 16 and name HB#) (residue 29 and name HB#) 5.0 3.2 2.0 
  assign (residue 16 and name HB#) (residue 29 and name HD#) 5.0 3.2 3.4 
  assign (residue 16 and name HB#) (residue 30 and name HN ) 5.0 3.2 1.0 
  assign (residue 16 and name HB#) (residue 30 and name HA ) 2.7 0.9 1.0 
  assign (residue 16 and name HB#) (residue 30 and name HB#) 3.5 1.7 2.0 
  assign (residue 16 and name HB#) (residue 35 and name HA ) 5.0 3.2 1.0 
  assign (residue 16 and name HB#) (residue 39 and name HA ) 5.0 3.2 1.0 
  assign (residue 17 and name HN ) (residue 16 and name HN ) 5.0 3.2 0.0 
  assign (residue 17 and name HN ) (residue 18 and name HN ) 5.0 3.2 0.0 
  assign (residue 17 and name HN ) (residue 36 and name HN ) 5.0 3.2 0.0 
  assign (residue 17 and name HN ) (residue 37 and name HN ) 3.5 1.7 0.0 
  assign (residue 17 and name HA ) (residue 18 and name HN ) 2.7 0.9 0.0 
  assign (residue 17 and name HA ) (residue 22 and name HN ) 6.0 4.2 0.0 
  assign (residue 17 and name HA ) (residue 23 and name HA ) 2.7 0.9 0.0 
  assign (residue 17 and name HA ) (residue 24 and name HN ) 5.0 3.2 0.0 
  assign (residue 17 and name HA ) (residue 29 and name HD#) 5.0 3.2 2.4 
  assign (residue 17 and name HA ) (residue 37 and name HN ) 6.0 4.2 0.0 
  assign (residue 17 and name HB#) (residue 10 and name HB#) 5.0 3.2 2.0 
  assign (residue 17 and name HB#) (residue 10 and name HD#) 5.0 3.2 2.0 
  assign (residue 17 and name HB#) (residue 11 and name HN ) 6.0 4.2 1.0 
  assign (residue 17 and name HB#) (residue 16 and name HA ) 6.0 4.2 1.0 
  assign (residue 17 and name HB#) (residue 17 and name HN ) 2.7 0.9 1.0 
  assign (residue 17 and name HB#) (residue 18 and name HN ) 5.0 3.2 1.0 
  assign (residue 17 and name HB#) (residue 36 and name HN ) 5.0 3.2 1.0 
  assign (residue 17 and name HB#) (residue 37 and name HN ) 3.5 1.7 1.0 
  assign (residue 18 and name HN ) (residue 36 and name HN ) 5.0 3.2 0.0 
  assign (residue 18 and name HA ) (residue 18 and name HN ) 3.5 1.7 0.0 
  assign (residue 18 and name HA ) (residue 19 and name HN ) 2.7 0.9 0.0 
  assign (residue 18 and name HA ) (residue 20 and name HN ) 5.0 3.2 0.0 
  assign (residue 18 and name HA ) (residue 21 and name HN ) 6.0 4.2 0.0 
  assign (residue 18 and name HA ) (residue 22 and name HN ) 5.0 3.2 0.0 
  assign (residue 18 and name HA ) (residue 29 and name HD#) 5.0 3.2 2.4 
  assign (residue 18 and name HA ) (residue 35 and name HN ) 6.0 4.2 0.0 
  assign (residue 18 and name HA ) (residue 36 and name HN ) 2.7 0.9 0.0 
  assign (residue 18 and name HA ) (residue 37 and name HN ) 5.0 3.2 0.0 
  assign (residue 18 and name HB#) (residue 18 and name HA ) 2.7 0.9 1.0 
  assign (residue 18 and name HB#) (residue 18 and name HN ) 2.7 0.9 1.0 
  assign (residue 18 and name HB#) (residue 19 and name HN ) 3.5 1.7 1.0 
  assign (residue 18 and name HB#) (residue 21 and name HN ) 6.0 4.2 1.0 
  assign (residue 18 and name HB#) (residue 22 and name HN ) 5.0 3.2 1.0 
  assign (residue 18 and name HB#) (residue 29 and name HA ) 3.5 1.7 1.0 
  assign (residue 18 and name HB#) (residue 29 and name HD#) 2.7 0.9 3.4 
  assign (residue 18 and name HB#) (residue 29 and name HE#) 5.0 3.2 3.4 
  assign (residue 19 and name HN) (residue 18 and name HN  ) 5.0 3.2 0.0 
  assign (residue 19 and name HN) (residue 36 and name HN  ) 3.5 1.7 0.0 
  assign (residue 19 and name HA) (residue 18 and name HA  ) 5.0 3.2 0.0 
  assign (residue 19 and name HA) (residue 19 and name HN  ) 2.7 0.9 0.0 
  assign (residue 19 and name HA) (residue 20 and name HN  ) 3.5 1.7 0.0 
  assign (residue 19 and name HA) (residue 20 and name HD# ) 6.0 4.2 2.4 
  assign (residue 19 and name HA) (residue 21 and name HN  ) 5.0 3.2 0.0 
  assign (residue 19 and name HA) (residue 36 and name HN  ) 3.5 1.7 0.0 
  assign (residue 19 and name HA) (residue 36 and name HA  ) 5.0 3.2 0.0 
  assign (residue 19 and name HA) (residue 36 and name HE  ) 3.5 1.7 0.0 
  assign (residue 19 and name HA) (residue 37 and name HN  ) 6.0 4.2 0.0 
  assign (residue 19 and name HB) (residue 19 and name HN  ) 5.0 3.2 0.0 
  assign (residue 19 and name HB) (residue 19 and name HA  ) 2.7 0.9 0.0 
  assign (residue 19 and name HB) (residue 20 and name HN  ) 5.0 3.2 0.0 
  assign (residue 19 and name HB) (residue 20 and name HE# ) 6.0 4.2 2.4 
  assign (residue 19 and name HB) (residue 21 and name HN  ) 6.0 4.2 0.0 
  assign (residue 19 and name HG1#) (residue 18 and name HA  ) 3.5 1.7 1.0 
  assign (residue 19 and name HG1#) (residue 18 and name HB# ) 5.0 3.2 2.0 
  assign (residue 19 and name HG1#) (residue 19 and name HN  ) 2.7 0.9 1.0 
  assign (residue 19 and name HG1#) (residue 19 and name HA  ) 3.5 1.7 1.0 
  assign (residue 19 and name HG1#) (residue 19 and name HB  ) 2.7 0.9 1.0 
  assign (residue 19 and name HG1#) (residue 19 and name HD1#) 3.5 1.7 2.0 
  assign (residue 19 and name HG1#) (residue 20 and name HN  ) 3.5 1.7 1.0 
  assign (residue 19 and name HG1#) (residue 20 and name HD# ) 3.5 1.7 3.4 
  assign (residue 19 and name HG1#) (residue 20 and name HE# ) 5.0 3.2 3.4 
  assign (residue 19 and name HG1#) (residue 34 and name HA  ) 3.5 1.7 1.0 
  assign (residue 19 and name HG1#) (residue 34 and name HB# ) 5.0 3.2 2.0 
  assign (residue 19 and name HG1#) (residue 35 and name HA  ) 5.0 3.2 1.0 
  assign (residue 19 and name HG2#) (residue 18 and name HA ) 5.0 3.2 1.0 
  assign (residue 19 and name HG2#) (residue 19 and name HN ) 3.5 1.7 1.0 
  assign (residue 19 and name HG2#) (residue 19 and name HA ) 2.7 0.9 1.0 
  assign (residue 19 and name HG2#) (residue 19 and name HB ) 2.7 0.9 1.0 
  assign (residue 19 and name HG2#) (residue 19 and name HG1#) 5.0 3.2 2.0 
  assign (residue 19 and name HG2#) (residue 20 and name HN ) 5.0 3.2 1.0 
  assign (residue 19 and name HG2#) (residue 34 and name HA ) 5.0 3.2 1.0 
  assign (residue 19 and name HG2#) (residue 35 and name HN ) 5.0 3.2 1.0 
  assign (residue 19 and name HG2#) (residue 35 and name HA ) 5.0 3.2 1.0 
  assign (residue 19 and name HG2#) (residue 36 and name HN ) 5.0 3.2 1.0 
  assign (residue 19 and name HG2#) (residue 36 and name HA ) 3.5 1.7 1.0 
  assign (residue 19 and name HG2#) (residue 36 and name HB#) 5.0 3.2 2.0 
  assign (residue 19 and name HG2#) (residue 36 and name HD#) 5.0 3.2 2.0 
  assign (residue 19 and name HG2#) (residue 36 and name HE ) 5.0 3.2 1.0 
  assign (residue 19 and name HG2#) (residue 37 and name HN ) 6.0 4.2 1.0 
  assign (residue 19 and name HD1#) (residue 19 and name HN ) 5.0 3.2 1.0 
  assign (residue 19 and name HD1#) (residue 19 and name HA ) 5.0 3.2 1.0 
  assign (residue 19 and name HD1#) (residue 19 and name HB ) 3.5 1.7 1.0 
  assign (residue 19 and name HD1#) (residue 20 and name HN ) 5.0 3.2 1.0 
  assign (residue 19 and name HD1#) (residue 20 and name HD#) 5.0 3.2 3.4 
  assign (residue 19 and name HD1#) (residue 20 and name HE#) 5.0 3.2 3.4 
  assign (residue 19 and name HD1#) (residue 34 and name HA ) 5.0 3.2 1.0 
  assign (residue 20 and name HN) (residue 19 and name HN ) 3.5 1.7 0.0 
  assign (residue 20 and name HN) (residue 21 and name HN ) 2.7 0.9 0.0 
  assign (residue 20 and name HA ) (residue 20 and name HD#) 2.7 0.9 2.4 
  assign (residue 20 and name HA ) (residue 20 and name HE#) 5.0 3.2 2.4 
  assign (residue 20 and name HA ) (residue 21 and name HN ) 3.5 1.7 0.0 
  assign (residue 20 and name HA ) (residue 22 and name HD#) 5.0 3.2 2.4 
  assign (residue 20 and name HB#) (residue 20 and name HN ) 3.5 1.7 1.0 
  assign (residue 20 and name HB#) (residue 20 and name HA ) 2.7 0.9 1.0 
  assign (residue 20 and name HB#) (residue 20 and name HD#) 2.7 0.9 3.4 
  assign (residue 20 and name HB#) (residue 20 and name HE#) 5.0 3.2 3.4 
  assign (residue 20 and name HB#) (residue 21 and name HN ) 5.0 3.2 1.0 
  assign (residue 20 and name HB#) (residue 22 and name HN ) 5.0 3.2 1.0 
  assign (residue 20 and name HB#) (residue 22 and name HD#) 3.5 1.7 3.4 
  assign (residue 20 and name HB#) (residue 22 and name HE#) 5.0 3.2 3.4 
  assign (residue 20 and name HD#) (residue 19 and name HN) 6.0 4.2 2.4 
  assign (residue 20 and name HD#) (residue 20 and name HN) 5.0 3.2 2.4 
  assign (residue 21 and name HN ) (residue 18 and name HN ) 5.0 3.2 0.0 
  assign (residue 21 and name HN ) (residue 19 and name HN ) 6.0 4.2 0.0 
  assign (residue 21 and name HA#) (residue  2 and name HN ) 5.0 3.2 1.0 
  assign (residue 21 and name HA#) (residue  3 and name HN ) 3.5 1.7 1.0 
  assign (residue 21 and name HA#) (residue  4 and name HN ) 5.0 3.2 1.0 
  assign (residue 21 and name HA#) (residue 18 and name HN ) 6.0 4.2 1.0 
  assign (residue 21 and name HA#) (residue 21 and name HN ) 2.7 0.9 1.0 
  assign (residue 21 and name HA#) (residue 22 and name HN ) 3.5 1.7 1.0 
  assign (residue 21 and name HA#) (residue 22 and name HD#) 5.0 3.2 3.4 
  assign (residue 21 and name HA#) (residue 22 and name HE#) 5.0 3.2 3.4 
  assign (residue 22 and name HN ) (residue 18 and name HN ) 3.5 1.7 0.0 
  assign (residue 22 and name HN ) (residue 21 and name HN ) 2.7 0.9 0.0 
  assign (residue 22 and name HA ) (residue  1 and name HN ) 5.0 3.2 0.0 
  assign (residue 22 and name HA ) (residue 22 and name HN ) 3.5 1.7 0.0 
  assign (residue 22 and name HA ) (residue 22 and name HD#) 3.5 1.7 2.4 
  assign (residue 22 and name HA ) (residue 22 and name HE#) 5.0 3.2 2.4 
  assign (residue 22 and name HA ) (residue 23 and name HN ) 3.5 1.7 0.0 
  assign (residue 22 and name HA ) (residue 23 and name HA ) 5.0 3.2 0.0 
  assign (residue 22 and name HA ) (residue 29 and name HE#) 5.0 3.2 2.4 
  assign (residue 22 and name HB#) (residue 22 and name HD#) 2.7 0.9 3.4 
  assign (residue 22 and name HB#) (residue 22 and name HE#) 5.0 3.2 3.4 
  assign (residue 22 and name HB#) (residue 22 and name HN ) 2.7 0.9 1.0 
  assign (residue 22 and name HB#) (residue 22 and name HA ) 3.5 1.7 1.0 
  assign (residue 22 and name HB#) (residue 23 and name HN ) 3.5 1.7 1.0 
  assign (residue 22 and name HB#) (residue 23 and name HA ) 5.0 3.2 1.0 
  assign (residue 22 and name HB#) (residue 29 and name HE#) 2.7 0.9 3.4 
  assign (residue 22 and name HB#) (residue 29 and name HD#) 5.0 3.2 3.4 
  assign (residue 22 and name HD#) (residue 21 and name HN ) 5.0 3.2 2.4 
  assign (residue 22 and name HD#) (residue 22 and name HN ) 3.5 1.7 2.4 
  assign (residue 22 and name HD#) (residue 23 and name HN ) 5.0 3.2 2.4 
  assign (residue 23 and name HA ) (residue 16 and name HN ) 5.0 3.2 0.0 
  assign (residue 23 and name HA ) (residue 17 and name HN ) 5.0 3.2 0.0 
  assign (residue 23 and name HA ) (residue 18 and name HN ) 3.5 1.7 0.0 
  assign (residue 23 and name HA ) (residue 23 and name HN ) 3.5 1.7 0.0 
  assign (residue 23 and name HA ) (residue 24 and name HN ) 2.7 0.9 0.0 
  assign (residue 23 and name HA ) (residue 29 and name HD#) 5.0 3.2 2.4 
  assign (residue 23 and name HA ) (residue 29 and name HE#) 5.0 3.2 2.4 
  assign (residue 23 and name HB#) (residue 11 and name HA ) 5.0 3.2 1.0 
  assign (residue 23 and name HB#) (residue 11 and name HB#) 5.0 3.2 2.0 
  assign (residue 23 and name HB#) (residue 16 and name HN ) 5.0 3.2 1.0 
  assign (residue 23 and name HB#) (residue 23 and name HA ) 2.7 0.9 1.0 
  assign (residue 23 and name HB#) (residue 23 and name HN ) 2.7 0.9 1.0 
  assign (residue 23 and name HB#) (residue 24 and name HN ) 3.5 1.7 1.0 
  assign (residue 24 and name HN) (residue 16 and name HN) 3.5 1.7 0.0 
  assign (residue 24 and name HN) (residue 18 and name HN) 5.0 3.2 0.0 
  assign (residue 24 and name HA#) (residue 16 and name HN ) 5.0 3.2 1.0 
  assign (residue 24 and name HA#) (residue 23 and name HA ) 5.0 3.2 1.0 
  assign (residue 24 and name HA#) (residue 24 and name HN ) 2.7 0.9 1.0 
  assign (residue 24 and name HA#) (residue 25 and name HN ) 2.7 0.9 1.0 
  assign (residue 24 and name HA#) (residue 25 and name HA ) 5.0 3.2 1.0 
  assign (residue 24 and name HA#) (residue 29 and name HD#) 3.5 1.7 3.4 
  assign (residue 24 and name HA#) (residue 29 and name HE#) 3.5 1.7 3.4 
  assign (residue 25 and name HN) (residue 24 and name HN) 5.0 3.2 0.0 
  assign (residue 25 and name HA) (residue 16 and name HN ) 3.5 1.7 0.0 
  assign (residue 25 and name HA) (residue 25 and name HN ) 3.5 1.7 0.0 
  assign (residue 25 and name HA) (residue 26 and name HN ) 2.7 0.9 0.0 
  assign (residue 25 and name HA) (residue 30 and name HN ) 5.0 3.2 0.0 
  assign (residue 25 and name HA) (residue 29 and name HN ) 5.0 3.2 2.4 
  assign (residue 25 and name HA) (residue 29 and name HD#) 5.0 3.2 2.4 
  assign (residue 25 and name HB#) (residue 15 and name HA ) 5.0 3.2 1.0 
  assign (residue 25 and name HB#) (residue 25 and name HN ) 2.7 0.9 1.0 
  assign (residue 25 and name HB#) (residue 25 and name HA ) 2.7 0.9 1.0 
  assign (residue 25 and name HB#) (residue 26 and name HN ) 3.5 1.7 1.0 
  assign (residue 26 and name HN ) (residue 27 and name HN) 5.0 3.2 0.0 
  assign (residue 26 and name HA#) (residue 26 and name HN) 3.5 1.7 1.0 
  assign (residue 26 and name HA#) (residue 27 and name HN) 2.7 0.9 1.0 
  assign (residue 26 and name HA#) (residue 28 and name HN) 5.0 3.2 1.0 
  assign (residue 27 and name HA) (residue 27 and name HN ) 3.5 1.7 0.0 
  assign (residue 27 and name HA) (residue 28 and name HN ) 5.0 3.2 0.0 
  assign (residue 27 and name HA) (residue 29 and name HN ) 5.0 3.2 0.0 
  assign (residue 27 and name HA) (residue 30 and name HN ) 3.5 1.7 0.0 
  assign (residue 27 and name HA) (residue 31 and name HN ) 3.5 1.7 0.0 
  assign (residue 27 and name HB#) (residue 27 and name HN  ) 2.7 0.9 1.0 
  assign (residue 27 and name HB#) (residue 27 and name HA  ) 2.7 0.9 1.0 
  assign (residue 27 and name HB#) (residue 28 and name HN  ) 3.5 1.7 1.0 
  assign (residue 27 and name HB#) (residue 29 and name HN  ) 6.0 4.2 1.0 
  assign (residue 27 and name HB#) (residue 31 and name HN  ) 5.0 3.2 1.0 
  assign (residue 27 and name HB#) (residue 34 and name HD2#) 5.0 3.2 2.0 
  assign (residue 28 and name HA ) (residue 28 and name HN  ) 3.5 1.7 0.0 
  assign (residue 28 and name HA ) (residue 29 and name HN  ) 3.5 1.7 0.0 
  assign (residue 28 and name HA ) (residue 30 and name HN  ) 5.0 3.2 0.0 
  assign (residue 28 and name HA ) (residue 31 and name HN  ) 5.0 3.2 0.0 
  assign (residue 28 and name HA ) (residue 34 and name HD2#) 2.7 0.9 1.0 
  assign (residue 28 and name HB#) (residue 27 and name HN  ) 5.0 3.2 1.0 
  assign (residue 28 and name HB#) (residue 28 and name HN  ) 2.7 0.9 1.0 
  assign (residue 28 and name HB#) (residue 28 and name HA  ) 2.7 0.9 1.0 
  assign (residue 28 and name HB#) (residue 29 and name HN  ) 5.0 3.2 1.0 
  assign (residue 28 and name HB#) (residue 29 and name HA  ) 5.0 3.2 1.0 
  assign (residue 28 and name HB#) (residue 29 and name HD# ) 5.0 3.2 3.4 
  assign (residue 28 and name HB#) (residue 29 and name HE# ) 5.0 3.2 3.4 
  assign (residue 28 and name HB#) (residue 30 and name HN  ) 5.0 3.2 1.0 
  assign (residue 28 and name HB#) (residue 34 and name HD2#) 5.0 3.2 2.0 
  assign (residue 29 and name HN) (residue 27 and name HN ) 5.0 3.2 0.0 
  assign (residue 29 and name HN) (residue 28 and name HN ) 2.7 0.9 0.0 
  assign (residue 29 and name HN) (residue 30 and name HN ) 2.7 0.9 0.0 
  assign (residue 29 and name HN) (residue 31 and name HN ) 5.0 3.2 0.0 
  assign (residue 29 and name HA) (residue 18 and name HN ) 5.0 3.2 0.0 
  assign (residue 29 and name HA) (residue 18 and name HA ) 3.5 1.7 0.0 
  assign (residue 29 and name HA) (residue 19 and name HN ) 6.0 4.2 0.0 
  assign (residue 29 and name HA) (residue 24 and name HN ) 6.0 4.2 0.0 
  assign (residue 29 and name HA) (residue 29 and name HD#) 3.5 1.7 2.4 
  assign (residue 29 and name HA) (residue 29 and name HE#) 5.0 3.2 2.4 
  assign (residue 29 and name HA) (residue 29 and name HN ) 3.5 1.7 0.0 
  assign (residue 29 and name HA) (residue 30 and name HN ) 3.5 1.7 0.0 
  assign (residue 29 and name HB#) (residue 16 and name HN ) 3.5 1.7 1.0 
  assign (residue 29 and name HB#) (residue 18 and name HA ) 5.0 3.2 1.0 
  assign (residue 29 and name HB#) (residue 18 and name HN ) 5.0 3.2 1.0 
  assign (residue 29 and name HB#) (residue 18 and name HB#) 5.0 3.2 2.0 
  assign (residue 29 and name HB#) (residue 24 and name HN ) 3.5 1.7 1.0 
  assign (residue 29 and name HB#) (residue 25 and name HA ) 5.0 3.2 1.0 
  assign (residue 29 and name HB#) (residue 28 and name HN ) 5.0 3.2 1.0 
  assign (residue 29 and name HB#) (residue 29 and name HN ) 2.7 0.9 1.0 
  assign (residue 29 and name HB#) (residue 29 and name HA ) 2.7 0.9 1.0 
  assign (residue 29 and name HB#) (residue 29 and name HD#) 2.7 0.9 3.4 
  assign (residue 29 and name HB#) (residue 29 and name HE#) 5.0 3.2 3.4 
  assign (residue 29 and name HB#) (residue 30 and name HN ) 3.5 1.7 1.0 
  assign (residue 29 and name HD#) (residue 16 and name HN) 5.0 3.2 2.4 
  assign (residue 29 and name HD#) (residue 18 and name HN) 3.5 1.7 2.4 
  assign (residue 29 and name HD#) (residue 24 and name HN) 3.5 1.7 2.4 
  assign (residue 29 and name HD#) (residue 25 and name HN) 5.0 3.2 2.4 
  assign (residue 29 and name HD#) (residue 28 and name HN) 5.0 3.2 2.4 
  assign (residue 29 and name HD#) (residue 29 and name HN) 3.5 1.7 2.4 
  assign (residue 29 and name HD#) (residue 30 and name HN) 5.0 3.2 2.4 
  assign (residue 29 and name HE#) (residue 18 and name HN ) 5.0 3.2 2.4 
  assign (residue 29 and name HE#) (residue 22 and name HN ) 6.0 4.2 2.4 
  assign (residue 29 and name HE#) (residue 23 and name HN ) 5.0 3.2 2.4 
  assign (residue 29 and name HE#) (residue 24 and name HN ) 5.0 3.2 2.4 
  assign (residue 29 and name HE#) (residue 25 and name HN ) 5.0 3.2 2.4 
  assign (residue 29 and name HE#) (residue 28 and name HN ) 6.0 4.2 2.4 
  assign (residue 29 and name HE#) (residue 29 and name HN ) 5.0 3.2 2.4 
  assign (residue 30 and name HN ) (residue 28 and name HN) 5.0 3.2 0.0 
  assign (residue 30 and name HA ) (residue 30 and name HN) 3.5 1.7 0.0 
  assign (residue 30 and name HA ) (residue 31 and name HN) 5.0 3.2 0.0 
  assign (residue 30 and name HB#) (residue 25 and name HA) 5.0 3.2 1.0 
  assign (residue 30 and name HB#) (residue 27 and name HA) 3.5 1.7 1.0 
  assign (residue 30 and name HB#) (residue 30 and name HN) 3.5 1.7 1.0 
  assign (residue 30 and name HB#) (residue 31 and name HN) 5.0 3.2 1.0 
  assign (residue 31 and name HA#) (residue 31 and name HN) 3.5 1.7 1.0 
  assign (residue 31 and name HA#) (residue 32 and name HN) 2.7 0.9 1.0 
  assign (residue 32 and name HA ) (residue 32 and name HN) 3.5 1.7 0.0 
  assign (residue 32 and name HA ) (residue 33 and name HN) 3.5 1.7 0.0 
  assign (residue 32 and name HA ) (residue 34 and name HN) 5.0 3.2 0.0 
  assign (residue 32 and name HA ) (residue 35 and name HN) 5.0 3.2 0.0 
  assign (residue 32 and name HB#) (residue 32 and name HN) 3.5 1.7 1.0 
  assign (residue 32 and name HB#) (residue 32 and name HA) 2.7 0.9 1.0 
  assign (residue 32 and name HB#) (residue 33 and name HN) 3.5 1.7 1.0 
  assign (residue 33 and name HA#) (residue 33 and name HN) 3.5 1.7 1.0 
  assign (residue 33 and name HA#) (residue 34 and name HN) 3.5 1.7 1.0 
  assign (residue 34 and name HN) (residue 32 and name HN) 6.0 4.2 0.0 
  assign (residue 34 and name HN) (residue 33 and name HN) 2.7 0.9 0.0 
  assign (residue 34 and name HA) (residue 19 and name HN) 5.0 3.2 0.0 
  assign (residue 34 and name HA) (residue 34 and name HN) 3.5 1.7 1.0 
  assign (residue 34 and name HB#) (residue 18 and name HA  ) 5.0 3.2 1.0 
  assign (residue 34 and name HB#) (residue 19 and name HN  ) 5.0 3.2 1.0 
  assign (residue 34 and name HB#) (residue 31 and name HN  ) 3.5 1.7 1.0 
  assign (residue 34 and name HB#) (residue 34 and name HN  ) 3.5 1.7 1.0 
  assign (residue 34 and name HB#) (residue 34 and name HA  ) 3.5 1.7 1.0 
  assign (residue 34 and name HB#) (residue 34 and name HD2#) 2.7 0.9 2.0 
  assign (residue 34 and name HB#) (residue 35 and name HN  ) 3.5 1.7 1.0 
  assign (residue 34 and name HB#) (residue 35 and name HB# ) 5.0 3.2 2.0 
  assign (residue 34 and name HD2#) (residue 28 and name HN) 6.0 4.2 1.0 
  assign (residue 34 and name HD2#) (residue 31 and name HN) 5.0 3.2 1.0 
  assign (residue 34 and name HD2#) (residue 34 and name HN) 6.0 4.2 1.0 
  assign (residue 35 and name HN ) (residue 33 and name HN) 5.0 3.2 0.0 
  assign (residue 35 and name HN ) (residue 34 and name HN) 2.7 0.9 0.0 
  assign (residue 35 and name HN ) (residue 36 and name HN) 5.0 3.2 0.0 
  assign (residue 35 and name HA ) (residue 18 and name HA) 5.0 3.2 0.0 
  assign (residue 35 and name HA ) (residue 19 and name HN) 5.0 3.2 0.0 
  assign (residue 35 and name HA ) (residue 35 and name HN) 3.5 1.7 0.0 
  assign (residue 35 and name HA ) (residue 36 and name HN) 2.7 0.9 0.0 
  assign (residue 35 and name HA ) (residue 37 and name HN) 5.0 3.2 0.0 
  assign (residue 35 and name HB#) (residue 16 and name HB#) 5.0 3.2 2.0 
  assign (residue 35 and name HB#) (residue 18 and name HA ) 5.0 3.2 1.0 
  assign (residue 35 and name HB#) (residue 31 and name HN ) 5.0 3.2 1.0 
  assign (residue 35 and name HB#) (residue 34 and name HN ) 5.0 3.2 1.0 
  assign (residue 35 and name HB#) (residue 35 and name HN ) 2.7 0.9 1.0 
  assign (residue 35 and name HB#) (residue 35 and name HA ) 3.5 1.7 1.0 
  assign (residue 35 and name HB#) (residue 36 and name HN ) 5.0 3.2 1.0 
  assign (residue 36 and name HA) (residue 19 and name HN ) 6.0 4.2 0.0 
  assign (residue 36 and name HA) (residue 36 and name HN ) 3.5 1.7 0.0 
  assign (residue 36 and name HA) (residue 36 and name HE ) 5.0 3.2 0.0 
  assign (residue 36 and name HA) (residue 37 and name HN ) 5.0 3.2 0.0 
  assign (residue 36 and name HB#) (residue 18 and name HA) 5.0 3.2 1.0 
  assign (residue 36 and name HB#) (residue 19 and name HN) 5.0 3.2 1.0 
  assign (residue 36 and name HB#) (residue 19 and name HA) 2.7 0.9 1.0 
  assign (residue 36 and name HB#) (residue 35 and name HA) 5.0 3.2 1.0 
  assign (residue 36 and name HB#) (residue 36 and name HN) 2.7 0.9 1.0 
  assign (residue 36 and name HB#) (residue 36 and name HA) 2.7 0.9 1.0 
  assign (residue 36 and name HB#) (residue 36 and name HD#) 5.0 3.2 2.0 
  assign (residue 36 and name HB#) (residue 36 and name HE) 5.0 3.2 1.0 
  assign (residue 36 and name HB#) (residue 37 and name HN) 2.7 0.9 1.0 
  assign (residue 36 and name HG#) (residue  4 and name HA ) 5.0 3.2 1.0 
  assign (residue 36 and name HG#) (residue 18 and name HA ) 6.0 4.2 1.0 
  assign (residue 36 and name HG#) (residue 19 and name HA ) 5.0 3.2 1.0 
  assign (residue 36 and name HG#) (residue 36 and name HN ) 5.0 3.2 1.0 
  assign (residue 36 and name HG#) (residue 36 and name HA ) 3.5 1.7 1.0 
  assign (residue 36 and name HG#) (residue 36 and name HB#) 3.5 1.7 2.0 
  assign (residue 36 and name HG#) (residue 36 and name HD#) 3.5 1.7 2.0 
  assign (residue 36 and name HG#) (residue 36 and name HE ) 3.5 1.7 1.0 
  assign (residue 36 and name HG#) (residue 37 and name HN ) 3.5 1.7 1.0 
  assign (residue 36 and name HG#) (residue 37 and name HA ) 5.0 3.2 1.0 
  assign (residue 36 and name HG#) (residue 37 and name HB#) 5.0 3.2 2.0 
  assign (residue 36 and name HD#) (residue 36 and name HN ) 5.0 3.2 1.0 
  assign (residue 36 and name HD#) (residue 36 and name HA ) 3.5 1.7 1.0 
  assign (residue 36 and name HD#) (residue 36 and name HE ) 3.5 1.7 1.0 
  assign (residue 37 and name HN ) (residue 36 and name HN ) 2.7 0.9 0.0 
  assign (residue 37 and name HN ) (residue 38 and name HN ) 5.0 3.2 0.0 
  assign (residue 37 and name HA ) (residue 37 and name HN ) 3.5 1.7 0.0 
  assign (residue 37 and name HA ) (residue 38 and name HN ) 5.0 3.2 0.0 
  assign (residue 37 and name HB#) (residue  8 and name HA ) 3.5 1.7 1.0 
  assign (residue 37 and name HB#) (residue 37 and name HA ) 3.5 1.7 1.0 
  assign (residue 37 and name HB#) (residue 37 and name HN ) 3.5 1.7 1.0 
  assign (residue 37 and name HB#) (residue 38 and name HN ) 3.5 1.7 1.0 
  assign (residue 38 and name HA) (residue 38 and name HN ) 2.7 0.9 0.0 
  assign (residue 38 and name HA) (residue 39 and name HN ) 2.7 0.9 0.0 
  assign (residue 38 and name HA) (residue 40 and name HN ) 5.0 3.2 0.0 
  assign (residue 38 and name HB#) (residue 10 and name HD#) 5.0 3.2 2.0 
  assign (residue 38 and name HB#) (residue 16 and name HA ) 3.5 1.7 1.0 
  assign (residue 38 and name HB#) (residue 17 and name HN ) 3.5 1.7 1.0 
  assign (residue 38 and name HB#) (residue 38 and name HN  ) 3.5 1.7 1.0 
  assign (residue 38 and name HB#) (residue 38 and name HA  ) 2.7 0.9 1.0 
  assign (residue 38 and name HB#) (residue 38 and name HG# ) 2.7 0.9 2.0 
  assign (residue 38 and name HB#) (residue 39 and name HN  ) 5.0 3.2 1.0 
  assign (residue 38 and name HG#) (residue  9 and name HA  ) 5.0 3.2 1.0 
  assign (residue 38 and name HG#) (residue 16 and name HA  ) 5.0 3.2 1.0 
  assign (residue 38 and name HG#) (residue 17 and name HN  ) 6.0 4.2 1.0 
  assign (residue 38 and name HG#) (residue 38 and name HA  ) 2.7 0.9 1.0 
  assign (residue 38 and name HG#) (residue 38 and name HE2#) 3.5 1.7 2.0 
  assign (residue 38 and name HG#) (residue 38 and name HN  ) 6.0 4.2 1.0 
  assign (residue 38 and name HG#) (residue 39 and name HN  ) 6.0 4.2 1.0 
  assign (residue 38 and name HG#) (residue 41 and name HN  ) 5.0 3.2 1.0 
  assign (residue 38 and name HE2#) (residue 11 and name HN ) 5.0 3.2 1.0 
  assign (residue 38 and name HE2#) (residue 14 and name HN ) 5.0 3.2 1.0 
  assign (residue 38 and name HE2#) (residue 15 and name HN ) 6.0 4.2 1.0 
  assign (residue 39 and name HN   ) (residue 38 and name HN  ) 2.7 0.9 0.0 
  assign (residue 39 and name HN   ) (residue 40 and name HN  ) 2.7 0.9 0.0 
  assign (residue 39 and name HA   ) (residue 39 and name HN  ) 3.5 1.7 0.0 
  assign (residue 39 and name HA   ) (residue 40 and name HN  ) 3.5 1.7 0.0 
  assign (residue 39 and name HA   ) (residue 41 and name HN  ) 5.0 3.2 0.0 
  assign (residue 39 and name HB#) (residue 39 and name HN ) 2.7 0.9 1.0 
  assign (residue 39 and name HB#) (residue 39 and name HA ) 2.7 0.9 1.0 
  assign (residue 39 and name HB#) (residue 40 and name HN ) 3.5 1.7 1.0 
  assign (residue 40 and name HN ) (residue 38 and name HN ) 6.0 4.2 0.0 
  assign (residue 40 and name HA ) (residue 40 and name HN ) 3.5 1.7 0.0 
  assign (residue 40 and name HA ) (residue 41 and name HN ) 3.5 1.7 0.0 
  assign (residue 40 and name HB#) (residue 40 and name HN ) 2.7 0.9 1.0 
  assign (residue 40 and name HB#) (residue 40 and name HA ) 2.7 0.9 1.0 
  assign (residue 40 and name HB#) (residue 40 and name HD#) 5.0 3.2 2.0 
  assign (residue 40 and name HB#) (residue 41 and name HN ) 5.0 3.2 1.0 
  assign (residue 40 and name HG#) (residue 40 and name HN ) 3.5 1.7 1.0 
  assign (residue 40 and name HG#) (residue 40 and name HA ) 3.5 1.7 1.0 
  assign (residue 40 and name HD#) (residue 40 and name HN ) 5.0 3.2 1.0 
  assign (residue 40 and name HD#) (residue 40 and name HA ) 5.0 3.2 1.0 
  assign (residue 41 and name HN ) (residue 40 and name HN ) 2.7 0.9 0.0 
  assign (residue 41 and name HA#) (residue 40 and name HN ) 6.0 4.2 1.0 
  assign (residue 41 and name HA#) (residue 41 and name HN ) 2.7 0.9 1.0 

! For H-bonds
  assign (resid 16 and name HN) (resid 24 and name O ) 1.7 0.0 0.7 
  assign (resid 16 and name N ) (resid 24 and name O ) 2.7 0.0 0.7
  assign (resid 24 and name HN) (resid 16 and name O ) 1.7 0.0 0.7 
  assign (resid 24 and name N ) (resid 16 and name O ) 2.7 0.0 0.7
  assign (resid 18 and name HN) (resid 22 and name O ) 1.7 0.0 0.7 
  assign (resid 18 and name N ) (resid 22 and name O ) 2.7 0.0 0.7
  assign (resid 22 and name HN) (resid 18 and name O ) 1.7 0.0 0.7 
  assign (resid 22 and name N ) (resid 18 and name O ) 2.7 0.0 0.7
   assign (resid 37 and name HN) (resid 17 and name O ) 1.7 0.0 0.7 
   assign (resid 37 and name N ) (resid 17 and name O ) 2.7 0.0 0.7
   assign (resid 17 and name HN) (resid 37 and name O ) 1.7 0.0 0.7 
   assign (resid 17 and name N ) (resid 37 and name O ) 2.7 0.0 0.7
  assign (resid 30 and name HN) (resid 26 and name O ) 1.7 0.0 0.7
  assign (resid 30 and name N ) (resid 26 and name O ) 2.7 0.0 0.7  
  assign (resid 29 and name HN) (resid 25 and name O ) 1.7 0.0 0.7 
  assign (resid 29 and name N ) (resid 25 and name O ) 2.7 0.0 0.7 
  assign (resid 7 and name HN) (resid 4 and name O ) 1.7 0.0 0.7
  assign (resid 7 and name N ) (resid 4 and name O ) 2.7 0.0 0.7
  assign (resid 6 and name HN) (resid 3 and name O ) 1.7 0.0 0.7
  assign (resid 6 and name N ) (resid 3 and name O ) 2.7 0.0 0.7

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    HN   PCA   1           HN       PCA   1  -8.868   2.535  -1.591
    2    HA   PCA   1           HA       PCA   1 -10.415   4.380  -2.222
    3   1HB   PCA   1          1HB       PCA   1 -12.576   3.756  -1.897
    4   2HB   PCA   1          2HB       PCA   1 -12.249   3.184  -0.258
    5   1HG   PCA   1          1HG       PCA   1 -12.219   1.706  -2.798
    6   2HG   PCA   1          2HG       PCA   1 -12.364   1.093  -1.141
    7    H    THR   2           H        THR   2  -9.472   2.773   0.742
    8    HA   THR   2           HA       THR   2  -8.916   5.356   1.958
    9    HB   THR   2           HB       THR   2 -10.041   4.697   4.083
   10    HG1  THR   2           HG1      THR   2 -10.949   2.823   4.257
   11   1HG2  THR   2          1HG2      THR   2 -11.208   6.184   2.515
   12   2HG2  THR   2          2HG2      THR   2 -12.310   5.163   3.438
   13   3HG2  THR   2          3HG2      THR   2 -11.946   4.772   1.757
   14    H    CYS   3           H        CYS   3  -7.173   3.418   0.944
   15    HA   CYS   3           HA       CYS   3  -6.203   1.658   2.942
   16   1HB   CYS   3          1HB       CYS   3  -5.733   1.320   0.558
   17   2HB   CYS   3          2HB       CYS   3  -4.788   2.804   0.526
   18    H    ALA   4           H        ALA   4  -5.036   4.820   1.793
   19    HA   ALA   4           HA       ALA   4  -2.857   5.092   3.492
   20   1HB   ALA   4          1HB       ALA   4  -2.834   7.365   2.928
   21   2HB   ALA   4          2HB       ALA   4  -4.583   7.419   2.709
   22   3HB   ALA   4          3HB       ALA   4  -3.573   6.573   1.537
   23    H    SER   5           H        SER   5  -6.260   5.513   4.129
   24    HA   SER   5           HA       SER   5  -5.994   6.959   6.559
   25   1HB   SER   5          1HB       SER   5  -8.092   6.387   4.950
   26   2HB   SER   5          2HB       SER   5  -8.355   5.202   6.229
   27    HG   SER   5           HG       SER   5  -8.224   8.017   6.436
   28    H    ARG   6           H        ARG   6  -5.778   3.597   5.725
   29    HA   ARG   6           HA       ARG   6  -5.804   2.838   8.560
   30   1HB   ARG   6          1HB       ARG   6  -5.877   1.090   6.094
   31   2HB   ARG   6          2HB       ARG   6  -5.989   0.525   7.756
   32   1HG   ARG   6          1HG       ARG   6  -7.989   2.444   7.529
   33   2HG   ARG   6          2HG       ARG   6  -8.048   1.545   6.012
   34   1HD   ARG   6          1HD       ARG   6  -8.248   0.444   8.809
   35   2HD   ARG   6          2HD       ARG   6  -9.506   0.468   7.574
   36    HE   ARG   6           HE       ARG   6  -7.165  -0.964   6.754
   37   1HH1  ARG   6          1HH1      ARG   6 -10.147  -1.204   8.551
   38   2HH1  ARG   6          2HH1      ARG   6 -10.270  -2.921   8.358
   39   1HH2  ARG   6          1HH2      ARG   6  -7.326  -3.222   6.499
   40   2HH2  ARG   6          2HH2      ARG   6  -8.669  -4.066   7.194
   41    H    CYS   7           H        CYS   7  -3.582   4.234   7.171
   42    HA   CYS   7           HA       CYS   7  -1.478   2.258   6.962
   43   1HB   CYS   7          1HB       CYS   7  -1.733   5.181   6.475
   44   2HB   CYS   7          2HB       CYS   7  -0.130   4.571   6.871
   45    HA   PRO   8           HA       PRO   8   0.848   2.854   7.035
   46   1HB   PRO   8          1HB       PRO   8   2.951   1.656   8.166
   47   2HB   PRO   8          2HB       PRO   8   2.726   3.406   8.272
   48   1HG   PRO   8          1HG       PRO   8   2.154   1.295  10.312
   49   2HG   PRO   8          2HG       PRO   8   2.882   2.896  10.532
   50   1HD   PRO   8          1HD       PRO   8   0.234   2.299  11.029
   51   2HD   PRO   8          2HD       PRO   8   0.849   3.925  10.674
   52    H    ARG   9           H        ARG   9  -0.860   0.846   9.068
   53    HA   ARG   9           HA       ARG   9  -0.106  -1.552   7.530
   54   1HB   ARG   9          1HB       ARG   9  -0.961  -1.194  10.378
   55   2HB   ARG   9          2HB       ARG   9  -1.296  -2.713   9.559
   56   1HG   ARG   9          1HG       ARG   9   1.312  -2.405   8.950
   57   2HG   ARG   9          2HG       ARG   9   1.249  -1.599  10.519
   58   1HD   ARG   9          1HD       ARG   9  -0.251  -3.967  10.774
   59   2HD   ARG   9          2HD       ARG   9   1.226  -4.402   9.915
   60    HE   ARG   9           HE       ARG   9   2.422  -4.001  11.829
   61   1HH1  ARG   9          1HH1      ARG   9  -0.780  -2.660  12.186
   62   2HH1  ARG   9          2HH1      ARG   9  -0.581  -2.311  13.870
   63   1HH2  ARG   9          1HH2      ARG   9   2.685  -3.542  14.044
   64   2HH2  ARG   9          2HH2      ARG   9   1.386  -2.810  14.925
   65    HA   PRO  10           HA       PRO  10  -4.509  -0.449   6.467
   66   1HB   PRO  10          1HB       PRO  10  -4.224  -0.450   3.787
   67   2HB   PRO  10          2HB       PRO  10  -3.845   0.968   4.772
   68   1HG   PRO  10          1HG       PRO  10  -1.998  -1.086   3.618
   69   2HG   PRO  10          2HG       PRO  10  -1.813   0.676   3.678
   70   1HD   PRO  10          1HD       PRO  10  -0.586  -1.016   5.428
   71   2HD   PRO  10          2HD       PRO  10  -1.049   0.647   5.843
   72    H    CYS  11           H        CYS  11  -2.354  -2.695   4.734
   73    HA   CYS  11           HA       CYS  11  -4.558  -4.649   4.684
   74   1HB   CYS  11          1HB       CYS  11  -2.207  -4.289   2.824
   75   2HB   CYS  11          2HB       CYS  11  -3.243  -5.712   2.802
   76    H    ASN  12           H        ASN  12  -3.435  -6.980   4.337
   77    HA   ASN  12           HA       ASN  12  -2.141  -7.509   6.838
   78   1HB   ASN  12          1HB       ASN  12  -3.370  -9.074   4.677
   79   2HB   ASN  12          2HB       ASN  12  -1.991  -9.864   5.435
   80   1HD2  ASN  12          1HD2      ASN  12  -4.123 -11.217   5.799
   81   2HD2  ASN  12          2HD2      ASN  12  -4.837 -10.986   7.355
   82    H    ALA  13           H        ALA  13  -0.334  -9.448   6.439
   83    HA   ALA  13           HA       ALA  13   1.945  -7.977   5.472
   84   1HB   ALA  13          1HB       ALA  13   1.579 -10.613   6.848
   85   2HB   ALA  13          2HB       ALA  13   2.407  -9.164   7.418
   86   3HB   ALA  13          3HB       ALA  13   3.137 -10.158   6.157
   87    H    GLY  14           H        GLY  14   3.188  -8.391   3.694
   88   1HA   GLY  14          1HA       GLY  14   3.925  -9.869   1.925
   89   2HA   GLY  14          2HA       GLY  14   2.322 -10.590   1.929
   90    H    LEU  15           H        LEU  15   1.046  -7.915   2.120
   91    HA   LEU  15           HA       LEU  15   1.344  -7.183  -0.712
   92   1HB   LEU  15          1HB       LEU  15  -0.977  -6.577   1.117
   93   2HB   LEU  15          2HB       LEU  15  -0.916  -6.352  -0.621
   94    HG   LEU  15           HG       LEU  15  -0.434  -9.003  -0.490
   95   1HD1  LEU  15          1HD1      LEU  15  -0.758  -8.766   2.052
   96   2HD1  LEU  15          2HD1      LEU  15  -1.585 -10.081   1.215
   97   3HD1  LEU  15          3HD1      LEU  15  -2.474  -8.626   1.668
   98   1HD2  LEU  15          1HD2      LEU  15  -2.094  -8.428  -1.940
   99   2HD2  LEU  15          2HD2      LEU  15  -2.891  -7.364  -0.781
  100   3HD2  LEU  15          3HD2      LEU  15  -3.077  -9.113  -0.647
  101    H    CYS  16           H        CYS  16   1.105  -4.912  -1.280
  102    HA   CYS  16           HA       CYS  16   1.920  -3.084   0.879
  103   1HB   CYS  16          1HB       CYS  16   3.005  -3.087  -1.946
  104   2HB   CYS  16          2HB       CYS  16   3.447  -1.961  -0.667
  105    H    CYS  17           H        CYS  17   1.270  -0.910   0.655
  106    HA   CYS  17           HA       CYS  17  -1.188  -0.603  -0.858
  107   1HB   CYS  17          1HB       CYS  17  -0.939   0.128   1.546
  108   2HB   CYS  17          2HB       CYS  17   0.125   1.408   0.975
  109    H    SER  18           H        SER  18  -1.349   0.415  -2.744
  110    HA   SER  18           HA       SER  18   1.004   1.759  -3.820
  111   1HB   SER  18          1HB       SER  18  -0.050   0.101  -5.253
  112   2HB   SER  18          2HB       SER  18  -1.599   0.934  -5.129
  113    HG   SER  18           HG       SER  18  -0.513   1.468  -7.061
  114    H    ILE  19           H        ILE  19   1.119   3.889  -4.302
  115    HA   ILE  19           HA       ILE  19  -0.286   5.782  -2.930
  116    HB   ILE  19           HB       ILE  19   0.419   7.400  -4.765
  117   1HG1  ILE  19          1HG1      ILE  19   2.249   5.362  -5.853
  118   2HG1  ILE  19          2HG1      ILE  19   0.563   5.156  -6.315
  119   1HG2  ILE  19          1HG2      ILE  19   2.318   5.630  -3.267
  120   2HG2  ILE  19          2HG2      ILE  19   1.806   7.276  -2.895
  121   3HG2  ILE  19          3HG2      ILE  19   2.896   6.976  -4.248
  122   1HD1  ILE  19          1HD1      ILE  19   2.219   6.606  -7.745
  123   2HD1  ILE  19          2HD1      ILE  19   1.771   7.852  -6.580
  124   3HD1  ILE  19          3HD1      ILE  19   0.528   7.065  -7.552
  125    H    TYR  20           H        TYR  20  -1.167   4.265  -5.953
  126    HA   TYR  20           HA       TYR  20  -3.105   6.058  -6.854
  127   1HB   TYR  20          1HB       TYR  20  -2.375   3.274  -7.372
  128   2HB   TYR  20          2HB       TYR  20  -4.095   3.583  -7.584
  129    HD1  TYR  20           HD1      TYR  20  -4.408   3.552  -9.895
  130    HD2  TYR  20           HD2      TYR  20  -1.206   5.833  -8.268
  131    HE1  TYR  20           HE1      TYR  20  -3.965   4.504 -12.118
  132    HE2  TYR  20           HE2      TYR  20  -0.755   6.792 -10.487
  133    HH   TYR  20           HH       TYR  20  -2.112   7.199 -12.629
  134    H    GLY  21           H        GLY  21  -3.145   3.900  -4.170
  135   1HA   GLY  21          1HA       GLY  21  -4.763   4.237  -2.425
  136   2HA   GLY  21          2HA       GLY  21  -5.942   4.659  -3.657
  137    H    TYR  22           H        TYR  22  -3.741   1.894  -3.655
  138    HA   TYR  22           HA       TYR  22  -5.804   0.044  -2.877
  139   1HB   TYR  22          1HB       TYR  22  -4.908   0.234  -5.749
  140   2HB   TYR  22          2HB       TYR  22  -5.596  -1.241  -5.078
  141    HD1  TYR  22           HD1      TYR  22  -6.284   2.116  -6.280
  142    HD2  TYR  22           HD2      TYR  22  -7.952  -1.272  -4.321
  143    HE1  TYR  22           HE1      TYR  22  -8.544   2.974  -6.732
  144    HE2  TYR  22           HE2      TYR  22 -10.216  -0.424  -4.768
  145    HH   TYR  22           HH       TYR  22 -11.059   1.533  -6.907
  146    H    CYS  23           H        CYS  23  -4.998  -1.944  -2.287
  147    HA   CYS  23           HA       CYS  23  -2.158  -2.076  -1.866
  148   1HB   CYS  23          1HB       CYS  23  -4.524  -3.696  -1.050
  149   2HB   CYS  23          2HB       CYS  23  -2.945  -4.472  -1.014
  150    H    GLY  24           H        GLY  24  -1.237  -4.478  -2.199
  151   1HA   GLY  24          1HA       GLY  24  -1.894  -6.153  -4.226
  152   2HA   GLY  24          2HA       GLY  24  -1.149  -4.803  -5.067
  153    H    SER  25           H        SER  25   0.638  -5.911  -5.790
  154    HA   SER  25           HA       SER  25   2.720  -6.320  -3.818
  155   1HB   SER  25          1HB       SER  25   1.264  -8.523  -4.398
  156   2HB   SER  25          2HB       SER  25   2.468  -8.607  -5.684
  157    HG   SER  25           HG       SER  25   2.754  -9.320  -3.168
  158    H    GLY  26           H        GLY  26   4.638  -7.512  -5.312
  159   1HA   GLY  26          1HA       GLY  26   6.213  -7.101  -6.929
  160   2HA   GLY  26          2HA       GLY  26   4.875  -6.663  -7.979
  161    H    ALA  27           H        ALA  27   6.363  -5.079  -8.864
  162    HA   ALA  27           HA       ALA  27   7.156  -2.866  -7.179
  163   1HB   ALA  27          1HB       ALA  27   8.313  -3.920  -9.336
  164   2HB   ALA  27          2HB       ALA  27   8.529  -2.232  -8.872
  165   3HB   ALA  27          3HB       ALA  27   7.365  -2.660 -10.126
  166    H    ALA  28           H        ALA  28   4.605  -3.627  -9.425
  167    HA   ALA  28           HA       ALA  28   3.722  -1.058 -10.072
  168   1HB   ALA  28          1HB       ALA  28   2.518  -3.761 -10.063
  169   2HB   ALA  28          2HB       ALA  28   2.655  -2.583 -11.368
  170   3HB   ALA  28          3HB       ALA  28   1.412  -2.389 -10.132
  171    H    TYR  29           H        TYR  29   3.140  -3.045  -7.238
  172    HA   TYR  29           HA       TYR  29   1.539  -0.858  -6.083
  173   1HB   TYR  29          1HB       TYR  29   1.561  -3.798  -5.370
  174   2HB   TYR  29          2HB       TYR  29   0.616  -2.566  -4.541
  175    HD1  TYR  29           HD1      TYR  29  -1.240  -1.421  -5.748
  176    HD2  TYR  29           HD2      TYR  29   0.827  -4.738  -7.428
  177    HE1  TYR  29           HE1      TYR  29  -3.076  -1.745  -7.351
  178    HE2  TYR  29           HE2      TYR  29  -1.002  -5.071  -9.036
  179    HH   TYR  29           HH       TYR  29  -3.168  -2.902  -9.835
  180    H    CYS  30           H        CYS  30   4.256  -3.014  -5.595
  181    HA   CYS  30           HA       CYS  30   4.935  -1.535  -3.138
  182   1HB   CYS  30          1HB       CYS  30   4.519  -4.147  -3.173
  183   2HB   CYS  30          2HB       CYS  30   6.178  -4.180  -3.761
  184    H    GLY  31           H        GLY  31   5.559  -0.378  -5.550
  185   1HA   GLY  31          1HA       GLY  31   8.412  -0.966  -5.967
  186   2HA   GLY  31          2HA       GLY  31   7.383  -0.080  -7.081
  187    H    ALA  32           H        ALA  32   9.875   0.866  -6.301
  188    HA   ALA  32           HA       ALA  32   9.768   2.675  -4.130
  189   1HB   ALA  32          1HB       ALA  32  11.681   3.764  -5.654
  190   2HB   ALA  32          2HB       ALA  32  11.599   2.164  -6.392
  191   3HB   ALA  32          3HB       ALA  32  11.938   2.324  -4.668
  192    H    GLY  33           H        GLY  33   8.179   4.166  -4.078
  193   1HA   GLY  33          1HA       GLY  33   7.624   6.430  -4.666
  194   2HA   GLY  33          2HA       GLY  33   8.080   6.068  -6.324
  195    H    ASN  34           H        ASN  34   6.580   3.440  -6.063
  196    HA   ASN  34           HA       ASN  34   3.931   4.574  -6.626
  197   1HB   ASN  34          1HB       ASN  34   5.469   2.270  -7.691
  198   2HB   ASN  34          2HB       ASN  34   3.726   2.058  -7.556
  199   1HD2  ASN  34          1HD2      ASN  34   4.284   1.869  -9.970
  200   2HD2  ASN  34          2HD2      ASN  34   4.103   3.322 -10.888
  201    H    CYS  35           H        CYS  35   4.997   3.955  -3.930
  202    HA   CYS  35           HA       CYS  35   2.800   2.209  -3.084
  203   1HB   CYS  35          1HB       CYS  35   4.215   1.025  -1.511
  204   2HB   CYS  35          2HB       CYS  35   4.884   0.863  -3.131
  205    H    ARG  36           H        ARG  36   1.598   3.153  -1.581
  206    HA   ARG  36           HA       ARG  36   2.453   5.623  -0.372
  207   1HB   ARG  36          1HB       ARG  36   0.074   4.947  -1.185
  208   2HB   ARG  36          2HB       ARG  36  -0.055   4.155   0.379
  209   1HG   ARG  36          1HG       ARG  36  -0.878   6.139   1.023
  210   2HG   ARG  36          2HG       ARG  36   0.826   6.582   1.147
  211   1HD   ARG  36          1HD       ARG  36   0.137   8.306  -0.157
  212   2HD   ARG  36          2HD       ARG  36   0.445   7.131  -1.435
  213    HE   ARG  36           HE       ARG  36  -2.144   6.684  -0.811
  214   1HH1  ARG  36          1HH1      ARG  36  -0.362   9.575  -1.614
  215   2HH1  ARG  36          2HH1      ARG  36  -1.724  10.364  -2.335
  216   1HH2  ARG  36          1HH2      ARG  36  -3.936   7.721  -1.760
  217   2HH2  ARG  36          2HH2      ARG  36  -3.753   9.312  -2.418
  218    H    CYS  37           H        CYS  37   1.885   2.307   0.671
  219    HA   CYS  37           HA       CYS  37   3.413   2.843   3.093
  220   1HB   CYS  37          1HB       CYS  37   0.547   1.971   3.038
  221   2HB   CYS  37          2HB       CYS  37   1.602   1.406   4.329
  222    H    GLN  38           H        GLN  38   3.867   0.758   4.291
  223    HA   GLN  38           HA       GLN  38   4.781  -1.321   4.319
  224   1HB   GLN  38          1HB       GLN  38   2.560  -1.652   2.339
  225   2HB   GLN  38          2HB       GLN  38   3.707  -2.963   2.576
  226   1HG   GLN  38          1HG       GLN  38   3.017  -2.274   5.144
  227   2HG   GLN  38          2HG       GLN  38   1.508  -2.072   4.255
  228   1HE2  GLN  38          1HE2      GLN  38   0.509  -3.822   5.192
  229   2HE2  GLN  38          2HE2      GLN  38   0.969  -5.454   4.864
  230    H    CYS  39           H        CYS  39   6.248   0.549   3.014
  231    HA   CYS  39           HA       CYS  39   7.190  -0.714   0.541
  232   1HB   CYS  39          1HB       CYS  39   8.019   1.954   1.692
  233   2HB   CYS  39          2HB       CYS  39   8.330   1.353   0.067
  234    H    ARG  40           H        ARG  40   8.152   0.072   3.806
  235    HA   ARG  40           HA       ARG  40  10.909  -0.682   3.391
  236   1HB   ARG  40          1HB       ARG  40   9.805   0.994   5.141
  237   2HB   ARG  40          2HB       ARG  40   9.746  -0.462   6.124
  238   1HG   ARG  40          1HG       ARG  40  11.753   0.737   6.631
  239   2HG   ARG  40          2HG       ARG  40  12.180  -0.745   5.773
  240   1HD   ARG  40          1HD       ARG  40  12.886   0.369   3.917
  241   2HD   ARG  40          2HD       ARG  40  11.745   1.693   4.145
  242    HE   ARG  40           HE       ARG  40  14.431   1.533   5.136
  243   1HH1  ARG  40          1HH1      ARG  40  11.284   2.945   5.666
  244   2HH1  ARG  40          2HH1      ARG  40  11.903   4.303   6.545
  245   1HH2  ARG  40          1HH2      ARG  40  15.247   3.319   6.291
  246   2HH2  ARG  40          2HH2      ARG  40  14.153   4.515   6.899
  247    H    GLY  41           H        GLY  41   7.971  -2.143   4.614
  248   1HA   GLY  41          1HA       GLY  41   8.525  -4.742   4.137
  249   2HA   GLY  41          2HA       GLY  41   9.339  -4.463   5.669
  Start of MODEL    2
    1    HN   PCA   1           HN       PCA   1  -8.190   0.324  -1.061
    2    HA   PCA   1           HA       PCA   1  -9.083   1.831  -2.830
    3   1HB   PCA   1          1HB       PCA   1 -11.356   1.829  -2.808
    4   2HB   PCA   1          2HB       PCA   1 -11.419   2.114  -1.065
    5   1HG   PCA   1          1HG       PCA   1 -11.447  -0.423  -2.550
    6   2HG   PCA   1          2HG       PCA   1 -11.973  -0.084  -0.891
    7    H    THR   2           H        THR   2  -9.030   1.804   0.672
    8    HA   THR   2           HA       THR   2  -7.960   4.508   0.670
    9    HB   THR   2           HB       THR   2  -9.562   4.928   2.720
   10    HG1  THR   2           HG1      THR   2 -10.480   2.756   2.424
   11   1HG2  THR   2          1HG2      THR   2  -9.758   5.564  -0.061
   12   2HG2  THR   2          2HG2      THR   2 -10.250   6.509   1.344
   13   3HG2  THR   2          3HG2      THR   2 -11.367   5.349   0.627
   14    H    CYS   3           H        CYS   3  -6.557   2.215   1.109
   15    HA   CYS   3           HA       CYS   3  -6.430   1.455   3.844
   16   1HB   CYS   3          1HB       CYS   3  -4.432   0.241   3.238
   17   2HB   CYS   3          2HB       CYS   3  -5.627   0.038   1.963
   18    H    ALA   4           H        ALA   4  -5.157   4.113   2.067
   19    HA   ALA   4           HA       ALA   4  -2.862   4.742   3.509
   20   1HB   ALA   4          1HB       ALA   4  -4.847   6.462   2.054
   21   2HB   ALA   4          2HB       ALA   4  -3.247   5.942   1.526
   22   3HB   ALA   4          3HB       ALA   4  -3.406   7.130   2.819
   23    H    SER   5           H        SER   5  -6.233   5.223   4.295
   24    HA   SER   5           HA       SER   5  -5.864   7.078   6.400
   25   1HB   SER   5          1HB       SER   5  -8.033   6.527   5.169
   26   2HB   SER   5          2HB       SER   5  -8.140   5.107   6.210
   27    HG   SER   5           HG       SER   5  -7.898   6.695   7.989
   28    H    ARG   6           H        ARG   6  -5.316   3.694   6.193
   29    HA   ARG   6           HA       ARG   6  -5.185   3.511   9.129
   30   1HB   ARG   6          1HB       ARG   6  -5.870   1.527   7.009
   31   2HB   ARG   6          2HB       ARG   6  -5.096   0.947   8.477
   32   1HG   ARG   6          1HG       ARG   6  -6.933   2.200   9.731
   33   2HG   ARG   6          2HG       ARG   6  -7.754   2.298   8.172
   34   1HD   ARG   6          1HD       ARG   6  -8.514   0.373   9.487
   35   2HD   ARG   6          2HD       ARG   6  -7.737  -0.122   7.983
   36    HE   ARG   6           HE       ARG   6  -5.953  -0.058  10.235
   37   1HH1  ARG   6          1HH1      ARG   6  -8.280  -1.985   8.487
   38   2HH1  ARG   6          2HH1      ARG   6  -7.635  -3.493   9.045
   39   1HH2  ARG   6          1HH2      ARG   6  -5.105  -2.040  10.968
   40   2HH2  ARG   6          2HH2      ARG   6  -5.833  -3.524  10.453
   41    H    CYS   7           H        CYS   7  -3.114   4.652   7.431
   42    HA   CYS   7           HA       CYS   7  -1.007   2.779   7.071
   43   1HB   CYS   7          1HB       CYS   7  -1.223   5.763   7.061
   44   2HB   CYS   7          2HB       CYS   7   0.374   5.028   7.131
   45    HA   PRO   8           HA       PRO   8   1.223   3.275   7.063
   46   1HB   PRO   8          1HB       PRO   8   3.563   2.362   7.928
   47   2HB   PRO   8          2HB       PRO   8   3.103   4.049   8.189
   48   1HG   PRO   8          1HG       PRO   8   3.136   1.775  10.111
   49   2HG   PRO   8          2HG       PRO   8   3.493   3.487  10.390
   50   1HD   PRO   8          1HD       PRO   8   1.055   2.161  10.918
   51   2HD   PRO   8          2HD       PRO   8   1.335   3.913  10.942
   52    H    ARG   9           H        ARG   9  -0.190   1.058   8.993
   53    HA   ARG   9           HA       ARG   9   0.619  -1.156   7.242
   54   1HB   ARG   9          1HB       ARG   9   0.241  -1.375  10.235
   55   2HB   ARG   9          2HB       ARG   9   0.589  -2.707   9.142
   56   1HG   ARG   9          1HG       ARG   9   2.780  -2.169   8.958
   57   2HG   ARG   9          2HG       ARG   9   2.482  -0.437   9.117
   58   1HD   ARG   9          1HD       ARG   9   2.501  -2.496  11.318
   59   2HD   ARG   9          2HD       ARG   9   3.671  -1.203  11.060
   60    HE   ARG   9           HE       ARG   9   1.269   0.074  11.340
   61   1HH1  ARG   9          1HH1      ARG   9   3.123  -2.157  13.280
   62   2HH1  ARG   9          2HH1      ARG   9   2.529  -1.538  14.784
   63   1HH2  ARG   9          1HH2      ARG   9   0.486   0.890  13.317
   64   2HH2  ARG   9          2HH2      ARG   9   1.032   0.191  14.806
   65    HA   PRO  10           HA       PRO  10  -4.000  -0.823   7.651
   66   1HB   PRO  10          1HB       PRO  10  -4.626  -0.101   5.161
   67   2HB   PRO  10          2HB       PRO  10  -4.051   1.088   6.335
   68   1HG   PRO  10          1HG       PRO  10  -2.564  -0.252   4.115
   69   2HG   PRO  10          2HG       PRO  10  -2.501   1.438   4.646
   70   1HD   PRO  10          1HD       PRO  10  -0.659  -0.507   5.342
   71   2HD   PRO  10          2HD       PRO  10  -0.947   0.987   6.254
   72    H    CYS  11           H        CYS  11  -2.178  -2.055   4.849
   73    HA   CYS  11           HA       CYS  11  -4.130  -4.123   4.347
   74   1HB   CYS  11          1HB       CYS  11  -1.743  -3.050   2.994
   75   2HB   CYS  11          2HB       CYS  11  -1.981  -4.783   2.794
   76    H    ASN  12           H        ASN  12  -3.002  -6.387   3.832
   77    HA   ASN  12           HA       ASN  12  -2.008  -7.300   6.396
   78   1HB   ASN  12          1HB       ASN  12  -3.365  -8.485   4.108
   79   2HB   ASN  12          2HB       ASN  12  -2.030  -9.486   4.672
   80   1HD2  ASN  12          1HD2      ASN  12  -2.466 -10.849   6.240
   81   2HD2  ASN  12          2HD2      ASN  12  -3.785 -10.738   7.349
   82    H    ALA  13           H        ALA  13  -0.406  -9.393   5.836
   83    HA   ALA  13           HA       ALA  13   2.055  -8.076   5.085
   84   1HB   ALA  13          1HB       ALA  13   2.848 -10.581   5.588
   85   2HB   ALA  13          2HB       ALA  13   1.312 -10.590   6.454
   86   3HB   ALA  13          3HB       ALA  13   2.546  -9.396   6.859
   87    H    GLY  14           H        GLY  14   3.189  -8.345   3.247
   88   1HA   GLY  14          1HA       GLY  14   3.919  -9.675   1.381
   89   2HA   GLY  14          2HA       GLY  14   2.357 -10.478   1.396
   90    H    LEU  15           H        LEU  15   0.998  -7.828   1.756
   91    HA   LEU  15           HA       LEU  15   1.214  -6.947  -1.047
   92   1HB   LEU  15          1HB       LEU  15  -1.170  -6.734   0.792
   93   2HB   LEU  15          2HB       LEU  15  -1.119  -6.276  -0.900
   94    HG   LEU  15           HG       LEU  15  -0.417  -8.845  -1.157
   95   1HD1  LEU  15          1HD1      LEU  15  -0.847  -8.835   1.495
   96   2HD1  LEU  15          2HD1      LEU  15  -1.102 -10.247   0.470
   97   3HD1  LEU  15          3HD1      LEU  15  -2.468  -9.229   0.924
   98   1HD2  LEU  15          1HD2      LEU  15  -2.189  -8.311  -2.457
   99   2HD2  LEU  15          2HD2      LEU  15  -2.997  -7.407  -1.176
  100   3HD2  LEU  15          3HD2      LEU  15  -3.076  -9.169  -1.197
  101    H    CYS  16           H        CYS  16   1.409  -4.802  -1.518
  102    HA   CYS  16           HA       CYS  16   1.833  -3.013   0.779
  103   1HB   CYS  16          1HB       CYS  16   2.871  -2.605  -2.027
  104   2HB   CYS  16          2HB       CYS  16   3.363  -1.758  -0.564
  105    H    CYS  17           H        CYS  17   1.373  -0.660   0.295
  106    HA   CYS  17           HA       CYS  17  -1.224  -0.496  -1.060
  107   1HB   CYS  17          1HB       CYS  17   0.015   0.951   1.234
  108   2HB   CYS  17          2HB       CYS  17  -1.163   1.813   0.249
  109    H    SER  18           H        SER  18  -1.398   0.535  -2.931
  110    HA   SER  18           HA       SER  18   0.880   1.963  -4.000
  111   1HB   SER  18          1HB       SER  18  -0.294   0.468  -5.498
  112   2HB   SER  18          2HB       SER  18  -1.823   1.288  -5.186
  113    HG   SER  18           HG       SER  18   0.437   2.567  -6.321
  114    H    ILE  19           H        ILE  19   0.966   4.108  -4.538
  115    HA   ILE  19           HA       ILE  19  -0.125   5.990  -2.900
  116    HB   ILE  19           HB       ILE  19   0.406   7.672  -4.671
  117   1HG1  ILE  19          1HG1      ILE  19   1.845   6.308  -6.543
  118   2HG1  ILE  19          2HG1      ILE  19   0.505   5.198  -6.275
  119   1HG2  ILE  19          1HG2      ILE  19   2.888   6.891  -4.824
  120   2HG2  ILE  19          2HG2      ILE  19   2.348   5.602  -3.748
  121   3HG2  ILE  19          3HG2      ILE  19   2.184   7.288  -3.257
  122   1HD1  ILE  19          1HD1      ILE  19  -0.522   6.420  -7.833
  123   2HD1  ILE  19          2HD1      ILE  19   0.564   7.792  -7.616
  124   3HD1  ILE  19          3HD1      ILE  19  -0.800   7.565  -6.521
  125    H    TYR  20           H        TYR  20  -1.600   4.556  -5.707
  126    HA   TYR  20           HA       TYR  20  -3.608   6.542  -6.080
  127   1HB   TYR  20          1HB       TYR  20  -2.970   3.895  -7.194
  128   2HB   TYR  20          2HB       TYR  20  -4.687   4.282  -7.173
  129    HD1  TYR  20           HD1      TYR  20  -1.762   4.505  -9.059
  130    HD2  TYR  20           HD2      TYR  20  -5.230   6.750  -8.044
  131    HE1  TYR  20           HE1      TYR  20  -1.473   5.858 -11.092
  132    HE2  TYR  20           HE2      TYR  20  -4.952   8.109 -10.074
  133    HH   TYR  20           HH       TYR  20  -2.903   8.744 -11.598
  134    H    GLY  21           H        GLY  21  -3.158   4.369  -3.593
  135   1HA   GLY  21          1HA       GLY  21  -4.561   4.150  -1.731
  136   2HA   GLY  21          2HA       GLY  21  -5.900   4.755  -2.696
  137    H    TYR  22           H        TYR  22  -3.699   2.102  -3.474
  138    HA   TYR  22           HA       TYR  22  -5.927   0.213  -3.130
  139   1HB   TYR  22          1HB       TYR  22  -4.260   0.671  -5.584
  140   2HB   TYR  22          2HB       TYR  22  -4.959  -0.914  -5.268
  141    HD1  TYR  22           HD1      TYR  22  -7.139  -1.370  -5.946
  142    HD2  TYR  22           HD2      TYR  22  -5.891   2.680  -5.583
  143    HE1  TYR  22           HE1      TYR  22  -9.264  -0.633  -6.938
  144    HE2  TYR  22           HE2      TYR  22  -8.013   3.429  -6.574
  145    HH   TYR  22           HH       TYR  22 -10.305   2.596  -6.865
  146    H    CYS  23           H        CYS  23  -4.953  -2.126  -3.614
  147    HA   CYS  23           HA       CYS  23  -2.334  -2.343  -2.305
  148   1HB   CYS  23          1HB       CYS  23  -4.605  -2.816  -0.912
  149   2HB   CYS  23          2HB       CYS  23  -4.327  -4.414  -1.596
  150    H    GLY  24           H        GLY  24  -1.122  -4.188  -2.845
  151   1HA   GLY  24          1HA       GLY  24  -2.082  -6.306  -4.447
  152   2HA   GLY  24          2HA       GLY  24  -1.355  -5.084  -5.480
  153    H    SER  25           H        SER  25   0.486  -6.037  -6.135
  154    HA   SER  25           HA       SER  25   2.572  -6.422  -4.173
  155   1HB   SER  25          1HB       SER  25   1.221  -8.634  -4.461
  156   2HB   SER  25          2HB       SER  25   2.067  -8.748  -6.004
  157    HG   SER  25           HG       SER  25   3.406  -8.344  -3.542
  158    H    GLY  26           H        GLY  26   4.458  -7.681  -5.673
  159   1HA   GLY  26          1HA       GLY  26   5.986  -7.366  -7.359
  160   2HA   GLY  26          2HA       GLY  26   4.654  -6.792  -8.352
  161    H    ALA  27           H        ALA  27   6.575  -5.427  -9.079
  162    HA   ALA  27           HA       ALA  27   7.435  -3.303  -7.375
  163   1HB   ALA  27          1HB       ALA  27   8.557  -4.357  -9.499
  164   2HB   ALA  27          2HB       ALA  27   8.808  -2.660  -9.093
  165   3HB   ALA  27          3HB       ALA  27   7.642  -3.105 -10.339
  166    H    ALA  28           H        ALA  28   4.558  -3.829  -9.041
  167    HA   ALA  28           HA       ALA  28   4.005  -1.119  -9.793
  168   1HB   ALA  28          1HB       ALA  28   2.964  -2.934 -11.004
  169   2HB   ALA  28          2HB       ALA  28   1.725  -1.947 -10.228
  170   3HB   ALA  28          3HB       ALA  28   2.179  -3.502  -9.530
  171    H    TYR  29           H        TYR  29   3.270  -3.178  -7.038
  172    HA   TYR  29           HA       TYR  29   1.947  -0.892  -5.733
  173   1HB   TYR  29          1HB       TYR  29   1.704  -3.860  -5.213
  174   2HB   TYR  29          2HB       TYR  29   0.985  -2.622  -4.188
  175    HD1  TYR  29           HD1      TYR  29   1.123  -3.479  -7.829
  176    HD2  TYR  29           HD2      TYR  29  -1.246  -2.182  -4.542
  177    HE1  TYR  29           HE1      TYR  29  -0.860  -3.437  -9.282
  178    HE2  TYR  29           HE2      TYR  29  -3.236  -2.138  -5.986
  179    HH   TYR  29           HH       TYR  29  -3.096  -2.230  -9.312
  180    H    CYS  30           H        CYS  30   4.573  -3.159  -5.530
  181    HA   CYS  30           HA       CYS  30   5.355  -2.019  -2.930
  182   1HB   CYS  30          1HB       CYS  30   6.189  -4.636  -4.197
  183   2HB   CYS  30          2HB       CYS  30   6.750  -4.035  -2.641
  184    H    GLY  31           H        GLY  31   5.800  -0.791  -5.556
  185   1HA   GLY  31          1HA       GLY  31   8.738  -0.975  -5.741
  186   2HA   GLY  31          2HA       GLY  31   7.683  -0.411  -7.028
  187    H    ALA  32           H        ALA  32   9.945   0.991  -6.101
  188    HA   ALA  32           HA       ALA  32   9.212   3.041  -4.266
  189   1HB   ALA  32          1HB       ALA  32  11.349   3.749  -4.455
  190   2HB   ALA  32          2HB       ALA  32  11.357   3.601  -6.213
  191   3HB   ALA  32          3HB       ALA  32  11.572   2.169  -5.206
  192    H    GLY  33           H        GLY  33   7.892   4.693  -4.622
  193   1HA   GLY  33          1HA       GLY  33   7.443   6.721  -5.874
  194   2HA   GLY  33          2HA       GLY  33   7.751   5.814  -7.348
  195    H    ASN  34           H        ASN  34   6.195   3.498  -6.323
  196    HA   ASN  34           HA       ASN  34   3.523   4.607  -6.854
  197   1HB   ASN  34          1HB       ASN  34   4.820   1.988  -7.518
  198   2HB   ASN  34          2HB       ASN  34   3.067   2.079  -7.379
  199   1HD2  ASN  34          1HD2      ASN  34   4.812   1.573  -9.694
  200   2HD2  ASN  34          2HD2      ASN  34   4.367   2.752 -10.875
  201    H    CYS  35           H        CYS  35   5.419   2.724  -4.631
  202    HA   CYS  35           HA       CYS  35   3.118   1.838  -3.108
  203   1HB   CYS  35          1HB       CYS  35   5.055   0.363  -3.287
  204   2HB   CYS  35          2HB       CYS  35   6.086   1.595  -2.570
  205    H    ARG  36           H        ARG  36   2.076   3.390  -2.003
  206    HA   ARG  36           HA       ARG  36   3.480   5.634  -0.865
  207   1HB   ARG  36          1HB       ARG  36   1.325   6.110  -1.719
  208   2HB   ARG  36          2HB       ARG  36   0.595   4.767  -0.853
  209   1HG   ARG  36          1HG       ARG  36   0.342   5.957   1.037
  210   2HG   ARG  36          2HG       ARG  36   1.883   6.794   0.842
  211   1HD   ARG  36          1HD       ARG  36   0.181   8.434   0.641
  212   2HD   ARG  36          2HD       ARG  36   0.800   8.141  -0.983
  213    HE   ARG  36           HE       ARG  36  -1.301   6.467  -0.851
  214   1HH1  ARG  36          1HH1      ARG  36  -0.957   9.861  -0.112
  215   2HH1  ARG  36          2HH1      ARG  36  -2.596  10.244  -0.521
  216   1HH2  ARG  36          1HH2      ARG  36  -3.455   6.970  -1.392
  217   2HH2  ARG  36          2HH2      ARG  36  -4.014   8.603  -1.247
  218    H    CYS  37           H        CYS  37   1.700   2.834   0.446
  219    HA   CYS  37           HA       CYS  37   3.198   3.203   2.952
  220   1HB   CYS  37          1HB       CYS  37   0.322   3.289   2.559
  221   2HB   CYS  37          2HB       CYS  37   0.778   2.030   3.702
  222    H    GLN  38           H        GLN  38   3.333   1.245   4.280
  223    HA   GLN  38           HA       GLN  38   3.878  -0.938   4.579
  224   1HB   GLN  38          1HB       GLN  38   1.402  -0.938   3.248
  225   2HB   GLN  38          2HB       GLN  38   2.374  -2.153   2.433
  226   1HG   GLN  38          1HG       GLN  38   1.992  -2.050   5.412
  227   2HG   GLN  38          2HG       GLN  38   0.978  -2.995   4.322
  228   1HE2  GLN  38          1HE2      GLN  38   2.529  -4.044   6.435
  229   2HE2  GLN  38          2HE2      GLN  38   3.728  -5.082   5.750
  230    H    CYS  39           H        CYS  39   5.661   0.487   3.118
  231    HA   CYS  39           HA       CYS  39   6.420  -1.240   0.867
  232   1HB   CYS  39          1HB       CYS  39   7.707   1.386   1.598
  233   2HB   CYS  39          2HB       CYS  39   7.760   0.541   0.055
  234    H    ARG  40           H        ARG  40   7.452  -0.100   4.004
  235    HA   ARG  40           HA       ARG  40   9.984  -1.551   3.766
  236   1HB   ARG  40          1HB       ARG  40   9.986   0.779   4.650
  237   2HB   ARG  40          2HB       ARG  40   9.015   0.230   6.008
  238   1HG   ARG  40          1HG       ARG  40  11.005   0.031   7.019
  239   2HG   ARG  40          2HG       ARG  40  11.071  -1.507   6.156
  240   1HD   ARG  40          1HD       ARG  40  12.390  -0.553   4.410
  241   2HD   ARG  40          2HD       ARG  40  12.154   1.075   5.046
  242    HE   ARG  40           HE       ARG  40  13.392  -0.568   6.986
  243   1HH1  ARG  40          1HH1      ARG  40  14.057   1.098   3.992
  244   2HH1  ARG  40          2HH1      ARG  40  15.742   1.302   4.335
  245   1HH2  ARG  40          1HH2      ARG  40  15.609  -0.299   7.438
  246   2HH2  ARG  40          2HH2      ARG  40  16.623   0.509   6.291
  247    H    GLY  41           H        GLY  41   6.925  -1.587   5.468
  248   1HA   GLY  41          1HA       GLY  41   6.731  -4.233   5.984
  249   2HA   GLY  41          2HA       GLY  41   7.748  -3.667   7.301
  Start of MODEL    3
    1    HN   PCA   1           HN       PCA   1  -8.232   1.175  -1.616
    2    HA   PCA   1           HA       PCA   1  -8.940   2.884  -3.284
    3   1HB   PCA   1          1HB       PCA   1 -11.203   2.890  -3.509
    4   2HB   PCA   1          2HB       PCA   1 -11.457   2.961  -1.762
    5   1HG   PCA   1          1HG       PCA   1 -11.294   0.623  -3.537
    6   2HG   PCA   1          2HG       PCA   1 -12.006   0.760  -1.920
    7    H    THR   2           H        THR   2  -9.135   2.421   0.162
    8    HA   THR   2           HA       THR   2  -8.132   5.102   0.601
    9    HB   THR   2           HB       THR   2  -9.981   5.222   2.524
   10    HG1  THR   2           HG1      THR   2 -11.919   4.384   1.824
   11   1HG2  THR   2          1HG2      THR   2  -9.803   6.324  -0.137
   12   2HG2  THR   2          2HG2      THR   2 -10.331   7.076   1.368
   13   3HG2  THR   2          3HG2      THR   2 -11.475   6.152   0.394
   14    H    CYS   3           H        CYS   3  -6.639   2.959   0.944
   15    HA   CYS   3           HA       CYS   3  -6.863   1.914   3.632
   16   1HB   CYS   3          1HB       CYS   3  -4.919   0.576   3.081
   17   2HB   CYS   3          2HB       CYS   3  -6.077   0.498   1.758
   18    H    ALA   4           H        ALA   4  -5.887   4.816   2.546
   19    HA   ALA   4           HA       ALA   4  -3.370   5.162   3.809
   20   1HB   ALA   4          1HB       ALA   4  -3.441   7.257   2.983
   21   2HB   ALA   4          2HB       ALA   4  -5.094   7.532   3.533
   22   3HB   ALA   4          3HB       ALA   4  -4.797   6.627   2.049
   23    H    SER   5           H        SER   5  -6.677   5.377   4.898
   24    HA   SER   5           HA       SER   5  -6.187   6.822   7.288
   25   1HB   SER   5          1HB       SER   5  -8.432   5.696   7.964
   26   2HB   SER   5          2HB       SER   5  -8.425   6.838   6.620
   27    HG   SER   5           HG       SER   5  -8.235   4.018   6.353
   28    H    ARG   6           H        ARG   6  -5.698   3.528   6.395
   29    HA   ARG   6           HA       ARG   6  -5.338   2.778   9.216
   30   1HB   ARG   6          1HB       ARG   6  -6.533   1.431   6.996
   31   2HB   ARG   6          2HB       ARG   6  -5.137   0.503   7.524
   32   1HG   ARG   6          1HG       ARG   6  -6.664   1.361   9.797
   33   2HG   ARG   6          2HG       ARG   6  -7.703   0.528   8.639
   34   1HD   ARG   6          1HD       ARG   6  -6.424  -1.434   8.734
   35   2HD   ARG   6          2HD       ARG   6  -5.054  -0.608   9.474
   36    HE   ARG   6           HE       ARG   6  -6.029  -0.894  11.527
   37   1HH1  ARG   6          1HH1      ARG   6  -8.403  -1.519   9.046
   38   2HH1  ARG   6          2HH1      ARG   6  -9.585  -2.127  10.155
   39   1HH2  ARG   6          1HH2      ARG   6  -7.583  -1.694  12.987
   40   2HH2  ARG   6          2HH2      ARG   6  -9.120  -2.226  12.393
   41    H    CYS   7           H        CYS   7  -3.426   4.323   7.632
   42    HA   CYS   7           HA       CYS   7  -1.256   2.543   6.977
   43   1HB   CYS   7          1HB       CYS   7  -1.731   5.482   6.895
   44   2HB   CYS   7          2HB       CYS   7  -0.060   4.933   6.971
   45    HA   PRO   8           HA       PRO   8   0.980   3.310   6.815
   46   1HB   PRO   8          1HB       PRO   8   3.378   2.248   7.840
   47   2HB   PRO   8          2HB       PRO   8   3.053   3.936   7.451
   48   1HG   PRO   8          1HG       PRO   8   3.506   2.876  10.011
   49   2HG   PRO   8          2HG       PRO   8   2.879   4.489   9.637
   50   1HD   PRO   8          1HD       PRO   8   1.414   2.026  10.452
   51   2HD   PRO   8          2HD       PRO   8   1.049   3.730  10.801
   52    H    ARG   9           H        ARG   9  -0.110   0.935   8.825
   53    HA   ARG   9           HA       ARG   9   0.699  -1.167   6.930
   54   1HB   ARG   9          1HB       ARG   9   1.133  -1.045   9.786
   55   2HB   ARG   9          2HB       ARG   9   0.148  -2.441   9.371
   56   1HG   ARG   9          1HG       ARG   9   1.973  -3.529   8.768
   57   2HG   ARG   9          2HG       ARG   9   2.252  -2.337   7.497
   58   1HD   ARG   9          1HD       ARG   9   3.508  -0.948   9.044
   59   2HD   ARG   9          2HD       ARG   9   3.175  -2.076  10.358
   60    HE   ARG   9           HE       ARG   9   4.477  -3.345   8.160
   61   1HH1  ARG   9          1HH1      ARG   9   5.027  -1.345  10.966
   62   2HH1  ARG   9          2HH1      ARG   9   6.671  -1.853  11.160
   63   1HH2  ARG   9          1HH2      ARG   9   6.638  -4.015   8.414
   64   2HH2  ARG   9          2HH2      ARG   9   7.587  -3.368   9.711
   65    HA   PRO  10           HA       PRO  10  -3.924  -1.001   7.314
   66   1HB   PRO  10          1HB       PRO  10  -4.530  -0.436   4.769
   67   2HB   PRO  10          2HB       PRO  10  -4.043   0.832   5.901
   68   1HG   PRO  10          1HG       PRO  10  -2.434  -0.539   3.785
   69   2HG   PRO  10          2HG       PRO  10  -2.468   1.176   4.230
   70   1HD   PRO  10          1HD       PRO  10  -0.543  -0.613   5.062
   71   2HD   PRO  10          2HD       PRO  10  -0.958   0.884   5.920
   72    H    CYS  11           H        CYS  11  -2.034  -2.313   4.596
   73    HA   CYS  11           HA       CYS  11  -3.910  -4.492   4.238
   74   1HB   CYS  11          1HB       CYS  11  -1.390  -3.645   2.828
   75   2HB   CYS  11          2HB       CYS  11  -2.141  -5.203   2.500
   76    H    ASN  12           H        ASN  12  -3.133  -6.749   4.160
   77    HA   ASN  12           HA       ASN  12  -1.929  -7.490   6.596
   78   1HB   ASN  12          1HB       ASN  12  -3.469  -8.784   4.785
   79   2HB   ASN  12          2HB       ASN  12  -1.895  -9.473   4.400
   80   1HD2  ASN  12          1HD2      ASN  12  -4.233  -8.969   6.968
   81   2HD2  ASN  12          2HD2      ASN  12  -3.725 -10.300   7.945
   82    H    ALA  13           H        ALA  13  -0.143  -9.439   6.226
   83    HA   ALA  13           HA       ALA  13   2.242  -7.979   5.533
   84   1HB   ALA  13          1HB       ALA  13   1.928 -10.829   6.470
   85   2HB   ALA  13          2HB       ALA  13   2.175  -9.426   7.509
   86   3HB   ALA  13          3HB       ALA  13   3.438  -9.921   6.383
   87    H    GLY  14           H        GLY  14   3.486  -8.193   3.758
   88   1HA   GLY  14          1HA       GLY  14   4.394  -9.512   1.957
   89   2HA   GLY  14          2HA       GLY  14   2.873 -10.390   1.892
   90    H    LEU  15           H        LEU  15   1.368  -7.811   2.145
   91    HA   LEU  15           HA       LEU  15   1.613  -7.021  -0.674
   92   1HB   LEU  15          1HB       LEU  15  -0.707  -6.814   1.244
   93   2HB   LEU  15          2HB       LEU  15  -0.715  -6.158  -0.382
   94    HG   LEU  15           HG       LEU  15   0.010  -8.807  -0.762
   95   1HD1  LEU  15          1HD1      LEU  15  -1.398 -10.184   0.499
   96   2HD1  LEU  15          2HD1      LEU  15  -2.325  -8.819   1.121
   97   3HD1  LEU  15          3HD1      LEU  15  -0.675  -9.092   1.679
   98   1HD2  LEU  15          1HD2      LEU  15  -2.864  -8.100  -0.885
   99   2HD2  LEU  15          2HD2      LEU  15  -1.827  -8.855  -2.095
  100   3HD2  LEU  15          3HD2      LEU  15  -1.745  -7.114  -1.827
  101    H    CYS  16           H        CYS  16   0.881  -4.706  -1.101
  102    HA   CYS  16           HA       CYS  16   1.581  -2.845   1.030
  103   1HB   CYS  16          1HB       CYS  16   2.964  -2.700  -1.651
  104   2HB   CYS  16          2HB       CYS  16   3.271  -1.703  -0.233
  105    H    CYS  17           H        CYS  17   0.831  -0.720   0.689
  106    HA   CYS  17           HA       CYS  17  -1.432  -0.584  -1.122
  107   1HB   CYS  17          1HB       CYS  17  -0.501   0.948   1.249
  108   2HB   CYS  17          2HB       CYS  17  -1.489   1.811   0.075
  109    H    SER  18           H        SER  18  -1.418   0.392  -3.034
  110    HA   SER  18           HA       SER  18   0.976   1.746  -3.929
  111   1HB   SER  18          1HB       SER  18  -0.963   0.178  -5.174
  112   2HB   SER  18          2HB       SER  18  -1.249   1.800  -5.803
  113    HG   SER  18           HG       SER  18   1.131   1.802  -6.160
  114    H    ILE  19           H        ILE  19   1.160   3.868  -4.532
  115    HA   ILE  19           HA       ILE  19  -0.088   5.841  -3.128
  116    HB   ILE  19           HB       ILE  19   0.640   7.420  -4.941
  117   1HG1  ILE  19          1HG1      ILE  19   2.017   5.102  -6.241
  118   2HG1  ILE  19          2HG1      ILE  19   0.350   5.457  -6.680
  119   1HG2  ILE  19          1HG2      ILE  19   3.141   6.440  -4.736
  120   2HG2  ILE  19          2HG2      ILE  19   2.342   5.537  -3.449
  121   3HG2  ILE  19          3HG2      ILE  19   2.314   7.300  -3.437
  122   1HD1  ILE  19          1HD1      ILE  19   2.819   6.869  -7.354
  123   2HD1  ILE  19          2HD1      ILE  19   1.478   7.912  -6.880
  124   3HD1  ILE  19          3HD1      ILE  19   1.284   6.779  -8.217
  125    H    TYR  20           H        TYR  20  -1.179   4.354  -6.104
  126    HA   TYR  20           HA       TYR  20  -3.094   6.260  -6.863
  127   1HB   TYR  20          1HB       TYR  20  -2.882   3.292  -7.347
  128   2HB   TYR  20          2HB       TYR  20  -4.194   4.258  -8.014
  129    HD1  TYR  20           HD1      TYR  20  -3.866   5.602  -9.938
  130    HD2  TYR  20           HD2      TYR  20  -0.523   3.799  -8.023
  131    HE1  TYR  20           HE1      TYR  20  -2.447   6.217 -11.850
  132    HE2  TYR  20           HE2      TYR  20   0.906   4.409  -9.928
  133    HH   TYR  20           HH       TYR  20  -0.241   5.301 -12.875
  134    H    GLY  21           H        GLY  21  -3.055   4.060  -4.240
  135   1HA   GLY  21          1HA       GLY  21  -4.612   4.284  -2.444
  136   2HA   GLY  21          2HA       GLY  21  -5.823   4.811  -3.604
  137    H    TYR  22           H        TYR  22  -3.689   2.003  -3.820
  138    HA   TYR  22           HA       TYR  22  -5.988   0.234  -3.389
  139   1HB   TYR  22          1HB       TYR  22  -4.243   0.312  -5.845
  140   2HB   TYR  22          2HB       TYR  22  -5.140  -1.133  -5.389
  141    HD1  TYR  22           HD1      TYR  22  -5.428   2.341  -6.558
  142    HD2  TYR  22           HD2      TYR  22  -7.531  -1.244  -5.648
  143    HE1  TYR  22           HE1      TYR  22  -7.418   3.225  -7.701
  144    HE2  TYR  22           HE2      TYR  22  -9.526  -0.370  -6.789
  145    HH   TYR  22           HH       TYR  22 -10.128   1.268  -8.451
  146    H    CYS  23           H        CYS  23  -4.995  -2.180  -3.736
  147    HA   CYS  23           HA       CYS  23  -2.451  -2.295  -2.268
  148   1HB   CYS  23          1HB       CYS  23  -4.561  -2.635  -0.822
  149   2HB   CYS  23          2HB       CYS  23  -4.715  -4.180  -1.652
  150    H    GLY  24           H        GLY  24  -1.287  -4.300  -2.502
  151   1HA   GLY  24          1HA       GLY  24  -2.049  -6.465  -4.071
  152   2HA   GLY  24          2HA       GLY  24  -1.333  -5.288  -5.161
  153    H    SER  25           H        SER  25   0.617  -6.050  -5.671
  154    HA   SER  25           HA       SER  25   2.603  -6.301  -3.596
  155   1HB   SER  25          1HB       SER  25   1.373  -8.664  -4.813
  156   2HB   SER  25          2HB       SER  25   3.130  -8.648  -4.954
  157    HG   SER  25           HG       SER  25   2.078  -9.561  -2.956
  158    H    GLY  26           H        GLY  26   4.675  -7.405  -4.917
  159   1HA   GLY  26          1HA       GLY  26   6.270  -7.027  -6.527
  160   2HA   GLY  26          2HA       GLY  26   4.958  -6.620  -7.622
  161    H    ALA  27           H        ALA  27   6.436  -5.007  -8.469
  162    HA   ALA  27           HA       ALA  27   7.145  -2.778  -6.771
  163   1HB   ALA  27          1HB       ALA  27   7.879  -1.831  -9.082
  164   2HB   ALA  27          2HB       ALA  27   7.624  -3.487  -9.634
  165   3HB   ALA  27          3HB       ALA  27   8.786  -3.155  -8.350
  166    H    ALA  28           H        ALA  28   4.661  -3.582  -9.082
  167    HA   ALA  28           HA       ALA  28   3.734  -1.005  -9.686
  168   1HB   ALA  28          1HB       ALA  28   2.093  -2.048 -10.829
  169   2HB   ALA  28          2HB       ALA  28   1.709  -3.137  -9.496
  170   3HB   ALA  28          3HB       ALA  28   3.090  -3.474 -10.539
  171    H    TYR  29           H        TYR  29   3.066  -3.151  -6.983
  172    HA   TYR  29           HA       TYR  29   1.296  -1.104  -5.828
  173   1HB   TYR  29          1HB       TYR  29   1.514  -4.074  -5.360
  174   2HB   TYR  29          2HB       TYR  29   0.646  -3.015  -4.253
  175    HD1  TYR  29           HD1      TYR  29  -1.360  -1.769  -5.069
  176    HD2  TYR  29           HD2      TYR  29   0.550  -4.757  -7.419
  177    HE1  TYR  29           HE1      TYR  29  -3.368  -1.936  -6.478
  178    HE2  TYR  29           HE2      TYR  29  -1.453  -4.932  -8.835
  179    HH   TYR  29           HH       TYR  29  -3.695  -2.785  -9.123
  180    H    CYS  30           H        CYS  30   4.227  -2.930  -5.342
  181    HA   CYS  30           HA       CYS  30   4.686  -1.444  -2.838
  182   1HB   CYS  30          1HB       CYS  30   4.451  -4.073  -2.850
  183   2HB   CYS  30          2HB       CYS  30   6.122  -4.005  -3.399
  184    H    GLY  31           H        GLY  31   5.310  -0.380  -5.365
  185   1HA   GLY  31          1HA       GLY  31   8.118  -0.828  -5.889
  186   2HA   GLY  31          2HA       GLY  31   7.079   0.341  -6.690
  187    H    ALA  32           H        ALA  32   9.548   1.175  -6.121
  188    HA   ALA  32           HA       ALA  32   9.790   2.365  -3.535
  189   1HB   ALA  32          1HB       ALA  32  11.794   3.384  -4.368
  190   2HB   ALA  32          2HB       ALA  32  11.315   3.071  -6.036
  191   3HB   ALA  32          3HB       ALA  32  11.723   1.727  -4.969
  192    H    GLY  33           H        GLY  33   8.688   3.453  -6.690
  193   1HA   GLY  33          1HA       GLY  33   7.949   6.039  -5.462
  194   2HA   GLY  33          2HA       GLY  33   8.385   5.856  -7.155
  195    H    ASN  34           H        ASN  34   6.391   3.515  -5.514
  196    HA   ASN  34           HA       ASN  34   3.937   4.667  -6.568
  197   1HB   ASN  34          1HB       ASN  34   5.286   2.288  -7.705
  198   2HB   ASN  34          2HB       ASN  34   3.552   2.137  -7.442
  199   1HD2  ASN  34          1HD2      ASN  34   4.036   1.908  -9.904
  200   2HD2  ASN  34          2HD2      ASN  34   3.796   3.354 -10.819
  201    H    CYS  35           H        CYS  35   5.086   4.032  -3.921
  202    HA   CYS  35           HA       CYS  35   2.974   2.199  -2.993
  203   1HB   CYS  35          1HB       CYS  35   4.460   1.399  -1.245
  204   2HB   CYS  35          2HB       CYS  35   5.216   1.166  -2.818
  205    H    ARG  36           H        ARG  36   1.559   3.108  -1.672
  206    HA   ARG  36           HA       ARG  36   2.005   5.757  -0.629
  207   1HB   ARG  36          1HB       ARG  36  -0.208   4.817  -1.521
  208   2HB   ARG  36          2HB       ARG  36  -0.332   3.966   0.011
  209   1HG   ARG  36          1HG       ARG  36  -1.519   5.830   0.522
  210   2HG   ARG  36          2HG       ARG  36   0.092   6.384   0.984
  211   1HD   ARG  36          1HD       ARG  36  -0.495   8.149  -0.309
  212   2HD   ARG  36          2HD       ARG  36   0.128   7.103  -1.584
  213    HE   ARG  36           HE       ARG  36  -2.484   6.428  -1.469
  214   1HH1  ARG  36          1HH1      ARG  36  -0.836   9.491  -1.746
  215   2HH1  ARG  36          2HH1      ARG  36  -2.111  10.238  -2.648
  216   1HH2  ARG  36          1HH2      ARG  36  -4.162   7.407  -2.656
  217   2HH2  ARG  36          2HH2      ARG  36  -4.000   9.055  -3.164
  218    H    CYS  37           H        CYS  37   1.663   2.490   0.670
  219    HA   CYS  37           HA       CYS  37   3.114   3.287   3.052
  220   1HB   CYS  37          1HB       CYS  37   0.232   2.482   3.071
  221   2HB   CYS  37          2HB       CYS  37   1.263   2.009   4.417
  222    H    GLN  38           H        GLN  38   3.724   1.415   4.390
  223    HA   GLN  38           HA       GLN  38   4.637  -0.651   4.639
  224   1HB   GLN  38          1HB       GLN  38   2.111  -1.115   3.229
  225   2HB   GLN  38          2HB       GLN  38   3.299  -2.381   2.957
  226   1HG   GLN  38          1HG       GLN  38   3.400  -1.906   5.691
  227   2HG   GLN  38          2HG       GLN  38   1.686  -1.832   5.283
  228   1HE2  GLN  38          1HE2      GLN  38   1.112  -3.730   6.245
  229   2HE2  GLN  38          2HE2      GLN  38   1.634  -5.280   5.685
  230    H    CYS  39           H        CYS  39   5.981   0.997   2.960
  231    HA   CYS  39           HA       CYS  39   6.554  -0.298   0.454
  232   1HB   CYS  39          1HB       CYS  39   8.047   1.936   1.843
  233   2HB   CYS  39          2HB       CYS  39   8.229   1.453   0.160
  234    H    ARG  40           H        ARG  40   7.898  -0.255   3.673
  235    HA   ARG  40           HA       ARG  40  10.370  -1.518   2.938
  236   1HB   ARG  40          1HB       ARG  40   9.661  -0.061   5.071
  237   2HB   ARG  40          2HB       ARG  40   9.373  -1.664   5.734
  238   1HG   ARG  40          1HG       ARG  40  11.968  -0.731   4.523
  239   2HG   ARG  40          2HG       ARG  40  11.615  -0.811   6.251
  240   1HD   ARG  40          1HD       ARG  40  12.585  -2.842   6.066
  241   2HD   ARG  40          2HD       ARG  40  10.972  -3.319   5.539
  242    HE   ARG  40           HE       ARG  40  11.881  -3.815   3.517
  243   1HH1  ARG  40          1HH1      ARG  40  13.889  -1.396   5.031
  244   2HH1  ARG  40          2HH1      ARG  40  15.049  -1.375   3.746
  245   1HH2  ARG  40          1HH2      ARG  40  13.406  -3.789   1.826
  246   2HH2  ARG  40          2HH2      ARG  40  14.775  -2.734   1.927
  247    H    GLY  41           H        GLY  41   7.205  -2.557   3.995
  248   1HA   GLY  41          1HA       GLY  41   6.267  -4.670   3.759
  249   2HA   GLY  41          2HA       GLY  41   7.836  -5.281   3.257
  Start of MODEL    4
    1    HN   PCA   1           HN       PCA   1  -7.608   0.845  -1.984
    2    HA   PCA   1           HA       PCA   1  -9.060   2.469  -3.185
    3   1HB   PCA   1          1HB       PCA   1 -11.250   1.913  -2.939
    4   2HB   PCA   1          2HB       PCA   1 -11.097   1.762  -1.186
    5   1HG   PCA   1          1HG       PCA   1 -10.838  -0.291  -3.271
    6   2HG   PCA   1          2HG       PCA   1 -11.148  -0.483  -1.536
    7    H    THR   2           H        THR   2  -8.463   1.625   0.163
    8    HA   THR   2           HA       THR   2  -7.924   4.403   0.778
    9    HB   THR   2           HB       THR   2 -10.238   4.374   1.335
   10    HG1  THR   2           HG1      THR   2 -10.115   4.880   3.468
   11   1HG2  THR   2          1HG2      THR   2 -10.404   1.862   1.458
   12   2HG2  THR   2          2HG2      THR   2 -11.340   2.777   2.641
   13   3HG2  THR   2          3HG2      THR   2  -9.827   2.005   3.118
   14    H    CYS   3           H        CYS   3  -6.150   2.311   0.534
   15    HA   CYS   3           HA       CYS   3  -5.583   0.980   2.961
   16   1HB   CYS   3          1HB       CYS   3  -3.275   0.693   1.928
   17   2HB   CYS   3          2HB       CYS   3  -4.629   0.064   0.996
   18    H    ALA   4           H        ALA   4  -4.903   4.183   1.830
   19    HA   ALA   4           HA       ALA   4  -2.729   4.753   3.563
   20   1HB   ALA   4          1HB       ALA   4  -2.746   6.304   1.917
   21   2HB   ALA   4          2HB       ALA   4  -3.720   7.194   3.088
   22   3HB   ALA   4          3HB       ALA   4  -4.505   6.302   1.784
   23    H    SER   5           H        SER   5  -6.215   5.010   3.865
   24    HA   SER   5           HA       SER   5  -6.289   6.580   6.200
   25   1HB   SER   5          1HB       SER   5  -8.314   4.523   5.292
   26   2HB   SER   5          2HB       SER   5  -8.602   5.857   6.409
   27    HG   SER   5           HG       SER   5  -8.036   7.272   4.642
   28    H    ARG   6           H        ARG   6  -5.341   3.330   5.749
   29    HA   ARG   6           HA       ARG   6  -5.544   2.878   8.654
   30   1HB   ARG   6          1HB       ARG   6  -6.107   1.044   6.364
   31   2HB   ARG   6          2HB       ARG   6  -5.473   0.368   7.858
   32   1HG   ARG   6          1HG       ARG   6  -7.832   2.186   7.962
   33   2HG   ARG   6          2HG       ARG   6  -8.042   0.508   7.456
   34   1HD   ARG   6          1HD       ARG   6  -6.805   1.441  10.045
   35   2HD   ARG   6          2HD       ARG   6  -8.423   0.767   9.855
   36    HE   ARG   6           HE       ARG   6  -6.492  -1.032   8.845
   37   1HH1  ARG   6          1HH1      ARG   6  -7.741   0.220  11.854
   38   2HH1  ARG   6          2HH1      ARG   6  -7.341  -1.203  12.756
   39   1HH2  ARG   6          1HH2      ARG   6  -5.966  -2.905  10.030
   40   2HH2  ARG   6          2HH2      ARG   6  -6.333  -2.977  11.721
   41    H    CYS   7           H        CYS   7  -3.344   4.134   7.387
   42    HA   CYS   7           HA       CYS   7  -1.247   2.235   6.945
   43   1HB   CYS   7          1HB       CYS   7  -1.431   5.208   7.151
   44   2HB   CYS   7          2HB       CYS   7   0.149   4.458   7.349
   45    HA   PRO   8           HA       PRO   8   0.970   2.611   7.143
   46   1HB   PRO   8          1HB       PRO   8   3.161   1.421   8.078
   47   2HB   PRO   8          2HB       PRO   8   2.823   3.117   8.448
   48   1HG   PRO   8          1HG       PRO   8   2.519   0.704  10.169
   49   2HG   PRO   8          2HG       PRO   8   3.006   2.348  10.613
   50   1HD   PRO   8          1HD       PRO   8   0.436   1.233  10.891
   51   2HD   PRO   8          2HD       PRO   8   0.861   2.949  11.036
   52    H    ARG   9           H        ARG   9  -0.714   0.337   8.796
   53    HA   ARG   9           HA       ARG   9   0.022  -1.762   6.877
   54   1HB   ARG   9          1HB       ARG   9  -0.453  -3.432   8.735
   55   2HB   ARG   9          2HB       ARG   9   1.052  -2.531   8.857
   56   1HG   ARG   9          1HG       ARG   9   0.483  -1.722  10.838
   57   2HG   ARG   9          2HG       ARG   9  -1.057  -1.129  10.214
   58   1HD   ARG   9          1HD       ARG   9  -1.736  -3.657  10.373
   59   2HD   ARG   9          2HD       ARG   9  -0.410  -3.726  11.534
   60    HE   ARG   9           HE       ARG   9  -2.248  -1.581  12.035
   61   1HH1  ARG   9          1HH1      ARG   9  -1.623  -4.974  12.556
   62   2HH1  ARG   9          2HH1      ARG   9  -2.591  -5.060  13.989
   63   1HH2  ARG   9          1HH2      ARG   9  -3.520  -1.691  13.920
   64   2HH2  ARG   9          2HH2      ARG   9  -3.669  -3.196  14.764
   65    HA   PRO  10           HA       PRO  10  -4.547  -1.069   6.887
   66   1HB   PRO  10          1HB       PRO  10  -4.862  -0.707   4.248
   67   2HB   PRO  10          2HB       PRO  10  -4.316   0.600   5.305
   68   1HG   PRO  10          1HG       PRO  10  -2.721  -1.158   3.486
   69   2HG   PRO  10          2HG       PRO  10  -2.571   0.585   3.775
   70   1HD   PRO  10          1HD       PRO  10  -0.965  -1.320   4.939
   71   2HD   PRO  10          2HD       PRO  10  -1.272   0.284   5.630
   72    H    CYS  11           H        CYS  11  -2.484  -3.077   4.855
   73    HA   CYS  11           HA       CYS  11  -4.660  -5.057   4.683
   74   1HB   CYS  11          1HB       CYS  11  -2.342  -4.553   2.811
   75   2HB   CYS  11          2HB       CYS  11  -3.409  -5.948   2.693
   76    H    ASN  12           H        ASN  12  -3.667  -7.352   4.297
   77    HA   ASN  12           HA       ASN  12  -2.348  -8.090   6.671
   78   1HB   ASN  12          1HB       ASN  12  -3.792  -9.433   4.808
   79   2HB   ASN  12          2HB       ASN  12  -2.165  -9.965   4.393
   80   1HD2  ASN  12          1HD2      ASN  12  -2.328 -12.031   5.088
   81   2HD2  ASN  12          2HD2      ASN  12  -2.553 -12.479   6.741
   82    H    ALA  13           H        ALA  13  -0.418  -9.894   6.092
   83    HA   ALA  13           HA       ALA  13   1.829  -8.187   5.515
   84   1HB   ALA  13          1HB       ALA  13   1.439 -10.906   6.618
   85   2HB   ALA  13          2HB       ALA  13   2.449  -9.580   7.195
   86   3HB   ALA  13          3HB       ALA  13   2.984 -10.571   5.838
   87    H    GLY  14           H        GLY  14   3.031  -8.108   3.706
   88   1HA   GLY  14          1HA       GLY  14   4.008  -9.187   1.774
   89   2HA   GLY  14          2HA       GLY  14   2.541 -10.144   1.629
   90    H    LEU  15           H        LEU  15   0.887  -7.706   2.174
   91    HA   LEU  15           HA       LEU  15   0.812  -6.776  -0.580
   92   1HB   LEU  15          1HB       LEU  15  -1.044  -6.601   1.763
   93   2HB   LEU  15          2HB       LEU  15  -1.255  -5.515   0.403
   94    HG   LEU  15           HG       LEU  15  -1.021  -8.059  -0.741
   95   1HD1  LEU  15          1HD1      LEU  15  -1.397  -9.273   1.212
   96   2HD1  LEU  15          2HD1      LEU  15  -2.992  -9.166   0.468
   97   3HD1  LEU  15          3HD1      LEU  15  -2.577  -8.112   1.820
   98   1HD2  LEU  15          1HD2      LEU  15  -3.726  -6.990  -0.235
   99   2HD2  LEU  15          2HD2      LEU  15  -2.958  -7.474  -1.747
  100   3HD2  LEU  15          3HD2      LEU  15  -2.590  -5.904  -1.035
  101    H    CYS  16           H        CYS  16   0.395  -4.421  -0.978
  102    HA   CYS  16           HA       CYS  16   1.660  -2.645   0.968
  103   1HB   CYS  16          1HB       CYS  16   2.609  -3.043  -1.870
  104   2HB   CYS  16          2HB       CYS  16   3.022  -1.626  -0.912
  105    H    CYS  17           H        CYS  17   1.120  -0.453   0.733
  106    HA   CYS  17           HA       CYS  17  -1.373  -0.012  -0.707
  107   1HB   CYS  17          1HB       CYS  17  -1.307   0.705   1.608
  108   2HB   CYS  17          2HB       CYS  17   0.127   1.677   1.305
  109    H    SER  18           H        SER  18  -1.171   0.568  -2.777
  110    HA   SER  18           HA       SER  18   1.141   1.912  -3.789
  111   1HB   SER  18          1HB       SER  18   0.124   1.731  -5.930
  112   2HB   SER  18          2HB       SER  18  -0.340   0.268  -5.061
  113    HG   SER  18           HG       SER  18  -2.360   1.113  -4.729
  114    H    ILE  19           H        ILE  19   1.416   4.004  -4.382
  115    HA   ILE  19           HA       ILE  19   0.275   6.052  -3.000
  116    HB   ILE  19           HB       ILE  19   1.102   7.585  -4.760
  117   1HG1  ILE  19          1HG1      ILE  19   2.556   5.958  -6.457
  118   2HG1  ILE  19          2HG1      ILE  19   1.023   5.104  -6.314
  119   1HG2  ILE  19          1HG2      ILE  19   2.519   6.135  -3.000
  120   2HG2  ILE  19          2HG2      ILE  19   3.237   7.340  -4.068
  121   3HG2  ILE  19          3HG2      ILE  19   3.297   5.632  -4.500
  122   1HD1  ILE  19          1HD1      ILE  19   0.361   7.792  -6.697
  123   2HD1  ILE  19          2HD1      ILE  19   0.202   6.465  -7.847
  124   3HD1  ILE  19          3HD1      ILE  19   1.669   7.445  -7.828
  125    H    TYR  20           H        TYR  20  -0.880   4.626  -5.990
  126    HA   TYR  20           HA       TYR  20  -2.726   6.592  -6.735
  127   1HB   TYR  20          1HB       TYR  20  -2.324   3.719  -7.326
  128   2HB   TYR  20          2HB       TYR  20  -3.944   4.345  -7.615
  129    HD1  TYR  20           HD1      TYR  20  -0.942   3.692  -9.161
  130    HD2  TYR  20           HD2      TYR  20  -3.843   6.788  -8.839
  131    HE1  TYR  20           HE1      TYR  20  -0.195   4.608 -11.317
  132    HE2  TYR  20           HE2      TYR  20  -3.105   7.712 -10.995
  133    HH   TYR  20           HH       TYR  20  -0.996   7.666 -12.393
  134    H    GLY  21           H        GLY  21  -2.768   4.390  -4.106
  135   1HA   GLY  21          1HA       GLY  21  -4.287   4.697  -2.289
  136   2HA   GLY  21          2HA       GLY  21  -5.485   5.284  -3.435
  137    H    TYR  22           H        TYR  22  -3.491   2.372  -3.646
  138    HA   TYR  22           HA       TYR  22  -5.892   0.731  -3.242
  139   1HB   TYR  22          1HB       TYR  22  -4.198   0.884  -5.687
  140   2HB   TYR  22          2HB       TYR  22  -4.788  -0.702  -5.200
  141    HD1  TYR  22           HD1      TYR  22  -6.029   2.773  -5.784
  142    HD2  TYR  22           HD2      TYR  22  -6.862  -1.396  -5.957
  143    HE1  TYR  22           HE1      TYR  22  -8.188   3.254  -6.859
  144    HE2  TYR  22           HE2      TYR  22  -9.022  -0.926  -7.033
  145    HH   TYR  22           HH       TYR  22  -9.815   1.571  -8.557
  146    H    CYS  23           H        CYS  23  -5.203  -1.688  -3.249
  147    HA   CYS  23           HA       CYS  23  -2.651  -1.952  -1.803
  148   1HB   CYS  23          1HB       CYS  23  -5.122  -2.205  -0.641
  149   2HB   CYS  23          2HB       CYS  23  -4.750  -3.873  -1.061
  150    H    GLY  24           H        GLY  24  -1.315  -3.473  -2.555
  151   1HA   GLY  24          1HA       GLY  24  -2.285  -5.878  -3.807
  152   2HA   GLY  24          2HA       GLY  24  -1.553  -4.755  -4.943
  153    H    SER  25           H        SER  25   0.207  -6.011  -5.456
  154    HA   SER  25           HA       SER  25   2.265  -6.148  -3.387
  155   1HB   SER  25          1HB       SER  25   0.917  -8.387  -3.746
  156   2HB   SER  25          2HB       SER  25   1.948  -8.532  -5.170
  157    HG   SER  25           HG       SER  25   2.634  -9.364  -2.920
  158    H    GLY  26           H        GLY  26   4.288  -7.329  -4.691
  159   1HA   GLY  26          1HA       GLY  26   5.946  -6.930  -6.226
  160   2HA   GLY  26          2HA       GLY  26   4.652  -6.718  -7.396
  161    H    ALA  27           H        ALA  27   6.132  -5.129  -8.334
  162    HA   ALA  27           HA       ALA  27   6.698  -2.715  -6.892
  163   1HB   ALA  27          1HB       ALA  27   7.852  -3.884  -9.019
  164   2HB   ALA  27          2HB       ALA  27   8.031  -2.172  -8.632
  165   3HB   ALA  27          3HB       ALA  27   6.850  -2.686  -9.838
  166    H    ALA  28           H        ALA  28   4.133  -3.855  -8.931
  167    HA   ALA  28           HA       ALA  28   3.070  -1.429  -9.827
  168   1HB   ALA  28          1HB       ALA  28   2.053  -4.184  -9.481
  169   2HB   ALA  28          2HB       ALA  28   2.049  -3.140 -10.903
  170   3HB   ALA  28          3HB       ALA  28   0.849  -2.904  -9.632
  171    H    TYR  29           H        TYR  29   2.782  -3.065  -6.741
  172    HA   TYR  29           HA       TYR  29   1.236  -0.765  -5.746
  173   1HB   TYR  29          1HB       TYR  29   0.896  -3.653  -4.918
  174   2HB   TYR  29          2HB       TYR  29   0.047  -2.280  -4.215
  175    HD1  TYR  29           HD1      TYR  29  -1.765  -1.200  -5.399
  176    HD2  TYR  29           HD2      TYR  29   0.343  -4.450  -7.158
  177    HE1  TYR  29           HE1      TYR  29  -3.533  -1.422  -7.094
  178    HE2  TYR  29           HE2      TYR  29  -1.418  -4.681  -8.858
  179    HH   TYR  29           HH       TYR  29  -4.340  -3.609  -8.637
  180    H    CYS  30           H        CYS  30   4.165  -2.103  -5.640
  181    HA   CYS  30           HA       CYS  30   4.708  -1.021  -3.003
  182   1HB   CYS  30          1HB       CYS  30   4.188  -3.612  -2.960
  183   2HB   CYS  30          2HB       CYS  30   5.847  -3.732  -3.537
  184    H    GLY  31           H        GLY  31   5.351  -0.324  -5.766
  185   1HA   GLY  31          1HA       GLY  31   8.151  -0.964  -6.125
  186   2HA   GLY  31          2HA       GLY  31   7.177   0.079  -7.150
  187    H    ALA  32           H        ALA  32   9.340   1.253  -7.003
  188    HA   ALA  32           HA       ALA  32   9.900   2.667  -4.571
  189   1HB   ALA  32          1HB       ALA  32  11.477   3.963  -6.113
  190   2HB   ALA  32          2HB       ALA  32  10.998   2.812  -7.360
  191   3HB   ALA  32          3HB       ALA  32  11.786   2.241  -5.889
  192    H    GLY  33           H        GLY  33   8.128   3.318  -7.520
  193   1HA   GLY  33          1HA       GLY  33   7.466   5.996  -6.458
  194   2HA   GLY  33          2HA       GLY  33   7.556   5.629  -8.174
  195    H    ASN  34           H        ASN  34   6.162   3.178  -6.238
  196    HA   ASN  34           HA       ASN  34   3.447   4.175  -6.670
  197   1HB   ASN  34          1HB       ASN  34   4.403   1.466  -7.623
  198   2HB   ASN  34          2HB       ASN  34   2.738   2.037  -7.664
  199   1HD2  ASN  34          1HD2      ASN  34   4.663   1.214  -9.787
  200   2HD2  ASN  34          2HD2      ASN  34   4.669   2.527 -10.909
  201    H    CYS  35           H        CYS  35   5.050   3.858  -4.299
  202    HA   CYS  35           HA       CYS  35   3.329   1.966  -2.862
  203   1HB   CYS  35          1HB       CYS  35   5.490   0.855  -3.232
  204   2HB   CYS  35          2HB       CYS  35   6.320   2.215  -2.483
  205    H    ARG  36           H        ARG  36   2.123   3.348  -1.695
  206    HA   ARG  36           HA       ARG  36   3.235   5.754  -0.560
  207   1HB   ARG  36          1HB       ARG  36   0.799   5.289  -1.400
  208   2HB   ARG  36          2HB       ARG  36   0.564   4.639   0.215
  209   1HG   ARG  36          1HG       ARG  36   0.293   6.672   1.040
  210   2HG   ARG  36          2HG       ARG  36   1.860   7.177   0.406
  211   1HD   ARG  36          1HD       ARG  36   0.198   8.630  -0.503
  212   2HD   ARG  36          2HD       ARG  36   0.757   7.571  -1.797
  213    HE   ARG  36           HE       ARG  36  -1.409   6.272  -0.850
  214   1HH1  ARG  36          1HH1      ARG  36  -0.888   9.563  -1.887
  215   2HH1  ARG  36          2HH1      ARG  36  -2.515   9.780  -2.437
  216   1HH2  ARG  36          1HH2      ARG  36  -3.550   6.555  -1.573
  217   2HH2  ARG  36          2HH2      ARG  36  -4.027   8.072  -2.259
  218    H    CYS  37           H        CYS  37   1.817   2.769   0.770
  219    HA   CYS  37           HA       CYS  37   3.404   3.215   3.211
  220   1HB   CYS  37          1HB       CYS  37   0.527   2.797   2.896
  221   2HB   CYS  37          2HB       CYS  37   1.262   1.672   4.032
  222    H    GLN  38           H        GLN  38   3.793   1.188   4.457
  223    HA   GLN  38           HA       GLN  38   4.663  -0.907   4.603
  224   1HB   GLN  38          1HB       GLN  38   2.258  -1.406   3.835
  225   2HB   GLN  38          2HB       GLN  38   2.958  -1.688   2.247
  226   1HG   GLN  38          1HG       GLN  38   3.676  -3.707   2.817
  227   2HG   GLN  38          2HG       GLN  38   4.386  -3.116   4.318
  228   1HE2  GLN  38          1HE2      GLN  38   2.258  -2.218   5.703
  229   2HE2  GLN  38          2HE2      GLN  38   1.164  -3.511   6.044
  230    H    CYS  39           H        CYS  39   6.202   0.875   3.252
  231    HA   CYS  39           HA       CYS  39   7.232  -0.605   0.929
  232   1HB   CYS  39          1HB       CYS  39   7.990   2.207   1.706
  233   2HB   CYS  39          2HB       CYS  39   8.200   1.416   0.148
  234    H    ARG  40           H        ARG  40   8.035   0.612   4.098
  235    HA   ARG  40           HA       ARG  40  10.752  -0.488   3.826
  236   1HB   ARG  40          1HB       ARG  40   9.636   1.833   5.270
  237   2HB   ARG  40          2HB       ARG  40  10.832   0.901   6.160
  238   1HG   ARG  40          1HG       ARG  40  11.299   1.946   3.382
  239   2HG   ARG  40          2HG       ARG  40  11.721   2.841   4.843
  240   1HD   ARG  40          1HD       ARG  40  12.736   0.094   4.118
  241   2HD   ARG  40          2HD       ARG  40  13.633   1.598   3.915
  242    HE   ARG  40           HE       ARG  40  13.007   1.618   6.541
  243   1HH1  ARG  40          1HH1      ARG  40  14.499  -0.767   4.476
  244   2HH1  ARG  40          2HH1      ARG  40  15.456  -1.451   5.747
  245   1HH2  ARG  40          1HH2      ARG  40  14.267   0.722   8.213
  246   2HH2  ARG  40          2HH2      ARG  40  15.324  -0.606   7.869
  247    H    GLY  41           H        GLY  41   8.312  -2.038   4.342
  248   1HA   GLY  41          1HA       GLY  41   8.651  -2.851   7.137
  249   2HA   GLY  41          2HA       GLY  41   7.344  -3.342   6.070
  Start of MODEL    5
    1    HN   PCA   1           HN       PCA   1  -8.613   2.081  -0.953
    2    HA   PCA   1           HA       PCA   1  -9.193   4.329  -1.852
    3   1HB   PCA   1          1HB       PCA   1 -11.442   4.531  -2.108
    4   2HB   PCA   1          2HB       PCA   1 -11.762   3.946  -0.472
    5   1HG   PCA   1          1HG       PCA   1 -11.622   2.454  -3.000
    6   2HG   PCA   1          2HG       PCA   1 -12.386   2.000  -1.466
    7    H    THR   2           H        THR   2  -9.505   2.594   1.147
    8    HA   THR   2           HA       THR   2  -9.120   5.100   2.646
    9    HB   THR   2           HB       THR   2 -10.110   4.044   4.555
   10    HG1  THR   2           HG1      THR   2 -10.239   1.663   3.022
   11   1HG2  THR   2          1HG2      THR   2 -11.554   4.203   2.095
   12   2HG2  THR   2          2HG2      THR   2 -12.114   4.483   3.744
   13   3HG2  THR   2          3HG2      THR   2 -12.158   2.857   3.061
   14    H    CYS   3           H        CYS   3  -7.018   3.635   1.294
   15    HA   CYS   3           HA       CYS   3  -5.545   2.028   3.082
   16   1HB   CYS   3          1HB       CYS   3  -5.136   2.049   0.658
   17   2HB   CYS   3          2HB       CYS   3  -4.556   3.707   0.767
   18    H    ALA   4           H        ALA   4  -5.290   5.481   2.274
   19    HA   ALA   4           HA       ALA   4  -3.147   6.066   3.991
   20   1HB   ALA   4          1HB       ALA   4  -5.108   7.586   2.438
   21   2HB   ALA   4          2HB       ALA   4  -3.378   7.851   2.655
   22   3HB   ALA   4          3HB       ALA   4  -4.516   8.420   3.875
   23    H    SER   5           H        SER   5  -6.624   6.005   4.516
   24    HA   SER   5           HA       SER   5  -6.578   7.180   7.098
   25   1HB   SER   5          1HB       SER   5  -8.608   5.480   5.651
   26   2HB   SER   5          2HB       SER   5  -8.878   6.079   7.287
   27    HG   SER   5           HG       SER   5  -9.138   8.049   6.538
   28    H    ARG   6           H        ARG   6  -6.083   3.943   5.916
   29    HA   ARG   6           HA       ARG   6  -6.028   2.921   8.670
   30   1HB   ARG   6          1HB       ARG   6  -7.062   1.854   6.262
   31   2HB   ARG   6          2HB       ARG   6  -5.687   0.855   6.707
   32   1HG   ARG   6          1HG       ARG   6  -7.901   1.538   8.620
   33   2HG   ARG   6          2HG       ARG   6  -7.921   0.110   7.584
   34   1HD   ARG   6          1HD       ARG   6  -5.442   0.488   9.108
   35   2HD   ARG   6          2HD       ARG   6  -6.874   0.201  10.095
   36    HE   ARG   6           HE       ARG   6  -6.578  -1.643   7.907
   37   1HH1  ARG   6          1HH1      ARG   6  -5.723  -0.970  11.223
   38   2HH1  ARG   6          2HH1      ARG   6  -5.423  -2.630  11.613
   39   1HH2  ARG   6          1HH2      ARG   6  -6.184  -3.827   8.419
   40   2HH2  ARG   6          2HH2      ARG   6  -5.684  -4.252  10.022
   41    H    CYS   7           H        CYS   7  -3.911   4.542   7.407
   42    HA   CYS   7           HA       CYS   7  -1.729   2.654   7.023
   43   1HB   CYS   7          1HB       CYS   7  -2.110   5.583   6.609
   44   2HB   CYS   7          2HB       CYS   7  -0.473   4.996   6.878
   45    HA   PRO   8           HA       PRO   8   0.499   3.300   7.007
   46   1HB   PRO   8          1HB       PRO   8   2.825   2.515   8.031
   47   2HB   PRO   8          2HB       PRO   8   2.330   4.211   8.105
   48   1HG   PRO   8          1HG       PRO   8   2.311   2.135  10.245
   49   2HG   PRO   8          2HG       PRO   8   2.670   3.866  10.361
   50   1HD   PRO   8          1HD       PRO   8   0.223   2.631  10.977
   51   2HD   PRO   8          2HD       PRO   8   0.493   4.370  10.758
   52    H    ARG   9           H        ARG   9  -1.111   1.271   8.837
   53    HA   ARG   9           HA       ARG   9   0.046  -1.113   7.559
   54   1HB   ARG   9          1HB       ARG   9  -0.610  -0.644  10.408
   55   2HB   ARG   9          2HB       ARG   9  -1.096  -2.201   9.752
   56   1HG   ARG   9          1HG       ARG   9   1.023  -2.942   9.570
   57   2HG   ARG   9          2HG       ARG   9   1.657  -1.353   9.137
   58   1HD   ARG   9          1HD       ARG   9   0.906  -0.923  11.704
   59   2HD   ARG   9          2HD       ARG   9   1.360  -2.625  11.775
   60    HE   ARG   9           HE       ARG   9   3.303  -0.957  10.465
   61   1HH1  ARG   9          1HH1      ARG   9   2.202  -2.204  13.533
   62   2HH1  ARG   9          2HH1      ARG   9   3.741  -2.013  14.304
   63   1HH2  ARG   9          1HH2      ARG   9   5.327  -0.705  11.478
   64   2HH2  ARG   9          2HH2      ARG   9   5.515  -1.162  13.138
   65    HA   PRO  10           HA       PRO  10  -4.515  -0.731   6.682
   66   1HB   PRO  10          1HB       PRO  10  -4.445  -0.174   4.069
   67   2HB   PRO  10          2HB       PRO  10  -4.212   1.092   5.281
   68   1HG   PRO  10          1HG       PRO  10  -2.179  -0.345   3.626
   69   2HG   PRO  10          2HG       PRO  10  -2.257   1.370   4.065
   70   1HD   PRO  10          1HD       PRO  10  -0.678  -0.518   5.333
   71   2HD   PRO  10          2HD       PRO  10  -1.191   1.020   6.051
   72    H    CYS  11           H        CYS  11  -2.026  -2.113   4.545
   73    HA   CYS  11           HA       CYS  11  -3.813  -4.321   3.865
   74   1HB   CYS  11          1HB       CYS  11  -1.011  -3.939   2.829
   75   2HB   CYS  11          2HB       CYS  11  -2.338  -4.827   2.090
   76    H    ASN  12           H        ASN  12  -2.891  -6.543   3.860
   77    HA   ASN  12           HA       ASN  12  -1.840  -7.155   6.447
   78   1HB   ASN  12          1HB       ASN  12  -3.412  -8.517   4.720
   79   2HB   ASN  12          2HB       ASN  12  -1.859  -9.271   4.375
   80   1HD2  ASN  12          1HD2      ASN  12  -1.487 -11.020   5.506
   81   2HD2  ASN  12          2HD2      ASN  12  -2.056 -11.349   7.104
   82    H    ALA  13           H        ALA  13  -0.111  -9.181   6.209
   83    HA   ALA  13           HA       ALA  13   2.320  -7.836   5.449
   84   1HB   ALA  13          1HB       ALA  13   2.143 -10.683   6.381
   85   2HB   ALA  13          2HB       ALA  13   1.966  -9.330   7.498
   86   3HB   ALA  13          3HB       ALA  13   3.462  -9.531   6.587
   87    H    GLY  14           H        GLY  14   3.546  -8.167   3.685
   88   1HA   GLY  14          1HA       GLY  14   4.437  -9.573   1.953
   89   2HA   GLY  14          2HA       GLY  14   2.929 -10.475   1.966
   90    H    LEU  15           H        LEU  15   1.399  -7.892   2.071
   91    HA   LEU  15           HA       LEU  15   1.645  -7.249  -0.791
   92   1HB   LEU  15          1HB       LEU  15  -0.766  -6.920   0.995
   93   2HB   LEU  15          2HB       LEU  15  -0.708  -6.650  -0.737
   94    HG   LEU  15           HG       LEU  15   0.039  -9.190  -0.765
   95   1HD1  LEU  15          1HD1      LEU  15   0.147  -9.708   1.504
   96   2HD1  LEU  15          2HD1      LEU  15  -1.415 -10.354   0.999
   97   3HD1  LEU  15          3HD1      LEU  15  -1.334  -8.824   1.874
   98   1HD2  LEU  15          1HD2      LEU  15  -1.830  -8.743  -2.002
   99   2HD2  LEU  15          2HD2      LEU  15  -2.649  -7.921  -0.674
  100   3HD2  LEU  15          3HD2      LEU  15  -2.551  -9.682  -0.695
  101    H    CYS  16           H        CYS  16   1.869  -5.172  -1.452
  102    HA   CYS  16           HA       CYS  16   2.165  -3.149   0.663
  103   1HB   CYS  16          1HB       CYS  16   3.378  -3.276  -2.104
  104   2HB   CYS  16          2HB       CYS  16   3.578  -1.930  -0.988
  105    H    CYS  17           H        CYS  17   1.352  -1.041   0.329
  106    HA   CYS  17           HA       CYS  17  -1.024  -0.997  -1.370
  107   1HB   CYS  17          1HB       CYS  17  -0.968  -0.344   1.137
  108   2HB   CYS  17          2HB       CYS  17  -0.252   1.162   0.574
  109    H    SER  18           H        SER  18  -0.961  -0.068  -3.294
  110    HA   SER  18           HA       SER  18   1.267   1.560  -4.100
  111   1HB   SER  18          1HB       SER  18  -0.309  -0.128  -5.473
  112   2HB   SER  18          2HB       SER  18  -1.148   1.383  -5.825
  113    HG   SER  18           HG       SER  18   0.371   1.252  -7.373
  114    H    ILE  19           H        ILE  19   1.249   3.712  -4.693
  115    HA   ILE  19           HA       ILE  19   0.009   5.546  -3.130
  116    HB   ILE  19           HB       ILE  19   0.460   7.240  -4.876
  117   1HG1  ILE  19          1HG1      ILE  19   1.816   5.334  -6.652
  118   2HG1  ILE  19          2HG1      ILE  19   0.064   5.186  -6.656
  119   1HG2  ILE  19          1HG2      ILE  19   2.426   5.300  -3.858
  120   2HG2  ILE  19          2HG2      ILE  19   2.360   7.054  -3.681
  121   3HG2  ILE  19          3HG2      ILE  19   2.983   6.341  -5.169
  122   1HD1  ILE  19          1HD1      ILE  19   0.201   6.755  -8.246
  123   2HD1  ILE  19          2HD1      ILE  19   1.785   7.314  -7.707
  124   3HD1  ILE  19          3HD1      ILE  19   0.328   7.858  -6.876
  125    H    TYR  20           H        TYR  20  -1.333   4.013  -5.968
  126    HA   TYR  20           HA       TYR  20  -3.428   5.790  -6.507
  127   1HB   TYR  20          1HB       TYR  20  -2.845   2.947  -7.107
  128   2HB   TYR  20          2HB       TYR  20  -4.531   3.438  -7.227
  129    HD1  TYR  20           HD1      TYR  20  -5.023   3.562  -9.492
  130    HD2  TYR  20           HD2      TYR  20  -1.402   5.286  -8.072
  131    HE1  TYR  20           HE1      TYR  20  -4.597   4.492 -11.728
  132    HE2  TYR  20           HE2      TYR  20  -0.966   6.221 -10.304
  133    HH   TYR  20           HH       TYR  20  -1.956   5.332 -12.898
  134    H    GLY  21           H        GLY  21  -2.946   3.659  -3.870
  135   1HA   GLY  21          1HA       GLY  21  -4.237   3.799  -1.888
  136   2HA   GLY  21          2HA       GLY  21  -5.602   4.354  -2.848
  137    H    TYR  22           H        TYR  22  -3.516   1.537  -3.377
  138    HA   TYR  22           HA       TYR  22  -5.652  -0.260  -2.548
  139   1HB   TYR  22          1HB       TYR  22  -4.838   0.149  -5.394
  140   2HB   TYR  22          2HB       TYR  22  -5.276  -1.472  -4.864
  141    HD1  TYR  22           HD1      TYR  22  -6.499   1.919  -5.504
  142    HD2  TYR  22           HD2      TYR  22  -7.562  -1.996  -4.222
  143    HE1  TYR  22           HE1      TYR  22  -8.876   2.476  -5.794
  144    HE2  TYR  22           HE2      TYR  22  -9.942  -1.451  -4.509
  145    HH   TYR  22           HH       TYR  22 -11.014   1.280  -6.181
  146    H    CYS  23           H        CYS  23  -4.967  -2.318  -2.044
  147    HA   CYS  23           HA       CYS  23  -2.139  -2.611  -1.586
  148   1HB   CYS  23          1HB       CYS  23  -4.326  -4.640  -1.100
  149   2HB   CYS  23          2HB       CYS  23  -2.718  -4.619  -0.383
  150    H    GLY  24           H        GLY  24  -0.913  -4.510  -2.246
  151   1HA   GLY  24          1HA       GLY  24  -1.774  -6.303  -4.235
  152   2HA   GLY  24          2HA       GLY  24  -0.988  -4.940  -5.016
  153    H    SER  25           H        SER  25   0.857  -5.869  -5.733
  154    HA   SER  25           HA       SER  25   2.887  -6.458  -3.787
  155   1HB   SER  25          1HB       SER  25   3.147  -8.732  -5.362
  156   2HB   SER  25          2HB       SER  25   2.543  -8.681  -3.706
  157    HG   SER  25           HG       SER  25   0.738  -9.362  -4.512
  158    H    GLY  26           H        GLY  26   4.792  -7.642  -5.297
  159   1HA   GLY  26          1HA       GLY  26   6.390  -7.205  -6.883
  160   2HA   GLY  26          2HA       GLY  26   5.062  -6.765  -7.945
  161    H    ALA  27           H        ALA  27   6.749  -5.234  -8.728
  162    HA   ALA  27           HA       ALA  27   7.442  -3.010  -7.045
  163   1HB   ALA  27          1HB       ALA  27   8.102  -2.125  -9.479
  164   2HB   ALA  27          2HB       ALA  27   8.017  -3.853  -9.821
  165   3HB   ALA  27          3HB       ALA  27   9.103  -3.254  -8.567
  166    H    ALA  28           H        ALA  28   4.913  -3.759  -9.312
  167    HA   ALA  28           HA       ALA  28   4.067  -1.194 -10.012
  168   1HB   ALA  28          1HB       ALA  28   3.262  -3.676 -10.667
  169   2HB   ALA  28          2HB       ALA  28   2.323  -2.222 -11.008
  170   3HB   ALA  28          3HB       ALA  28   1.950  -3.200  -9.588
  171    H    TYR  29           H        TYR  29   3.421  -3.123  -7.149
  172    HA   TYR  29           HA       TYR  29   1.837  -0.901  -6.045
  173   1HB   TYR  29          1HB       TYR  29   1.775  -3.859  -5.611
  174   2HB   TYR  29          2HB       TYR  29   1.269  -2.797  -4.300
  175    HD1  TYR  29           HD1      TYR  29   0.699  -3.162  -7.981
  176    HD2  TYR  29           HD2      TYR  29  -0.982  -2.328  -4.163
  177    HE1  TYR  29           HE1      TYR  29  -1.525  -2.964  -9.010
  178    HE2  TYR  29           HE2      TYR  29  -3.211  -2.129  -5.181
  179    HH   TYR  29           HH       TYR  29  -4.404  -2.823  -7.154
  180    H    CYS  30           H        CYS  30   4.679  -2.855  -5.623
  181    HA   CYS  30           HA       CYS  30   5.341  -1.302  -3.207
  182   1HB   CYS  30          1HB       CYS  30   4.953  -3.937  -3.127
  183   2HB   CYS  30          2HB       CYS  30   6.628  -3.950  -3.667
  184    H    GLY  31           H        GLY  31   5.944  -0.196  -5.598
  185   1HA   GLY  31          1HA       GLY  31   8.853  -0.665  -5.841
  186   2HA   GLY  31          2HA       GLY  31   7.839  -0.261  -7.218
  187    H    ALA  32           H        ALA  32  10.139   1.183  -6.462
  188    HA   ALA  32           HA       ALA  32   9.649   3.447  -4.898
  189   1HB   ALA  32          1HB       ALA  32  11.403   3.819  -7.237
  190   2HB   ALA  32          2HB       ALA  32  11.816   2.480  -6.167
  191   3HB   ALA  32          3HB       ALA  32  11.709   4.119  -5.526
  192    H    GLY  33           H        GLY  33   8.167   4.975  -5.171
  193   1HA   GLY  33          1HA       GLY  33   7.399   6.873  -6.436
  194   2HA   GLY  33          2HA       GLY  33   7.643   5.940  -7.904
  195    H    ASN  34           H        ASN  34   6.349   3.621  -6.277
  196    HA   ASN  34           HA       ASN  34   3.566   4.534  -6.490
  197   1HB   ASN  34          1HB       ASN  34   4.649   1.930  -7.586
  198   2HB   ASN  34          2HB       ASN  34   2.956   2.415  -7.582
  199   1HD2  ASN  34          1HD2      ASN  34   4.115   1.728  -9.917
  200   2HD2  ASN  34          2HD2      ASN  34   4.342   3.121 -10.913
  201    H    CYS  35           H        CYS  35   4.924   4.392  -4.107
  202    HA   CYS  35           HA       CYS  35   3.661   2.058  -2.830
  203   1HB   CYS  35          1HB       CYS  35   6.081   1.731  -2.867
  204   2HB   CYS  35          2HB       CYS  35   6.324   3.307  -2.123
  205    H    ARG  36           H        ARG  36   1.928   2.896  -1.835
  206    HA   ARG  36           HA       ARG  36   1.952   5.535  -0.680
  207   1HB   ARG  36          1HB       ARG  36  -0.036   4.237  -1.768
  208   2HB   ARG  36          2HB       ARG  36  -0.199   3.506  -0.180
  209   1HG   ARG  36          1HG       ARG  36  -1.684   5.438  -0.505
  210   2HG   ARG  36          2HG       ARG  36  -0.556   5.659   0.833
  211   1HD   ARG  36          1HD       ARG  36   0.287   7.489  -0.104
  212   2HD   ARG  36          2HD       ARG  36   0.598   6.634  -1.613
  213    HE   ARG  36           HE       ARG  36  -2.077   7.142  -1.672
  214   1HH1  ARG  36          1HH1      ARG  36   0.773   9.115  -1.268
  215   2HH1  ARG  36          2HH1      ARG  36   0.056  10.518  -1.986
  216   1HH2  ARG  36          1HH2      ARG  36  -3.022   8.986  -2.616
  217   2HH2  ARG  36          2HH2      ARG  36  -2.099  10.445  -2.751
  218    H    CYS  37           H        CYS  37   1.405   2.270   0.654
  219    HA   CYS  37           HA       CYS  37   2.825   3.062   3.079
  220   1HB   CYS  37          1HB       CYS  37  -0.068   2.428   2.903
  221   2HB   CYS  37          2HB       CYS  37   0.811   1.711   4.248
  222    H    GLN  38           H        GLN  38   3.084   1.110   4.568
  223    HA   GLN  38           HA       GLN  38   3.923  -0.974   4.911
  224   1HB   GLN  38          1HB       GLN  38   1.808  -1.418   2.868
  225   2HB   GLN  38          2HB       GLN  38   2.952  -2.726   3.135
  226   1HG   GLN  38          1HG       GLN  38   1.768  -1.521   5.550
  227   2HG   GLN  38          2HG       GLN  38   0.676  -2.437   4.512
  228   1HE2  GLN  38          1HE2      GLN  38   1.874  -4.546   3.687
  229   2HE2  GLN  38          2HE2      GLN  38   2.546  -5.502   4.959
  230    H    CYS  39           H        CYS  39   5.565   0.708   3.560
  231    HA   CYS  39           HA       CYS  39   6.596  -0.574   1.187
  232   1HB   CYS  39          1HB       CYS  39   6.761   2.003   2.333
  233   2HB   CYS  39          2HB       CYS  39   8.405   1.375   2.283
  234    H    ARG  40           H        ARG  40   7.207  -0.641   4.590
  235    HA   ARG  40           HA       ARG  40   9.869  -1.453   4.668
  236   1HB   ARG  40          1HB       ARG  40   8.039  -0.957   6.554
  237   2HB   ARG  40          2HB       ARG  40   7.965  -2.714   6.572
  238   1HG   ARG  40          1HG       ARG  40   9.513  -1.991   8.243
  239   2HG   ARG  40          2HG       ARG  40  10.415  -2.766   6.939
  240   1HD   ARG  40          1HD       ARG  40  10.102   0.080   6.492
  241   2HD   ARG  40          2HD       ARG  40  10.889  -0.258   8.033
  242    HE   ARG  40           HE       ARG  40  11.989  -0.627   5.420
  243   1HH1  ARG  40          1HH1      ARG  40  12.075  -1.798   8.706
  244   2HH1  ARG  40          2HH1      ARG  40  13.687  -2.415   8.576
  245   1HH2  ARG  40          1HH2      ARG  40  14.109  -1.439   5.247
  246   2HH2  ARG  40          2HH2      ARG  40  14.843  -2.211   6.613
  247    H    GLY  41           H        GLY  41   6.975  -3.234   3.864
  248   1HA   GLY  41          1HA       GLY  41   7.020  -5.183   2.512
  249   2HA   GLY  41          2HA       GLY  41   8.659  -5.496   3.062
  Start of MODEL    6
    1    HN   PCA   1           HN       PCA   1  -7.905   0.747  -1.779
    2    HA   PCA   1           HA       PCA   1  -9.309   2.352  -3.064
    3   1HB   PCA   1          1HB       PCA   1 -11.516   1.918  -2.739
    4   2HB   PCA   1          2HB       PCA   1 -11.331   1.871  -0.982
    5   1HG   PCA   1          1HG       PCA   1 -11.206  -0.319  -2.938
    6   2HG   PCA   1          2HG       PCA   1 -11.493  -0.386  -1.190
    7    H    THR   2           H        THR   2  -8.668   1.708   0.318
    8    HA   THR   2           HA       THR   2  -7.971   4.487   0.736
    9    HB   THR   2           HB       THR   2  -9.385   4.363   2.949
   10    HG1  THR   2           HG1      THR   2 -10.098   2.193   2.467
   11   1HG2  THR   2          1HG2      THR   2  -9.727   5.784   0.741
   12   2HG2  THR   2          2HG2      THR   2 -10.912   5.764   2.047
   13   3HG2  THR   2          3HG2      THR   2 -11.158   4.761   0.618
   14    H    CYS   3           H        CYS   3  -6.494   2.051   0.659
   15    HA   CYS   3           HA       CYS   3  -5.951   0.993   3.204
   16   1HB   CYS   3          1HB       CYS   3  -3.756   0.295   2.150
   17   2HB   CYS   3          2HB       CYS   3  -5.208  -0.233   1.307
   18    H    ALA   4           H        ALA   4  -4.816   3.864   1.575
   19    HA   ALA   4           HA       ALA   4  -2.534   4.437   3.061
   20   1HB   ALA   4          1HB       ALA   4  -4.496   6.105   1.559
   21   2HB   ALA   4          2HB       ALA   4  -2.788   5.811   1.235
   22   3HB   ALA   4          3HB       ALA   4  -3.263   6.892   2.545
   23    H    SER   5           H        SER   5  -5.923   5.085   3.766
   24    HA   SER   5           HA       SER   5  -5.441   6.652   6.089
   25   1HB   SER   5          1HB       SER   5  -7.579   6.568   4.685
   26   2HB   SER   5          2HB       SER   5  -7.957   5.078   5.549
   27    HG   SER   5           HG       SER   5  -7.418   7.575   6.785
   28    H    ARG   6           H        ARG   6  -5.424   3.267   5.475
   29    HA   ARG   6           HA       ARG   6  -5.709   2.621   8.313
   30   1HB   ARG   6          1HB       ARG   6  -5.512   0.841   5.879
   31   2HB   ARG   6          2HB       ARG   6  -5.692   0.261   7.529
   32   1HG   ARG   6          1HG       ARG   6  -7.736   2.172   7.030
   33   2HG   ARG   6          2HG       ARG   6  -7.707   1.021   5.694
   34   1HD   ARG   6          1HD       ARG   6  -7.786   0.257   8.610
   35   2HD   ARG   6          2HD       ARG   6  -9.204   0.356   7.566
   36    HE   ARG   6           HE       ARG   6  -7.419  -1.325   6.294
   37   1HH1  ARG   6          1HH1      ARG   6  -9.152  -1.266   9.321
   38   2HH1  ARG   6          2HH1      ARG   6  -9.248  -2.990   9.444
   39   1HH2  ARG   6          1HH2      ARG   6  -7.545  -3.594   6.453
   40   2HH2  ARG   6          2HH2      ARG   6  -8.335  -4.312   7.817
   41    H    CYS   7           H        CYS   7  -3.333   3.974   7.045
   42    HA   CYS   7           HA       CYS   7  -1.180   2.114   7.050
   43   1HB   CYS   7          1HB       CYS   7  -1.420   5.095   7.025
   44   2HB   CYS   7          2HB       CYS   7   0.143   4.373   7.388
   45    HA   PRO   8           HA       PRO   8   1.060   2.648   7.496
   46   1HB   PRO   8          1HB       PRO   8   3.072   1.424   8.746
   47   2HB   PRO   8          2HB       PRO   8   2.742   3.140   9.015
   48   1HG   PRO   8          1HG       PRO   8   2.072   0.788  10.733
   49   2HG   PRO   8          2HG       PRO   8   2.646   2.396  11.208
   50   1HD   PRO   8          1HD       PRO   8  -0.003   1.560  11.266
   51   2HD   PRO   8          2HD       PRO   8   0.535   3.251  11.249
   52    H    ARG   9           H        ARG   9  -0.789   0.392   9.094
   53    HA   ARG   9           HA       ARG   9   0.140  -1.756   7.306
   54   1HB   ARG   9          1HB       ARG   9  -0.915  -2.067  10.123
   55   2HB   ARG   9          2HB       ARG   9  -0.517  -3.391   9.036
   56   1HG   ARG   9          1HG       ARG   9   1.802  -1.976   9.023
   57   2HG   ARG   9          2HG       ARG   9   1.228  -1.697  10.668
   58   1HD   ARG   9          1HD       ARG   9   1.046  -4.473   9.690
   59   2HD   ARG   9          2HD       ARG   9   2.677  -3.846   9.920
   60    HE   ARG   9           HE       ARG   9   0.759  -4.487  11.963
   61   1HH1  ARG   9          1HH1      ARG   9   3.588  -2.598  11.185
   62   2HH1  ARG   9          2HH1      ARG   9   4.095  -2.448  12.833
   63   1HH2  ARG   9          1HH2      ARG   9   1.424  -4.289  14.133
   64   2HH2  ARG   9          2HH2      ARG   9   2.867  -3.408  14.507
   65    HA   PRO  10           HA       PRO  10  -4.317  -0.769   6.443
   66   1HB   PRO  10          1HB       PRO  10  -3.488  -1.246   3.666
   67   2HB   PRO  10          2HB       PRO  10  -4.297   0.157   4.368
   68   1HG   PRO  10          1HG       PRO  10  -1.735   0.252   3.548
   69   2HG   PRO  10          2HG       PRO  10  -2.313   1.181   4.944
   70   1HD   PRO  10          1HD       PRO  10  -0.781  -1.394   4.883
   71   2HD   PRO  10          2HD       PRO  10  -0.575   0.015   5.946
   72    H    CYS  11           H        CYS  11  -2.634  -2.963   4.194
   73    HA   CYS  11           HA       CYS  11  -4.733  -4.947   4.637
   74   1HB   CYS  11          1HB       CYS  11  -2.508  -5.044   2.598
   75   2HB   CYS  11          2HB       CYS  11  -3.992  -5.990   2.610
   76    H    ASN  12           H        ASN  12  -3.747  -7.311   4.293
   77    HA   ASN  12           HA       ASN  12  -2.323  -7.887   6.662
   78   1HB   ASN  12          1HB       ASN  12  -3.833  -9.339   4.858
   79   2HB   ASN  12          2HB       ASN  12  -2.212  -9.986   4.627
   80   1HD2  ASN  12          1HD2      ASN  12  -4.805 -10.916   5.957
   81   2HD2  ASN  12          2HD2      ASN  12  -4.274 -11.534   7.481
   82    H    ALA  13           H        ALA  13  -0.450  -9.760   6.109
   83    HA   ALA  13           HA       ALA  13   1.780  -8.135   5.284
   84   1HB   ALA  13          1HB       ALA  13   2.686 -10.751   5.680
   85   2HB   ALA  13          2HB       ALA  13   1.385 -10.519   6.848
   86   3HB   ALA  13          3HB       ALA  13   2.755  -9.410   6.823
   87    H    GLY  14           H        GLY  14   2.963  -8.281   3.445
   88   1HA   GLY  14          1HA       GLY  14   3.781  -9.552   1.554
   89   2HA   GLY  14          2HA       GLY  14   2.241 -10.397   1.522
   90    H    LEU  15           H        LEU  15   0.759  -7.857   1.946
   91    HA   LEU  15           HA       LEU  15   0.767  -7.012  -0.849
   92   1HB   LEU  15          1HB       LEU  15  -1.190  -6.557   1.401
   93   2HB   LEU  15          2HB       LEU  15  -1.368  -5.854  -0.196
   94    HG   LEU  15           HG       LEU  15  -1.080  -8.494  -0.815
   95   1HD1  LEU  15          1HD1      LEU  15  -2.970  -8.620   1.474
   96   2HD1  LEU  15          2HD1      LEU  15  -1.242  -8.761   1.803
   97   3HD1  LEU  15          3HD1      LEU  15  -2.028  -9.901   0.710
   98   1HD2  LEU  15          1HD2      LEU  15  -2.769  -6.902  -1.655
   99   2HD2  LEU  15          2HD2      LEU  15  -3.676  -7.110  -0.157
  100   3HD2  LEU  15          3HD2      LEU  15  -3.454  -8.476  -1.250
  101    H    CYS  16           H        CYS  16   0.238  -4.623  -1.209
  102    HA   CYS  16           HA       CYS  16   1.551  -2.875   0.733
  103   1HB   CYS  16          1HB       CYS  16   2.296  -2.850  -2.196
  104   2HB   CYS  16          2HB       CYS  16   3.003  -1.876  -0.911
  105    H    CYS  17           H        CYS  17   0.979  -0.677   0.561
  106    HA   CYS  17           HA       CYS  17  -1.545  -0.250  -0.861
  107   1HB   CYS  17          1HB       CYS  17  -1.577   0.214   1.531
  108   2HB   CYS  17          2HB       CYS  17  -0.225   1.329   1.358
  109    H    SER  18           H        SER  18  -1.279   0.533  -2.853
  110    HA   SER  18           HA       SER  18   0.980   2.087  -3.637
  111   1HB   SER  18          1HB       SER  18  -1.230   0.773  -4.932
  112   2HB   SER  18          2HB       SER  18  -1.070   2.413  -5.559
  113    HG   SER  18           HG       SER  18   0.854   1.940  -6.367
  114    H    ILE  19           H        ILE  19   1.205   4.239  -3.896
  115    HA   ILE  19           HA       ILE  19  -0.086   6.057  -2.343
  116    HB   ILE  19           HB       ILE  19   0.708   7.818  -3.972
  117   1HG1  ILE  19          1HG1      ILE  19   2.169   5.616  -5.382
  118   2HG1  ILE  19          2HG1      ILE  19   0.535   6.027  -5.893
  119   1HG2  ILE  19          1HG2      ILE  19   3.149   7.200  -3.610
  120   2HG2  ILE  19          2HG2      ILE  19   2.548   5.725  -2.853
  121   3HG2  ILE  19          3HG2      ILE  19   2.129   7.298  -2.175
  122   1HD1  ILE  19          1HD1      ILE  19   2.176   8.383  -5.604
  123   2HD1  ILE  19          2HD1      ILE  19   1.245   7.813  -6.990
  124   3HD1  ILE  19          3HD1      ILE  19   2.885   7.219  -6.724
  125    H    TYR  20           H        TYR  20  -1.062   4.956  -5.524
  126    HA   TYR  20           HA       TYR  20  -2.922   6.942  -6.152
  127   1HB   TYR  20          1HB       TYR  20  -2.596   4.071  -6.926
  128   2HB   TYR  20          2HB       TYR  20  -4.068   4.919  -7.387
  129    HD1  TYR  20           HD1      TYR  20  -0.939   4.008  -8.517
  130    HD2  TYR  20           HD2      TYR  20  -3.520   7.388  -8.395
  131    HE1  TYR  20           HE1      TYR  20   0.229   4.963 -10.459
  132    HE2  TYR  20           HE2      TYR  20  -2.360   8.352 -10.338
  133    HH   TYR  20           HH       TYR  20   0.056   8.089 -11.355
  134    H    GLY  21           H        GLY  21  -3.033   4.481  -3.760
  135   1HA   GLY  21          1HA       GLY  21  -4.620   4.591  -1.980
  136   2HA   GLY  21          2HA       GLY  21  -5.779   5.290  -3.102
  137    H    TYR  22           H        TYR  22  -3.760   2.408  -3.511
  138    HA   TYR  22           HA       TYR  22  -6.094   0.686  -3.225
  139   1HB   TYR  22          1HB       TYR  22  -4.789   1.324  -5.807
  140   2HB   TYR  22          2HB       TYR  22  -5.156  -0.374  -5.522
  141    HD1  TYR  22           HD1      TYR  22  -7.312  -1.187  -5.905
  142    HD2  TYR  22           HD2      TYR  22  -6.712   3.008  -5.527
  143    HE1  TYR  22           HE1      TYR  22  -9.644  -0.799  -6.581
  144    HE2  TYR  22           HE2      TYR  22  -9.043   3.408  -6.201
  145    HH   TYR  22           HH       TYR  22 -10.806   2.023  -7.645
  146    H    CYS  23           H        CYS  23  -5.605  -1.461  -2.797
  147    HA   CYS  23           HA       CYS  23  -2.863  -1.923  -1.925
  148   1HB   CYS  23          1HB       CYS  23  -5.117  -2.456  -0.636
  149   2HB   CYS  23          2HB       CYS  23  -5.026  -3.951  -1.561
  150    H    GLY  24           H        GLY  24  -1.686  -3.823  -2.492
  151   1HA   GLY  24          1HA       GLY  24  -2.563  -5.705  -4.402
  152   2HA   GLY  24          2HA       GLY  24  -1.679  -4.427  -5.222
  153    H    SER  25           H        SER  25   0.067  -5.643  -5.835
  154    HA   SER  25           HA       SER  25   2.040  -6.132  -3.791
  155   1HB   SER  25          1HB       SER  25   0.601  -8.236  -3.901
  156   2HB   SER  25          2HB       SER  25   1.253  -8.477  -5.522
  157    HG   SER  25           HG       SER  25   2.337  -9.324  -3.375
  158    H    GLY  26           H        GLY  26   3.875  -7.589  -5.158
  159   1HA   GLY  26          1HA       GLY  26   5.503  -7.432  -6.769
  160   2HA   GLY  26          2HA       GLY  26   4.230  -6.925  -7.869
  161    H    ALA  27           H        ALA  27   6.091  -5.624  -8.709
  162    HA   ALA  27           HA       ALA  27   7.023  -3.404  -7.164
  163   1HB   ALA  27          1HB       ALA  27   8.555  -4.056  -8.763
  164   2HB   ALA  27          2HB       ALA  27   7.815  -2.645  -9.520
  165   3HB   ALA  27          3HB       ALA  27   7.324  -4.267 -10.008
  166    H    ALA  28           H        ALA  28   4.143  -4.000  -8.836
  167    HA   ALA  28           HA       ALA  28   3.614  -1.361  -9.779
  168   1HB   ALA  28          1HB       ALA  28   2.461  -3.832 -10.148
  169   2HB   ALA  28          2HB       ALA  28   1.822  -2.295 -10.727
  170   3HB   ALA  28          3HB       ALA  28   1.255  -2.964  -9.198
  171    H    TYR  29           H        TYR  29   3.002  -3.091  -6.788
  172    HA   TYR  29           HA       TYR  29   1.797  -0.641  -5.679
  173   1HB   TYR  29          1HB       TYR  29   1.345  -3.518  -4.869
  174   2HB   TYR  29          2HB       TYR  29   0.682  -2.124  -4.023
  175    HD1  TYR  29           HD1      TYR  29  -1.360  -1.200  -4.691
  176    HD2  TYR  29           HD2      TYR  29   0.696  -3.828  -7.331
  177    HE1  TYR  29           HE1      TYR  29  -3.312  -1.215  -6.187
  178    HE2  TYR  29           HE2      TYR  29  -1.250  -3.849  -8.834
  179    HH   TYR  29           HH       TYR  29  -4.295  -2.576  -7.919
  180    H    CYS  30           H        CYS  30   4.357  -2.931  -5.412
  181    HA   CYS  30           HA       CYS  30   5.133  -1.804  -2.807
  182   1HB   CYS  30          1HB       CYS  30   6.212  -4.328  -4.062
  183   2HB   CYS  30          2HB       CYS  30   6.404  -3.787  -2.398
  184    H    GLY  31           H        GLY  31   5.883  -1.736  -6.107
  185   1HA   GLY  31          1HA       GLY  31   8.701  -1.477  -6.000
  186   2HA   GLY  31          2HA       GLY  31   7.665  -0.911  -7.301
  187    H    ALA  32           H        ALA  32   9.920   0.491  -6.504
  188    HA   ALA  32           HA       ALA  32   9.397   2.532  -4.624
  189   1HB   ALA  32          1HB       ALA  32  11.629   1.743  -5.748
  190   2HB   ALA  32          2HB       ALA  32  11.433   3.413  -5.217
  191   3HB   ALA  32          3HB       ALA  32  11.238   3.001  -6.920
  192    H    GLY  33           H        GLY  33   8.856   4.721  -4.938
  193   1HA   GLY  33          1HA       GLY  33   7.636   6.449  -5.826
  194   2HA   GLY  33          2HA       GLY  33   8.237   5.919  -7.390
  195    H    ASN  34           H        ASN  34   6.397   3.719  -5.448
  196    HA   ASN  34           HA       ASN  34   3.855   4.382  -6.611
  197   1HB   ASN  34          1HB       ASN  34   5.311   3.022  -8.344
  198   2HB   ASN  34          2HB       ASN  34   4.823   1.651  -7.352
  199   1HD2  ASN  34          1HD2      ASN  34   3.908   1.174  -9.582
  200   2HD2  ASN  34          2HD2      ASN  34   2.279   1.679  -9.859
  201    H    CYS  35           H        CYS  35   4.771   4.140  -3.969
  202    HA   CYS  35           HA       CYS  35   2.852   2.253  -2.956
  203   1HB   CYS  35          1HB       CYS  35   4.465   1.018  -1.541
  204   2HB   CYS  35          2HB       CYS  35   4.732   0.744  -3.259
  205    H    ARG  36           H        ARG  36   1.859   3.288  -1.366
  206    HA   ARG  36           HA       ARG  36   3.066   5.578  -0.102
  207   1HB   ARG  36          1HB       ARG  36   0.641   5.437  -0.723
  208   2HB   ARG  36          2HB       ARG  36   0.434   4.246   0.552
  209   1HG   ARG  36          1HG       ARG  36   0.707   5.795   2.230
  210   2HG   ARG  36          2HG       ARG  36   1.622   6.902   1.204
  211   1HD   ARG  36          1HD       ARG  36  -1.128   6.387   0.316
  212   2HD   ARG  36          2HD       ARG  36  -0.999   7.205   1.872
  213    HE   ARG  36           HE       ARG  36   0.660   8.363  -0.163
  214   1HH1  ARG  36          1HH1      ARG  36  -2.548   8.312   1.209
  215   2HH1  ARG  36          2HH1      ARG  36  -2.947   9.903   0.653
  216   1HH2  ARG  36          1HH2      ARG  36   0.138  10.455  -0.895
  217   2HH2  ARG  36          2HH2      ARG  36  -1.422  11.120  -0.542
  218    H    CYS  37           H        CYS  37   1.692   2.522   1.130
  219    HA   CYS  37           HA       CYS  37   3.577   2.710   3.389
  220   1HB   CYS  37          1HB       CYS  37   0.655   2.117   3.352
  221   2HB   CYS  37          2HB       CYS  37   1.655   1.267   4.525
  222    H    GLN  38           H        GLN  38   3.981   0.566   4.444
  223    HA   GLN  38           HA       GLN  38   4.751  -1.570   4.351
  224   1HB   GLN  38          1HB       GLN  38   2.223  -1.707   3.349
  225   2HB   GLN  38          2HB       GLN  38   3.148  -2.366   2.007
  226   1HG   GLN  38          1HG       GLN  38   3.393  -4.303   3.044
  227   2HG   GLN  38          2HG       GLN  38   4.044  -3.513   4.479
  228   1HE2  GLN  38          1HE2      GLN  38   0.889  -3.745   2.860
  229   2HE2  GLN  38          2HE2      GLN  38  -0.005  -4.128   4.287
  230    H    CYS  39           H        CYS  39   6.315   0.259   3.114
  231    HA   CYS  39           HA       CYS  39   7.391  -1.272   0.849
  232   1HB   CYS  39          1HB       CYS  39   6.232   1.237   0.610
  233   2HB   CYS  39          2HB       CYS  39   7.957   1.582   0.671
  234    H    ARG  40           H        ARG  40   8.055   1.151   3.335
  235    HA   ARG  40           HA       ARG  40  10.911   0.631   3.179
  236   1HB   ARG  40          1HB       ARG  40   9.257   2.546   4.822
  237   2HB   ARG  40          2HB       ARG  40  10.993   2.361   5.034
  238   1HG   ARG  40          1HG       ARG  40  10.278   2.788   2.259
  239   2HG   ARG  40          2HG       ARG  40   9.715   4.093   3.304
  240   1HD   ARG  40          1HD       ARG  40  12.189   3.800   4.276
  241   2HD   ARG  40          2HD       ARG  40  12.470   3.249   2.625
  242    HE   ARG  40           HE       ARG  40  12.260   5.408   1.916
  243   1HH1  ARG  40          1HH1      ARG  40  10.858   5.147   5.101
  244   2HH1  ARG  40          2HH1      ARG  40  10.596   6.851   5.263
  245   1HH2  ARG  40          1HH2      ARG  40  11.917   7.650   2.127
  246   2HH2  ARG  40          2HH2      ARG  40  11.197   8.273   3.574
  247    H    GLY  41           H        GLY  41   8.170  -0.144   5.193
  248   1HA   GLY  41          1HA       GLY  41   8.116  -2.041   6.608
  249   2HA   GLY  41          2HA       GLY  41   9.869  -1.988   6.706
  Start of MODEL    7
    1    HN   PCA   1           HN       PCA   1  -9.254   1.835  -1.392
    2    HA   PCA   1           HA       PCA   1 -10.550   3.833  -2.120
    3   1HB   PCA   1          1HB       PCA   1 -12.770   3.524  -1.743
    4   2HB   PCA   1          2HB       PCA   1 -12.498   3.008  -0.076
    5   1HG   PCA   1          1HG       PCA   1 -12.704   1.396  -2.525
    6   2HG   PCA   1          2HG       PCA   1 -12.904   0.904  -0.834
    7    H    THR   2           H        THR   2  -9.679   2.295   0.885
    8    HA   THR   2           HA       THR   2  -9.020   4.924   1.999
    9    HB   THR   2           HB       THR   2  -9.804   3.942   4.267
   10    HG1  THR   2           HG1      THR   2 -11.556   2.483   4.009
   11   1HG2  THR   2          1HG2      THR   2 -11.081   5.572   2.441
   12   2HG2  THR   2          2HG2      THR   2 -11.534   5.316   4.126
   13   3HG2  THR   2          3HG2      THR   2 -12.289   4.355   2.854
   14    H    CYS   3           H        CYS   3  -7.271   3.119   0.786
   15    HA   CYS   3           HA       CYS   3  -5.977   1.474   2.737
   16   1HB   CYS   3          1HB       CYS   3  -5.904   1.026   0.287
   17   2HB   CYS   3          2HB       CYS   3  -4.904   2.461   0.087
   18    H    ALA   4           H        ALA   4  -5.318   4.649   1.308
   19    HA   ALA   4           HA       ALA   4  -2.857   5.106   2.589
   20   1HB   ALA   4          1HB       ALA   4  -3.087   7.380   1.919
   21   2HB   ALA   4          2HB       ALA   4  -4.837   7.221   1.772
   22   3HB   ALA   4          3HB       ALA   4  -3.777   6.383   0.639
   23    H    SER   5           H        SER   5  -6.176   5.811   3.541
   24    HA   SER   5           HA       SER   5  -5.504   7.273   5.883
   25   1HB   SER   5          1HB       SER   5  -8.088   5.791   5.376
   26   2HB   SER   5          2HB       SER   5  -7.838   7.197   6.409
   27    HG   SER   5           HG       SER   5  -8.295   8.332   4.713
   28    H    ARG   6           H        ARG   6  -5.719   3.897   5.161
   29    HA   ARG   6           HA       ARG   6  -5.761   3.196   8.001
   30   1HB   ARG   6          1HB       ARG   6  -7.115   2.053   6.017
   31   2HB   ARG   6          2HB       ARG   6  -5.634   1.117   5.872
   32   1HG   ARG   6          1HG       ARG   6  -5.980   0.006   7.807
   33   2HG   ARG   6          2HG       ARG   6  -6.754   1.385   8.589
   34   1HD   ARG   6          1HD       ARG   6  -8.274  -0.550   8.147
   35   2HD   ARG   6          2HD       ARG   6  -8.806   0.977   7.446
   36    HE   ARG   6           HE       ARG   6  -7.424  -0.187   5.430
   37   1HH1  ARG   6          1HH1      ARG   6 -10.031  -1.269   7.482
   38   2HH1  ARG   6          2HH1      ARG   6 -10.710  -2.314   6.279
   39   1HH2  ARG   6          1HH2      ARG   6  -8.314  -1.562   3.848
   40   2HH2  ARG   6          2HH2      ARG   6  -9.735  -2.481   4.217
   41    H    CYS   7           H        CYS   7  -3.441   4.415   6.531
   42    HA   CYS   7           HA       CYS   7  -1.447   2.344   6.391
   43   1HB   CYS   7          1HB       CYS   7  -1.425   5.335   6.112
   44   2HB   CYS   7          2HB       CYS   7   0.088   4.448   6.251
   45    HA   PRO   8           HA       PRO   8   0.846   2.722   6.515
   46   1HB   PRO   8          1HB       PRO   8   2.966   1.601   7.661
   47   2HB   PRO   8          2HB       PRO   8   2.711   3.348   7.752
   48   1HG   PRO   8          1HG       PRO   8   2.219   1.250   9.820
   49   2HG   PRO   8          2HG       PRO   8   2.866   2.888  10.016
   50   1HD   PRO   8          1HD       PRO   8   0.222   2.118  10.471
   51   2HD   PRO   8          2HD       PRO   8   0.787   3.783  10.238
   52    H    ARG   9           H        ARG   9  -0.914   0.816   8.556
   53    HA   ARG   9           HA       ARG   9  -0.198  -1.620   7.065
   54   1HB   ARG   9          1HB       ARG   9   0.151  -1.293   9.763
   55   2HB   ARG   9          2HB       ARG   9  -1.435  -2.048   9.696
   56   1HG   ARG   9          1HG       ARG   9  -0.192  -3.928   9.753
   57   2HG   ARG   9          2HG       ARG   9  -0.138  -3.659   8.010
   58   1HD   ARG   9          1HD       ARG   9   2.085  -3.782   8.256
   59   2HD   ARG   9          2HD       ARG   9   1.953  -2.137   8.876
   60    HE   ARG   9           HE       ARG   9   2.430  -2.919  10.979
   61   1HH1  ARG   9          1HH1      ARG   9   1.676  -5.620   8.900
   62   2HH1  ARG   9          2HH1      ARG   9   2.170  -6.809  10.057
   63   1HH2  ARG   9          1HH2      ARG   9   3.081  -4.483  12.501
   64   2HH2  ARG   9          2HH2      ARG   9   2.967  -6.164  12.101
   65    HA   PRO  10           HA       PRO  10  -4.692  -0.659   6.421
   66   1HB   PRO  10          1HB       PRO  10  -4.684  -0.756   3.734
   67   2HB   PRO  10          2HB       PRO  10  -4.200   0.698   4.615
   68   1HG   PRO  10          1HG       PRO  10  -2.492  -1.405   3.345
   69   2HG   PRO  10          2HG       PRO  10  -2.297   0.357   3.330
   70   1HD   PRO  10          1HD       PRO  10  -0.909  -1.309   4.999
   71   2HD   PRO  10          2HD       PRO  10  -1.277   0.384   5.382
   72    H    CYS  11           H        CYS  11  -2.667  -2.957   4.607
   73    HA   CYS  11           HA       CYS  11  -4.836  -4.938   4.838
   74   1HB   CYS  11          1HB       CYS  11  -2.723  -4.544   2.727
   75   2HB   CYS  11          2HB       CYS  11  -3.599  -6.062   2.892
   76    H    ASN  12           H        ASN  12  -3.820  -7.269   4.606
   77    HA   ASN  12           HA       ASN  12  -2.417  -7.785   6.969
   78   1HB   ASN  12          1HB       ASN  12  -3.478  -9.321   4.749
   79   2HB   ASN  12          2HB       ASN  12  -1.945  -9.985   5.305
   80   1HD2  ASN  12          1HD2      ASN  12  -2.592 -11.751   6.366
   81   2HD2  ASN  12          2HD2      ASN  12  -3.670 -11.753   7.716
   82    H    ALA  13           H        ALA  13  -0.382  -9.454   6.611
   83    HA   ALA  13           HA       ALA  13   1.754  -7.696   5.808
   84   1HB   ALA  13          1HB       ALA  13   2.351  -8.841   7.705
   85   2HB   ALA  13          2HB       ALA  13   3.115  -9.839   6.467
   86   3HB   ALA  13          3HB       ALA  13   1.579 -10.336   7.178
   87    H    GLY  14           H        GLY  14   3.275  -8.052   4.185
   88   1HA   GLY  14          1HA       GLY  14   4.222  -9.356   2.411
   89   2HA   GLY  14          2HA       GLY  14   2.700 -10.225   2.287
   90    H    LEU  15           H        LEU  15   1.224  -7.610   2.479
   91    HA   LEU  15           HA       LEU  15   1.572  -6.853  -0.338
   92   1HB   LEU  15          1HB       LEU  15  -0.816  -6.453   1.465
   93   2HB   LEU  15          2HB       LEU  15  -0.736  -6.048  -0.239
   94    HG   LEU  15           HG       LEU  15  -0.087  -8.703  -0.285
   95   1HD1  LEU  15          1HD1      LEU  15  -0.885  -8.440   2.274
   96   2HD1  LEU  15          2HD1      LEU  15  -1.082  -9.916   1.329
   97   3HD1  LEU  15          3HD1      LEU  15  -2.429  -8.790   1.497
   98   1HD2  LEU  15          1HD2      LEU  15  -2.272  -9.045  -1.206
   99   2HD2  LEU  15          2HD2      LEU  15  -1.708  -7.448  -1.698
  100   3HD2  LEU  15          3HD2      LEU  15  -2.891  -7.604  -0.400
  101    H    CYS  16           H        CYS  16   1.390  -4.626  -0.940
  102    HA   CYS  16           HA       CYS  16   2.082  -2.767   1.241
  103   1HB   CYS  16          1HB       CYS  16   3.053  -2.633  -1.621
  104   2HB   CYS  16          2HB       CYS  16   3.525  -1.568  -0.301
  105    H    CYS  17           H        CYS  17   1.325  -0.625   1.076
  106    HA   CYS  17           HA       CYS  17  -1.218  -0.408  -0.288
  107   1HB   CYS  17          1HB       CYS  17  -0.808   0.376   2.079
  108   2HB   CYS  17          2HB       CYS  17   0.158   1.681   1.402
  109    H    SER  18           H        SER  18  -1.304   0.233  -2.332
  110    HA   SER  18           HA       SER  18   0.831   1.736  -3.546
  111   1HB   SER  18          1HB       SER  18  -0.890  -0.087  -4.540
  112   2HB   SER  18          2HB       SER  18  -1.734   1.392  -4.998
  113    HG   SER  18           HG       SER  18  -0.350   0.958  -6.647
  114    H    ILE  19           H        ILE  19   0.860   3.850  -4.105
  115    HA   ILE  19           HA       ILE  19  -0.444   5.773  -2.693
  116    HB   ILE  19           HB       ILE  19   0.103   7.364  -4.521
  117   1HG1  ILE  19          1HG1      ILE  19   1.060   4.873  -5.950
  118   2HG1  ILE  19          2HG1      ILE  19  -0.339   5.838  -6.411
  119   1HG2  ILE  19          1HG2      ILE  19   2.392   5.481  -4.023
  120   2HG2  ILE  19          2HG2      ILE  19   1.733   6.534  -2.771
  121   3HG2  ILE  19          3HG2      ILE  19   2.440   7.232  -4.229
  122   1HD1  ILE  19          1HD1      ILE  19   1.078   6.863  -7.789
  123   2HD1  ILE  19          2HD1      ILE  19   2.496   6.277  -6.921
  124   3HD1  ILE  19          3HD1      ILE  19   1.641   7.709  -6.348
  125    H    TYR  20           H        TYR  20  -1.540   4.257  -5.672
  126    HA   TYR  20           HA       TYR  20  -3.640   5.963  -6.325
  127   1HB   TYR  20          1HB       TYR  20  -3.287   2.995  -6.735
  128   2HB   TYR  20          2HB       TYR  20  -4.666   3.882  -7.378
  129    HD1  TYR  20           HD1      TYR  20  -1.938   2.407  -8.519
  130    HD2  TYR  20           HD2      TYR  20  -3.512   6.356  -8.348
  131    HE1  TYR  20           HE1      TYR  20  -0.613   3.015 -10.499
  132    HE2  TYR  20           HE2      TYR  20  -2.192   6.974 -10.328
  133    HH   TYR  20           HH       TYR  20  -1.099   5.953 -12.206
  134    H    GLY  21           H        GLY  21  -3.335   3.725  -3.723
  135   1HA   GLY  21          1HA       GLY  21  -4.780   3.921  -1.817
  136   2HA   GLY  21          2HA       GLY  21  -6.089   4.361  -2.906
  137    H    TYR  22           H        TYR  22  -3.807   1.671  -3.196
  138    HA   TYR  22           HA       TYR  22  -5.832  -0.254  -2.425
  139   1HB   TYR  22          1HB       TYR  22  -5.017   0.197  -5.261
  140   2HB   TYR  22          2HB       TYR  22  -5.306  -1.456  -4.729
  141    HD1  TYR  22           HD1      TYR  22  -6.847   1.836  -5.285
  142    HD2  TYR  22           HD2      TYR  22  -7.529  -2.229  -4.228
  143    HE1  TYR  22           HE1      TYR  22  -9.262   2.164  -5.608
  144    HE2  TYR  22           HE2      TYR  22  -9.947  -1.912  -4.549
  145    HH   TYR  22           HH       TYR  22 -11.252   0.880  -6.048
  146    H    CYS  23           H        CYS  23  -4.995  -2.226  -1.840
  147    HA   CYS  23           HA       CYS  23  -2.169  -2.300  -1.336
  148   1HB   CYS  23          1HB       CYS  23  -4.253  -4.444  -0.877
  149   2HB   CYS  23          2HB       CYS  23  -2.630  -4.409  -0.196
  150    H    GLY  24           H        GLY  24  -0.954  -4.400  -1.798
  151   1HA   GLY  24          1HA       GLY  24  -1.536  -6.173  -3.817
  152   2HA   GLY  24          2HA       GLY  24  -0.884  -4.761  -4.634
  153    H    SER  25           H        SER  25   0.935  -5.887  -5.363
  154    HA   SER  25           HA       SER  25   3.066  -6.054  -3.405
  155   1HB   SER  25          1HB       SER  25   1.695  -8.380  -3.983
  156   2HB   SER  25          2HB       SER  25   3.072  -8.454  -5.082
  157    HG   SER  25           HG       SER  25   4.342  -7.907  -3.112
  158    H    GLY  26           H        GLY  26   5.014  -7.248  -4.873
  159   1HA   GLY  26          1HA       GLY  26   6.532  -6.872  -6.554
  160   2HA   GLY  26          2HA       GLY  26   5.159  -6.493  -7.583
  161    H    ALA  27           H        ALA  27   6.581  -4.903  -8.552
  162    HA   ALA  27           HA       ALA  27   7.368  -2.625  -6.952
  163   1HB   ALA  27          1HB       ALA  27   8.169  -1.728  -9.155
  164   2HB   ALA  27          2HB       ALA  27   7.615  -3.232  -9.891
  165   3HB   ALA  27          3HB       ALA  27   8.886  -3.264  -8.669
  166    H    ALA  28           H        ALA  28   4.807  -3.494  -9.161
  167    HA   ALA  28           HA       ALA  28   3.841  -0.960  -9.822
  168   1HB   ALA  28          1HB       ALA  28   3.151  -3.378 -10.607
  169   2HB   ALA  28          2HB       ALA  28   2.021  -2.027 -10.706
  170   3HB   ALA  28          3HB       ALA  28   1.908  -3.176  -9.372
  171    H    TYR  29           H        TYR  29   3.337  -2.938  -6.964
  172    HA   TYR  29           HA       TYR  29   1.677  -0.794  -5.813
  173   1HB   TYR  29          1HB       TYR  29   1.859  -3.718  -5.059
  174   2HB   TYR  29          2HB       TYR  29   0.891  -2.520  -4.206
  175    HD1  TYR  29           HD1      TYR  29   1.329  -4.139  -7.524
  176    HD2  TYR  29           HD2      TYR  29  -1.288  -2.034  -4.913
  177    HE1  TYR  29           HE1      TYR  29  -0.539  -4.562  -9.066
  178    HE2  TYR  29           HE2      TYR  29  -3.164  -2.452  -6.446
  179    HH   TYR  29           HH       TYR  29  -2.710  -3.674  -9.616
  180    H    CYS  30           H        CYS  30   4.576  -2.683  -5.432
  181    HA   CYS  30           HA       CYS  30   5.243  -1.086  -3.048
  182   1HB   CYS  30          1HB       CYS  30   4.859  -3.755  -2.951
  183   2HB   CYS  30          2HB       CYS  30   6.568  -3.718  -3.372
  184    H    GLY  31           H        GLY  31   5.841  -0.083  -5.492
  185   1HA   GLY  31          1HA       GLY  31   8.666  -0.759  -5.967
  186   2HA   GLY  31          2HA       GLY  31   7.620   0.085  -7.097
  187    H    ALA  32           H        ALA  32  10.117   1.066  -6.521
  188    HA   ALA  32           HA       ALA  32  10.084   2.999  -4.428
  189   1HB   ALA  32          1HB       ALA  32  12.127   1.958  -5.521
  190   2HB   ALA  32          2HB       ALA  32  12.188   3.696  -5.226
  191   3HB   ALA  32          3HB       ALA  32  11.863   3.089  -6.849
  192    H    GLY  33           H        GLY  33   8.276   4.297  -4.630
  193   1HA   GLY  33          1HA       GLY  33   7.732   6.558  -5.282
  194   2HA   GLY  33          2HA       GLY  33   8.388   6.206  -6.873
  195    H    ASN  34           H        ASN  34   6.477   3.713  -5.528
  196    HA   ASN  34           HA       ASN  34   4.068   4.674  -6.895
  197   1HB   ASN  34          1HB       ASN  34   5.708   2.864  -8.101
  198   2HB   ASN  34          2HB       ASN  34   4.610   1.796  -7.232
  199   1HD2  ASN  34          1HD2      ASN  34   4.077   1.181  -9.471
  200   2HD2  ASN  34          2HD2      ASN  34   2.853   2.081 -10.292
  201    H    CYS  35           H        CYS  35   5.183   3.957  -4.045
  202    HA   CYS  35           HA       CYS  35   2.758   2.503  -3.226
  203   1HB   CYS  35          1HB       CYS  35   4.010   1.335  -1.517
  204   2HB   CYS  35          2HB       CYS  35   4.771   1.053  -3.078
  205    H    ARG  36           H        ARG  36   1.665   3.304  -1.506
  206    HA   ARG  36           HA       ARG  36   2.345   5.962  -0.631
  207   1HB   ARG  36          1HB       ARG  36  -0.016   4.784  -1.056
  208   2HB   ARG  36          2HB       ARG  36   0.138   4.445   0.661
  209   1HG   ARG  36          1HG       ARG  36  -0.267   6.565   1.242
  210   2HG   ARG  36          2HG       ARG  36   0.735   7.215  -0.057
  211   1HD   ARG  36          1HD       ARG  36  -1.667   5.965  -1.082
  212   2HD   ARG  36          2HD       ARG  36  -2.042   7.233   0.084
  213    HE   ARG  36           HE       ARG  36  -0.103   8.009  -1.891
  214   1HH1  ARG  36          1HH1      ARG  36  -3.507   7.772  -1.159
  215   2HH1  ARG  36          2HH1      ARG  36  -3.962   9.007  -2.284
  216   1HH2  ARG  36          1HH2      ARG  36  -0.700   9.634  -3.371
  217   2HH2  ARG  36          2HH2      ARG  36  -2.369  10.064  -3.540
  218    H    CYS  37           H        CYS  37   1.810   2.845   1.023
  219    HA   CYS  37           HA       CYS  37   3.861   3.546   2.960
  220   1HB   CYS  37          1HB       CYS  37   2.447   3.164   4.902
  221   2HB   CYS  37          2HB       CYS  37   1.783   4.470   3.926
  222    H    GLN  38           H        GLN  38   4.205   1.683   4.532
  223    HA   GLN  38           HA       GLN  38   4.730  -0.497   4.904
  224   1HB   GLN  38          1HB       GLN  38   2.086  -0.540   4.208
  225   2HB   GLN  38          2HB       GLN  38   2.777  -1.639   3.022
  226   1HG   GLN  38          1HG       GLN  38   3.960  -2.537   5.275
  227   2HG   GLN  38          2HG       GLN  38   2.426  -1.954   5.919
  228   1HE2  GLN  38          1HE2      GLN  38   0.555  -2.567   4.261
  229   2HE2  GLN  38          2HE2      GLN  38   0.511  -4.249   3.870
  230    H    CYS  39           H        CYS  39   6.305   0.762   3.107
  231    HA   CYS  39           HA       CYS  39   6.628  -1.087   0.851
  232   1HB   CYS  39          1HB       CYS  39   8.159   1.476   1.235
  233   2HB   CYS  39          2HB       CYS  39   7.861   0.592  -0.257
  234    H    ARG  40           H        ARG  40   7.391  -1.649   3.671
  235    HA   ARG  40           HA       ARG  40  10.279  -1.606   3.689
  236   1HB   ARG  40          1HB       ARG  40   8.137  -2.448   5.577
  237   2HB   ARG  40          2HB       ARG  40   9.722  -3.185   5.765
  238   1HG   ARG  40          1HG       ARG  40  10.043  -1.411   7.116
  239   2HG   ARG  40          2HG       ARG  40  10.465  -0.625   5.594
  240   1HD   ARG  40          1HD       ARG  40   8.692   0.734   5.684
  241   2HD   ARG  40          2HD       ARG  40   7.605  -0.576   6.141
  242    HE   ARG  40           HE       ARG  40   9.310   0.278   8.283
  243   1HH1  ARG  40          1HH1      ARG  40   6.323   0.922   6.598
  244   2HH1  ARG  40          2HH1      ARG  40   5.586   1.716   7.949
  245   1HH2  ARG  40          1HH2      ARG  40   8.343   1.322  10.061
  246   2HH2  ARG  40          2HH2      ARG  40   6.733   1.944   9.915
  247    H    GLY  41           H        GLY  41   7.715  -3.891   3.007
  248   1HA   GLY  41          1HA       GLY  41   8.874  -5.542   1.282
  249   2HA   GLY  41          2HA       GLY  41   9.600  -6.105   2.780
  Start of MODEL    8
    1    HN   PCA   1           HN       PCA   1  -8.816   1.675  -1.197
    2    HA   PCA   1           HA       PCA   1 -10.324   3.519  -1.925
    3   1HB   PCA   1          1HB       PCA   1 -12.502   2.921  -1.665
    4   2HB   PCA   1          2HB       PCA   1 -12.238   2.366  -0.009
    5   1HG   PCA   1          1HG       PCA   1 -12.120   0.859  -2.532
    6   2HG   PCA   1          2HG       PCA   1 -12.341   0.266  -0.876
    7    H    THR   2           H        THR   2  -9.088   2.091   0.932
    8    HA   THR   2           HA       THR   2  -8.931   4.698   2.200
    9    HB   THR   2           HB       THR   2 -10.965   3.938   3.169
   10    HG1  THR   2           HG1      THR   2  -9.857   4.749   4.819
   11   1HG2  THR   2          1HG2      THR   2  -9.620   1.317   3.235
   12   2HG2  THR   2          2HG2      THR   2 -11.305   1.728   2.916
   13   3HG2  THR   2          3HG2      THR   2 -10.701   1.703   4.573
   14    H    CYS   3           H        CYS   3  -7.011   2.957   0.969
   15    HA   CYS   3           HA       CYS   3  -5.560   1.456   2.866
   16   1HB   CYS   3          1HB       CYS   3  -5.397   1.454   0.281
   17   2HB   CYS   3          2HB       CYS   3  -4.282   2.799   0.499
   18    H    ALA   4           H        ALA   4  -5.134   4.776   1.667
   19    HA   ALA   4           HA       ALA   4  -2.869   5.366   3.246
   20   1HB   ALA   4          1HB       ALA   4  -2.996   7.488   2.394
   21   2HB   ALA   4          2HB       ALA   4  -4.758   7.525   2.454
   22   3HB   ALA   4          3HB       ALA   4  -3.938   6.609   1.190
   23    H    SER   5           H        SER   5  -6.325   5.698   3.806
   24    HA   SER   5           HA       SER   5  -6.109   7.194   6.210
   25   1HB   SER   5          1HB       SER   5  -8.243   5.916   4.662
   26   2HB   SER   5          2HB       SER   5  -8.522   5.872   6.403
   27    HG   SER   5           HG       SER   5  -8.430   8.034   4.665
   28    H    ARG   6           H        ARG   6  -5.757   3.843   5.466
   29    HA   ARG   6           HA       ARG   6  -5.908   3.143   8.316
   30   1HB   ARG   6          1HB       ARG   6  -6.895   1.856   6.024
   31   2HB   ARG   6          2HB       ARG   6  -5.540   0.876   6.564
   32   1HG   ARG   6          1HG       ARG   6  -7.261   1.685   8.757
   33   2HG   ARG   6          2HG       ARG   6  -8.124   0.773   7.518
   34   1HD   ARG   6          1HD       ARG   6  -7.216  -1.125   8.230
   35   2HD   ARG   6          2HD       ARG   6  -5.594  -0.467   8.019
   36    HE   ARG   6           HE       ARG   6  -5.473  -0.193  10.278
   37   1HH1  ARG   6          1HH1      ARG   6  -8.836  -0.466   9.387
   38   2HH1  ARG   6          2HH1      ARG   6  -9.398  -0.473  11.024
   39   1HH2  ARG   6          1HH2      ARG   6  -6.211  -0.202  12.433
   40   2HH2  ARG   6          2HH2      ARG   6  -7.909  -0.323  12.754
   41    H    CYS   7           H        CYS   7  -3.658   4.536   7.022
   42    HA   CYS   7           HA       CYS   7  -1.523   2.607   6.830
   43   1HB   CYS   7          1HB       CYS   7  -1.787   5.557   6.522
   44   2HB   CYS   7          2HB       CYS   7  -0.194   4.923   6.916
   45    HA   PRO   8           HA       PRO   8   0.719   3.172   7.003
   46   1HB   PRO   8          1HB       PRO   8   2.947   2.274   8.146
   47   2HB   PRO   8          2HB       PRO   8   2.491   3.978   8.268
   48   1HG   PRO   8          1HG       PRO   8   2.276   1.808  10.299
   49   2HG   PRO   8          2HG       PRO   8   2.658   3.523  10.523
   50   1HD   PRO   8          1HD       PRO   8   0.149   2.310  10.900
   51   2HD   PRO   8          2HD       PRO   8   0.469   4.051  10.802
   52    H    ARG   9           H        ARG   9  -1.014   1.089   8.715
   53    HA   ARG   9           HA       ARG   9   0.113  -1.252   7.334
   54   1HB   ARG   9          1HB       ARG   9  -0.685  -2.637   9.270
   55   2HB   ARG   9          2HB       ARG   9   0.663  -1.569   9.636
   56   1HG   ARG   9          1HG       ARG   9  -1.618  -0.076  10.216
   57   2HG   ARG   9          2HG       ARG   9  -1.956  -1.698  10.824
   58   1HD   ARG   9          1HD       ARG   9   0.517  -1.459  11.749
   59   2HD   ARG   9          2HD       ARG   9   0.122   0.257  11.658
   60    HE   ARG   9           HE       ARG   9  -2.002  -0.872  12.952
   61   1HH1  ARG   9          1HH1      ARG   9   1.446  -0.793  13.483
   62   2HH1  ARG   9          2HH1      ARG   9   1.310  -0.909  15.205
   63   1HH2  ARG   9          1HH2      ARG   9  -2.184  -1.023  15.218
   64   2HH2  ARG   9          2HH2      ARG   9  -0.751  -1.040  16.190
   65    HA   PRO  10           HA       PRO  10  -4.424  -0.748   6.419
   66   1HB   PRO  10          1HB       PRO  10  -4.319  -0.005   3.857
   67   2HB   PRO  10          2HB       PRO  10  -4.076   1.166   5.160
   68   1HG   PRO  10          1HG       PRO  10  -2.057  -0.167   3.409
   69   2HG   PRO  10          2HG       PRO  10  -2.104   1.504   3.996
   70   1HD   PRO  10          1HD       PRO  10  -0.584  -0.541   5.103
   71   2HD   PRO  10          2HD       PRO  10  -1.030   0.962   5.929
   72    H    CYS  11           H        CYS  11  -1.947  -1.999   4.182
   73    HA   CYS  11           HA       CYS  11  -3.734  -4.024   3.164
   74   1HB   CYS  11          1HB       CYS  11  -0.764  -3.695   2.696
   75   2HB   CYS  11          2HB       CYS  11  -1.868  -4.692   1.757
   76    H    ASN  12           H        ASN  12  -3.333  -6.299   3.294
   77    HA   ASN  12           HA       ASN  12  -2.648  -7.149   5.930
   78   1HB   ASN  12          1HB       ASN  12  -3.088  -8.917   3.521
   79   2HB   ASN  12          2HB       ASN  12  -3.292  -9.344   5.217
   80   1HD2  ASN  12          1HD2      ASN  12  -4.728  -7.313   6.223
   81   2HD2  ASN  12          2HD2      ASN  12  -6.269  -7.210   5.449
   82    H    ALA  13           H        ALA  13  -1.337  -9.502   5.703
   83    HA   ALA  13           HA       ALA  13   1.374  -8.620   5.252
   84   1HB   ALA  13          1HB       ALA  13   1.179  -9.894   7.185
   85   2HB   ALA  13          2HB       ALA  13   1.853 -11.037   6.023
   86   3HB   ALA  13          3HB       ALA  13   0.134 -11.087   6.412
   87    H    GLY  14           H        GLY  14   2.417  -8.816   3.391
   88   1HA   GLY  14          1HA       GLY  14   3.285 -10.409   1.731
   89   2HA   GLY  14          2HA       GLY  14   1.647 -11.026   1.587
   90    H    LEU  15           H        LEU  15   0.952  -7.948   1.840
   91    HA   LEU  15           HA       LEU  15   1.589  -7.235  -0.931
   92   1HB   LEU  15          1HB       LEU  15  -0.900  -6.205  -0.725
   93   2HB   LEU  15          2HB       LEU  15  -0.530  -7.750  -1.466
   94    HG   LEU  15           HG       LEU  15  -0.986  -7.871   1.432
   95   1HD1  LEU  15          1HD1      LEU  15  -3.371  -7.421  -0.335
   96   2HD1  LEU  15          2HD1      LEU  15  -2.616  -6.115   0.578
   97   3HD1  LEU  15          3HD1      LEU  15  -3.304  -7.500   1.425
   98   1HD2  LEU  15          1HD2      LEU  15  -2.552  -9.459  -0.497
   99   2HD2  LEU  15          2HD2      LEU  15  -1.688  -9.963   0.956
  100   3HD2  LEU  15          3HD2      LEU  15  -0.803  -9.680  -0.543
  101    H    CYS  16           H        CYS  16   1.969  -5.096  -1.308
  102    HA   CYS  16           HA       CYS  16   2.193  -3.403   1.058
  103   1HB   CYS  16          1HB       CYS  16   3.098  -2.625  -1.700
  104   2HB   CYS  16          2HB       CYS  16   3.726  -2.095  -0.144
  105    H    CYS  17           H        CYS  17   1.906  -0.914   0.307
  106    HA   CYS  17           HA       CYS  17  -0.838  -0.747  -0.752
  107   1HB   CYS  17          1HB       CYS  17  -0.635  -0.133   1.632
  108   2HB   CYS  17          2HB       CYS  17   0.535   1.110   1.204
  109    H    SER  18           H        SER  18  -1.079   0.278  -2.623
  110    HA   SER  18           HA       SER  18   1.151   1.701  -3.791
  111   1HB   SER  18          1HB       SER  18  -0.644   1.965  -5.696
  112   2HB   SER  18          2HB       SER  18   0.118   0.402  -5.405
  113    HG   SER  18           HG       SER  18  -2.010  -0.046  -5.455
  114    H    ILE  19           H        ILE  19   1.196   3.829  -4.425
  115    HA   ILE  19           HA       ILE  19   0.261   5.778  -2.773
  116    HB   ILE  19           HB       ILE  19   0.674   7.399  -4.588
  117   1HG1  ILE  19          1HG1      ILE  19   1.532   5.177  -6.389
  118   2HG1  ILE  19          2HG1      ILE  19  -0.180   5.578  -6.320
  119   1HG2  ILE  19          1HG2      ILE  19   2.513   6.530  -3.220
  120   2HG2  ILE  19          2HG2      ILE  19   3.039   6.906  -4.861
  121   3HG2  ILE  19          3HG2      ILE  19   2.760   5.230  -4.387
  122   1HD1  ILE  19          1HD1      ILE  19   0.522   7.970  -6.795
  123   2HD1  ILE  19          2HD1      ILE  19   0.678   6.807  -8.112
  124   3HD1  ILE  19          3HD1      ILE  19   2.104   7.304  -7.201
  125    H    TYR  20           H        TYR  20  -1.479   4.240  -5.365
  126    HA   TYR  20           HA       TYR  20  -3.517   6.234  -5.588
  127   1HB   TYR  20          1HB       TYR  20  -3.102   3.476  -6.652
  128   2HB   TYR  20          2HB       TYR  20  -4.724   4.157  -6.698
  129    HD1  TYR  20           HD1      TYR  20  -5.061   6.372  -7.896
  130    HD2  TYR  20           HD2      TYR  20  -1.499   4.075  -8.262
  131    HE1  TYR  20           HE1      TYR  20  -4.496   7.587  -9.959
  132    HE2  TYR  20           HE2      TYR  20  -0.924   5.284 -10.324
  133    HH   TYR  20           HH       TYR  20  -3.132   7.242 -11.984
  134    H    GLY  21           H        GLY  21  -2.829   4.258  -3.065
  135   1HA   GLY  21          1HA       GLY  21  -4.068   3.914  -1.137
  136   2HA   GLY  21          2HA       GLY  21  -5.481   4.552  -1.966
  137    H    TYR  22           H        TYR  22  -3.417   1.911  -3.057
  138    HA   TYR  22           HA       TYR  22  -5.637   0.041  -2.552
  139   1HB   TYR  22          1HB       TYR  22  -4.307   0.712  -5.104
  140   2HB   TYR  22          2HB       TYR  22  -4.546  -1.007  -4.806
  141    HD1  TYR  22           HD1      TYR  22  -6.507  -1.941  -5.575
  142    HD2  TYR  22           HD2      TYR  22  -6.477   2.188  -4.553
  143    HE1  TYR  22           HE1      TYR  22  -8.844  -1.747  -6.314
  144    HE2  TYR  22           HE2      TYR  22  -8.814   2.394  -5.288
  145    HH   TYR  22           HH       TYR  22 -10.341   0.221  -7.189
  146    H    CYS  23           H        CYS  23  -4.750  -2.309  -3.093
  147    HA   CYS  23           HA       CYS  23  -2.096  -2.574  -1.847
  148   1HB   CYS  23          1HB       CYS  23  -4.554  -4.247  -1.290
  149   2HB   CYS  23          2HB       CYS  23  -2.941  -4.598  -0.678
  150    H    GLY  24           H        GLY  24  -0.974  -4.583  -2.339
  151   1HA   GLY  24          1HA       GLY  24  -1.776  -6.541  -4.109
  152   2HA   GLY  24          2HA       GLY  24  -1.166  -5.233  -5.111
  153    H    SER  25           H        SER  25   0.586  -6.395  -5.883
  154    HA   SER  25           HA       SER  25   2.812  -6.607  -4.008
  155   1HB   SER  25          1HB       SER  25   1.436  -8.872  -4.549
  156   2HB   SER  25          2HB       SER  25   2.590  -8.888  -5.882
  157    HG   SER  25           HG       SER  25   4.137  -9.329  -4.525
  158    H    GLY  26           H        GLY  26   4.676  -7.755  -5.634
  159   1HA   GLY  26          1HA       GLY  26   6.146  -7.295  -7.336
  160   2HA   GLY  26          2HA       GLY  26   4.753  -6.789  -8.280
  161    H    ALA  27           H        ALA  27   6.376  -5.231  -9.119
  162    HA   ALA  27           HA       ALA  27   7.253  -3.111  -7.393
  163   1HB   ALA  27          1HB       ALA  27   7.545  -3.804 -10.250
  164   2HB   ALA  27          2HB       ALA  27   8.750  -3.261  -9.083
  165   3HB   ALA  27          3HB       ALA  27   7.665  -2.094  -9.837
  166    H    ALA  28           H        ALA  28   4.504  -3.707  -9.434
  167    HA   ALA  28           HA       ALA  28   3.624  -1.093  -9.878
  168   1HB   ALA  28          1HB       ALA  28   1.289  -2.398  -9.770
  169   2HB   ALA  28          2HB       ALA  28   2.383  -3.774  -9.907
  170   3HB   ALA  28          3HB       ALA  28   2.394  -2.513 -11.140
  171    H    TYR  29           H        TYR  29   3.216  -3.226  -7.112
  172    HA   TYR  29           HA       TYR  29   1.732  -1.097  -5.724
  173   1HB   TYR  29          1HB       TYR  29   1.891  -4.070  -5.228
  174   2HB   TYR  29          2HB       TYR  29   1.160  -2.946  -4.087
  175    HD1  TYR  29           HD1      TYR  29   0.808  -4.588  -7.339
  176    HD2  TYR  29           HD2      TYR  29  -0.960  -1.862  -4.592
  177    HE1  TYR  29           HE1      TYR  29  -1.319  -4.743  -8.564
  178    HE2  TYR  29           HE2      TYR  29  -3.091  -2.010  -5.809
  179    HH   TYR  29           HH       TYR  29  -3.356  -3.440  -8.888
  180    H    CYS  30           H        CYS  30   4.604  -3.077  -5.631
  181    HA   CYS  30           HA       CYS  30   5.446  -1.685  -3.173
  182   1HB   CYS  30          1HB       CYS  30   6.577  -4.290  -4.194
  183   2HB   CYS  30          2HB       CYS  30   6.807  -3.563  -2.608
  184    H    GLY  31           H        GLY  31   5.682  -0.475  -5.708
  185   1HA   GLY  31          1HA       GLY  31   8.470  -0.807  -6.508
  186   2HA   GLY  31          2HA       GLY  31   7.269   0.193  -7.312
  187    H    ALA  32           H        ALA  32   9.153   1.702  -7.317
  188    HA   ALA  32           HA       ALA  32   9.700   2.983  -4.758
  189   1HB   ALA  32          1HB       ALA  32  10.967   2.970  -7.427
  190   2HB   ALA  32          2HB       ALA  32  11.697   2.941  -5.822
  191   3HB   ALA  32          3HB       ALA  32  11.106   4.461  -6.495
  192    H    GLY  33           H        GLY  33   8.083   3.632  -7.809
  193   1HA   GLY  33          1HA       GLY  33   7.281   6.280  -6.796
  194   2HA   GLY  33          2HA       GLY  33   7.252   5.791  -8.484
  195    H    ASN  34           H        ASN  34   6.090   3.585  -6.081
  196    HA   ASN  34           HA       ASN  34   3.336   4.429  -6.335
  197   1HB   ASN  34          1HB       ASN  34   4.233   1.760  -7.444
  198   2HB   ASN  34          2HB       ASN  34   2.561   2.284  -7.273
  199   1HD2  ASN  34          1HD2      ASN  34   4.872   1.846  -9.459
  200   2HD2  ASN  34          2HD2      ASN  34   4.460   3.064 -10.613
  201    H    CYS  35           H        CYS  35   4.923   4.315  -4.088
  202    HA   CYS  35           HA       CYS  35   3.733   2.051  -2.625
  203   1HB   CYS  35          1HB       CYS  35   6.274   1.968  -2.999
  204   2HB   CYS  35          2HB       CYS  35   6.362   3.307  -1.861
  205    H    ARG  36           H        ARG  36   2.067   3.000  -1.595
  206    HA   ARG  36           HA       ARG  36   2.261   5.651  -0.486
  207   1HB   ARG  36          1HB       ARG  36   0.164   4.512  -1.457
  208   2HB   ARG  36          2HB       ARG  36   0.068   3.670   0.079
  209   1HG   ARG  36          1HG       ARG  36  -1.363   5.694  -0.074
  210   2HG   ARG  36          2HG       ARG  36  -0.223   5.710   1.272
  211   1HD   ARG  36          1HD       ARG  36   0.927   7.461   0.443
  212   2HD   ARG  36          2HD       ARG  36   0.768   6.909  -1.224
  213    HE   ARG  36           HE       ARG  36  -1.724   7.733  -0.656
  214   1HH1  ARG  36          1HH1      ARG  36   1.388   9.253  -0.220
  215   2HH1  ARG  36          2HH1      ARG  36   0.767  10.859  -0.400
  216   1HH2  ARG  36          1HH2      ARG  36  -2.540   9.845  -0.894
  217   2HH2  ARG  36          2HH2      ARG  36  -1.461  11.195  -0.783
  218    H    CYS  37           H        CYS  37   2.009   2.354   0.804
  219    HA   CYS  37           HA       CYS  37   3.396   3.205   3.212
  220   1HB   CYS  37          1HB       CYS  37   0.537   2.348   3.148
  221   2HB   CYS  37          2HB       CYS  37   1.533   1.820   4.501
  222    H    GLN  38           H        GLN  38   3.827   1.272   4.663
  223    HA   GLN  38           HA       GLN  38   4.763  -0.777   4.963
  224   1HB   GLN  38          1HB       GLN  38   2.342  -1.283   3.850
  225   2HB   GLN  38          2HB       GLN  38   3.397  -2.029   2.659
  226   1HG   GLN  38          1HG       GLN  38   4.482  -3.260   4.578
  227   2HG   GLN  38          2HG       GLN  38   3.150  -2.681   5.577
  228   1HE2  GLN  38          1HE2      GLN  38   0.943  -3.137   4.657
  229   2HE2  GLN  38          2HE2      GLN  38   0.699  -4.694   3.949
  230    H    CYS  39           H        CYS  39   6.273   0.976   3.547
  231    HA   CYS  39           HA       CYS  39   7.342  -0.483   1.245
  232   1HB   CYS  39          1HB       CYS  39   8.199   2.235   2.242
  233   2HB   CYS  39          2HB       CYS  39   8.500   1.526   0.659
  234    H    ARG  40           H        ARG  40   8.137   0.486   4.503
  235    HA   ARG  40           HA       ARG  40  10.905  -0.312   4.280
  236   1HB   ARG  40          1HB       ARG  40   9.564   1.403   5.943
  237   2HB   ARG  40          2HB       ARG  40   9.783  -0.001   6.979
  238   1HG   ARG  40          1HG       ARG  40  12.175   0.811   5.487
  239   2HG   ARG  40          2HG       ARG  40  11.593   1.987   6.668
  240   1HD   ARG  40          1HD       ARG  40  11.459  -0.059   8.258
  241   2HD   ARG  40          2HD       ARG  40  12.550  -0.816   7.098
  242    HE   ARG  40           HE       ARG  40  13.753   1.548   7.621
  243   1HH1  ARG  40          1HH1      ARG  40  12.532  -1.007   9.660
  244   2HH1  ARG  40          2HH1      ARG  40  13.687  -0.725  10.919
  245   1HH2  ARG  40          1HH2      ARG  40  15.275   1.920   9.274
  246   2HH2  ARG  40          2HH2      ARG  40  15.245   0.937  10.700
  247    H    GLY  41           H        GLY  41   7.887  -1.687   5.381
  248   1HA   GLY  41          1HA       GLY  41   8.858  -4.334   5.261
  249   2HA   GLY  41          2HA       GLY  41   8.849  -3.802   6.936
  Start of MODEL    9
    1    HN   PCA   1           HN       PCA   1  -8.558   2.742  -1.554
    2    HA   PCA   1           HA       PCA   1  -9.630   4.940  -2.026
    3   1HB   PCA   1          1HB       PCA   1 -11.861   4.682  -2.374
    4   2HB   PCA   1          2HB       PCA   1 -12.060   3.710  -0.912
    5   1HG   PCA   1          1HG       PCA   1 -11.536   2.852  -3.674
    6   2HG   PCA   1          2HG       PCA   1 -12.200   1.927  -2.316
    7    H    THR   2           H        THR   2  -9.447   2.621   0.531
    8    HA   THR   2           HA       THR   2  -9.453   4.813   2.491
    9    HB   THR   2           HB       THR   2 -10.364   2.940   4.089
   10    HG1  THR   2           HG1      THR   2 -10.365   1.254   2.618
   11   1HG2  THR   2          1HG2      THR   2 -12.561   3.690   3.847
   12   2HG2  THR   2          2HG2      THR   2 -12.348   4.033   2.130
   13   3HG2  THR   2          3HG2      THR   2 -11.560   5.050   3.337
   14    H    CYS   3           H        CYS   3  -7.166   3.864   1.268
   15    HA   CYS   3           HA       CYS   3  -5.928   1.905   3.011
   16   1HB   CYS   3          1HB       CYS   3  -5.558   2.255   0.441
   17   2HB   CYS   3          2HB       CYS   3  -4.423   3.494   0.964
   18    H    ALA   4           H        ALA   4  -5.437   5.328   2.177
   19    HA   ALA   4           HA       ALA   4  -3.317   5.839   3.918
   20   1HB   ALA   4          1HB       ALA   4  -4.591   7.295   2.061
   21   2HB   ALA   4          2HB       ALA   4  -3.520   7.996   3.274
   22   3HB   ALA   4          3HB       ALA   4  -5.266   8.020   3.520
   23    H    SER   5           H        SER   5  -6.780   5.773   4.479
   24    HA   SER   5           HA       SER   5  -6.726   6.965   7.052
   25   1HB   SER   5          1HB       SER   5  -8.709   6.276   5.309
   26   2HB   SER   5          2HB       SER   5  -8.877   5.016   6.531
   27    HG   SER   5           HG       SER   5  -9.049   7.818   6.851
   28    H    ARG   6           H        ARG   6  -6.145   3.742   5.888
   29    HA   ARG   6           HA       ARG   6  -6.054   2.739   8.650
   30   1HB   ARG   6          1HB       ARG   6  -7.054   1.624   6.225
   31   2HB   ARG   6          2HB       ARG   6  -5.701   0.636   6.757
   32   1HG   ARG   6          1HG       ARG   6  -7.037   0.937   9.085
   33   2HG   ARG   6          2HG       ARG   6  -8.371   0.981   7.931
   34   1HD   ARG   6          1HD       ARG   6  -6.769  -1.108   7.051
   35   2HD   ARG   6          2HD       ARG   6  -6.745  -1.254   8.808
   36    HE   ARG   6           HE       ARG   6  -8.916  -1.858   7.086
   37   1HH1  ARG   6          1HH1      ARG   6  -8.178  -0.541  10.233
   38   2HH1  ARG   6          2HH1      ARG   6  -9.698  -1.003  10.921
   39   1HH2  ARG   6          1HH2      ARG   6 -10.915  -2.466   7.989
   40   2HH2  ARG   6          2HH2      ARG   6 -11.252  -2.097   9.647
   41    H    CYS   7           H        CYS   7  -3.986   4.391   7.378
   42    HA   CYS   7           HA       CYS   7  -1.770   2.552   6.952
   43   1HB   CYS   7          1HB       CYS   7  -2.236   5.464   6.546
   44   2HB   CYS   7          2HB       CYS   7  -0.580   4.945   6.840
   45    HA   PRO   8           HA       PRO   8   0.459   3.273   6.922
   46   1HB   PRO   8          1HB       PRO   8   2.796   2.484   7.916
   47   2HB   PRO   8          2HB       PRO   8   2.287   4.173   8.036
   48   1HG   PRO   8          1HG       PRO   8   2.267   2.034  10.118
   49   2HG   PRO   8          2HG       PRO   8   2.656   3.755  10.281
   50   1HD   PRO   8          1HD       PRO   8   0.202   2.566  10.899
   51   2HD   PRO   8          2HD       PRO   8   0.483   4.301  10.662
   52    H    ARG   9           H        ARG   9  -0.862   1.126   9.048
   53    HA   ARG   9           HA       ARG   9   0.177  -1.190   7.552
   54   1HB   ARG   9          1HB       ARG   9   0.833  -1.125   9.971
   55   2HB   ARG   9          2HB       ARG   9  -0.873  -1.222  10.385
   56   1HG   ARG   9          1HG       ARG   9  -0.703  -3.347   8.772
   57   2HG   ARG   9          2HG       ARG   9   0.957  -3.302   9.369
   58   1HD   ARG   9          1HD       ARG   9  -1.127  -2.948  11.414
   59   2HD   ARG   9          2HD       ARG   9  -1.095  -4.532  10.640
   60    HE   ARG   9           HE       ARG   9   1.504  -4.061  11.296
   61   1HH1  ARG   9          1HH1      ARG   9  -1.494  -4.087  13.081
   62   2HH1  ARG   9          2HH1      ARG   9  -0.752  -4.585  14.564
   63   1HH2  ARG   9          1HH2      ARG   9   2.482  -4.718  13.245
   64   2HH2  ARG   9          2HH2      ARG   9   1.506  -4.943  14.658
   65    HA   PRO  10           HA       PRO  10  -4.435  -0.854   6.937
   66   1HB   PRO  10          1HB       PRO  10  -4.461  -0.640   4.260
   67   2HB   PRO  10          2HB       PRO  10  -4.207   0.765   5.303
   68   1HG   PRO  10          1HG       PRO  10  -2.198  -0.868   3.801
   69   2HG   PRO  10          2HG       PRO  10  -2.297   0.892   3.983
   70   1HD   PRO  10          1HD       PRO  10  -0.624  -0.698   5.457
   71   2HD   PRO  10          2HD       PRO  10  -1.254   0.861   6.023
   72    H    CYS  11           H        CYS  11  -2.083  -2.552   4.869
   73    HA   CYS  11           HA       CYS  11  -3.925  -4.839   4.744
   74   1HB   CYS  11          1HB       CYS  11  -1.676  -3.935   2.962
   75   2HB   CYS  11          2HB       CYS  11  -2.292  -5.582   2.891
   76    H    ASN  12           H        ASN  12  -2.712  -7.004   4.556
   77    HA   ASN  12           HA       ASN  12  -1.163  -7.309   6.960
   78   1HB   ASN  12          1HB       ASN  12  -2.769  -8.984   5.296
   79   2HB   ASN  12          2HB       ASN  12  -1.175  -9.720   5.441
   80   1HD2  ASN  12          1HD2      ASN  12  -2.349 -11.396   6.581
   81   2HD2  ASN  12          2HD2      ASN  12  -2.676 -11.199   8.266
   82    H    ALA  13           H        ALA  13   0.610  -9.290   6.437
   83    HA   ALA  13           HA       ALA  13   2.754  -7.834   5.180
   84   1HB   ALA  13          1HB       ALA  13   3.890 -10.191   5.758
   85   2HB   ALA  13          2HB       ALA  13   2.510 -10.257   6.854
   86   3HB   ALA  13          3HB       ALA  13   3.651  -8.917   6.953
   87    H    GLY  14           H        GLY  14   3.639  -8.162   3.220
   88   1HA   GLY  14          1HA       GLY  14   4.243  -9.753   1.450
   89   2HA   GLY  14          2HA       GLY  14   2.645 -10.457   1.647
   90    H    LEU  15           H        LEU  15   1.453  -7.731   1.928
   91    HA   LEU  15           HA       LEU  15   1.529  -7.001  -0.926
   92   1HB   LEU  15          1HB       LEU  15  -0.783  -6.458   0.915
   93   2HB   LEU  15          2HB       LEU  15  -0.762  -6.449  -0.838
   94    HG   LEU  15           HG       LEU  15  -0.083  -9.038  -0.322
   95   1HD1  LEU  15          1HD1      LEU  15  -2.051  -9.579   1.364
   96   2HD1  LEU  15          2HD1      LEU  15  -1.615  -7.990   1.991
   97   3HD1  LEU  15          3HD1      LEU  15  -0.406  -9.271   1.917
   98   1HD2  LEU  15          1HD2      LEU  15  -2.319  -9.588  -1.015
   99   2HD2  LEU  15          2HD2      LEU  15  -1.783  -8.160  -1.900
  100   3HD2  LEU  15          3HD2      LEU  15  -2.901  -7.990  -0.546
  101    H    CYS  16           H        CYS  16   1.498  -4.817  -1.495
  102    HA   CYS  16           HA       CYS  16   2.085  -2.949   0.709
  103   1HB   CYS  16          1HB       CYS  16   3.150  -2.579  -2.078
  104   2HB   CYS  16          2HB       CYS  16   3.735  -1.880  -0.573
  105    H    CYS  17           H        CYS  17   1.250  -0.867   0.581
  106    HA   CYS  17           HA       CYS  17  -1.141  -0.626  -1.036
  107   1HB   CYS  17          1HB       CYS  17  -1.150   0.030   1.350
  108   2HB   CYS  17          2HB       CYS  17   0.028   1.288   0.995
  109    H    SER  18           H        SER  18  -1.140   0.261  -2.985
  110    HA   SER  18           HA       SER  18   1.140   1.704  -3.969
  111   1HB   SER  18          1HB       SER  18   0.073   0.278  -5.543
  112   2HB   SER  18          2HB       SER  18  -1.517   0.954  -5.189
  113    HG   SER  18           HG       SER  18   0.637   2.165  -6.568
  114    H    ILE  19           H        ILE  19   1.263   3.840  -4.587
  115    HA   ILE  19           HA       ILE  19   0.216   5.788  -3.001
  116    HB   ILE  19           HB       ILE  19   0.794   7.418  -4.760
  117   1HG1  ILE  19          1HG1      ILE  19   1.889   5.354  -6.556
  118   2HG1  ILE  19          2HG1      ILE  19   0.131   5.443  -6.526
  119   1HG2  ILE  19          1HG2      ILE  19   3.210   6.280  -5.121
  120   2HG2  ILE  19          2HG2      ILE  19   2.594   5.299  -3.791
  121   3HG2  ILE  19          3HG2      ILE  19   2.701   7.050  -3.618
  122   1HD1  ILE  19          1HD1      ILE  19   1.844   7.867  -6.946
  123   2HD1  ILE  19          2HD1      ILE  19   0.127   7.658  -7.290
  124   3HD1  ILE  19          3HD1      ILE  19   1.330   6.825  -8.274
  125    H    TYR  20           H        TYR  20  -1.345   4.261  -5.705
  126    HA   TYR  20           HA       TYR  20  -3.365   6.298  -5.990
  127   1HB   TYR  20          1HB       TYR  20  -2.417   4.225  -7.589
  128   2HB   TYR  20          2HB       TYR  20  -4.045   3.718  -7.148
  129    HD1  TYR  20           HD1      TYR  20  -5.843   5.708  -7.338
  130    HD2  TYR  20           HD2      TYR  20  -2.193   5.471  -9.511
  131    HE1  TYR  20           HE1      TYR  20  -6.775   7.201  -9.055
  132    HE2  TYR  20           HE2      TYR  20  -3.115   6.964 -11.234
  133    HH   TYR  20           HH       TYR  20  -5.024   8.831 -11.222
  134    H    GLY  21           H        GLY  21  -2.884   4.394  -3.485
  135   1HA   GLY  21          1HA       GLY  21  -4.267   3.775  -1.753
  136   2HA   GLY  21          2HA       GLY  21  -5.616   4.447  -2.657
  137    H    TYR  22           H        TYR  22  -3.360   1.842  -3.514
  138    HA   TYR  22           HA       TYR  22  -5.520  -0.110  -3.276
  139   1HB   TYR  22          1HB       TYR  22  -4.059   0.467  -5.857
  140   2HB   TYR  22          2HB       TYR  22  -5.025  -0.978  -5.580
  141    HD1  TYR  22           HD1      TYR  22  -7.451  -0.236  -4.437
  142    HD2  TYR  22           HD2      TYR  22  -5.112   2.020  -7.183
  143    HE1  TYR  22           HE1      TYR  22  -9.469   0.972  -5.155
  144    HE2  TYR  22           HE2      TYR  22  -7.123   3.235  -7.907
  145    HH   TYR  22           HH       TYR  22  -9.538   2.945  -7.935
  146    H    CYS  23           H        CYS  23  -4.763  -1.850  -2.288
  147    HA   CYS  23           HA       CYS  23  -1.964  -2.238  -1.866
  148   1HB   CYS  23          1HB       CYS  23  -4.475  -3.538  -0.983
  149   2HB   CYS  23          2HB       CYS  23  -3.041  -4.559  -0.999
  150    H    GLY  24           H        GLY  24  -1.003  -4.499  -2.218
  151   1HA   GLY  24          1HA       GLY  24  -1.728  -6.369  -4.024
  152   2HA   GLY  24          2HA       GLY  24  -1.180  -5.054  -5.052
  153    H    SER  25           H        SER  25   0.519  -6.338  -5.857
  154    HA   SER  25           HA       SER  25   2.853  -6.373  -4.106
  155   1HB   SER  25          1HB       SER  25   3.412  -8.654  -4.530
  156   2HB   SER  25          2HB       SER  25   1.723  -8.644  -4.021
  157    HG   SER  25           HG       SER  25   1.236  -9.495  -5.867
  158    H    GLY  26           H        GLY  26   4.638  -7.632  -5.739
  159   1HA   GLY  26          1HA       GLY  26   5.942  -7.371  -7.616
  160   2HA   GLY  26          2HA       GLY  26   4.509  -6.793  -8.453
  161    H    ALA  27           H        ALA  27   6.283  -5.415  -9.425
  162    HA   ALA  27           HA       ALA  27   7.332  -3.284  -7.813
  163   1HB   ALA  27          1HB       ALA  27   7.839  -2.397 -10.256
  164   2HB   ALA  27          2HB       ALA  27   7.494  -4.077 -10.668
  165   3HB   ALA  27          3HB       ALA  27   8.779  -3.696  -9.522
  166    H    ALA  28           H        ALA  28   4.382  -3.831  -9.439
  167    HA   ALA  28           HA       ALA  28   3.763  -1.100 -10.035
  168   1HB   ALA  28          1HB       ALA  28   2.497  -2.394 -11.390
  169   2HB   ALA  28          2HB       ALA  28   1.352  -2.262 -10.055
  170   3HB   ALA  28          3HB       ALA  28   2.367  -3.697 -10.209
  171    H    TYR  29           H        TYR  29   3.202  -3.273  -7.336
  172    HA   TYR  29           HA       TYR  29   1.741  -1.132  -5.944
  173   1HB   TYR  29          1HB       TYR  29   1.795  -4.119  -5.520
  174   2HB   TYR  29          2HB       TYR  29   1.076  -3.004  -4.363
  175    HD1  TYR  29           HD1      TYR  29  -0.802  -1.477  -5.207
  176    HD2  TYR  29           HD2      TYR  29   0.550  -4.898  -7.343
  177    HE1  TYR  29           HE1      TYR  29  -2.909  -1.511  -6.474
  178    HE2  TYR  29           HE2      TYR  29  -1.553  -4.942  -8.617
  179    HH   TYR  29           HH       TYR  29  -4.279  -3.242  -7.723
  180    H    CYS  30           H        CYS  30   4.505  -3.280  -5.748
  181    HA   CYS  30           HA       CYS  30   5.313  -1.971  -3.238
  182   1HB   CYS  30          1HB       CYS  30   6.325  -4.564  -4.425
  183   2HB   CYS  30          2HB       CYS  30   6.797  -3.882  -2.873
  184    H    GLY  31           H        GLY  31   5.606  -0.863  -5.960
  185   1HA   GLY  31          1HA       GLY  31   8.405  -1.071  -6.622
  186   2HA   GLY  31          2HA       GLY  31   7.230  -0.002  -7.373
  187    H    ALA  32           H        ALA  32   9.347   1.313  -7.182
  188    HA   ALA  32           HA       ALA  32   9.711   2.516  -4.557
  189   1HB   ALA  32          1HB       ALA  32  11.612   1.889  -6.134
  190   2HB   ALA  32          2HB       ALA  32  11.673   3.491  -5.399
  191   3HB   ALA  32          3HB       ALA  32  11.147   3.309  -7.072
  192    H    GLY  33           H        GLY  33   8.391   3.295  -7.708
  193   1HA   GLY  33          1HA       GLY  33   7.780   6.022  -6.783
  194   2HA   GLY  33          2HA       GLY  33   7.763   5.487  -8.456
  195    H    ASN  34           H        ASN  34   6.322   3.387  -6.144
  196    HA   ASN  34           HA       ASN  34   3.668   4.508  -6.436
  197   1HB   ASN  34          1HB       ASN  34   4.214   1.722  -7.477
  198   2HB   ASN  34          2HB       ASN  34   2.686   2.597  -7.525
  199   1HD2  ASN  34          1HD2      ASN  34   5.287   1.688  -9.301
  200   2HD2  ASN  34          2HD2      ASN  34   5.213   2.875 -10.554
  201    H    CYS  35           H        CYS  35   5.055   4.296  -4.137
  202    HA   CYS  35           HA       CYS  35   3.721   2.064  -2.754
  203   1HB   CYS  35          1HB       CYS  35   6.119   1.620  -2.866
  204   2HB   CYS  35          2HB       CYS  35   6.464   3.203  -2.179
  205    H    ARG  36           H        ARG  36   2.043   3.057  -1.789
  206    HA   ARG  36           HA       ARG  36   2.279   5.702  -0.667
  207   1HB   ARG  36          1HB       ARG  36   0.186   4.343  -1.681
  208   2HB   ARG  36          2HB       ARG  36  -0.052   4.007   0.028
  209   1HG   ARG  36          1HG       ARG  36  -0.027   6.427   0.482
  210   2HG   ARG  36          2HG       ARG  36   0.128   6.727  -1.250
  211   1HD   ARG  36          1HD       ARG  36  -2.005   5.278  -1.448
  212   2HD   ARG  36          2HD       ARG  36  -2.191   5.600   0.275
  213    HE   ARG  36           HE       ARG  36  -1.757   7.993  -1.210
  214   1HH1  ARG  36          1HH1      ARG  36  -4.188   5.639  -0.357
  215   2HH1  ARG  36          2HH1      ARG  36  -5.506   6.746  -0.547
  216   1HH2  ARG  36          1HH2      ARG  36  -3.489   9.450  -1.460
  217   2HH2  ARG  36          2HH2      ARG  36  -5.110   8.910  -1.174
  218    H    CYS  37           H        CYS  37   1.576   2.479   0.686
  219    HA   CYS  37           HA       CYS  37   2.927   3.294   3.156
  220   1HB   CYS  37          1HB       CYS  37   0.088   2.464   2.857
  221   2HB   CYS  37          2HB       CYS  37   0.965   1.833   4.246
  222    H    GLN  38           H        GLN  38   3.213   1.328   4.635
  223    HA   GLN  38           HA       GLN  38   4.121  -0.724   4.995
  224   1HB   GLN  38          1HB       GLN  38   1.863  -1.213   3.553
  225   2HB   GLN  38          2HB       GLN  38   3.082  -1.948   2.520
  226   1HG   GLN  38          1HG       GLN  38   2.967  -3.749   3.795
  227   2HG   GLN  38          2HG       GLN  38   3.708  -2.810   5.091
  228   1HE2  GLN  38          1HE2      GLN  38   0.599  -3.640   3.642
  229   2HE2  GLN  38          2HE2      GLN  38  -0.314  -3.537   5.105
  230    H    CYS  39           H        CYS  39   5.791   1.064   3.848
  231    HA   CYS  39           HA       CYS  39   7.152  -0.344   1.665
  232   1HB   CYS  39          1HB       CYS  39   6.694   2.399   2.224
  233   2HB   CYS  39          2HB       CYS  39   8.430   2.130   2.346
  234    H    ARG  40           H        ARG  40   7.189  -1.146   4.540
  235    HA   ARG  40           HA       ARG  40  10.076  -1.440   4.748
  236   1HB   ARG  40          1HB       ARG  40  10.062  -0.817   7.152
  237   2HB   ARG  40          2HB       ARG  40   9.706   0.534   6.085
  238   1HG   ARG  40          1HG       ARG  40   7.244   0.002   6.541
  239   2HG   ARG  40          2HG       ARG  40   7.845  -0.976   7.882
  240   1HD   ARG  40          1HD       ARG  40   9.174   1.156   8.514
  241   2HD   ARG  40          2HD       ARG  40   8.019   1.984   7.470
  242    HE   ARG  40           HE       ARG  40   6.779   0.287   9.426
  243   1HH1  ARG  40          1HH1      ARG  40   8.108   3.459   8.835
  244   2HH1  ARG  40          2HH1      ARG  40   7.179   4.218  10.084
  245   1HH2  ARG  40          1HH2      ARG  40   5.556   1.283  11.069
  246   2HH2  ARG  40          2HH2      ARG  40   5.730   2.982  11.352
  247    H    GLY  41           H        GLY  41   7.827  -3.193   4.127
  248   1HA   GLY  41          1HA       GLY  41   8.480  -5.303   6.009
  249   2HA   GLY  41          2HA       GLY  41   6.794  -4.809   6.006
  Start of MODEL   10
    1    HN   PCA   1           HN       PCA   1  -8.413   1.627  -1.719
    2    HA   PCA   1           HA       PCA   1  -8.758   3.502  -3.193
    3   1HB   PCA   1          1HB       PCA   1 -10.981   3.369  -3.630
    4   2HB   PCA   1          2HB       PCA   1 -11.205   4.356  -2.182
    5   1HG   PCA   1          1HG       PCA   1 -12.110   1.750  -2.507
    6   2HG   PCA   1          2HG       PCA   1 -11.895   2.576  -0.953
    7    H    THR   2           H        THR   2  -9.321   3.136   0.245
    8    HA   THR   2           HA       THR   2  -7.962   5.684   0.705
    9    HB   THR   2           HB       THR   2  -9.701   5.963   2.660
   10    HG1  THR   2           HG1      THR   2 -11.197   4.512   0.738
   11   1HG2  THR   2          1HG2      THR   2  -9.375   7.347   0.455
   12   2HG2  THR   2          2HG2      THR   2 -10.790   7.576   1.482
   13   3HG2  THR   2          3HG2      THR   2 -10.908   6.591   0.024
   14    H    CYS   3           H        CYS   3  -6.798   3.220   0.913
   15    HA   CYS   3           HA       CYS   3  -6.938   2.245   3.617
   16   1HB   CYS   3          1HB       CYS   3  -5.287   0.642   2.952
   17   2HB   CYS   3          2HB       CYS   3  -6.444   0.794   1.637
   18    H    ALA   4           H        ALA   4  -5.148   4.664   1.949
   19    HA   ALA   4           HA       ALA   4  -2.758   4.753   3.343
   20   1HB   ALA   4          1HB       ALA   4  -4.040   7.352   2.755
   21   2HB   ALA   4          2HB       ALA   4  -3.814   6.248   1.399
   22   3HB   ALA   4          3HB       ALA   4  -2.426   6.764   2.356
   23    H    SER   5           H        SER   5  -5.952   5.600   4.408
   24    HA   SER   5           HA       SER   5  -5.142   7.202   6.632
   25   1HB   SER   5          1HB       SER   5  -7.462   7.158   7.287
   26   2HB   SER   5          2HB       SER   5  -7.392   7.334   5.533
   27    HG   SER   5           HG       SER   5  -8.779   5.587   6.760
   28    H    ARG   6           H        ARG   6  -5.143   3.852   6.056
   29    HA   ARG   6           HA       ARG   6  -5.365   3.183   8.891
   30   1HB   ARG   6          1HB       ARG   6  -5.348   1.568   6.362
   31   2HB   ARG   6          2HB       ARG   6  -5.051   0.799   7.916
   32   1HG   ARG   6          1HG       ARG   6  -7.223   0.696   8.310
   33   2HG   ARG   6          2HG       ARG   6  -7.359   2.448   8.151
   34   1HD   ARG   6          1HD       ARG   6  -8.850   1.451   6.574
   35   2HD   ARG   6          2HD       ARG   6  -7.495   2.136   5.678
   36    HE   ARG   6           HE       ARG   6  -6.748  -0.435   6.056
   37   1HH1  ARG   6          1HH1      ARG   6  -9.638   1.045   4.778
   38   2HH1  ARG   6          2HH1      ARG   6  -9.985  -0.267   3.702
   39   1HH2  ARG   6          1HH2      ARG   6  -7.201  -2.161   4.640
   40   2HH2  ARG   6          2HH2      ARG   6  -8.601  -2.087   3.624
   41    H    CYS   7           H        CYS   7  -2.980   4.432   7.204
   42    HA   CYS   7           HA       CYS   7  -0.807   2.680   7.373
   43   1HB   CYS   7          1HB       CYS   7  -1.207   5.285   6.532
   44   2HB   CYS   7          2HB       CYS   7  -0.137   5.481   7.915
   45    HA   PRO   8           HA       PRO   8   1.127   2.445   7.803
   46   1HB   PRO   8          1HB       PRO   8   3.059   1.249   9.179
   47   2HB   PRO   8          2HB       PRO   8   2.966   3.013   9.105
   48   1HG   PRO   8          1HG       PRO   8   2.285   1.177  11.335
   49   2HG   PRO   8          2HG       PRO   8   2.881   2.843  11.391
   50   1HD   PRO   8          1HD       PRO   8   0.178   1.948  11.632
   51   2HD   PRO   8          2HD       PRO   8   0.765   3.622  11.589
   52    H    ARG   9           H        ARG   9  -1.222   1.039   9.200
   53    HA   ARG   9           HA       ARG   9  -0.402  -1.687   8.455
   54   1HB   ARG   9          1HB       ARG   9  -1.716  -0.745  10.958
   55   2HB   ARG   9          2HB       ARG   9  -2.211  -2.299  10.302
   56   1HG   ARG   9          1HG       ARG   9   0.525  -2.455  10.213
   57   2HG   ARG   9          2HG       ARG   9   0.230  -1.545  11.696
   58   1HD   ARG   9          1HD       ARG   9  -0.816  -4.269  10.955
   59   2HD   ARG   9          2HD       ARG   9   0.270  -3.851  12.279
   60    HE   ARG   9           HE       ARG   9  -2.596  -3.651  12.257
   61   1HH1  ARG   9          1HH1      ARG   9   0.342  -2.443  13.702
   62   2HH1  ARG   9          2HH1      ARG   9  -0.436  -1.942  15.166
   63   1HH2  ARG   9          1HH2      ARG   9  -3.621  -2.992  14.182
   64   2HH2  ARG   9          2HH2      ARG   9  -2.686  -2.254  15.439
   65    HA   PRO  10           HA       PRO  10  -4.471  -0.432   6.494
   66   1HB   PRO  10          1HB       PRO  10  -3.729   0.302   4.044
   67   2HB   PRO  10          2HB       PRO  10  -3.602   1.420   5.406
   68   1HG   PRO  10          1HG       PRO  10  -1.468  -0.189   4.072
   69   2HG   PRO  10          2HG       PRO  10  -1.406   1.477   4.673
   70   1HD   PRO  10          1HD       PRO  10  -0.445  -0.749   6.029
   71   2HD   PRO  10          2HD       PRO  10  -0.852   0.809   6.773
   72    H    CYS  11           H        CYS  11  -1.751  -2.007   4.809
   73    HA   CYS  11           HA       CYS  11  -3.627  -3.916   3.618
   74   1HB   CYS  11          1HB       CYS  11  -1.681  -2.587   2.386
   75   2HB   CYS  11          2HB       CYS  11  -0.719  -3.944   2.962
   76    H    ASN  12           H        ASN  12  -2.697  -6.202   3.396
   77    HA   ASN  12           HA       ASN  12  -2.136  -7.155   6.061
   78   1HB   ASN  12          1HB       ASN  12  -3.012  -8.336   3.495
   79   2HB   ASN  12          2HB       ASN  12  -2.051  -9.391   4.526
   80   1HD2  ASN  12          1HD2      ASN  12  -2.832  -9.927   6.589
   81   2HD2  ASN  12          2HD2      ASN  12  -4.510  -9.793   6.977
   82    H    ALA  13           H        ALA  13  -0.573  -9.295   5.851
   83    HA   ALA  13           HA       ALA  13   2.041  -8.145   5.483
   84   1HB   ALA  13          1HB       ALA  13   2.084  -9.481   7.330
   85   2HB   ALA  13          2HB       ALA  13   2.646 -10.640   6.125
   86   3HB   ALA  13          3HB       ALA  13   0.961 -10.656   6.645
   87    H    GLY  14           H        GLY  14   3.356  -8.371   3.784
   88   1HA   GLY  14          1HA       GLY  14   4.358  -9.676   2.043
   89   2HA   GLY  14          2HA       GLY  14   2.847 -10.558   1.884
   90    H    LEU  15           H        LEU  15   1.405  -7.880   2.047
   91    HA   LEU  15           HA       LEU  15   1.891  -7.094  -0.752
   92   1HB   LEU  15          1HB       LEU  15  -0.673  -7.068   0.840
   93   2HB   LEU  15          2HB       LEU  15  -0.502  -6.393  -0.770
   94    HG   LEU  15           HG       LEU  15   0.424  -8.979  -1.079
   95   1HD1  LEU  15          1HD1      LEU  15  -1.427 -10.355  -0.129
   96   2HD1  LEU  15          2HD1      LEU  15  -1.900  -8.956   0.835
   97   3HD1  LEU  15          3HD1      LEU  15  -0.317  -9.697   1.073
   98   1HD2  LEU  15          1HD2      LEU  15  -1.303  -7.392  -2.329
   99   2HD2  LEU  15          2HD2      LEU  15  -2.459  -8.455  -1.527
  100   3HD2  LEU  15          3HD2      LEU  15  -1.246  -9.132  -2.614
  101    H    CYS  16           H        CYS  16   1.168  -4.826  -1.251
  102    HA   CYS  16           HA       CYS  16   1.602  -3.005   1.014
  103   1HB   CYS  16          1HB       CYS  16   2.812  -2.493  -1.697
  104   2HB   CYS  16          2HB       CYS  16   3.173  -1.691  -0.174
  105    H    CYS  17           H        CYS  17   0.744  -0.865   0.711
  106    HA   CYS  17           HA       CYS  17  -1.628  -0.890  -0.988
  107   1HB   CYS  17          1HB       CYS  17  -0.921   0.289   1.555
  108   2HB   CYS  17          2HB       CYS  17  -1.554   1.516   0.462
  109    H    SER  18           H        SER  18  -1.177  -0.305  -3.027
  110    HA   SER  18           HA       SER  18   0.867   1.417  -3.847
  111   1HB   SER  18          1HB       SER  18  -0.858  -0.227  -5.144
  112   2HB   SER  18          2HB       SER  18  -1.552   1.343  -5.550
  113    HG   SER  18           HG       SER  18   0.678   1.922  -6.165
  114    H    ILE  19           H        ILE  19   0.979   3.564  -4.291
  115    HA   ILE  19           HA       ILE  19  -0.313   5.418  -2.780
  116    HB   ILE  19           HB       ILE  19   0.335   7.116  -4.505
  117   1HG1  ILE  19          1HG1      ILE  19   2.012   5.748  -6.191
  118   2HG1  ILE  19          2HG1      ILE  19   0.640   4.649  -6.078
  119   1HG2  ILE  19          1HG2      ILE  19   1.968   6.800  -2.911
  120   2HG2  ILE  19          2HG2      ILE  19   2.843   6.410  -4.391
  121   3HG2  ILE  19          3HG2      ILE  19   2.232   5.115  -3.362
  122   1HD1  ILE  19          1HD1      ILE  19   0.744   6.519  -7.908
  123   2HD1  ILE  19          2HD1      ILE  19   0.117   7.525  -6.603
  124   3HD1  ILE  19          3HD1      ILE  19  -0.778   6.097  -7.124
  125    H    TYR  20           H        TYR  20  -1.304   4.236  -5.948
  126    HA   TYR  20           HA       TYR  20  -3.343   6.051  -6.496
  127   1HB   TYR  20          1HB       TYR  20  -2.494   3.460  -7.478
  128   2HB   TYR  20          2HB       TYR  20  -4.250   3.588  -7.472
  129    HD1  TYR  20           HD1      TYR  20  -5.390   5.022  -9.007
  130    HD2  TYR  20           HD2      TYR  20  -1.140   5.051  -8.807
  131    HE1  TYR  20           HE1      TYR  20  -5.306   6.318 -11.095
  132    HE2  TYR  20           HE2      TYR  20  -1.044   6.347 -10.894
  133    HH   TYR  20           HH       TYR  20  -3.798   6.823 -12.891
  134    H    GLY  21           H        GLY  21  -3.199   3.524  -4.158
  135   1HA   GLY  21          1HA       GLY  21  -4.732   3.532  -2.312
  136   2HA   GLY  21          2HA       GLY  21  -5.979   4.122  -3.402
  137    H    TYR  22           H        TYR  22  -3.715   1.404  -3.727
  138    HA   TYR  22           HA       TYR  22  -5.872  -0.510  -3.411
  139   1HB   TYR  22          1HB       TYR  22  -4.397  -0.244  -6.038
  140   2HB   TYR  22          2HB       TYR  22  -5.501  -1.550  -5.622
  141    HD1  TYR  22           HD1      TYR  22  -5.205   1.854  -6.803
  142    HD2  TYR  22           HD2      TYR  22  -7.927  -1.049  -5.298
  143    HE1  TYR  22           HE1      TYR  22  -7.087   3.184  -7.660
  144    HE2  TYR  22           HE2      TYR  22  -9.817   0.273  -6.151
  145    HH   TYR  22           HH       TYR  22  -9.707   3.356  -6.920
  146    H    CYS  23           H        CYS  23  -5.160  -2.381  -2.585
  147    HA   CYS  23           HA       CYS  23  -2.430  -2.641  -1.831
  148   1HB   CYS  23          1HB       CYS  23  -4.912  -4.246  -1.483
  149   2HB   CYS  23          2HB       CYS  23  -3.375  -5.080  -1.282
  150    H    GLY  24           H        GLY  24  -1.100  -4.575  -2.300
  151   1HA   GLY  24          1HA       GLY  24  -1.471  -6.373  -4.350
  152   2HA   GLY  24          2HA       GLY  24  -0.845  -4.925  -5.125
  153    H    SER  25           H        SER  25   0.978  -6.253  -5.735
  154    HA   SER  25           HA       SER  25   3.042  -6.198  -3.674
  155   1HB   SER  25          1HB       SER  25   3.808  -8.509  -4.534
  156   2HB   SER  25          2HB       SER  25   2.431  -8.458  -3.433
  157    HG   SER  25           HG       SER  25   2.500  -9.547  -5.801
  158    H    GLY  26           H        GLY  26   5.184  -7.122  -4.886
  159   1HA   GLY  26          1HA       GLY  26   6.792  -6.633  -6.449
  160   2HA   GLY  26          2HA       GLY  26   5.492  -6.629  -7.631
  161    H    ALA  27           H        ALA  27   7.011  -4.926  -8.516
  162    HA   ALA  27           HA       ALA  27   7.127  -2.394  -7.198
  163   1HB   ALA  27          1HB       ALA  27   7.897  -3.408  -9.897
  164   2HB   ALA  27          2HB       ALA  27   8.899  -2.687  -8.638
  165   3HB   ALA  27          3HB       ALA  27   7.830  -1.671  -9.604
  166    H    ALA  28           H        ALA  28   4.732  -3.970  -9.042
  167    HA   ALA  28           HA       ALA  28   3.520  -1.732 -10.280
  168   1HB   ALA  28          1HB       ALA  28   1.961  -3.191 -11.046
  169   2HB   ALA  28          2HB       ALA  28   1.830  -4.034  -9.503
  170   3HB   ALA  28          3HB       ALA  28   3.194  -4.359 -10.572
  171    H    TYR  29           H        TYR  29   3.155  -3.230  -7.121
  172    HA   TYR  29           HA       TYR  29   1.485  -0.949  -6.318
  173   1HB   TYR  29          1HB       TYR  29   1.003  -3.815  -5.483
  174   2HB   TYR  29          2HB       TYR  29   0.079  -2.411  -4.958
  175    HD1  TYR  29           HD1      TYR  29  -0.882  -0.965  -7.006
  176    HD2  TYR  29           HD2      TYR  29   0.093  -5.103  -7.160
  177    HE1  TYR  29           HE1      TYR  29  -2.401  -1.246  -8.919
  178    HE2  TYR  29           HE2      TYR  29  -1.423  -5.395  -9.074
  179    HH   TYR  29           HH       TYR  29  -2.777  -2.740 -10.769
  180    H    CYS  30           H        CYS  30   4.389  -1.954  -5.965
  181    HA   CYS  30           HA       CYS  30   4.641  -1.037  -3.255
  182   1HB   CYS  30          1HB       CYS  30   4.127  -3.564  -3.154
  183   2HB   CYS  30          2HB       CYS  30   5.752  -3.782  -3.796
  184    H    GLY  31           H        GLY  31   5.549  -0.303  -5.939
  185   1HA   GLY  31          1HA       GLY  31   8.437  -0.785  -5.794
  186   2HA   GLY  31          2HA       GLY  31   7.573  -0.095  -7.160
  187    H    ALA  32           H        ALA  32   9.748   1.216  -6.606
  188    HA   ALA  32           HA       ALA  32   9.590   3.170  -4.564
  189   1HB   ALA  32          1HB       ALA  32  11.511   4.143  -5.534
  190   2HB   ALA  32          2HB       ALA  32  11.155   3.450  -7.116
  191   3HB   ALA  32          3HB       ALA  32  11.667   2.405  -5.791
  192    H    GLY  33           H        GLY  33   7.999   4.624  -4.466
  193   1HA   GLY  33          1HA       GLY  33   7.137   6.724  -5.200
  194   2HA   GLY  33          2HA       GLY  33   7.484   6.252  -6.857
  195    H    ASN  34           H        ASN  34   6.271   3.538  -6.235
  196    HA   ASN  34           HA       ASN  34   3.474   4.384  -6.570
  197   1HB   ASN  34          1HB       ASN  34   4.977   2.865  -8.257
  198   2HB   ASN  34          2HB       ASN  34   4.205   1.615  -7.286
  199   1HD2  ASN  34          1HD2      ASN  34   3.318   1.169  -9.490
  200   2HD2  ASN  34          2HD2      ASN  34   1.840   1.954  -9.919
  201    H    CYS  35           H        CYS  35   4.825   4.014  -4.001
  202    HA   CYS  35           HA       CYS  35   3.088   1.899  -2.920
  203   1HB   CYS  35          1HB       CYS  35   5.398   1.094  -2.904
  204   2HB   CYS  35          2HB       CYS  35   5.912   2.541  -2.044
  205    H    ARG  36           H        ARG  36   1.622   2.744  -1.605
  206    HA   ARG  36           HA       ARG  36   1.947   5.398  -0.525
  207   1HB   ARG  36          1HB       ARG  36  -0.224   4.077  -1.365
  208   2HB   ARG  36          2HB       ARG  36  -0.309   3.670   0.343
  209   1HG   ARG  36          1HG       ARG  36  -0.765   5.806   0.979
  210   2HG   ARG  36          2HG       ARG  36   0.110   6.516  -0.380
  211   1HD   ARG  36          1HD       ARG  36  -1.906   5.203  -1.654
  212   2HD   ARG  36          2HD       ARG  36  -2.699   5.695  -0.159
  213    HE   ARG  36           HE       ARG  36  -1.225   7.803  -1.450
  214   1HH1  ARG  36          1HH1      ARG  36  -4.290   6.144  -1.262
  215   2HH1  ARG  36          2HH1      ARG  36  -5.194   7.483  -1.884
  216   1HH2  ARG  36          1HH2      ARG  36  -2.413   9.565  -2.266
  217   2HH2  ARG  36          2HH2      ARG  36  -4.129   9.425  -2.455
  218    H    CYS  37           H        CYS  37   1.079   2.298   1.010
  219    HA   CYS  37           HA       CYS  37   2.709   3.095   3.331
  220   1HB   CYS  37          1HB       CYS  37  -0.048   1.869   3.305
  221   2HB   CYS  37          2HB       CYS  37   0.985   1.855   4.730
  222    H    GLN  38           H        GLN  38   3.328   1.232   4.720
  223    HA   GLN  38           HA       GLN  38   4.346  -0.779   5.016
  224   1HB   GLN  38          1HB       GLN  38   1.895  -1.385   3.980
  225   2HB   GLN  38          2HB       GLN  38   2.958  -2.159   2.813
  226   1HG   GLN  38          1HG       GLN  38   2.962  -3.887   4.208
  227   2HG   GLN  38          2HG       GLN  38   4.052  -2.922   5.203
  228   1HE2  GLN  38          1HE2      GLN  38   1.657  -4.901   5.562
  229   2HE2  GLN  38          2HE2      GLN  38   0.759  -4.166   6.841
  230    H    CYS  39           H        CYS  39   5.733   0.995   3.510
  231    HA   CYS  39           HA       CYS  39   6.764  -0.499   1.208
  232   1HB   CYS  39          1HB       CYS  39   7.535   2.305   1.999
  233   2HB   CYS  39          2HB       CYS  39   7.710   1.532   0.428
  234    H    ARG  40           H        ARG  40   7.315  -1.079   4.112
  235    HA   ARG  40           HA       ARG  40  10.221  -0.660   4.140
  236   1HB   ARG  40          1HB       ARG  40   8.500  -0.082   6.104
  237   2HB   ARG  40          2HB       ARG  40   8.805  -1.766   6.508
  238   1HG   ARG  40          1HG       ARG  40  10.658  -1.155   7.538
  239   2HG   ARG  40          2HG       ARG  40  11.310  -0.600   5.995
  240   1HD   ARG  40          1HD       ARG  40   9.415   1.237   7.292
  241   2HD   ARG  40          2HD       ARG  40  10.928   0.986   8.161
  242    HE   ARG  40           HE       ARG  40  10.563   2.396   5.686
  243   1HH1  ARG  40          1HH1      ARG  40  12.842   0.636   7.659
  244   2HH1  ARG  40          2HH1      ARG  40  14.229   1.399   6.957
  245   1HH2  ARG  40          1HH2      ARG  40  12.387   3.400   4.763
  246   2HH2  ARG  40          2HH2      ARG  40  13.971   2.968   5.314
  247    H    GLY  41           H        GLY  41   7.701  -3.094   4.231
  248   1HA   GLY  41          1HA       GLY  41   8.802  -5.143   2.980
  249   2HA   GLY  41          2HA       GLY  41   9.665  -5.240   4.508
  Start of MODEL   11
    1    HN   PCA   1           HN       PCA   1  -9.248   2.654  -1.688
    2    HA   PCA   1           HA       PCA   1 -11.066   4.238  -1.764
    3   1HB   PCA   1          1HB       PCA   1 -12.890   2.894  -1.629
    4   2HB   PCA   1          2HB       PCA   1 -12.716   3.028   0.124
    5   1HG   PCA   1          1HG       PCA   1 -12.459   0.683  -1.346
    6   2HG   PCA   1          2HG       PCA   1 -11.845   0.939   0.297
    7    H    THR   2           H        THR   2  -9.464   2.628   0.883
    8    HA   THR   2           HA       THR   2  -9.071   5.132   2.245
    9    HB   THR   2           HB       THR   2  -9.996   4.217   4.425
   10    HG1  THR   2           HG1      THR   2 -10.464   2.161   4.178
   11   1HG2  THR   2          1HG2      THR   2 -12.184   4.979   4.090
   12   2HG2  THR   2          2HG2      THR   2 -12.160   4.551   2.379
   13   3HG2  THR   2          3HG2      THR   2 -11.190   5.903   2.964
   14    H    CYS   3           H        CYS   3  -7.245   3.472   1.064
   15    HA   CYS   3           HA       CYS   3  -6.093   1.625   2.914
   16   1HB   CYS   3          1HB       CYS   3  -5.828   1.507   0.423
   17   2HB   CYS   3          2HB       CYS   3  -4.778   2.917   0.518
   18    H    ALA   4           H        ALA   4  -5.425   4.971   1.988
   19    HA   ALA   4           HA       ALA   4  -3.056   5.261   3.504
   20   1HB   ALA   4          1HB       ALA   4  -3.181   7.555   3.017
   21   2HB   ALA   4          2HB       ALA   4  -4.936   7.509   2.845
   22   3HB   ALA   4          3HB       ALA   4  -3.910   6.754   1.625
   23    H    SER   5           H        SER   5  -6.453   5.590   4.282
   24    HA   SER   5           HA       SER   5  -6.115   6.937   6.757
   25   1HB   SER   5          1HB       SER   5  -8.340   5.512   5.383
   26   2HB   SER   5          2HB       SER   5  -8.481   5.752   7.125
   27    HG   SER   5           HG       SER   5  -8.583   7.590   5.066
   28    H    ARG   6           H        ARG   6  -5.879   3.615   5.784
   29    HA   ARG   6           HA       ARG   6  -5.731   2.769   8.595
   30   1HB   ARG   6          1HB       ARG   6  -6.805   1.556   6.197
   31   2HB   ARG   6          2HB       ARG   6  -5.630   0.494   6.960
   32   1HG   ARG   6          1HG       ARG   6  -7.001   0.004   8.647
   33   2HG   ARG   6          2HG       ARG   6  -7.493   1.686   8.855
   34   1HD   ARG   6          1HD       ARG   6  -9.330   0.107   8.193
   35   2HD   ARG   6          2HD       ARG   6  -9.128   1.509   7.144
   36    HE   ARG   6           HE       ARG   6  -7.653  -0.730   6.192
   37   1HH1  ARG   6          1HH1      ARG   6 -10.868   0.618   6.353
   38   2HH1  ARG   6          2HH1      ARG   6 -11.415  -0.194   4.924
   39   1HH2  ARG   6          1HH2      ARG   6  -8.371  -1.800   4.314
   40   2HH2  ARG   6          2HH2      ARG   6  -9.998  -1.567   3.767
   41    H    CYS   7           H        CYS   7  -3.609   4.181   7.140
   42    HA   CYS   7           HA       CYS   7  -1.558   2.195   6.651
   43   1HB   CYS   7          1HB       CYS   7  -1.858   5.116   6.271
   44   2HB   CYS   7          2HB       CYS   7  -0.224   4.552   6.604
   45    HA   PRO   8           HA       PRO   8   0.744   2.824   6.543
   46   1HB   PRO   8          1HB       PRO   8   3.054   1.832   7.409
   47   2HB   PRO   8          2HB       PRO   8   2.666   3.543   7.629
   48   1HG   PRO   8          1HG       PRO   8   2.555   1.305   9.605
   49   2HG   PRO   8          2HG       PRO   8   3.091   2.978   9.834
   50   1HD   PRO   8          1HD       PRO   8   0.579   1.977  10.507
   51   2HD   PRO   8          2HD       PRO   8   0.982   3.692  10.299
   52    H    ARG   9           H        ARG   9  -0.599   0.648   8.653
   53    HA   ARG   9           HA       ARG   9   0.140  -1.626   6.933
   54   1HB   ARG   9          1HB       ARG   9   0.957  -1.556   9.429
   55   2HB   ARG   9          2HB       ARG   9  -0.697  -2.040   9.777
   56   1HG   ARG   9          1HG       ARG   9  -0.417  -4.119   8.926
   57   2HG   ARG   9          2HG       ARG   9   0.733  -3.582   7.700
   58   1HD   ARG   9          1HD       ARG   9   2.217  -4.638   9.034
   59   2HD   ARG   9          2HD       ARG   9   2.176  -3.112   9.916
   60    HE   ARG   9           HE       ARG   9   0.204  -5.007  10.797
   61   1HH1  ARG   9          1HH1      ARG   9   3.512  -3.952  11.146
   62   2HH1  ARG   9          2HH1      ARG   9   3.681  -4.600  12.743
   63   1HH2  ARG   9          1HH2      ARG   9   0.424  -5.859  12.898
   64   2HH2  ARG   9          2HH2      ARG   9   1.929  -5.683  13.738
   65    HA   PRO  10           HA       PRO  10  -4.471  -1.081   6.933
   66   1HB   PRO  10          1HB       PRO  10  -4.843  -0.578   4.333
   67   2HB   PRO  10          2HB       PRO  10  -4.335   0.695   5.450
   68   1HG   PRO  10          1HG       PRO  10  -2.701  -0.883   3.505
   69   2HG   PRO  10          2HG       PRO  10  -2.619   0.843   3.896
   70   1HD   PRO  10          1HD       PRO  10  -0.925  -1.083   4.922
   71   2HD   PRO  10          2HD       PRO  10  -1.247   0.486   5.685
   72    H    CYS  11           H        CYS  11  -2.273  -2.874   4.867
   73    HA   CYS  11           HA       CYS  11  -4.361  -4.900   4.423
   74   1HB   CYS  11          1HB       CYS  11  -2.124  -3.895   2.783
   75   2HB   CYS  11          2HB       CYS  11  -2.344  -5.641   2.752
   76    H    ASN  12           H        ASN  12  -3.391  -7.178   4.180
   77    HA   ASN  12           HA       ASN  12  -2.195  -7.868   6.672
   78   1HB   ASN  12          1HB       ASN  12  -3.199  -9.336   4.288
   79   2HB   ASN  12          2HB       ASN  12  -2.048 -10.178   5.320
   80   1HD2  ASN  12          1HD2      ASN  12  -5.171  -8.603   5.212
   81   2HD2  ASN  12          2HD2      ASN  12  -5.825  -9.380   6.609
   82    H    ALA  13           H        ALA  13  -0.404  -9.806   6.302
   83    HA   ALA  13           HA       ALA  13   1.946  -8.352   5.491
   84   1HB   ALA  13          1HB       ALA  13   2.917 -10.778   6.092
   85   2HB   ALA  13          2HB       ALA  13   1.380 -10.856   6.953
   86   3HB   ALA  13          3HB       ALA  13   2.526  -9.565   7.311
   87    H    GLY  14           H        GLY  14   3.111  -8.585   3.671
   88   1HA   GLY  14          1HA       GLY  14   3.964 -10.031   1.902
   89   2HA   GLY  14          2HA       GLY  14   2.379 -10.788   1.846
   90    H    LEU  15           H        LEU  15   1.066  -8.118   2.106
   91    HA   LEU  15           HA       LEU  15   1.373  -7.321  -0.707
   92   1HB   LEU  15          1HB       LEU  15  -0.946  -6.834   1.164
   93   2HB   LEU  15          2HB       LEU  15  -0.890  -6.421  -0.539
   94    HG   LEU  15           HG       LEU  15  -0.421  -9.052  -0.739
   95   1HD1  LEU  15          1HD1      LEU  15  -1.659 -10.322   0.842
   96   2HD1  LEU  15          2HD1      LEU  15  -2.275  -8.866   1.624
   97   3HD1  LEU  15          3HD1      LEU  15  -0.565  -9.280   1.753
   98   1HD2  LEU  15          1HD2      LEU  15  -2.147  -8.356  -2.036
   99   2HD2  LEU  15          2HD2      LEU  15  -2.878  -7.400  -0.746
  100   3HD2  LEU  15          3HD2      LEU  15  -3.084  -9.152  -0.771
  101    H    CYS  16           H        CYS  16   0.765  -4.950  -1.095
  102    HA   CYS  16           HA       CYS  16   1.665  -3.198   1.067
  103   1HB   CYS  16          1HB       CYS  16   2.867  -3.148  -1.709
  104   2HB   CYS  16          2HB       CYS  16   3.240  -2.031  -0.401
  105    H    CYS  17           H        CYS  17   1.251  -0.898   0.606
  106    HA   CYS  17           HA       CYS  17  -1.269  -0.624  -0.842
  107   1HB   CYS  17          1HB       CYS  17  -0.979   0.193   1.534
  108   2HB   CYS  17          2HB       CYS  17   0.090   1.437   0.897
  109    H    SER  18           H        SER  18  -1.513   0.504  -2.674
  110    HA   SER  18           HA       SER  18   0.883   1.626  -3.906
  111   1HB   SER  18          1HB       SER  18  -0.623  -0.008  -5.124
  112   2HB   SER  18          2HB       SER  18  -1.838   1.269  -5.173
  113    HG   SER  18           HG       SER  18  -0.065   0.920  -6.949
  114    H    ILE  19           H        ILE  19   1.135   3.734  -4.445
  115    HA   ILE  19           HA       ILE  19   0.043   5.763  -3.003
  116    HB   ILE  19           HB       ILE  19   0.736   7.308  -4.843
  117   1HG1  ILE  19          1HG1      ILE  19   2.217   5.759  -6.538
  118   2HG1  ILE  19          2HG1      ILE  19   0.804   4.738  -6.286
  119   1HG2  ILE  19          1HG2      ILE  19   2.732   5.189  -4.055
  120   2HG2  ILE  19          2HG2      ILE  19   2.291   6.605  -3.101
  121   3HG2  ILE  19          3HG2      ILE  19   3.119   6.805  -4.646
  122   1HD1  ILE  19          1HD1      ILE  19   0.988   6.665  -8.164
  123   2HD1  ILE  19          2HD1      ILE  19   0.210   7.553  -6.853
  124   3HD1  ILE  19          3HD1      ILE  19  -0.529   6.080  -7.482
  125    H    TYR  20           H        TYR  20  -1.189   4.445  -6.025
  126    HA   TYR  20           HA       TYR  20  -3.103   6.378  -6.623
  127   1HB   TYR  20          1HB       TYR  20  -3.202   3.394  -7.109
  128   2HB   TYR  20          2HB       TYR  20  -4.270   4.571  -7.866
  129    HD1  TYR  20           HD1      TYR  20  -0.973   3.062  -7.893
  130    HD2  TYR  20           HD2      TYR  20  -3.350   6.210  -9.486
  131    HE1  TYR  20           HE1      TYR  20   0.668   3.381  -9.696
  132    HE2  TYR  20           HE2      TYR  20  -1.715   6.537 -11.294
  133    HH   TYR  20           HH       TYR  20   0.799   4.304 -11.925
  134    H    GLY  21           H        GLY  21  -3.043   4.029  -4.103
  135   1HA   GLY  21          1HA       GLY  21  -4.485   4.297  -2.202
  136   2HA   GLY  21          2HA       GLY  21  -5.734   4.895  -3.285
  137    H    TYR  22           H        TYR  22  -3.707   2.016  -3.639
  138    HA   TYR  22           HA       TYR  22  -5.906   0.259  -2.956
  139   1HB   TYR  22          1HB       TYR  22  -4.881   0.512  -5.782
  140   2HB   TYR  22          2HB       TYR  22  -5.727  -0.920  -5.205
  141    HD1  TYR  22           HD1      TYR  22  -6.080   2.353  -6.577
  142    HD2  TYR  22           HD2      TYR  22  -8.086  -0.588  -4.245
  143    HE1  TYR  22           HE1      TYR  22  -8.232   3.433  -7.075
  144    HE2  TYR  22           HE2      TYR  22 -10.243   0.484  -4.738
  145    HH   TYR  22           HH       TYR  22 -10.488   3.577  -6.112
  146    H    CYS  23           H        CYS  23  -5.243  -1.766  -2.377
  147    HA   CYS  23           HA       CYS  23  -2.454  -2.119  -1.858
  148   1HB   CYS  23          1HB       CYS  23  -4.957  -3.602  -1.258
  149   2HB   CYS  23          2HB       CYS  23  -3.463  -4.533  -1.257
  150    H    GLY  24           H        GLY  24  -1.539  -4.442  -2.333
  151   1HA   GLY  24          1HA       GLY  24  -2.179  -5.983  -4.493
  152   2HA   GLY  24          2HA       GLY  24  -1.330  -4.614  -5.195
  153    H    SER  25           H        SER  25   0.439  -5.785  -5.891
  154    HA   SER  25           HA       SER  25   2.409  -6.346  -3.855
  155   1HB   SER  25          1HB       SER  25   1.623  -8.565  -5.755
  156   2HB   SER  25          2HB       SER  25   2.820  -8.643  -4.462
  157    HG   SER  25           HG       SER  25   0.008  -8.482  -4.263
  158    H    GLY  26           H        GLY  26   4.323  -7.616  -5.281
  159   1HA   GLY  26          1HA       GLY  26   5.948  -7.311  -6.875
  160   2HA   GLY  26          2HA       GLY  26   4.682  -6.705  -7.932
  161    H    ALA  27           H        ALA  27   6.341  -5.223  -8.698
  162    HA   ALA  27           HA       ALA  27   7.248  -3.164  -6.877
  163   1HB   ALA  27          1HB       ALA  27   7.654  -3.577  -9.834
  164   2HB   ALA  27          2HB       ALA  27   8.812  -3.870  -8.536
  165   3HB   ALA  27          3HB       ALA  27   8.326  -2.221  -8.928
  166    H    ALA  28           H        ALA  28   4.777  -3.597  -9.301
  167    HA   ALA  28           HA       ALA  28   4.152  -0.913  -9.813
  168   1HB   ALA  28          1HB       ALA  28   2.011  -1.733 -10.621
  169   2HB   ALA  28          2HB       ALA  28   2.290  -3.285  -9.830
  170   3HB   ALA  28          3HB       ALA  28   3.321  -2.779 -11.169
  171    H    TYR  29           H        TYR  29   3.159  -3.085  -7.233
  172    HA   TYR  29           HA       TYR  29   1.588  -0.903  -6.037
  173   1HB   TYR  29          1HB       TYR  29   1.483  -3.888  -5.578
  174   2HB   TYR  29          2HB       TYR  29   0.585  -2.717  -4.620
  175    HD1  TYR  29           HD1      TYR  29  -1.452  -1.801  -5.408
  176    HD2  TYR  29           HD2      TYR  29   0.979  -4.110  -8.026
  177    HE1  TYR  29           HE1      TYR  29  -3.282  -1.856  -7.049
  178    HE2  TYR  29           HE2      TYR  29  -0.844  -4.171  -9.675
  179    HH   TYR  29           HH       TYR  29  -4.028  -3.210  -8.932
  180    H    CYS  30           H        CYS  30   4.279  -3.066  -5.550
  181    HA   CYS  30           HA       CYS  30   4.870  -1.669  -3.026
  182   1HB   CYS  30          1HB       CYS  30   4.135  -4.152  -2.872
  183   2HB   CYS  30          2HB       CYS  30   5.735  -4.505  -3.517
  184    H    GLY  31           H        GLY  31   5.813  -0.612  -5.317
  185   1HA   GLY  31          1HA       GLY  31   8.513  -1.645  -5.758
  186   2HA   GLY  31          2HA       GLY  31   7.718  -0.388  -6.694
  187    H    ALA  32           H        ALA  32   9.382   1.088  -6.559
  188    HA   ALA  32           HA       ALA  32   9.907   2.156  -3.861
  189   1HB   ALA  32          1HB       ALA  32  11.882   2.674  -6.002
  190   2HB   ALA  32          2HB       ALA  32  11.795   1.026  -5.382
  191   3HB   ALA  32          3HB       ALA  32  12.124   2.365  -4.282
  192    H    GLY  33           H        GLY  33   7.969   3.467  -4.289
  193   1HA   GLY  33          1HA       GLY  33   8.041   6.010  -4.492
  194   2HA   GLY  33          2HA       GLY  33   8.483   5.687  -6.162
  195    H    ASN  34           H        ASN  34   6.665   3.334  -6.249
  196    HA   ASN  34           HA       ASN  34   4.208   4.846  -6.746
  197   1HB   ASN  34          1HB       ASN  34   4.760   2.005  -7.596
  198   2HB   ASN  34          2HB       ASN  34   3.574   3.127  -8.257
  199   1HD2  ASN  34          1HD2      ASN  34   5.418   1.730  -9.806
  200   2HD2  ASN  34          2HD2      ASN  34   6.508   2.863 -10.522
  201    H    CYS  35           H        CYS  35   5.178   3.789  -4.072
  202    HA   CYS  35           HA       CYS  35   2.778   2.203  -3.430
  203   1HB   CYS  35          1HB       CYS  35   4.104   1.245  -1.541
  204   2HB   CYS  35          2HB       CYS  35   4.719   0.810  -3.131
  205    H    ARG  36           H        ARG  36   1.485   2.912  -1.827
  206    HA   ARG  36           HA       ARG  36   1.943   5.561  -0.792
  207   1HB   ARG  36          1HB       ARG  36  -0.304   4.541  -1.527
  208   2HB   ARG  36          2HB       ARG  36  -0.294   3.724   0.029
  209   1HG   ARG  36          1HG       ARG  36  -1.613   5.783   0.073
  210   2HG   ARG  36          2HG       ARG  36  -0.245   5.847   1.186
  211   1HD   ARG  36          1HD       ARG  36   0.577   7.644   0.167
  212   2HD   ARG  36          2HD       ARG  36   0.520   6.843  -1.403
  213    HE   ARG  36           HE       ARG  36  -2.052   7.560  -0.991
  214   1HH1  ARG  36          1HH1      ARG  36   0.958   9.321  -0.850
  215   2HH1  ARG  36          2HH1      ARG  36   0.244  10.826  -1.322
  216   1HH2  ARG  36          1HH2      ARG  36  -2.993   9.538  -1.613
  217   2HH2  ARG  36          2HH2      ARG  36  -1.999  10.950  -1.755
  218    H    CYS  37           H        CYS  37   1.846   2.273   0.492
  219    HA   CYS  37           HA       CYS  37   3.365   3.162   2.808
  220   1HB   CYS  37          1HB       CYS  37   0.613   1.960   2.965
  221   2HB   CYS  37          2HB       CYS  37   1.767   1.747   4.277
  222    H    GLN  38           H        GLN  38   4.091   1.269   4.144
  223    HA   GLN  38           HA       GLN  38   5.155  -0.729   4.339
  224   1HB   GLN  38          1HB       GLN  38   2.699  -1.339   3.187
  225   2HB   GLN  38          2HB       GLN  38   3.863  -2.156   2.153
  226   1HG   GLN  38          1HG       GLN  38   4.819  -3.256   4.129
  227   2HG   GLN  38          2HG       GLN  38   3.608  -2.466   5.136
  228   1HE2  GLN  38          1HE2      GLN  38   1.343  -2.709   3.709
  229   2HE2  GLN  38          2HE2      GLN  38   0.932  -4.373   3.492
  230    H    CYS  39           H        CYS  39   6.457   1.154   2.893
  231    HA   CYS  39           HA       CYS  39   7.517  -0.227   0.529
  232   1HB   CYS  39          1HB       CYS  39   8.067   2.616   1.388
  233   2HB   CYS  39          2HB       CYS  39   8.400   1.888  -0.179
  234    H    ARG  40           H        ARG  40   8.346   0.886   3.719
  235    HA   ARG  40           HA       ARG  40  11.162   0.191   3.301
  236   1HB   ARG  40          1HB       ARG  40   9.733   2.045   5.035
  237   2HB   ARG  40          2HB       ARG  40  10.888   1.063   5.926
  238   1HG   ARG  40          1HG       ARG  40  12.403   1.788   3.820
  239   2HG   ARG  40          2HG       ARG  40  11.337   3.189   3.944
  240   1HD   ARG  40          1HD       ARG  40  12.450   3.941   5.714
  241   2HD   ARG  40          2HD       ARG  40  12.230   2.408   6.557
  242    HE   ARG  40           HE       ARG  40  14.323   2.365   4.584
  243   1HH1  ARG  40          1HH1      ARG  40  13.529   3.093   7.904
  244   2HH1  ARG  40          2HH1      ARG  40  15.153   2.889   8.468
  245   1HH2  ARG  40          1HH2      ARG  40  16.460   2.098   5.324
  246   2HH2  ARG  40          2HH2      ARG  40  16.818   2.325   7.003
  247    H    GLY  41           H        GLY  41   8.900  -1.758   3.535
  248   1HA   GLY  41          1HA       GLY  41   9.657  -4.000   4.403
  249   2HA   GLY  41          2HA       GLY  41   9.818  -3.187   5.953
  Start of MODEL   12
    1    HN   PCA   1           HN       PCA   1  -8.592   3.190  -1.900
    2    HA   PCA   1           HA       PCA   1 -10.118   5.035  -2.180
    3   1HB   PCA   1          1HB       PCA   1 -12.122   3.983  -2.355
    4   2HB   PCA   1          2HB       PCA   1 -12.192   4.077  -0.593
    5   1HG   PCA   1          1HG       PCA   1 -12.077   1.730  -2.075
    6   2HG   PCA   1          2HG       PCA   1 -11.676   1.879  -0.355
    7    H    THR   2           H        THR   2  -9.293   3.142   0.651
    8    HA   THR   2           HA       THR   2  -8.811   5.592   2.142
    9    HB   THR   2           HB       THR   2  -9.990   4.446   4.159
   10    HG1  THR   2           HG1      THR   2 -11.012   2.697   3.688
   11   1HG2  THR   2          1HG2      THR   2 -11.842   5.738   3.884
   12   2HG2  THR   2          2HG2      THR   2 -12.005   5.338   2.174
   13   3HG2  THR   2          3HG2      THR   2 -10.770   6.483   2.698
   14    H    CYS   3           H        CYS   3  -6.951   3.881   1.063
   15    HA   CYS   3           HA       CYS   3  -6.079   1.955   3.010
   16   1HB   CYS   3          1HB       CYS   3  -5.636   1.594   0.634
   17   2HB   CYS   3          2HB       CYS   3  -4.685   3.074   0.569
   18    H    ALA   4           H        ALA   4  -5.335   5.279   2.203
   19    HA   ALA   4           HA       ALA   4  -2.917   5.567   3.571
   20   1HB   ALA   4          1HB       ALA   4  -4.133   7.209   2.000
   21   2HB   ALA   4          2HB       ALA   4  -3.190   7.865   3.337
   22   3HB   ALA   4          3HB       ALA   4  -4.946   7.766   3.462
   23    H    SER   5           H        SER   5  -6.238   6.053   4.691
   24    HA   SER   5           HA       SER   5  -5.508   6.769   7.344
   25   1HB   SER   5          1HB       SER   5  -8.020   6.068   7.730
   26   2HB   SER   5          2HB       SER   5  -7.631   7.524   6.813
   27    HG   SER   5           HG       SER   5  -9.192   6.114   5.798
   28    H    ARG   6           H        ARG   6  -5.868   3.758   5.699
   29    HA   ARG   6           HA       ARG   6  -6.276   2.181   8.071
   30   1HB   ARG   6          1HB       ARG   6  -6.232   1.739   5.199
   31   2HB   ARG   6          2HB       ARG   6  -5.371   0.474   6.064
   32   1HG   ARG   6          1HG       ARG   6  -7.250  -0.400   6.905
   33   2HG   ARG   6          2HG       ARG   6  -7.953   1.182   7.244
   34   1HD   ARG   6          1HD       ARG   6  -9.346   0.736   5.552
   35   2HD   ARG   6          2HD       ARG   6  -7.976   1.099   4.505
   36    HE   ARG   6           HE       ARG   6  -8.071  -1.638   5.377
   37   1HH1  ARG   6          1HH1      ARG   6  -9.188   0.643   2.984
   38   2HH1  ARG   6          2HH1      ARG   6  -9.481  -0.570   1.783
   39   1HH2  ARG   6          1HH2      ARG   6  -8.457  -3.235   3.800
   40   2HH2  ARG   6          2HH2      ARG   6  -9.067  -2.771   2.246
   41    H    CYS   7           H        CYS   7  -3.571   3.474   6.381
   42    HA   CYS   7           HA       CYS   7  -1.549   1.668   6.912
   43   1HB   CYS   7          1HB       CYS   7  -1.575   4.673   6.753
   44   2HB   CYS   7          2HB       CYS   7  -0.084   3.792   7.062
   45    HA   PRO   8           HA       PRO   8   0.621   2.048   7.439
   46   1HB   PRO   8          1HB       PRO   8   2.581   1.054   8.927
   47   2HB   PRO   8          2HB       PRO   8   2.214   2.783   8.968
   48   1HG   PRO   8          1HG       PRO   8   1.534   0.653  10.943
   49   2HG   PRO   8          2HG       PRO   8   2.008   2.336  11.227
   50   1HD   PRO   8          1HD       PRO   8  -0.615   1.331  11.210
   51   2HD   PRO   8          2HD       PRO   8  -0.149   3.042  11.142
   52    H    ARG   9           H        ARG   9  -1.547   0.160   8.754
   53    HA   ARG   9           HA       ARG   9  -0.396  -2.279   7.606
   54   1HB   ARG   9          1HB       ARG   9  -1.418  -1.904  10.381
   55   2HB   ARG   9          2HB       ARG   9  -1.752  -3.433   9.578
   56   1HG   ARG   9          1HG       ARG   9   1.030  -2.563   9.361
   57   2HG   ARG   9          2HG       ARG   9   0.491  -2.856  11.015
   58   1HD   ARG   9          1HD       ARG   9  -0.488  -4.962   9.374
   59   2HD   ARG   9          2HD       ARG   9   1.226  -4.745   9.025
   60    HE   ARG   9           HE       ARG   9   1.732  -5.485  11.143
   61   1HH1  ARG   9          1HH1      ARG   9  -1.706  -4.921  10.903
   62   2HH1  ARG   9          2HH1      ARG   9  -2.060  -5.681  12.418
   63   1HH2  ARG   9          1HH2      ARG   9   1.265  -6.482  13.134
   64   2HH2  ARG   9          2HH2      ARG   9  -0.375  -6.566  13.685
   65    HA   PRO  10           HA       PRO  10  -4.772  -1.380   6.201
   66   1HB   PRO  10          1HB       PRO  10  -3.677  -1.571   3.499
   67   2HB   PRO  10          2HB       PRO  10  -4.577  -0.249   4.245
   68   1HG   PRO  10          1HG       PRO  10  -1.946  -0.063   3.636
   69   2HG   PRO  10          2HG       PRO  10  -2.676   0.791   5.007
   70   1HD   PRO  10          1HD       PRO  10  -1.072  -1.740   4.987
   71   2HD   PRO  10          2HD       PRO  10  -1.009  -0.374   6.122
   72    H    CYS  11           H        CYS  11  -2.343  -3.508   4.701
   73    HA   CYS  11           HA       CYS  11  -4.398  -5.620   4.589
   74   1HB   CYS  11          1HB       CYS  11  -2.081  -5.262   2.679
   75   2HB   CYS  11          2HB       CYS  11  -3.334  -6.495   2.585
   76    H    ASN  12           H        ASN  12  -3.312  -7.858   4.394
   77    HA   ASN  12           HA       ASN  12  -1.862  -8.339   6.748
   78   1HB   ASN  12          1HB       ASN  12  -3.222  -9.889   4.904
   79   2HB   ASN  12          2HB       ASN  12  -1.552 -10.414   4.710
   80   1HD2  ASN  12          1HD2      ASN  12  -4.120  -9.938   7.066
   81   2HD2  ASN  12          2HD2      ASN  12  -3.573 -11.141   8.178
   82    H    ALA  13           H        ALA  13   0.167 -10.046   6.254
   83    HA   ALA  13           HA       ALA  13   2.275  -8.253   5.456
   84   1HB   ALA  13          1HB       ALA  13   2.557 -11.146   6.240
   85   2HB   ALA  13          2HB       ALA  13   2.403  -9.834   7.409
   86   3HB   ALA  13          3HB       ALA  13   3.781  -9.878   6.309
   87    H    GLY  14           H        GLY  14   3.579  -8.381   3.680
   88   1HA   GLY  14          1HA       GLY  14   4.514  -9.615   1.825
   89   2HA   GLY  14          2HA       GLY  14   3.018 -10.534   1.746
   90    H    LEU  15           H        LEU  15   1.411  -8.057   2.103
   91    HA   LEU  15           HA       LEU  15   1.478  -7.227  -0.696
   92   1HB   LEU  15          1HB       LEU  15  -0.589  -6.792   1.460
   93   2HB   LEU  15          2HB       LEU  15  -0.742  -6.231  -0.194
   94    HG   LEU  15           HG       LEU  15  -0.324  -8.838  -0.674
   95   1HD1  LEU  15          1HD1      LEU  15  -1.486  -8.667   2.087
   96   2HD1  LEU  15          2HD1      LEU  15  -0.145  -9.657   1.510
   97   3HD1  LEU  15          3HD1      LEU  15  -1.797 -10.042   1.027
   98   1HD2  LEU  15          1HD2      LEU  15  -2.237  -8.303  -1.682
   99   2HD2  LEU  15          2HD2      LEU  15  -2.624  -7.083  -0.469
  100   3HD2  LEU  15          3HD2      LEU  15  -3.049  -8.771  -0.189
  101    H    CYS  16           H        CYS  16   0.782  -4.858  -1.050
  102    HA   CYS  16           HA       CYS  16   1.888  -3.025   0.925
  103   1HB   CYS  16          1HB       CYS  16   2.890  -3.005  -1.926
  104   2HB   CYS  16          2HB       CYS  16   3.432  -1.981  -0.601
  105    H    CYS  17           H        CYS  17   1.416  -0.765   0.429
  106    HA   CYS  17           HA       CYS  17  -1.125  -0.542  -1.009
  107   1HB   CYS  17          1HB       CYS  17  -0.912   0.219   1.391
  108   2HB   CYS  17          2HB       CYS  17   0.143   1.504   0.816
  109    H    SER  18           H        SER  18  -1.277   0.476  -2.898
  110    HA   SER  18           HA       SER  18   1.093   1.744  -4.005
  111   1HB   SER  18          1HB       SER  18  -0.457   0.072  -5.236
  112   2HB   SER  18          2HB       SER  18  -1.537   1.451  -5.440
  113    HG   SER  18           HG       SER  18   0.308   2.543  -6.399
  114    H    ILE  19           H        ILE  19   1.293   3.859  -4.539
  115    HA   ILE  19           HA       ILE  19   0.119   5.842  -3.097
  116    HB   ILE  19           HB       ILE  19   0.788   7.417  -4.946
  117   1HG1  ILE  19          1HG1      ILE  19   1.899   4.921  -6.240
  118   2HG1  ILE  19          2HG1      ILE  19   0.407   5.696  -6.763
  119   1HG2  ILE  19          1HG2      ILE  19   2.642   5.445  -3.683
  120   2HG2  ILE  19          2HG2      ILE  19   2.407   7.155  -3.322
  121   3HG2  ILE  19          3HG2      ILE  19   3.272   6.673  -4.782
  122   1HD1  ILE  19          1HD1      ILE  19   2.896   7.317  -6.594
  123   2HD1  ILE  19          2HD1      ILE  19   1.497   7.501  -7.652
  124   3HD1  ILE  19          3HD1      ILE  19   2.666   6.214  -7.951
  125    H    TYR  20           H        TYR  20  -1.036   4.491  -6.131
  126    HA   TYR  20           HA       TYR  20  -2.980   6.387  -6.764
  127   1HB   TYR  20          1HB       TYR  20  -2.138   3.989  -7.839
  128   2HB   TYR  20          2HB       TYR  20  -3.790   3.635  -7.347
  129    HD1  TYR  20           HD1      TYR  20  -5.423   3.976  -8.934
  130    HD2  TYR  20           HD2      TYR  20  -1.922   6.390  -9.061
  131    HE1  TYR  20           HE1      TYR  20  -6.266   5.081 -10.962
  132    HE2  TYR  20           HE2      TYR  20  -2.755   7.502 -11.089
  133    HH   TYR  20           HH       TYR  20  -5.429   6.325 -12.864
  134    H    GLY  21           H        GLY  21  -2.889   4.107  -4.201
  135   1HA   GLY  21          1HA       GLY  21  -4.373   4.287  -2.347
  136   2HA   GLY  21          2HA       GLY  21  -5.607   4.907  -3.434
  137    H    TYR  22           H        TYR  22  -3.559   2.009  -3.640
  138    HA   TYR  22           HA       TYR  22  -5.836   0.285  -3.151
  139   1HB   TYR  22          1HB       TYR  22  -4.776   0.805  -5.865
  140   2HB   TYR  22          2HB       TYR  22  -5.067  -0.884  -5.463
  141    HD1  TYR  22           HD1      TYR  22  -6.511   2.000  -6.804
  142    HD2  TYR  22           HD2      TYR  22  -7.428  -1.317  -4.304
  143    HE1  TYR  22           HE1      TYR  22  -8.903   2.303  -7.289
  144    HE2  TYR  22           HE2      TYR  22  -9.822  -1.025  -4.783
  145    HH   TYR  22           HH       TYR  22 -11.155   0.101  -6.886
  146    H    CYS  23           H        CYS  23  -5.275  -1.772  -2.545
  147    HA   CYS  23           HA       CYS  23  -2.511  -2.163  -1.811
  148   1HB   CYS  23          1HB       CYS  23  -4.837  -2.879  -0.625
  149   2HB   CYS  23          2HB       CYS  23  -4.441  -4.380  -1.455
  150    H    GLY  24           H        GLY  24  -1.580  -4.446  -2.147
  151   1HA   GLY  24          1HA       GLY  24  -2.206  -6.232  -4.081
  152   2HA   GLY  24          2HA       GLY  24  -1.510  -4.907  -5.000
  153    H    SER  25           H        SER  25   0.240  -6.156  -5.691
  154    HA   SER  25           HA       SER  25   2.380  -6.357  -3.730
  155   1HB   SER  25          1HB       SER  25   1.288  -8.580  -3.690
  156   2HB   SER  25          2HB       SER  25   1.566  -8.731  -5.424
  157    HG   SER  25           HG       SER  25   3.215  -9.773  -4.312
  158    H    GLY  26           H        GLY  26   4.293  -7.604  -5.190
  159   1HA   GLY  26          1HA       GLY  26   5.836  -7.265  -6.855
  160   2HA   GLY  26          2HA       GLY  26   4.479  -6.870  -7.899
  161    H    ALA  27           H        ALA  27   5.840  -5.290  -8.901
  162    HA   ALA  27           HA       ALA  27   6.749  -3.038  -7.334
  163   1HB   ALA  27          1HB       ALA  27   7.063  -3.964 -10.121
  164   2HB   ALA  27          2HB       ALA  27   8.252  -3.293  -9.005
  165   3HB   ALA  27          3HB       ALA  27   7.140  -2.222  -9.857
  166    H    ALA  28           H        ALA  28   4.007  -3.869  -9.297
  167    HA   ALA  28           HA       ALA  28   3.073  -1.332  -9.989
  168   1HB   ALA  28          1HB       ALA  28   0.861  -2.398 -10.186
  169   2HB   ALA  28          2HB       ALA  28   1.499  -3.831  -9.380
  170   3HB   ALA  28          3HB       ALA  28   2.136  -3.346 -10.951
  171    H    TYR  29           H        TYR  29   2.708  -3.186  -7.023
  172    HA   TYR  29           HA       TYR  29   1.361  -0.863  -5.808
  173   1HB   TYR  29          1HB       TYR  29   1.169  -3.754  -4.942
  174   2HB   TYR  29          2HB       TYR  29   0.294  -2.393  -4.245
  175    HD1  TYR  29           HD1      TYR  29  -1.769  -1.715  -5.138
  176    HD2  TYR  29           HD2      TYR  29   0.706  -4.360  -7.369
  177    HE1  TYR  29           HE1      TYR  29  -3.598  -2.063  -6.744
  178    HE2  TYR  29           HE2      TYR  29  -1.116  -4.714  -8.982
  179    HH   TYR  29           HH       TYR  29  -3.866  -2.758  -9.108
  180    H    CYS  30           H        CYS  30   4.126  -2.880  -5.733
  181    HA   CYS  30           HA       CYS  30   4.996  -1.562  -3.252
  182   1HB   CYS  30          1HB       CYS  30   4.414  -4.180  -3.274
  183   2HB   CYS  30          2HB       CYS  30   6.078  -4.265  -3.843
  184    H    GLY  31           H        GLY  31   5.443  -0.811  -6.019
  185   1HA   GLY  31          1HA       GLY  31   8.237  -1.505  -6.511
  186   2HA   GLY  31          2HA       GLY  31   7.188  -0.596  -7.587
  187    H    ALA  32           H        ALA  32   9.551   0.457  -7.424
  188    HA   ALA  32           HA       ALA  32   9.951   2.226  -5.216
  189   1HB   ALA  32          1HB       ALA  32  11.227   2.081  -7.941
  190   2HB   ALA  32          2HB       ALA  32  11.874   1.482  -6.413
  191   3HB   ALA  32          3HB       ALA  32  11.719   3.217  -6.686
  192    H    GLY  33           H        GLY  33   9.268   4.259  -4.918
  193   1HA   GLY  33          1HA       GLY  33   8.129   6.222  -5.251
  194   2HA   GLY  33          2HA       GLY  33   8.675   6.124  -6.919
  195    H    ASN  34           H        ASN  34   6.747   3.563  -5.597
  196    HA   ASN  34           HA       ASN  34   4.302   4.665  -6.753
  197   1HB   ASN  34          1HB       ASN  34   5.526   3.311  -8.508
  198   2HB   ASN  34          2HB       ASN  34   5.265   1.899  -7.490
  199   1HD2  ASN  34          1HD2      ASN  34   3.964   0.831  -8.915
  200   2HD2  ASN  34          2HD2      ASN  34   2.373   1.361  -9.329
  201    H    CYS  35           H        CYS  35   5.381   3.915  -4.043
  202    HA   CYS  35           HA       CYS  35   3.125   2.195  -3.268
  203   1HB   CYS  35          1HB       CYS  35   4.501   1.043  -1.640
  204   2HB   CYS  35          2HB       CYS  35   5.237   0.893  -3.231
  205    H    ARG  36           H        ARG  36   1.859   3.087  -1.783
  206    HA   ARG  36           HA       ARG  36   2.590   5.597  -0.574
  207   1HB   ARG  36          1HB       ARG  36   0.256   4.807  -1.432
  208   2HB   ARG  36          2HB       ARG  36   0.125   4.047   0.148
  209   1HG   ARG  36          1HG       ARG  36  -0.939   6.171   0.261
  210   2HG   ARG  36          2HG       ARG  36   0.564   6.271   1.179
  211   1HD   ARG  36          1HD       ARG  36   1.338   7.899  -0.125
  212   2HD   ARG  36          2HD       ARG  36   0.987   6.978  -1.588
  213    HE   ARG  36           HE       ARG  36  -1.442   7.891  -0.876
  214   1HH1  ARG  36          1HH1      ARG  36   1.640   9.482  -1.271
  215   2HH1  ARG  36          2HH1      ARG  36   0.939  10.994  -1.741
  216   1HH2  ARG  36          1HH2      ARG  36  -2.363   9.879  -1.495
  217   2HH2  ARG  36          2HH2      ARG  36  -1.332  11.220  -1.868
  218    H    CYS  37           H        CYS  37   1.933   2.303   0.565
  219    HA   CYS  37           HA       CYS  37   3.393   2.947   3.028
  220   1HB   CYS  37          1HB       CYS  37   0.594   2.013   2.788
  221   2HB   CYS  37          2HB       CYS  37   1.573   1.199   4.003
  222    H    GLN  38           H        GLN  38   3.974   0.911   4.249
  223    HA   GLN  38           HA       GLN  38   5.088  -1.067   4.334
  224   1HB   GLN  38          1HB       GLN  38   3.041  -1.612   2.213
  225   2HB   GLN  38          2HB       GLN  38   4.285  -2.807   2.552
  226   1HG   GLN  38          1HG       GLN  38   3.083  -1.879   4.993
  227   2HG   GLN  38          2HG       GLN  38   1.854  -2.460   3.871
  228   1HE2  GLN  38          1HE2      GLN  38   1.320  -4.366   4.742
  229   2HE2  GLN  38          2HE2      GLN  38   2.420  -5.669   5.021
  230    H    CYS  39           H        CYS  39   6.431   0.948   3.108
  231    HA   CYS  39           HA       CYS  39   7.676  -0.259   0.736
  232   1HB   CYS  39          1HB       CYS  39   8.012   2.558   1.784
  233   2HB   CYS  39          2HB       CYS  39   8.559   1.934   0.231
  234    H    ARG  40           H        ARG  40   8.291   0.827   4.000
  235    HA   ARG  40           HA       ARG  40  10.868  -0.543   3.934
  236   1HB   ARG  40          1HB       ARG  40  10.456   2.351   4.635
  237   2HB   ARG  40          2HB       ARG  40  11.790   1.435   5.324
  238   1HG   ARG  40          1HG       ARG  40  12.984   1.582   3.455
  239   2HG   ARG  40          2HG       ARG  40  11.614   1.109   2.449
  240   1HD   ARG  40          1HD       ARG  40  10.766   3.506   2.854
  241   2HD   ARG  40          2HD       ARG  40  12.414   3.845   3.382
  242    HE   ARG  40           HE       ARG  40  12.715   2.637   0.955
  243   1HH1  ARG  40          1HH1      ARG  40  10.952   5.421   2.105
  244   2HH1  ARG  40          2HH1      ARG  40  11.066   6.271   0.601
  245   1HH2  ARG  40          1HH2      ARG  40  12.866   3.754  -1.024
  246   2HH2  ARG  40          2HH2      ARG  40  12.152   5.325  -1.176
  247    H    GLY  41           H        GLY  41   8.258  -1.132   5.096
  248   1HA   GLY  41          1HA       GLY  41   8.744  -2.396   7.371
  249   2HA   GLY  41          2HA       GLY  41   8.656  -0.744   7.963
  Start of MODEL   13
    1    HN   PCA   1           HN       PCA   1  -7.472   1.294  -0.844
    2    HA   PCA   1           HA       PCA   1  -9.913   1.608  -0.460
    3   1HB   PCA   1          1HB       PCA   1 -10.806  -0.225   0.547
    4   2HB   PCA   1          2HB       PCA   1  -9.541  -0.267   1.780
    5   1HG   PCA   1          1HG       PCA   1  -9.667  -1.630  -0.822
    6   2HG   PCA   1          2HG       PCA   1  -8.687  -2.015   0.604
    7    H    THR   2           H        THR   2  -8.553   3.598   0.073
    8    HA   THR   2           HA       THR   2  -8.076   5.291   1.508
    9    HB   THR   2           HB       THR   2  -9.355   5.529   3.451
   10    HG1  THR   2           HG1      THR   2  -9.907   3.909   4.772
   11   1HG2  THR   2          1HG2      THR   2 -11.576   4.460   3.039
   12   2HG2  THR   2          2HG2      THR   2 -10.843   3.626   1.669
   13   3HG2  THR   2          3HG2      THR   2 -10.925   5.387   1.688
   14    H    CYS   3           H        CYS   3  -6.033   3.640   1.096
   15    HA   CYS   3           HA       CYS   3  -4.840   2.275   3.157
   16   1HB   CYS   3          1HB       CYS   3  -3.474   4.051   1.126
   17   2HB   CYS   3          2HB       CYS   3  -2.680   2.810   2.089
   18    H    ALA   4           H        ALA   4  -4.373   5.736   2.425
   19    HA   ALA   4           HA       ALA   4  -2.721   6.391   4.540
   20   1HB   ALA   4          1HB       ALA   4  -3.637   8.701   4.305
   21   2HB   ALA   4          2HB       ALA   4  -4.828   8.054   3.177
   22   3HB   ALA   4          3HB       ALA   4  -3.110   7.969   2.789
   23    H    SER   5           H        SER   5  -6.243   6.223   4.461
   24    HA   SER   5           HA       SER   5  -6.663   7.212   7.080
   25   1HB   SER   5          1HB       SER   5  -8.361   6.967   5.149
   26   2HB   SER   5          2HB       SER   5  -8.530   5.299   5.694
   27    HG   SER   5           HG       SER   5  -9.119   7.680   7.096
   28    H    ARG   6           H        ARG   6  -5.830   4.082   5.819
   29    HA   ARG   6           HA       ARG   6  -6.037   2.964   8.538
   30   1HB   ARG   6          1HB       ARG   6  -6.052   1.319   6.016
   31   2HB   ARG   6          2HB       ARG   6  -6.521   0.830   7.638
   32   1HG   ARG   6          1HG       ARG   6  -8.227   2.923   7.088
   33   2HG   ARG   6          2HG       ARG   6  -8.088   2.085   5.543
   34   1HD   ARG   6          1HD       ARG   6  -8.863   0.856   8.186
   35   2HD   ARG   6          2HD       ARG   6  -9.940   1.192   6.835
   36    HE   ARG   6           HE       ARG   6  -8.961  -0.582   5.636
   37   1HH1  ARG   6          1HH1      ARG   6  -7.633  -0.275   8.858
   38   2HH1  ARG   6          2HH1      ARG   6  -6.968  -1.872   8.864
   39   1HH2  ARG   6          1HH2      ARG   6  -8.083  -2.677   5.654
   40   2HH2  ARG   6          2HH2      ARG   6  -7.221  -3.233   7.049
   41    H    CYS   7           H        CYS   7  -3.803   4.447   7.367
   42    HA   CYS   7           HA       CYS   7  -1.757   2.467   6.827
   43   1HB   CYS   7          1HB       CYS   7  -1.948   5.432   6.758
   44   2HB   CYS   7          2HB       CYS   7  -0.355   4.746   7.057
   45    HA   PRO   8           HA       PRO   8   0.526   2.997   6.928
   46   1HB   PRO   8          1HB       PRO   8   2.796   1.983   7.864
   47   2HB   PRO   8          2HB       PRO   8   2.367   3.670   8.173
   48   1HG   PRO   8          1HG       PRO   8   2.225   1.314   9.994
   49   2HG   PRO   8          2HG       PRO   8   2.645   2.995  10.362
   50   1HD   PRO   8          1HD       PRO   8   0.140   1.782  10.753
   51   2HD   PRO   8          2HD       PRO   8   0.482   3.522  10.799
   52    H    ARG   9           H        ARG   9  -1.247   0.829   8.358
   53    HA   ARG   9           HA       ARG   9  -0.210  -1.381   6.735
   54   1HB   ARG   9          1HB       ARG   9  -0.646  -1.360   9.666
   55   2HB   ARG   9          2HB       ARG   9  -1.208  -2.787   8.806
   56   1HG   ARG   9          1HG       ARG   9   0.950  -3.316   8.051
   57   2HG   ARG   9          2HG       ARG   9   1.575  -1.719   8.467
   58   1HD   ARG   9          1HD       ARG   9   2.279  -3.477  10.055
   59   2HD   ARG   9          2HD       ARG   9   1.346  -2.190  10.818
   60    HE   ARG   9           HE       ARG   9  -0.405  -4.247  10.077
   61   1HH1  ARG   9          1HH1      ARG   9   2.183  -3.642  12.340
   62   2HH1  ARG   9          2HH1      ARG   9   1.582  -4.760  13.518
   63   1HH2  ARG   9          1HH2      ARG   9  -1.196  -5.718  11.625
   64   2HH2  ARG   9          2HH2      ARG   9  -0.336  -5.939  13.112
   65    HA   PRO  10           HA       PRO  10  -4.809  -0.537   6.216
   66   1HB   PRO  10          1HB       PRO  10  -4.106  -0.517   3.359
   67   2HB   PRO  10          2HB       PRO  10  -5.022   0.666   4.297
   68   1HG   PRO  10          1HG       PRO  10  -2.545   1.188   3.397
   69   2HG   PRO  10          2HG       PRO  10  -3.129   1.812   4.951
   70   1HD   PRO  10          1HD       PRO  10  -1.337  -0.527   4.401
   71   2HD   PRO  10          2HD       PRO  10  -1.211   0.716   5.664
   72    H    CYS  11           H        CYS  11  -2.758  -2.358   3.929
   73    HA   CYS  11           HA       CYS  11  -4.784  -4.446   3.767
   74   1HB   CYS  11          1HB       CYS  11  -3.173  -3.381   1.863
   75   2HB   CYS  11          2HB       CYS  11  -2.224  -4.789   2.328
   76    H    ASN  12           H        ASN  12  -3.542  -6.741   3.458
   77    HA   ASN  12           HA       ASN  12  -2.666  -7.406   6.089
   78   1HB   ASN  12          1HB       ASN  12  -2.623  -9.099   3.581
   79   2HB   ASN  12          2HB       ASN  12  -2.475  -9.688   5.234
   80   1HD2  ASN  12          1HD2      ASN  12  -4.258 -10.345   6.195
   81   2HD2  ASN  12          2HD2      ASN  12  -5.872  -9.963   5.709
   82    H    ALA  13           H        ALA  13  -0.685  -9.165   5.971
   83    HA   ALA  13           HA       ALA  13   1.625  -7.504   5.496
   84   1HB   ALA  13          1HB       ALA  13   2.704  -9.829   6.276
   85   2HB   ALA  13          2HB       ALA  13   1.070 -10.042   6.904
   86   3HB   ALA  13          3HB       ALA  13   2.033  -8.651   7.403
   87    H    GLY  14           H        GLY  14   3.205  -7.777   3.980
   88   1HA   GLY  14          1HA       GLY  14   4.384  -9.063   2.337
   89   2HA   GLY  14          2HA       GLY  14   2.931 -10.023   2.100
   90    H    LEU  15           H        LEU  15   1.296  -7.500   2.084
   91    HA   LEU  15           HA       LEU  15   1.892  -6.747  -0.697
   92   1HB   LEU  15          1HB       LEU  15  -0.733  -6.507   0.772
   93   2HB   LEU  15          2HB       LEU  15  -0.458  -6.218  -0.936
   94    HG   LEU  15           HG       LEU  15   0.372  -8.768  -0.798
   95   1HD1  LEU  15          1HD1      LEU  15  -0.026  -9.429   1.344
   96   2HD1  LEU  15          2HD1      LEU  15  -1.597  -9.799   0.634
   97   3HD1  LEU  15          3HD1      LEU  15  -1.375  -8.314   1.558
   98   1HD2  LEU  15          1HD2      LEU  15  -1.909  -9.390  -1.560
   99   2HD2  LEU  15          2HD2      LEU  15  -1.254  -7.969  -2.373
  100   3HD2  LEU  15          3HD2      LEU  15  -2.459  -7.778  -1.099
  101    H    CYS  16           H        CYS  16   1.926  -4.603  -1.311
  102    HA   CYS  16           HA       CYS  16   2.073  -2.673   0.906
  103   1HB   CYS  16          1HB       CYS  16   3.222  -2.169  -1.822
  104   2HB   CYS  16          2HB       CYS  16   3.688  -1.464  -0.279
  105    H    CYS  17           H        CYS  17   0.903  -0.800   0.850
  106    HA   CYS  17           HA       CYS  17  -1.357  -0.750  -0.933
  107   1HB   CYS  17          1HB       CYS  17  -0.737   0.304   1.636
  108   2HB   CYS  17          2HB       CYS  17  -1.176   1.656   0.597
  109    H    SER  18           H        SER  18  -1.013  -0.101  -2.958
  110    HA   SER  18           HA       SER  18   1.017   1.697  -3.753
  111   1HB   SER  18          1HB       SER  18   0.193   1.443  -5.939
  112   2HB   SER  18          2HB       SER  18  -0.230  -0.080  -5.158
  113    HG   SER  18           HG       SER  18  -2.275   0.394  -5.347
  114    H    ILE  19           H        ILE  19   0.987   3.844  -4.238
  115    HA   ILE  19           HA       ILE  19  -0.519   5.601  -2.795
  116    HB   ILE  19           HB       ILE  19   0.128   7.347  -4.445
  117   1HG1  ILE  19          1HG1      ILE  19   1.928   6.141  -6.111
  118   2HG1  ILE  19          2HG1      ILE  19   0.645   4.936  -6.058
  119   1HG2  ILE  19          1HG2      ILE  19   2.645   6.859  -4.233
  120   2HG2  ILE  19          2HG2      ILE  19   2.141   5.413  -3.358
  121   3HG2  ILE  19          3HG2      ILE  19   1.693   7.010  -2.756
  122   1HD1  ILE  19          1HD1      ILE  19   0.297   6.409  -7.920
  123   2HD1  ILE  19          2HD1      ILE  19   0.372   7.820  -6.865
  124   3HD1  ILE  19          3HD1      ILE  19  -0.967   6.681  -6.720
  125    H    TYR  20           H        TYR  20  -1.291   4.188  -5.908
  126    HA   TYR  20           HA       TYR  20  -3.355   5.872  -6.717
  127   1HB   TYR  20          1HB       TYR  20  -2.689   3.002  -7.224
  128   2HB   TYR  20          2HB       TYR  20  -4.249   3.619  -7.760
  129    HD1  TYR  20           HD1      TYR  20  -0.839   3.225  -8.605
  130    HD2  TYR  20           HD2      TYR  20  -4.174   5.802  -9.191
  131    HE1  TYR  20           HE1      TYR  20   0.225   4.133 -10.628
  132    HE2  TYR  20           HE2      TYR  20  -3.119   6.716 -11.216
  133    HH   TYR  20           HH       TYR  20  -0.365   5.279 -12.664
  134    H    GLY  21           H        GLY  21  -3.253   3.563  -4.155
  135   1HA   GLY  21          1HA       GLY  21  -4.890   3.727  -2.392
  136   2HA   GLY  21          2HA       GLY  21  -6.095   4.118  -3.610
  137    H    TYR  22           H        TYR  22  -3.697   1.512  -3.640
  138    HA   TYR  22           HA       TYR  22  -5.659  -0.498  -3.007
  139   1HB   TYR  22          1HB       TYR  22  -4.635  -0.175  -5.826
  140   2HB   TYR  22          2HB       TYR  22  -5.279  -1.700  -5.224
  141    HD1  TYR  22           HD1      TYR  22  -6.083   1.666  -6.347
  142    HD2  TYR  22           HD2      TYR  22  -7.663  -1.891  -4.629
  143    HE1  TYR  22           HE1      TYR  22  -8.358   2.420  -6.893
  144    HE2  TYR  22           HE2      TYR  22  -9.943  -1.147  -5.172
  145    HH   TYR  22           HH       TYR  22 -11.122   1.017  -5.594
  146    H    CYS  23           H        CYS  23  -4.716  -2.274  -2.179
  147    HA   CYS  23           HA       CYS  23  -1.808  -2.312  -2.065
  148   1HB   CYS  23          1HB       CYS  23  -2.164  -4.111  -0.365
  149   2HB   CYS  23          2HB       CYS  23  -2.934  -2.582   0.045
  150    H    GLY  24           H        GLY  24  -0.558  -4.177  -2.549
  151   1HA   GLY  24          1HA       GLY  24  -1.645  -6.517  -3.721
  152   2HA   GLY  24          2HA       GLY  24  -1.130  -5.404  -4.979
  153    H    SER  25           H        SER  25   0.652  -6.349  -5.784
  154    HA   SER  25           HA       SER  25   2.966  -6.551  -4.029
  155   1HB   SER  25          1HB       SER  25   1.517  -8.860  -5.011
  156   2HB   SER  25          2HB       SER  25   3.177  -8.858  -5.608
  157    HG   SER  25           HG       SER  25   2.828  -9.872  -3.506
  158    H    GLY  26           H        GLY  26   4.776  -7.673  -5.711
  159   1HA   GLY  26          1HA       GLY  26   6.115  -7.261  -7.533
  160   2HA   GLY  26          2HA       GLY  26   4.665  -6.751  -8.386
  161    H    ALA  27           H        ALA  27   6.097  -5.159  -9.370
  162    HA   ALA  27           HA       ALA  27   7.151  -3.050  -7.710
  163   1HB   ALA  27          1HB       ALA  27   8.523  -3.210  -9.500
  164   2HB   ALA  27          2HB       ALA  27   7.388  -2.044 -10.181
  165   3HB   ALA  27          3HB       ALA  27   7.237  -3.757 -10.577
  166    H    ALA  28           H        ALA  28   4.242  -3.666  -9.497
  167    HA   ALA  28           HA       ALA  28   3.361  -1.015  -9.857
  168   1HB   ALA  28          1HB       ALA  28   1.739  -3.540  -9.562
  169   2HB   ALA  28          2HB       ALA  28   2.375  -2.878 -11.068
  170   3HB   ALA  28          3HB       ALA  28   1.137  -1.999 -10.171
  171    H    TYR  29           H        TYR  29   3.103  -3.250  -7.159
  172    HA   TYR  29           HA       TYR  29   1.656  -1.193  -5.632
  173   1HB   TYR  29          1HB       TYR  29   1.877  -4.171  -5.160
  174   2HB   TYR  29          2HB       TYR  29   1.053  -3.048  -4.084
  175    HD1  TYR  29           HD1      TYR  29  -1.190  -2.478  -4.455
  176    HD2  TYR  29           HD2      TYR  29   1.023  -4.366  -7.560
  177    HE1  TYR  29           HE1      TYR  29  -3.257  -2.739  -5.762
  178    HE2  TYR  29           HE2      TYR  29  -1.037  -4.631  -8.876
  179    HH   TYR  29           HH       TYR  29  -3.365  -3.326  -8.935
  180    H    CYS  30           H        CYS  30   4.427  -3.361  -5.575
  181    HA   CYS  30           HA       CYS  30   5.439  -1.914  -3.216
  182   1HB   CYS  30          1HB       CYS  30   6.139  -4.702  -4.161
  183   2HB   CYS  30          2HB       CYS  30   6.819  -3.901  -2.750
  184    H    GLY  31           H        GLY  31   5.770  -0.640  -5.578
  185   1HA   GLY  31          1HA       GLY  31   8.457  -1.300  -6.549
  186   2HA   GLY  31          2HA       GLY  31   7.330  -0.189  -7.311
  187    H    ALA  32           H        ALA  32   9.038   1.350  -7.459
  188    HA   ALA  32           HA       ALA  32   9.833   2.550  -4.893
  189   1HB   ALA  32          1HB       ALA  32  11.599   3.694  -6.307
  190   2HB   ALA  32          2HB       ALA  32  11.121   2.604  -7.609
  191   3HB   ALA  32          3HB       ALA  32  11.766   1.951  -6.103
  192    H    GLY  33           H        GLY  33   8.688   4.270  -4.316
  193   1HA   GLY  33          1HA       GLY  33   7.795   6.400  -4.458
  194   2HA   GLY  33          2HA       GLY  33   8.287   6.455  -6.143
  195    H    ASN  34           H        ASN  34   6.506   3.668  -5.452
  196    HA   ASN  34           HA       ASN  34   4.077   4.921  -6.550
  197   1HB   ASN  34          1HB       ASN  34   5.170   2.125  -6.887
  198   2HB   ASN  34          2HB       ASN  34   3.543   2.589  -7.372
  199   1HD2  ASN  34          1HD2      ASN  34   4.650   1.707  -9.407
  200   2HD2  ASN  34          2HD2      ASN  34   5.374   2.892 -10.434
  201    H    CYS  35           H        CYS  35   5.387   2.845  -4.072
  202    HA   CYS  35           HA       CYS  35   2.792   2.093  -3.047
  203   1HB   CYS  35          1HB       CYS  35   4.067   0.946  -1.286
  204   2HB   CYS  35          2HB       CYS  35   4.655   0.518  -2.889
  205    H    ARG  36           H        ARG  36   1.653   3.130  -1.535
  206    HA   ARG  36           HA       ARG  36   2.626   5.637  -0.501
  207   1HB   ARG  36          1HB       ARG  36   0.180   4.875  -1.196
  208   2HB   ARG  36          2HB       ARG  36   0.101   4.403   0.494
  209   1HG   ARG  36          1HG       ARG  36   0.018   6.527   1.223
  210   2HG   ARG  36          2HG       ARG  36   1.144   7.105  -0.006
  211   1HD   ARG  36          1HD       ARG  36  -1.194   7.994  -0.199
  212   2HD   ARG  36          2HD       ARG  36  -0.570   7.208  -1.648
  213    HE   ARG  36           HE       ARG  36  -1.884   5.213  -0.377
  214   1HH1  ARG  36          1HH1      ARG  36  -2.791   8.446  -1.327
  215   2HH1  ARG  36          2HH1      ARG  36  -4.461   8.046  -1.551
  216   1HH2  ARG  36          1HH2      ARG  36  -4.080   4.685  -0.672
  217   2HH2  ARG  36          2HH2      ARG  36  -5.193   5.912  -1.179
  218    H    CYS  37           H        CYS  37   1.453   2.615   0.986
  219    HA   CYS  37           HA       CYS  37   3.188   3.195   3.295
  220   1HB   CYS  37          1HB       CYS  37   0.309   2.354   3.249
  221   2HB   CYS  37          2HB       CYS  37   1.338   1.884   4.598
  222    H    GLN  38           H        GLN  38   3.726   1.243   4.578
  223    HA   GLN  38           HA       GLN  38   4.621  -0.838   4.752
  224   1HB   GLN  38          1HB       GLN  38   2.259  -1.284   2.991
  225   2HB   GLN  38          2HB       GLN  38   3.436  -2.583   3.128
  226   1HG   GLN  38          1HG       GLN  38   3.014  -1.820   5.743
  227   2HG   GLN  38          2HG       GLN  38   1.417  -1.690   5.008
  228   1HE2  GLN  38          1HE2      GLN  38   0.336  -3.438   5.588
  229   2HE2  GLN  38          2HE2      GLN  38   0.901  -5.066   5.463
  230    H    CYS  39           H        CYS  39   6.048   0.885   3.228
  231    HA   CYS  39           HA       CYS  39   6.792  -0.486   0.764
  232   1HB   CYS  39          1HB       CYS  39   7.738   2.126   1.959
  233   2HB   CYS  39          2HB       CYS  39   8.284   1.477   0.417
  234    H    ARG  40           H        ARG  40   7.950   0.049   4.003
  235    HA   ARG  40           HA       ARG  40  10.496  -1.257   3.345
  236   1HB   ARG  40          1HB       ARG  40   9.787   0.889   5.092
  237   2HB   ARG  40          2HB       ARG  40  10.431  -0.425   6.066
  238   1HG   ARG  40          1HG       ARG  40  12.503   0.036   5.436
  239   2HG   ARG  40          2HG       ARG  40  12.057  -0.022   3.730
  240   1HD   ARG  40          1HD       ARG  40  11.065   2.330   4.160
  241   2HD   ARG  40          2HD       ARG  40  12.081   2.317   5.602
  242    HE   ARG  40           HE       ARG  40  13.806   1.642   3.637
  243   1HH1  ARG  40          1HH1      ARG  40  11.534   4.265   4.004
  244   2HH1  ARG  40          2HH1      ARG  40  12.471   5.375   3.062
  245   1HH2  ARG  40          1HH2      ARG  40  15.041   3.101   2.398
  246   2HH2  ARG  40          2HH2      ARG  40  14.462   4.714   2.150
  247    H    GLY  41           H        GLY  41   7.883  -2.627   3.613
  248   1HA   GLY  41          1HA       GLY  41   8.496  -5.016   4.637
  249   2HA   GLY  41          2HA       GLY  41   8.118  -4.118   6.099
  Start of MODEL   14
    1    HN   PCA   1           HN       PCA   1  -8.970   2.537  -1.563
    2    HA   PCA   1           HA       PCA   1  -8.550   4.795  -2.522
    3   1HB   PCA   1          1HB       PCA   1 -10.512   5.837  -3.000
    4   2HB   PCA   1          2HB       PCA   1 -11.178   5.493  -1.401
    5   1HG   PCA   1          1HG       PCA   1 -11.405   3.954  -3.895
    6   2HG   PCA   1          2HG       PCA   1 -12.418   3.896  -2.441
    7    H    THR   2           H        THR   2  -9.889   3.509   0.443
    8    HA   THR   2           HA       THR   2  -8.735   5.738   1.968
    9    HB   THR   2           HB       THR   2 -10.062   4.778   3.875
   10    HG1  THR   2           HG1      THR   2 -11.397   3.123   3.539
   11   1HG2  THR   2          1HG2      THR   2 -11.191   6.558   2.972
   12   2HG2  THR   2          2HG2      THR   2 -12.362   5.255   2.773
   13   3HG2  THR   2          3HG2      THR   2 -11.384   5.779   1.402
   14    H    CYS   3           H        CYS   3  -7.202   3.530   0.748
   15    HA   CYS   3           HA       CYS   3  -6.414   1.669   2.718
   16   1HB   CYS   3          1HB       CYS   3  -5.984   1.312   0.336
   17   2HB   CYS   3          2HB       CYS   3  -4.898   2.697   0.310
   18    H    ALA   4           H        ALA   4  -4.978   4.748   1.669
   19    HA   ALA   4           HA       ALA   4  -2.755   4.733   3.354
   20   1HB   ALA   4          1HB       ALA   4  -2.457   6.968   2.794
   21   2HB   ALA   4          2HB       ALA   4  -4.190   7.269   2.661
   22   3HB   ALA   4          3HB       ALA   4  -3.360   6.328   1.421
   23    H    SER   5           H        SER   5  -6.086   5.239   4.080
   24    HA   SER   5           HA       SER   5  -5.766   6.766   6.452
   25   1HB   SER   5          1HB       SER   5  -7.900   6.193   4.951
   26   2HB   SER   5          2HB       SER   5  -8.099   4.937   6.172
   27    HG   SER   5           HG       SER   5  -7.826   6.735   7.727
   28    H    ARG   6           H        ARG   6  -5.363   3.417   5.728
   29    HA   ARG   6           HA       ARG   6  -5.413   2.730   8.582
   30   1HB   ARG   6          1HB       ARG   6  -5.485   1.014   6.101
   31   2HB   ARG   6          2HB       ARG   6  -5.299   0.356   7.722
   32   1HG   ARG   6          1HG       ARG   6  -7.515   0.241   7.785
   33   2HG   ARG   6          2HG       ARG   6  -7.503   1.997   7.948
   34   1HD   ARG   6          1HD       ARG   6  -9.000   1.302   6.157
   35   2HD   ARG   6          2HD       ARG   6  -7.640   2.224   5.518
   36    HE   ARG   6           HE       ARG   6  -6.964   0.366   4.366
   37   1HH1  ARG   6          1HH1      ARG   6  -9.293  -0.589   6.783
   38   2HH1  ARG   6          2HH1      ARG   6  -9.409  -2.218   6.207
   39   1HH2  ARG   6          1HH2      ARG   6  -7.117  -1.775   3.606
   40   2HH2  ARG   6          2HH2      ARG   6  -8.173  -2.892   4.403
   41    H    CYS   7           H        CYS   7  -3.240   4.205   7.176
   42    HA   CYS   7           HA       CYS   7  -1.006   2.472   6.876
   43   1HB   CYS   7          1HB       CYS   7  -1.503   5.042   6.182
   44   2HB   CYS   7          2HB       CYS   7  -0.533   5.303   7.625
   45    HA   PRO   8           HA       PRO   8   0.914   2.180   7.148
   46   1HB   PRO   8          1HB       PRO   8   2.981   0.955   8.289
   47   2HB   PRO   8          2HB       PRO   8   2.848   2.717   8.316
   48   1HG   PRO   8          1HG       PRO   8   2.438   0.763  10.502
   49   2HG   PRO   8          2HG       PRO   8   2.934   2.460  10.588
   50   1HD   PRO   8          1HD       PRO   8   0.305   1.358  10.965
   51   2HD   PRO   8          2HD       PRO   8   0.802   3.059  11.053
   52    H    ARG   9           H        ARG   9  -1.216   0.590   8.804
   53    HA   ARG   9           HA       ARG   9  -0.429  -2.037   7.735
   54   1HB   ARG   9          1HB       ARG   9  -0.726  -1.419  10.436
   55   2HB   ARG   9          2HB       ARG   9  -2.219  -2.244  10.014
   56   1HG   ARG   9          1HG       ARG   9   0.258  -3.500   9.041
   57   2HG   ARG   9          2HG       ARG   9   0.020  -3.500  10.789
   58   1HD   ARG   9          1HD       ARG   9  -2.455  -4.211   9.694
   59   2HD   ARG   9          2HD       ARG   9  -1.254  -5.102   8.762
   60    HE   ARG   9           HE       ARG   9  -0.632  -6.258  10.687
   61   1HH1  ARG   9          1HH1      ARG   9  -3.095  -3.884  11.402
   62   2HH1  ARG   9          2HH1      ARG   9  -3.481  -4.573  12.941
   63   1HH2  ARG   9          1HH2      ARG   9  -1.143  -7.157  12.711
   64   2HH2  ARG   9          2HH2      ARG   9  -2.374  -6.427  13.685
   65    HA   PRO  10           HA       PRO  10  -4.652  -0.816   6.195
   66   1HB   PRO  10          1HB       PRO  10  -4.117  -0.632   3.577
   67   2HB   PRO  10          2HB       PRO  10  -3.792   0.709   4.682
   68   1HG   PRO  10          1HG       PRO  10  -1.901  -1.296   3.525
   69   2HG   PRO  10          2HG       PRO  10  -1.676   0.444   3.772
   70   1HD   PRO  10          1HD       PRO  10  -0.700  -1.511   5.455
   71   2HD   PRO  10          2HD       PRO  10  -1.015   0.166   5.940
   72    H    CYS  11           H        CYS  11  -2.266  -3.151   5.129
   73    HA   CYS  11           HA       CYS  11  -4.429  -5.077   4.667
   74   1HB   CYS  11          1HB       CYS  11  -2.259  -4.296   2.762
   75   2HB   CYS  11          2HB       CYS  11  -2.828  -5.962   2.771
   76    H    ASN  12           H        ASN  12  -3.251  -7.342   4.225
   77    HA   ASN  12           HA       ASN  12  -1.887  -7.937   6.669
   78   1HB   ASN  12          1HB       ASN  12  -2.342  -9.742   4.285
   79   2HB   ASN  12          2HB       ASN  12  -1.952 -10.245   5.927
   80   1HD2  ASN  12          1HD2      ASN  12  -3.927 -11.541   5.517
   81   2HD2  ASN  12          2HD2      ASN  12  -5.450 -10.830   5.915
   82    H    ALA  13           H        ALA  13  -0.033  -9.819   6.103
   83    HA   ALA  13           HA       ALA  13   2.190  -8.217   5.218
   84   1HB   ALA  13          1HB       ALA  13   1.968 -10.140   7.088
   85   2HB   ALA  13          2HB       ALA  13   3.496  -9.675   6.342
   86   3HB   ALA  13          3HB       ALA  13   2.618 -11.085   5.749
   87    H    GLY  14           H        GLY  14   3.294  -8.353   3.340
   88   1HA   GLY  14          1HA       GLY  14   4.087  -9.599   1.434
   89   2HA   GLY  14          2HA       GLY  14   2.597 -10.529   1.481
   90    H    LEU  15           H        LEU  15   1.011  -8.044   1.927
   91    HA   LEU  15           HA       LEU  15   1.039  -7.109  -0.862
   92   1HB   LEU  15          1HB       LEU  15  -1.260  -6.942   1.079
   93   2HB   LEU  15          2HB       LEU  15  -1.304  -6.663  -0.652
   94    HG   LEU  15           HG       LEU  15  -0.416  -9.226  -0.589
   95   1HD1  LEU  15          1HD1      LEU  15  -2.553  -9.429   1.428
   96   2HD1  LEU  15          2HD1      LEU  15  -0.982  -8.888   2.018
   97   3HD1  LEU  15          3HD1      LEU  15  -1.124 -10.432   1.178
   98   1HD2  LEU  15          1HD2      LEU  15  -2.535  -9.823  -1.392
   99   2HD2  LEU  15          2HD2      LEU  15  -2.358  -8.121  -1.819
  100   3HD2  LEU  15          3HD2      LEU  15  -3.344  -8.584  -0.432
  101    H    CYS  16           H        CYS  16   1.670  -5.095  -1.221
  102    HA   CYS  16           HA       CYS  16   1.818  -3.232   1.032
  103   1HB   CYS  16          1HB       CYS  16   3.023  -3.000  -1.733
  104   2HB   CYS  16          2HB       CYS  16   3.332  -1.928  -0.371
  105    H    CYS  17           H        CYS  17   1.222  -0.974   0.685
  106    HA   CYS  17           HA       CYS  17  -1.265  -0.800  -0.836
  107   1HB   CYS  17          1HB       CYS  17  -1.240  -0.133   1.555
  108   2HB   CYS  17          2HB       CYS  17  -0.094   1.143   1.163
  109    H    SER  18           H        SER  18  -1.258   0.055  -2.795
  110    HA   SER  18           HA       SER  18   1.004   1.546  -3.768
  111   1HB   SER  18          1HB       SER  18  -0.132  -0.066  -5.226
  112   2HB   SER  18          2HB       SER  18  -1.625   0.865  -5.108
  113    HG   SER  18           HG       SER  18  -0.823   1.752  -6.859
  114    H    ILE  19           H        ILE  19   1.127   3.683  -4.249
  115    HA   ILE  19           HA       ILE  19  -0.152   5.583  -2.783
  116    HB   ILE  19           HB       ILE  19   0.454   7.215  -4.625
  117   1HG1  ILE  19          1HG1      ILE  19   2.223   5.437  -6.016
  118   2HG1  ILE  19          2HG1      ILE  19   0.583   4.805  -6.124
  119   1HG2  ILE  19          1HG2      ILE  19   1.941   6.106  -2.690
  120   2HG2  ILE  19          2HG2      ILE  19   2.555   7.329  -3.803
  121   3HG2  ILE  19          3HG2      ILE  19   2.882   5.621  -4.100
  122   1HD1  ILE  19          1HD1      ILE  19  -0.119   6.489  -7.443
  123   2HD1  ILE  19          2HD1      ILE  19   1.597   6.579  -7.841
  124   3HD1  ILE  19          3HD1      ILE  19   0.908   7.686  -6.653
  125    H    TYR  20           H        TYR  20  -1.267   4.131  -5.765
  126    HA   TYR  20           HA       TYR  20  -3.233   5.957  -6.507
  127   1HB   TYR  20          1HB       TYR  20  -2.485   3.279  -7.206
  128   2HB   TYR  20          2HB       TYR  20  -4.236   3.357  -7.042
  129    HD1  TYR  20           HD1      TYR  20  -1.403   5.196  -8.636
  130    HD2  TYR  20           HD2      TYR  20  -5.499   4.065  -8.850
  131    HE1  TYR  20           HE1      TYR  20  -1.559   6.209 -10.871
  132    HE2  TYR  20           HE2      TYR  20  -5.666   5.074 -11.087
  133    HH   TYR  20           HH       TYR  20  -3.255   7.112 -12.370
  134    H    GLY  21           H        GLY  21  -3.128   3.780  -3.838
  135   1HA   GLY  21          1HA       GLY  21  -4.595   4.124  -1.971
  136   2HA   GLY  21          2HA       GLY  21  -5.848   4.623  -3.099
  137    H    TYR  22           H        TYR  22  -3.777   1.784  -3.400
  138    HA   TYR  22           HA       TYR  22  -5.861  -0.003  -2.498
  139   1HB   TYR  22          1HB       TYR  22  -5.225   0.367  -5.401
  140   2HB   TYR  22          2HB       TYR  22  -5.668  -1.233  -4.813
  141    HD1  TYR  22           HD1      TYR  22  -6.848   2.158  -5.489
  142    HD2  TYR  22           HD2      TYR  22  -7.920  -1.672  -3.977
  143    HE1  TYR  22           HE1      TYR  22  -9.225   2.768  -5.644
  144    HE2  TYR  22           HE2      TYR  22 -10.300  -1.072  -4.128
  145    HH   TYR  22           HH       TYR  22 -11.709   0.863  -4.226
  146    H    CYS  23           H        CYS  23  -5.122  -2.052  -2.030
  147    HA   CYS  23           HA       CYS  23  -2.294  -2.312  -1.678
  148   1HB   CYS  23          1HB       CYS  23  -4.619  -4.158  -1.142
  149   2HB   CYS  23          2HB       CYS  23  -2.950  -4.631  -0.840
  150    H    GLY  24           H        GLY  24  -1.320  -4.586  -2.246
  151   1HA   GLY  24          1HA       GLY  24  -2.060  -6.108  -4.402
  152   2HA   GLY  24          2HA       GLY  24  -1.259  -4.714  -5.109
  153    H    SER  25           H        SER  25   0.463  -5.906  -5.921
  154    HA   SER  25           HA       SER  25   2.518  -6.516  -3.962
  155   1HB   SER  25          1HB       SER  25   2.942  -8.757  -4.733
  156   2HB   SER  25          2HB       SER  25   1.234  -8.650  -4.306
  157    HG   SER  25           HG       SER  25   0.716  -8.534  -6.466
  158    H    GLY  26           H        GLY  26   4.409  -7.659  -5.524
  159   1HA   GLY  26          1HA       GLY  26   6.027  -7.174  -7.077
  160   2HA   GLY  26          2HA       GLY  26   4.718  -6.625  -8.114
  161    H    ALA  27           H        ALA  27   6.376  -5.068  -8.821
  162    HA   ALA  27           HA       ALA  27   7.132  -2.982  -6.975
  163   1HB   ALA  27          1HB       ALA  27   7.762  -3.689  -9.773
  164   2HB   ALA  27          2HB       ALA  27   8.824  -3.169  -8.465
  165   3HB   ALA  27          3HB       ALA  27   7.866  -1.981  -9.348
  166    H    ALA  28           H        ALA  28   4.676  -3.513  -9.390
  167    HA   ALA  28           HA       ALA  28   3.904  -0.882  -9.911
  168   1HB   ALA  28          1HB       ALA  28   2.451  -3.498  -9.991
  169   2HB   ALA  28          2HB       ALA  28   2.972  -2.469 -11.325
  170   3HB   ALA  28          3HB       ALA  28   1.606  -1.985 -10.320
  171    H    TYR  29           H        TYR  29   3.111  -3.024  -7.244
  172    HA   TYR  29           HA       TYR  29   1.500  -0.877  -6.035
  173   1HB   TYR  29          1HB       TYR  29   1.473  -3.865  -5.611
  174   2HB   TYR  29          2HB       TYR  29   0.645  -2.741  -4.537
  175    HD1  TYR  29           HD1      TYR  29   0.693  -4.194  -7.912
  176    HD2  TYR  29           HD2      TYR  29  -1.380  -1.629  -5.224
  177    HE1  TYR  29           HE1      TYR  29  -1.259  -4.216  -9.407
  178    HE2  TYR  29           HE2      TYR  29  -3.339  -1.646  -6.711
  179    HH   TYR  29           HH       TYR  29  -3.642  -3.828  -9.330
  180    H    CYS  30           H        CYS  30   4.279  -2.931  -5.631
  181    HA   CYS  30           HA       CYS  30   4.915  -1.496  -3.140
  182   1HB   CYS  30          1HB       CYS  30   4.249  -3.999  -2.932
  183   2HB   CYS  30          2HB       CYS  30   5.837  -4.316  -3.622
  184    H    GLY  31           H        GLY  31   5.757  -0.419  -5.439
  185   1HA   GLY  31          1HA       GLY  31   8.615  -1.164  -5.538
  186   2HA   GLY  31          2HA       GLY  31   7.721  -0.698  -6.977
  187    H    ALA  32           H        ALA  32   9.981   0.645  -6.470
  188    HA   ALA  32           HA       ALA  32   9.810   2.892  -4.809
  189   1HB   ALA  32          1HB       ALA  32  11.440   3.799  -6.732
  190   2HB   ALA  32          2HB       ALA  32  11.486   2.075  -7.101
  191   3HB   ALA  32          3HB       ALA  32  11.951   2.646  -5.498
  192    H    GLY  33           H        GLY  33   8.627   4.681  -4.919
  193   1HA   GLY  33          1HA       GLY  33   7.519   6.494  -5.837
  194   2HA   GLY  33          2HA       GLY  33   7.971   5.918  -7.433
  195    H    ASN  34           H        ASN  34   6.580   3.365  -5.844
  196    HA   ASN  34           HA       ASN  34   3.846   4.100  -6.601
  197   1HB   ASN  34          1HB       ASN  34   5.398   1.713  -7.591
  198   2HB   ASN  34          2HB       ASN  34   3.637   1.741  -7.582
  199   1HD2  ASN  34          1HD2      ASN  34   4.797   1.384  -9.933
  200   2HD2  ASN  34          2HD2      ASN  34   4.701   2.805 -10.911
  201    H    CYS  35           H        CYS  35   5.006   3.934  -4.018
  202    HA   CYS  35           HA       CYS  35   3.294   1.857  -2.883
  203   1HB   CYS  35          1HB       CYS  35   5.065   1.161  -1.300
  204   2HB   CYS  35          2HB       CYS  35   5.481   0.800  -2.972
  205    H    ARG  36           H        ARG  36   1.925   2.988  -1.672
  206    HA   ARG  36           HA       ARG  36   2.683   5.490  -0.459
  207   1HB   ARG  36          1HB       ARG  36   0.294   4.383  -1.320
  208   2HB   ARG  36          2HB       ARG  36   0.146   4.354   0.432
  209   1HG   ARG  36          1HG       ARG  36   0.785   6.787   0.416
  210   2HG   ARG  36          2HG       ARG  36   0.608   6.736  -1.339
  211   1HD   ARG  36          1HD       ARG  36  -1.727   5.695  -0.759
  212   2HD   ARG  36          2HD       ARG  36  -1.467   6.494   0.791
  213    HE   ARG  36           HE       ARG  36  -0.974   8.458  -0.996
  214   1HH1  ARG  36          1HH1      ARG  36  -3.638   6.243  -0.577
  215   2HH1  ARG  36          2HH1      ARG  36  -4.815   7.340  -1.217
  216   1HH2  ARG  36          1HH2      ARG  36  -2.521   9.904  -1.838
  217   2HH2  ARG  36          2HH2      ARG  36  -4.181   9.418  -1.934
  218    H    CYS  37           H        CYS  37   1.273   2.505   0.892
  219    HA   CYS  37           HA       CYS  37   2.810   3.013   3.356
  220   1HB   CYS  37          1HB       CYS  37   0.078   1.751   3.050
  221   2HB   CYS  37          2HB       CYS  37   0.982   1.811   4.558
  222    H    GLN  38           H        GLN  38   3.462   1.118   4.567
  223    HA   GLN  38           HA       GLN  38   4.472  -0.907   4.768
  224   1HB   GLN  38          1HB       GLN  38   2.177  -1.489   2.957
  225   2HB   GLN  38          2HB       GLN  38   3.422  -2.719   3.124
  226   1HG   GLN  38          1HG       GLN  38   3.098  -2.616   5.589
  227   2HG   GLN  38          2HG       GLN  38   1.736  -1.532   5.312
  228   1HE2  GLN  38          1HE2      GLN  38   2.980  -4.752   4.616
  229   2HE2  GLN  38          2HE2      GLN  38   1.437  -5.509   4.440
  230    H    CYS  39           H        CYS  39   5.828   0.892   3.261
  231    HA   CYS  39           HA       CYS  39   6.907  -0.713   1.038
  232   1HB   CYS  39          1HB       CYS  39   5.879   1.543   0.481
  233   2HB   CYS  39          2HB       CYS  39   7.219   2.271   1.362
  234    H    ARG  40           H        ARG  40   7.691   1.251   3.841
  235    HA   ARG  40           HA       ARG  40  10.530   0.937   3.541
  236   1HB   ARG  40          1HB       ARG  40   9.032   2.746   4.849
  237   2HB   ARG  40          2HB       ARG  40   9.390   1.658   6.183
  238   1HG   ARG  40          1HG       ARG  40  11.048   3.335   6.212
  239   2HG   ARG  40          2HG       ARG  40  11.819   1.882   5.574
  240   1HD   ARG  40          1HD       ARG  40  11.424   2.754   3.279
  241   2HD   ARG  40          2HD       ARG  40  10.811   4.244   3.994
  242    HE   ARG  40           HE       ARG  40  12.966   4.889   4.394
  243   1HH1  ARG  40          1HH1      ARG  40  12.928   1.454   3.780
  244   2HH1  ARG  40          2HH1      ARG  40  14.654   1.313   3.754
  245   1HH2  ARG  40          1HH2      ARG  40  15.236   4.706   4.360
  246   2HH2  ARG  40          2HH2      ARG  40  15.964   3.159   4.084
  247    H    GLY  41           H        GLY  41   7.957  -0.696   5.265
  248   1HA   GLY  41          1HA       GLY  41   9.957  -2.563   6.383
  249   2HA   GLY  41          2HA       GLY  41   8.409  -2.216   7.138
  Start of MODEL   15
    1    HN   PCA   1           HN       PCA   1  -7.649   1.229  -2.130
    2    HA   PCA   1           HA       PCA   1  -9.890   1.941  -1.606
    3   1HB   PCA   1          1HB       PCA   1 -10.938  -0.037  -1.221
    4   2HB   PCA   1          2HB       PCA   1 -10.412   0.150   0.455
    5   1HG   PCA   1          1HG       PCA   1  -9.615  -1.884  -1.256
    6   2HG   PCA   1          2HG       PCA   1  -8.761  -1.392   0.217
    7    H    THR   2           H        THR   2  -8.128   3.566  -0.863
    8    HA   THR   2           HA       THR   2  -7.343   4.987   0.729
    9    HB   THR   2           HB       THR   2  -8.758   5.495   2.533
   10    HG1  THR   2           HG1      THR   2 -10.226   3.948   3.385
   11   1HG2  THR   2          1HG2      THR   2 -11.064   4.330   1.336
   12   2HG2  THR   2          2HG2      THR   2  -9.977   4.907   0.072
   13   3HG2  THR   2          3HG2      THR   2 -10.532   6.012   1.330
   14    H    CYS   3           H        CYS   3  -6.034   2.503   0.481
   15    HA   CYS   3           HA       CYS   3  -5.551   1.212   2.927
   16   1HB   CYS   3          1HB       CYS   3  -3.392   0.483   1.802
   17   2HB   CYS   3          2HB       CYS   3  -4.882   0.085   0.954
   18    H    ALA   4           H        ALA   4  -4.353   4.202   1.634
   19    HA   ALA   4           HA       ALA   4  -2.048   4.400   3.297
   20   1HB   ALA   4          1HB       ALA   4  -3.542   6.708   2.078
   21   2HB   ALA   4          2HB       ALA   4  -2.464   5.666   1.149
   22   3HB   ALA   4          3HB       ALA   4  -1.831   6.613   2.495
   23    H    SER   5           H        SER   5  -5.419   5.227   3.662
   24    HA   SER   5           HA       SER   5  -5.116   6.924   5.921
   25   1HB   SER   5          1HB       SER   5  -7.513   6.795   6.129
   26   2HB   SER   5          2HB       SER   5  -7.117   6.887   4.413
   27    HG   SER   5           HG       SER   5  -7.675   4.812   4.154
   28    H    ARG   6           H        ARG   6  -4.808   3.562   5.581
   29    HA   ARG   6           HA       ARG   6  -5.390   3.154   8.437
   30   1HB   ARG   6          1HB       ARG   6  -5.528   1.341   6.063
   31   2HB   ARG   6          2HB       ARG   6  -5.233   0.654   7.654
   32   1HG   ARG   6          1HG       ARG   6  -7.300   1.579   8.484
   33   2HG   ARG   6          2HG       ARG   6  -7.582   2.399   6.947
   34   1HD   ARG   6          1HD       ARG   6  -8.598   0.589   6.162
   35   2HD   ARG   6          2HD       ARG   6  -7.127  -0.351   6.404
   36    HE   ARG   6           HE       ARG   6  -8.144  -1.348   8.178
   37   1HH1  ARG   6          1HH1      ARG   6  -9.708   1.722   7.619
   38   2HH1  ARG   6          2HH1      ARG   6 -10.909   1.474   8.841
   39   1HH2  ARG   6          1HH2      ARG   6  -9.723  -1.676   9.785
   40   2HH2  ARG   6          2HH2      ARG   6 -10.919  -0.455  10.071
   41    H    CYS   7           H        CYS   7  -2.907   4.264   7.204
   42    HA   CYS   7           HA       CYS   7  -0.830   2.354   7.318
   43   1HB   CYS   7          1HB       CYS   7  -1.053   5.058   6.697
   44   2HB   CYS   7          2HB       CYS   7  -0.042   5.049   8.136
   45    HA   PRO   8           HA       PRO   8   1.109   2.122   7.863
   46   1HB   PRO   8          1HB       PRO   8   3.010   0.930   9.286
   47   2HB   PRO   8          2HB       PRO   8   2.830   2.688   9.317
   48   1HG   PRO   8          1HG       PRO   8   2.146   0.687  11.389
   49   2HG   PRO   8          2HG       PRO   8   2.582   2.393  11.573
   50   1HD   PRO   8          1HD       PRO   8  -0.049   1.225  11.526
   51   2HD   PRO   8          2HD       PRO   8   0.388   2.933  11.724
   52    H    ARG   9           H        ARG   9  -1.193   0.469   9.229
   53    HA   ARG   9           HA       ARG   9  -0.310  -2.088   8.093
   54   1HB   ARG   9          1HB       ARG   9  -1.588  -3.210  10.009
   55   2HB   ARG   9          2HB       ARG   9  -0.006  -2.536  10.377
   56   1HG   ARG   9          1HG       ARG   9  -0.894  -0.773  11.587
   57   2HG   ARG   9          2HG       ARG   9  -2.478  -0.916  10.821
   58   1HD   ARG   9          1HD       ARG   9  -2.691  -1.736  13.045
   59   2HD   ARG   9          2HD       ARG   9  -2.731  -3.129  11.965
   60    HE   ARG   9           HE       ARG   9  -0.092  -2.786  12.744
   61   1HH1  ARG   9          1HH1      ARG   9  -3.153  -3.517  14.252
   62   2HH1  ARG   9          2HH1      ARG   9  -2.444  -4.447  15.528
   63   1HH2  ARG   9          1HH2      ARG   9   0.843  -4.010  14.421
   64   2HH2  ARG   9          2HH2      ARG   9  -0.175  -4.727  15.625
   65    HA   PRO  10           HA       PRO  10  -4.592  -0.918   6.746
   66   1HB   PRO  10          1HB       PRO  10  -4.148  -0.477   4.151
   67   2HB   PRO  10          2HB       PRO  10  -3.792   0.755   5.367
   68   1HG   PRO  10          1HG       PRO  10  -1.929  -1.096   3.944
   69   2HG   PRO  10          2HG       PRO  10  -1.708   0.610   4.368
   70   1HD   PRO  10          1HD       PRO  10  -0.685  -1.534   5.801
   71   2HD   PRO  10          2HD       PRO  10  -0.923   0.101   6.445
   72    H    CYS  11           H        CYS  11  -2.245  -2.825   4.858
   73    HA   CYS  11           HA       CYS  11  -4.380  -4.771   4.298
   74   1HB   CYS  11          1HB       CYS  11  -1.900  -3.981   2.806
   75   2HB   CYS  11          2HB       CYS  11  -2.613  -5.570   2.549
   76    H    ASN  12           H        ASN  12  -3.604  -7.068   4.110
   77    HA   ASN  12           HA       ASN  12  -2.402  -7.858   6.553
   78   1HB   ASN  12          1HB       ASN  12  -3.673  -9.154   4.269
   79   2HB   ASN  12          2HB       ASN  12  -2.329 -10.093   4.909
   80   1HD2  ASN  12          1HD2      ASN  12  -5.175 -10.664   4.961
   81   2HD2  ASN  12          2HD2      ASN  12  -5.603 -10.841   6.626
   82    H    ALA  13           H        ALA  13  -0.719  -9.911   6.056
   83    HA   ALA  13           HA       ALA  13   1.709  -8.529   5.357
   84   1HB   ALA  13          1HB       ALA  13   2.678 -10.889   5.858
   85   2HB   ALA  13          2HB       ALA  13   1.063 -11.220   6.485
   86   3HB   ALA  13          3HB       ALA  13   2.028  -9.916   7.177
   87    H    GLY  14           H        GLY  14   2.758  -8.584   3.474
   88   1HA   GLY  14          1HA       GLY  14   3.599  -9.932   1.613
   89   2HA   GLY  14          2HA       GLY  14   2.013 -10.685   1.535
   90    H    LEU  15           H        LEU  15   0.806  -7.932   2.021
   91    HA   LEU  15           HA       LEU  15   1.042  -7.018  -0.768
   92   1HB   LEU  15          1HB       LEU  15  -1.247  -6.643   1.165
   93   2HB   LEU  15          2HB       LEU  15  -1.210  -6.090  -0.499
   94    HG   LEU  15           HG       LEU  15  -0.739  -8.728  -0.870
   95   1HD1  LEU  15          1HD1      LEU  15  -0.984  -9.675   1.182
   96   2HD1  LEU  15          2HD1      LEU  15  -2.672  -9.687   0.670
   97   3HD1  LEU  15          3HD1      LEU  15  -2.087  -8.424   1.754
   98   1HD2  LEU  15          1HD2      LEU  15  -3.415  -8.745  -0.989
   99   2HD2  LEU  15          2HD2      LEU  15  -2.401  -7.952  -2.194
  100   3HD2  LEU  15          3HD2      LEU  15  -3.140  -7.005  -0.902
  101    H    CYS  16           H        CYS  16   0.482  -4.632  -1.036
  102    HA   CYS  16           HA       CYS  16   1.425  -3.000   1.203
  103   1HB   CYS  16          1HB       CYS  16   2.566  -2.817  -1.593
  104   2HB   CYS  16          2HB       CYS  16   2.973  -1.766  -0.241
  105    H    CYS  17           H        CYS  17   1.341  -0.563   0.406
  106    HA   CYS  17           HA       CYS  17  -1.294  -0.209  -0.866
  107   1HB   CYS  17          1HB       CYS  17  -1.337   0.472   1.454
  108   2HB   CYS  17          2HB       CYS  17   0.102   1.459   1.232
  109    H    SER  18           H        SER  18  -1.231   0.652  -2.826
  110    HA   SER  18           HA       SER  18   1.147   2.045  -3.738
  111   1HB   SER  18          1HB       SER  18   0.159   1.906  -5.954
  112   2HB   SER  18          2HB       SER  18   0.036   0.333  -5.164
  113    HG   SER  18           HG       SER  18  -1.938   2.040  -5.993
  114    H    ILE  19           H        ILE  19   1.306   4.166  -4.219
  115    HA   ILE  19           HA       ILE  19  -0.138   6.086  -2.935
  116    HB   ILE  19           HB       ILE  19   0.722   7.714  -4.604
  117   1HG1  ILE  19          1HG1      ILE  19   2.503   6.211  -6.111
  118   2HG1  ILE  19          2HG1      ILE  19   1.024   5.257  -6.155
  119   1HG2  ILE  19          1HG2      ILE  19   2.065   6.373  -2.693
  120   2HG2  ILE  19          2HG2      ILE  19   2.767   7.671  -3.659
  121   3HG2  ILE  19          3HG2      ILE  19   3.055   5.988  -4.100
  122   1HD1  ILE  19          1HD1      ILE  19   1.130   6.763  -8.040
  123   2HD1  ILE  19          2HD1      ILE  19   1.301   8.144  -6.956
  124   3HD1  ILE  19          3HD1      ILE  19  -0.198   7.214  -6.971
  125    H    TYR  20           H        TYR  20  -0.888   4.581  -6.005
  126    HA   TYR  20           HA       TYR  20  -2.757   6.388  -7.002
  127   1HB   TYR  20          1HB       TYR  20  -2.124   3.542  -7.411
  128   2HB   TYR  20          2HB       TYR  20  -3.784   3.984  -7.797
  129    HD1  TYR  20           HD1      TYR  20  -0.304   4.239  -8.789
  130    HD2  TYR  20           HD2      TYR  20  -4.234   5.679  -9.550
  131    HE1  TYR  20           HE1      TYR  20   0.444   5.114 -10.963
  132    HE2  TYR  20           HE2      TYR  20  -3.498   6.557 -11.726
  133    HH   TYR  20           HH       TYR  20  -0.774   5.653 -13.248
  134    H    GLY  21           H        GLY  21  -2.957   4.274  -4.293
  135   1HA   GLY  21          1HA       GLY  21  -4.632   4.620  -2.621
  136   2HA   GLY  21          2HA       GLY  21  -5.743   5.120  -3.888
  137    H    TYR  22           H        TYR  22  -3.662   2.255  -3.751
  138    HA   TYR  22           HA       TYR  22  -5.975   0.541  -3.325
  139   1HB   TYR  22          1HB       TYR  22  -4.523   0.779  -5.911
  140   2HB   TYR  22          2HB       TYR  22  -4.988  -0.836  -5.389
  141    HD1  TYR  22           HD1      TYR  22  -7.499  -1.079  -4.635
  142    HD2  TYR  22           HD2      TYR  22  -6.032   2.034  -7.135
  143    HE1  TYR  22           HE1      TYR  22  -9.773  -0.704  -5.491
  144    HE2  TYR  22           HE2      TYR  22  -8.302   2.419  -7.998
  145    HH   TYR  22           HH       TYR  22 -10.853   0.249  -7.493
  146    H    CYS  23           H        CYS  23  -5.185  -1.861  -3.469
  147    HA   CYS  23           HA       CYS  23  -2.590  -2.015  -2.081
  148   1HB   CYS  23          1HB       CYS  23  -4.745  -2.514  -0.763
  149   2HB   CYS  23          2HB       CYS  23  -4.830  -3.993  -1.713
  150    H    GLY  24           H        GLY  24  -1.376  -4.000  -2.369
  151   1HA   GLY  24          1HA       GLY  24  -1.995  -6.046  -4.146
  152   2HA   GLY  24          2HA       GLY  24  -1.227  -4.780  -5.092
  153    H    SER  25           H        SER  25   0.581  -6.031  -5.573
  154    HA   SER  25           HA       SER  25   2.543  -6.150  -3.422
  155   1HB   SER  25          1HB       SER  25   2.089  -8.577  -5.160
  156   2HB   SER  25          2HB       SER  25   3.104  -8.444  -3.724
  157    HG   SER  25           HG       SER  25   1.215  -8.188  -2.488
  158    H    GLY  26           H        GLY  26   4.588  -7.415  -4.674
  159   1HA   GLY  26          1HA       GLY  26   6.289  -7.071  -6.175
  160   2HA   GLY  26          2HA       GLY  26   5.031  -6.779  -7.366
  161    H    ALA  27           H        ALA  27   6.525  -5.219  -8.271
  162    HA   ALA  27           HA       ALA  27   7.158  -2.855  -6.747
  163   1HB   ALA  27          1HB       ALA  27   8.362  -2.124  -8.640
  164   2HB   ALA  27          2HB       ALA  27   7.466  -3.194  -9.719
  165   3HB   ALA  27          3HB       ALA  27   8.610  -3.868  -8.558
  166    H    ALA  28           H        ALA  28   4.630  -3.889  -8.871
  167    HA   ALA  28           HA       ALA  28   3.708  -1.442  -9.845
  168   1HB   ALA  28          1HB       ALA  28   1.809  -2.565 -10.523
  169   2HB   ALA  28          2HB       ALA  28   1.791  -3.609  -9.102
  170   3HB   ALA  28          3HB       ALA  28   2.974  -3.881 -10.381
  171    H    TYR  29           H        TYR  29   3.141  -3.054  -6.772
  172    HA   TYR  29           HA       TYR  29   1.624  -0.692  -5.872
  173   1HB   TYR  29          1HB       TYR  29   1.464  -3.571  -4.974
  174   2HB   TYR  29          2HB       TYR  29   0.699  -2.243  -4.107
  175    HD1  TYR  29           HD1      TYR  29  -1.345  -1.294  -4.869
  176    HD2  TYR  29           HD2      TYR  29   0.706  -4.138  -7.279
  177    HE1  TYR  29           HE1      TYR  29  -3.321  -1.480  -6.321
  178    HE2  TYR  29           HE2      TYR  29  -1.264  -4.331  -8.738
  179    HH   TYR  29           HH       TYR  29  -3.637  -3.940  -8.690
  180    H    CYS  30           H        CYS  30   4.200  -2.946  -5.113
  181    HA   CYS  30           HA       CYS  30   4.947  -1.263  -2.815
  182   1HB   CYS  30          1HB       CYS  30   4.496  -3.951  -2.800
  183   2HB   CYS  30          2HB       CYS  30   6.234  -3.904  -3.076
  184    H    GLY  31           H        GLY  31   5.610  -0.383  -5.352
  185   1HA   GLY  31          1HA       GLY  31   8.500  -0.973  -5.521
  186   2HA   GLY  31          2HA       GLY  31   7.514  -0.477  -6.889
  187    H    ALA  32           H        ALA  32   9.327   1.104  -7.071
  188    HA   ALA  32           HA       ALA  32   9.247   3.296  -5.155
  189   1HB   ALA  32          1HB       ALA  32  11.300   3.870  -5.894
  190   2HB   ALA  32          2HB       ALA  32  10.896   3.562  -7.583
  191   3HB   ALA  32          3HB       ALA  32  11.308   2.219  -6.516
  192    H    GLY  33           H        GLY  33   7.583   4.658  -5.392
  193   1HA   GLY  33          1HA       GLY  33   6.872   6.636  -6.631
  194   2HA   GLY  33          2HA       GLY  33   7.063   5.701  -8.106
  195    H    ASN  34           H        ASN  34   5.787   3.391  -6.457
  196    HA   ASN  34           HA       ASN  34   3.008   4.340  -6.619
  197   1HB   ASN  34          1HB       ASN  34   4.048   1.696  -7.662
  198   2HB   ASN  34          2HB       ASN  34   2.359   2.194  -7.638
  199   1HD2  ASN  34          1HD2      ASN  34   3.670   1.425  -9.953
  200   2HD2  ASN  34          2HD2      ASN  34   3.807   2.793 -11.000
  201    H    CYS  35           H        CYS  35   4.446   4.217  -4.257
  202    HA   CYS  35           HA       CYS  35   2.906   2.206  -2.816
  203   1HB   CYS  35          1HB       CYS  35   5.050   1.100  -3.246
  204   2HB   CYS  35          2HB       CYS  35   5.908   2.466  -2.541
  205    H    ARG  36           H        ARG  36   1.751   3.486  -1.518
  206    HA   ARG  36           HA       ARG  36   2.916   5.893  -0.388
  207   1HB   ARG  36          1HB       ARG  36   0.440   5.419  -1.271
  208   2HB   ARG  36          2HB       ARG  36   0.206   4.971   0.411
  209   1HG   ARG  36          1HG       ARG  36  -0.039   7.103   0.934
  210   2HG   ARG  36          2HG       ARG  36   1.612   7.418   0.397
  211   1HD   ARG  36          1HD       ARG  36   0.224   8.892  -0.825
  212   2HD   ARG  36          2HD       ARG  36   0.686   7.609  -1.942
  213    HE   ARG  36           HE       ARG  36  -1.668   6.732  -0.962
  214   1HH1  ARG  36          1HH1      ARG  36  -0.677   9.767  -2.372
  215   2HH1  ARG  36          2HH1      ARG  36  -2.240  10.113  -3.032
  216   1HH2  ARG  36          1HH2      ARG  36  -3.723   7.185  -1.830
  217   2HH2  ARG  36          2HH2      ARG  36  -3.969   8.648  -2.725
  218    H    CYS  37           H        CYS  37   1.397   2.911   0.835
  219    HA   CYS  37           HA       CYS  37   2.874   3.318   3.355
  220   1HB   CYS  37          1HB       CYS  37   0.045   2.416   2.899
  221   2HB   CYS  37          2HB       CYS  37   0.913   1.931   4.351
  222    H    GLN  38           H        GLN  38   3.459   1.369   4.505
  223    HA   GLN  38           HA       GLN  38   4.398  -0.694   4.653
  224   1HB   GLN  38          1HB       GLN  38   2.344  -1.325   2.529
  225   2HB   GLN  38          2HB       GLN  38   3.342  -2.536   3.321
  226   1HG   GLN  38          1HG       GLN  38   2.302  -1.297   5.472
  227   2HG   GLN  38          2HG       GLN  38   0.994  -1.071   4.311
  228   1HE2  GLN  38          1HE2      GLN  38   0.457  -3.121   3.054
  229   2HE2  GLN  38          2HE2      GLN  38   0.348  -4.573   3.982
  230    H    CYS  39           H        CYS  39   5.836   1.103   3.230
  231    HA   CYS  39           HA       CYS  39   6.763  -0.298   0.825
  232   1HB   CYS  39          1HB       CYS  39   7.550   2.454   1.797
  233   2HB   CYS  39          2HB       CYS  39   7.875   1.754   0.214
  234    H    ARG  40           H        ARG  40   7.751   0.708   4.021
  235    HA   ARG  40           HA       ARG  40  10.520   0.026   3.637
  236   1HB   ARG  40          1HB       ARG  40  10.715   0.428   6.064
  237   2HB   ARG  40          2HB       ARG  40   9.931   1.762   5.229
  238   1HG   ARG  40          1HG       ARG  40   7.823   1.211   6.088
  239   2HG   ARG  40          2HG       ARG  40   8.352  -0.399   6.582
  240   1HD   ARG  40          1HD       ARG  40   9.993   0.845   8.123
  241   2HD   ARG  40          2HD       ARG  40   8.977   2.256   7.831
  242    HE   ARG  40           HE       ARG  40   8.357  -0.017   9.472
  243   1HH1  ARG  40          1HH1      ARG  40   7.011   2.592   7.585
  244   2HH1  ARG  40          2HH1      ARG  40   5.512   2.612   8.451
  245   1HH2  ARG  40          1HH2      ARG  40   6.386   0.008  10.613
  246   2HH2  ARG  40          2HH2      ARG  40   5.157   1.146  10.170
  247    H    GLY  41           H        GLY  41   7.638  -1.558   4.820
  248   1HA   GLY  41          1HA       GLY  41   8.290  -4.129   4.399
  249   2HA   GLY  41          2HA       GLY  41   9.115  -3.802   5.916
  Start of MODEL   16
    1    HN   PCA   1           HN       PCA   1  -8.659   1.938  -1.019
    2    HA   PCA   1           HA       PCA   1  -9.827   3.919  -1.743
    3   1HB   PCA   1          1HB       PCA   1 -11.978   3.200  -1.835
    4   2HB   PCA   1          2HB       PCA   1 -12.080   3.665  -0.133
    5   1HG   PCA   1          1HG       PCA   1 -12.342   1.079  -1.110
    6   2HG   PCA   1          2HG       PCA   1 -11.963   1.508   0.568
    7    H    THR   2           H        THR   2  -9.365   2.527   1.431
    8    HA   THR   2           HA       THR   2  -8.858   5.224   2.488
    9    HB   THR   2           HB       THR   2  -9.717   4.336   4.710
   10    HG1  THR   2           HG1      THR   2 -10.892   2.513   4.719
   11   1HG2  THR   2          1HG2      THR   2 -11.041   5.740   2.922
   12   2HG2  THR   2          2HG2      THR   2 -11.827   5.099   4.365
   13   3HG2  THR   2          3HG2      THR   2 -12.000   4.262   2.822
   14    H    CYS   3           H        CYS   3  -6.891   3.620   1.406
   15    HA   CYS   3           HA       CYS   3  -5.576   1.937   3.231
   16   1HB   CYS   3          1HB       CYS   3  -5.059   1.925   0.844
   17   2HB   CYS   3          2HB       CYS   3  -4.437   3.568   0.952
   18    H    ALA   4           H        ALA   4  -4.873   5.330   2.376
   19    HA   ALA   4           HA       ALA   4  -2.823   5.775   4.186
   20   1HB   ALA   4          1HB       ALA   4  -3.814   7.279   2.302
   21   2HB   ALA   4          2HB       ALA   4  -3.027   8.017   3.697
   22   3HB   ALA   4          3HB       ALA   4  -4.787   7.948   3.612
   23    H    SER   5           H        SER   5  -6.299   5.873   4.676
   24    HA   SER   5           HA       SER   5  -6.231   7.037   7.262
   25   1HB   SER   5          1HB       SER   5  -8.262   5.702   5.562
   26   2HB   SER   5          2HB       SER   5  -8.569   5.695   7.298
   27    HG   SER   5           HG       SER   5  -8.248   8.000   7.227
   28    H    ARG   6           H        ARG   6  -5.749   3.814   6.080
   29    HA   ARG   6           HA       ARG   6  -5.768   2.792   8.840
   30   1HB   ARG   6          1HB       ARG   6  -6.976   1.784   6.522
   31   2HB   ARG   6          2HB       ARG   6  -5.600   0.731   6.816
   32   1HG   ARG   6          1HG       ARG   6  -6.932   1.193   9.289
   33   2HG   ARG   6          2HG       ARG   6  -8.125   0.718   8.078
   34   1HD   ARG   6          1HD       ARG   6  -7.051  -1.320   7.657
   35   2HD   ARG   6          2HD       ARG   6  -5.554  -0.790   8.422
   36    HE   ARG   6           HE       ARG   6  -7.733  -0.854  10.261
   37   1HH1  ARG   6          1HH1      ARG   6  -5.369  -2.851   8.649
   38   2HH1  ARG   6          2HH1      ARG   6  -5.373  -4.069   9.880
   39   1HH2  ARG   6          1HH2      ARG   6  -7.741  -2.455  11.882
   40   2HH2  ARG   6          2HH2      ARG   6  -6.721  -3.844  11.715
   41    H    CYS   7           H        CYS   7  -3.581   4.273   7.530
   42    HA   CYS   7           HA       CYS   7  -1.528   2.252   7.114
   43   1HB   CYS   7          1HB       CYS   7  -1.718   5.203   6.703
   44   2HB   CYS   7          2HB       CYS   7  -0.122   4.493   6.922
   45    HA   PRO   8           HA       PRO   8   0.725   2.717   7.058
   46   1HB   PRO   8          1HB       PRO   8   3.012   1.789   8.049
   47   2HB   PRO   8          2HB       PRO   8   2.636   3.515   8.111
   48   1HG   PRO   8          1HG       PRO   8   2.522   1.471  10.277
   49   2HG   PRO   8          2HG       PRO   8   2.993   3.176  10.365
   50   1HD   PRO   8          1HD       PRO   8   0.481   2.104  11.036
   51   2HD   PRO   8          2HD       PRO   8   0.862   3.821  10.804
   52    H    ARG   9           H        ARG   9  -1.077   0.862   8.786
   53    HA   ARG   9           HA       ARG   9  -0.057  -1.635   7.618
   54   1HB   ARG   9          1HB       ARG   9  -1.089  -1.193  10.413
   55   2HB   ARG   9          2HB       ARG   9  -1.068  -2.786   9.670
   56   1HG   ARG   9          1HG       ARG   9   0.908  -2.791  10.834
   57   2HG   ARG   9          2HG       ARG   9   1.442  -2.255   9.240
   58   1HD   ARG   9          1HD       ARG   9   2.383  -0.526  10.290
   59   2HD   ARG   9          2HD       ARG   9   0.747   0.096  10.503
   60    HE   ARG   9           HE       ARG   9   0.873  -0.422  12.732
   61   1HH1  ARG   9          1HH1      ARG   9   3.483  -2.011  11.046
   62   2HH1  ARG   9          2HH1      ARG   9   4.274  -2.525  12.498
   63   1HH2  ARG   9          1HH2      ARG   9   1.912  -1.099  14.643
   64   2HH2  ARG   9          2HH2      ARG   9   3.382  -2.008  14.540
   65    HA   PRO  10           HA       PRO  10  -4.568  -0.950   6.667
   66   1HB   PRO  10          1HB       PRO  10  -4.446  -0.188   4.108
   67   2HB   PRO  10          2HB       PRO  10  -4.186   0.963   5.423
   68   1HG   PRO  10          1HG       PRO  10  -2.199  -0.350   3.633
   69   2HG   PRO  10          2HG       PRO  10  -2.197   1.288   4.306
   70   1HD   PRO  10          1HD       PRO  10  -0.758  -0.898   5.297
   71   2HD   PRO  10          2HD       PRO  10  -1.075   0.617   6.159
   72    H    CYS  11           H        CYS  11  -2.169  -2.218   4.346
   73    HA   CYS  11           HA       CYS  11  -4.022  -4.219   3.391
   74   1HB   CYS  11          1HB       CYS  11  -1.084  -4.102   2.741
   75   2HB   CYS  11          2HB       CYS  11  -2.394  -4.759   1.768
   76    H    ASN  12           H        ASN  12  -2.997  -6.518   3.121
   77    HA   ASN  12           HA       ASN  12  -2.580  -7.512   5.789
   78   1HB   ASN  12          1HB       ASN  12  -3.123  -8.687   3.116
   79   2HB   ASN  12          2HB       ASN  12  -2.279  -9.713   4.273
   80   1HD2  ASN  12          1HD2      ASN  12  -5.223  -8.929   3.124
   81   2HD2  ASN  12          2HD2      ASN  12  -6.201  -9.357   4.482
   82    H    ALA  13           H        ALA  13  -0.900  -9.555   5.697
   83    HA   ALA  13           HA       ALA  13   1.677  -8.275   5.551
   84   1HB   ALA  13          1HB       ALA  13   0.669 -10.148   7.203
   85   2HB   ALA  13          2HB       ALA  13   2.396  -9.894   6.948
   86   3HB   ALA  13          3HB       ALA  13   1.554 -11.174   6.073
   87    H    GLY  14           H        GLY  14   3.185  -8.478   4.008
   88   1HA   GLY  14          1HA       GLY  14   4.370  -9.732   2.346
   89   2HA   GLY  14          2HA       GLY  14   2.895 -10.632   2.026
   90    H    LEU  15           H        LEU  15   1.351  -8.047   2.070
   91    HA   LEU  15           HA       LEU  15   2.038  -7.226  -0.670
   92   1HB   LEU  15          1HB       LEU  15  -0.582  -7.055   0.821
   93   2HB   LEU  15          2HB       LEU  15  -0.316  -6.447  -0.802
   94    HG   LEU  15           HG       LEU  15   0.454  -8.986  -1.183
   95   1HD1  LEU  15          1HD1      LEU  15  -1.551 -10.208   0.090
   96   2HD1  LEU  15          2HD1      LEU  15  -1.167  -8.973   1.289
   97   3HD1  LEU  15          3HD1      LEU  15   0.081 -10.098   0.751
   98   1HD2  LEU  15          1HD2      LEU  15  -1.128  -8.334  -2.665
   99   2HD2  LEU  15          2HD2      LEU  15  -2.119  -7.554  -1.433
  100   3HD2  LEU  15          3HD2      LEU  15  -2.167  -9.306  -1.624
  101    H    CYS  16           H        CYS  16   1.495  -4.939  -1.217
  102    HA   CYS  16           HA       CYS  16   2.033  -3.146   1.059
  103   1HB   CYS  16          1HB       CYS  16   3.009  -2.646  -1.750
  104   2HB   CYS  16          2HB       CYS  16   3.496  -1.827  -0.270
  105    H    CYS  17           H        CYS  17   1.773  -0.728  -0.131
  106    HA   CYS  17           HA       CYS  17  -0.965  -0.754  -1.220
  107   1HB   CYS  17          1HB       CYS  17  -0.864  -0.010   1.162
  108   2HB   CYS  17          2HB       CYS  17   0.178   1.318   0.662
  109    H    SER  18           H        SER  18  -1.288   0.364  -3.038
  110    HA   SER  18           HA       SER  18   0.970   1.834  -4.159
  111   1HB   SER  18          1HB       SER  18  -1.219   0.257  -5.241
  112   2HB   SER  18          2HB       SER  18  -1.079   1.815  -6.055
  113    HG   SER  18           HG       SER  18   1.245   1.259  -6.205
  114    H    ILE  19           H        ILE  19   0.891   3.955  -4.790
  115    HA   ILE  19           HA       ILE  19  -0.439   5.800  -3.290
  116    HB   ILE  19           HB       ILE  19   0.039   7.458  -5.061
  117   1HG1  ILE  19          1HG1      ILE  19   1.520   5.594  -6.759
  118   2HG1  ILE  19          2HG1      ILE  19  -0.216   5.305  -6.784
  119   1HG2  ILE  19          1HG2      ILE  19   1.921   5.738  -3.725
  120   2HG2  ILE  19          2HG2      ILE  19   1.999   7.475  -4.018
  121   3HG2  ILE  19          3HG2      ILE  19   2.596   6.348  -5.236
  122   1HD1  ILE  19          1HD1      ILE  19   0.160   6.785  -8.537
  123   2HD1  ILE  19          2HD1      ILE  19   1.286   7.762  -7.594
  124   3HD1  ILE  19          3HD1      ILE  19  -0.439   7.808  -7.232
  125    H    TYR  20           H        TYR  20  -1.635   4.114  -6.094
  126    HA   TYR  20           HA       TYR  20  -3.735   5.798  -6.835
  127   1HB   TYR  20          1HB       TYR  20  -2.973   3.015  -7.294
  128   2HB   TYR  20          2HB       TYR  20  -4.718   3.246  -7.274
  129    HD1  TYR  20           HD1      TYR  20  -5.152   5.795  -8.518
  130    HD2  TYR  20           HD2      TYR  20  -2.264   2.823  -9.483
  131    HE1  TYR  20           HE1      TYR  20  -5.071   6.632 -10.829
  132    HE2  TYR  20           HE2      TYR  20  -2.174   3.653 -11.796
  133    HH   TYR  20           HH       TYR  20  -3.451   6.611 -12.739
  134    H    GLY  21           H        GLY  21  -3.340   3.845  -4.034
  135   1HA   GLY  21          1HA       GLY  21  -4.721   4.199  -2.115
  136   2HA   GLY  21          2HA       GLY  21  -6.061   4.568  -3.191
  137    H    TYR  22           H        TYR  22  -3.829   1.823  -3.321
  138    HA   TYR  22           HA       TYR  22  -5.883   0.013  -2.350
  139   1HB   TYR  22          1HB       TYR  22  -5.134   0.256  -5.210
  140   2HB   TYR  22          2HB       TYR  22  -5.279  -1.379  -4.575
  141    HD1  TYR  22           HD1      TYR  22  -7.501  -1.477  -2.886
  142    HD2  TYR  22           HD2      TYR  22  -7.006   0.934  -6.356
  143    HE1  TYR  22           HE1      TYR  22  -9.943  -1.364  -3.149
  144    HE2  TYR  22           HE2      TYR  22  -9.446   1.054  -6.628
  145    HH   TYR  22           HH       TYR  22 -11.459   0.803  -5.328
  146    H    CYS  23           H        CYS  23  -4.927  -2.381  -2.889
  147    HA   CYS  23           HA       CYS  23  -2.111  -2.331  -2.019
  148   1HB   CYS  23          1HB       CYS  23  -4.205  -4.342  -1.171
  149   2HB   CYS  23          2HB       CYS  23  -2.541  -4.253  -0.604
  150    H    GLY  24           H        GLY  24  -0.945  -4.400  -2.464
  151   1HA   GLY  24          1HA       GLY  24  -1.856  -6.347  -4.244
  152   2HA   GLY  24          2HA       GLY  24  -1.149  -5.058  -5.205
  153    H    SER  25           H        SER  25   0.590  -6.221  -5.956
  154    HA   SER  25           HA       SER  25   2.748  -6.589  -4.042
  155   1HB   SER  25          1HB       SER  25   2.977  -8.890  -5.599
  156   2HB   SER  25          2HB       SER  25   2.467  -8.816  -3.913
  157    HG   SER  25           HG       SER  25   0.986  -9.906  -5.374
  158    H    GLY  26           H        GLY  26   4.617  -7.785  -5.595
  159   1HA   GLY  26          1HA       GLY  26   6.104  -7.435  -7.312
  160   2HA   GLY  26          2HA       GLY  26   4.751  -6.838  -8.262
  161    H    ALA  27           H        ALA  27   6.714  -5.475  -8.965
  162    HA   ALA  27           HA       ALA  27   7.559  -3.376  -7.222
  163   1HB   ALA  27          1HB       ALA  27   8.244  -2.433  -9.631
  164   2HB   ALA  27          2HB       ALA  27   8.022  -4.134 -10.039
  165   3HB   ALA  27          3HB       ALA  27   9.169  -3.672  -8.783
  166    H    ALA  28           H        ALA  28   4.759  -3.865  -9.097
  167    HA   ALA  28           HA       ALA  28   4.198  -1.133  -9.716
  168   1HB   ALA  28          1HB       ALA  28   1.931  -2.997  -9.527
  169   2HB   ALA  28          2HB       ALA  28   3.224  -3.482 -10.624
  170   3HB   ALA  28          3HB       ALA  28   2.419  -1.928 -10.842
  171    H    TYR  29           H        TYR  29   3.408  -3.303  -7.068
  172    HA   TYR  29           HA       TYR  29   1.907  -1.134  -5.766
  173   1HB   TYR  29          1HB       TYR  29   1.874  -4.122  -5.351
  174   2HB   TYR  29          2HB       TYR  29   1.108  -2.997  -4.235
  175    HD1  TYR  29           HD1      TYR  29  -0.869  -1.717  -4.922
  176    HD2  TYR  29           HD2      TYR  29   0.911  -4.584  -7.512
  177    HE1  TYR  29           HE1      TYR  29  -2.897  -1.711  -6.312
  178    HE2  TYR  29           HE2      TYR  29  -1.112  -4.586  -8.910
  179    HH   TYR  29           HH       TYR  29  -3.012  -3.097  -9.401
  180    H    CYS  30           H        CYS  30   4.645  -3.282  -5.440
  181    HA   CYS  30           HA       CYS  30   5.285  -2.057  -2.841
  182   1HB   CYS  30          1HB       CYS  30   6.245  -4.644  -4.077
  183   2HB   CYS  30          2HB       CYS  30   6.857  -3.984  -2.565
  184    H    GLY  31           H        GLY  31   5.746  -0.893  -5.540
  185   1HA   GLY  31          1HA       GLY  31   8.475  -1.073  -6.232
  186   2HA   GLY  31          2HA       GLY  31   7.394   0.243  -6.664
  187    H    ALA  32           H        ALA  32   8.958   1.829  -6.333
  188    HA   ALA  32           HA       ALA  32   9.773   2.211  -3.526
  189   1HB   ALA  32          1HB       ALA  32  11.463   1.903  -5.595
  190   2HB   ALA  32          2HB       ALA  32  11.839   2.859  -4.161
  191   3HB   ALA  32          3HB       ALA  32  11.259   3.655  -5.624
  192    H    GLY  33           H        GLY  33   8.531   3.757  -6.430
  193   1HA   GLY  33          1HA       GLY  33   7.904   6.148  -4.810
  194   2HA   GLY  33          2HA       GLY  33   8.210   6.189  -6.540
  195    H    ASN  34           H        ASN  34   6.579   3.595  -6.714
  196    HA   ASN  34           HA       ASN  34   4.069   4.908  -7.227
  197   1HB   ASN  34          1HB       ASN  34   5.013   2.062  -7.569
  198   2HB   ASN  34          2HB       ASN  34   3.369   2.571  -7.940
  199   1HD2  ASN  34          1HD2      ASN  34   4.689   1.491  -9.940
  200   2HD2  ASN  34          2HD2      ASN  34   5.215   2.675 -11.082
  201    H    CYS  35           H        CYS  35   5.396   2.801  -4.782
  202    HA   CYS  35           HA       CYS  35   2.826   2.222  -3.598
  203   1HB   CYS  35          1HB       CYS  35   4.074   0.982  -1.935
  204   2HB   CYS  35          2HB       CYS  35   4.698   0.592  -3.533
  205    H    ARG  36           H        ARG  36   1.816   3.382  -2.088
  206    HA   ARG  36           HA       ARG  36   3.153   5.752  -1.039
  207   1HB   ARG  36          1HB       ARG  36   0.956   6.088  -1.992
  208   2HB   ARG  36          2HB       ARG  36   0.267   4.862  -0.938
  209   1HG   ARG  36          1HG       ARG  36   0.195   6.245   0.856
  210   2HG   ARG  36          2HG       ARG  36   1.633   7.141   0.363
  211   1HD   ARG  36          1HD       ARG  36  -0.294   8.576   0.189
  212   2HD   ARG  36          2HD       ARG  36   0.306   8.209  -1.428
  213    HE   ARG  36           HE       ARG  36  -1.773   6.434  -0.560
  214   1HH1  ARG  36          1HH1      ARG  36  -1.103   9.525  -2.037
  215   2HH1  ARG  36          2HH1      ARG  36  -2.626   9.604  -2.856
  216   1HH2  ARG  36          1HH2      ARG  36  -3.777   6.537  -1.636
  217   2HH2  ARG  36          2HH2      ARG  36  -4.145   7.909  -2.629
  218    H    CYS  37           H        CYS  37   1.678   2.756   0.091
  219    HA   CYS  37           HA       CYS  37   2.900   3.245   2.720
  220   1HB   CYS  37          1HB       CYS  37   0.140   3.209   2.224
  221   2HB   CYS  37          2HB       CYS  37   0.497   1.646   2.951
  222    H    GLN  38           H        GLN  38   3.490   1.359   3.897
  223    HA   GLN  38           HA       GLN  38   4.388  -0.712   4.143
  224   1HB   GLN  38          1HB       GLN  38   2.130  -1.242   2.253
  225   2HB   GLN  38          2HB       GLN  38   3.288  -2.523   2.582
  226   1HG   GLN  38          1HG       GLN  38   1.670  -1.061   4.656
  227   2HG   GLN  38          2HG       GLN  38   1.307  -2.661   4.010
  228   1HE2  GLN  38          1HE2      GLN  38   2.291  -4.397   4.859
  229   2HE2  GLN  38          2HE2      GLN  38   3.486  -4.339   6.105
  230    H    CYS  39           H        CYS  39   5.870   0.982   2.651
  231    HA   CYS  39           HA       CYS  39   6.697  -0.408   0.226
  232   1HB   CYS  39          1HB       CYS  39   7.611   2.199   1.455
  233   2HB   CYS  39          2HB       CYS  39   8.235   1.540  -0.053
  234    H    ARG  40           H        ARG  40   7.856   0.307   3.460
  235    HA   ARG  40           HA       ARG  40  10.414  -0.982   2.934
  236   1HB   ARG  40          1HB       ARG  40  10.312   1.083   4.303
  237   2HB   ARG  40          2HB       ARG  40   9.350   0.221   5.496
  238   1HG   ARG  40          1HG       ARG  40  11.296  -0.189   6.498
  239   2HG   ARG  40          2HG       ARG  40  11.527  -1.407   5.242
  240   1HD   ARG  40          1HD       ARG  40  12.926  -0.033   3.993
  241   2HD   ARG  40          2HD       ARG  40  12.341   1.436   4.773
  242    HE   ARG  40           HE       ARG  40  13.539  -0.019   6.769
  243   1HH1  ARG  40          1HH1      ARG  40  14.535   1.311   3.700
  244   2HH1  ARG  40          2HH1      ARG  40  16.178   1.542   4.192
  245   1HH2  ARG  40          1HH2      ARG  40  15.701   0.285   7.418
  246   2HH2  ARG  40          2HH2      ARG  40  16.841   0.959   6.302
  247    H    GLY  41           H        GLY  41   7.377  -1.594   4.553
  248   1HA   GLY  41          1HA       GLY  41   6.697  -3.937   4.723
  249   2HA   GLY  41          2HA       GLY  41   8.350  -4.310   5.187
  Start of MODEL   17
    1    HN   PCA   1           HN       PCA   1  -7.738   0.602  -1.928
    2    HA   PCA   1           HA       PCA   1  -9.966   1.442  -1.560
    3   1HB   PCA   1          1HB       PCA   1 -11.076  -0.425  -0.895
    4   2HB   PCA   1          2HB       PCA   1 -10.563   0.000   0.741
    5   1HG   PCA   1          1HG       PCA   1  -9.807  -2.290  -0.633
    6   2HG   PCA   1          2HG       PCA   1  -8.956  -1.605   0.764
    7    H    THR   2           H        THR   2  -8.181   3.120  -1.044
    8    HA   THR   2           HA       THR   2  -7.380   4.749   0.326
    9    HB   THR   2           HB       THR   2  -8.804   5.557   2.009
   10    HG1  THR   2           HG1      THR   2 -10.325   4.191   3.056
   11   1HG2  THR   2          1HG2      THR   2 -10.577   5.915   0.745
   12   2HG2  THR   2          2HG2      THR   2 -11.107   4.243   0.931
   13   3HG2  THR   2          3HG2      THR   2  -9.988   4.676  -0.362
   14    H    CYS   3           H        CYS   3  -6.195   2.154   0.511
   15    HA   CYS   3           HA       CYS   3  -5.754   1.226   3.092
   16   1HB   CYS   3          1HB       CYS   3  -3.510   0.439   2.138
   17   2HB   CYS   3          2HB       CYS   3  -4.970  -0.136   1.341
   18    H    ALA   4           H        ALA   4  -4.531   4.065   1.522
   19    HA   ALA   4           HA       ALA   4  -2.239   4.529   3.073
   20   1HB   ALA   4          1HB       ALA   4  -2.055   6.325   1.775
   21   2HB   ALA   4          2HB       ALA   4  -3.587   6.981   2.352
   22   3HB   ALA   4          3HB       ALA   4  -3.567   5.836   1.011
   23    H    SER   5           H        SER   5  -5.628   5.285   3.622
   24    HA   SER   5           HA       SER   5  -5.202   6.904   5.923
   25   1HB   SER   5          1HB       SER   5  -7.331   6.491   4.310
   26   2HB   SER   5          2HB       SER   5  -7.776   5.460   5.670
   27    HG   SER   5           HG       SER   5  -8.550   7.516   6.062
   28    H    ARG   6           H        ARG   6  -5.406   3.484   5.388
   29    HA   ARG   6           HA       ARG   6  -5.617   2.995   8.274
   30   1HB   ARG   6          1HB       ARG   6  -6.237   1.388   5.843
   31   2HB   ARG   6          2HB       ARG   6  -5.742   0.526   7.294
   32   1HG   ARG   6          1HG       ARG   6  -8.023   2.487   7.168
   33   2HG   ARG   6          2HG       ARG   6  -8.191   0.734   7.051
   34   1HD   ARG   6          1HD       ARG   6  -6.639   1.672   9.359
   35   2HD   ARG   6          2HD       ARG   6  -8.333   2.160   9.364
   36    HE   ARG   6           HE       ARG   6  -7.289  -0.491   9.736
   37   1HH1  ARG   6          1HH1      ARG   6 -10.069   1.375   8.753
   38   2HH1  ARG   6          2HH1      ARG   6 -11.198   0.110   9.102
   39   1HH2  ARG   6          1HH2      ARG   6  -8.773  -2.158  10.194
   40   2HH2  ARG   6          2HH2      ARG   6 -10.463  -1.895   9.920
   41    H    CYS   7           H        CYS   7  -3.173   3.887   6.699
   42    HA   CYS   7           HA       CYS   7  -1.407   1.602   7.036
   43   1HB   CYS   7          1HB       CYS   7  -0.091   2.580   5.499
   44   2HB   CYS   7          2HB       CYS   7  -1.452   3.651   5.211
   45    HA   PRO   8           HA       PRO   8   1.008   1.913   6.961
   46   1HB   PRO   8          1HB       PRO   8   3.057   0.963   8.372
   47   2HB   PRO   8          2HB       PRO   8   2.941   2.683   7.979
   48   1HG   PRO   8          1HG       PRO   8   2.317   1.277  10.540
   49   2HG   PRO   8          2HG       PRO   8   3.115   2.838  10.284
   50   1HD   PRO   8          1HD       PRO   8   0.439   2.498  10.942
   51   2HD   PRO   8          2HD       PRO   8   1.132   3.955  10.207
   52    H    ARG   9           H        ARG   9  -1.195   0.735   8.757
   53    HA   ARG   9           HA       ARG   9  -0.428  -2.062   8.314
   54   1HB   ARG   9          1HB       ARG   9  -0.682  -0.911  10.839
   55   2HB   ARG   9          2HB       ARG   9  -2.202  -1.760  10.600
   56   1HG   ARG   9          1HG       ARG   9  -0.848  -3.789   9.988
   57   2HG   ARG   9          2HG       ARG   9   0.576  -2.903  10.536
   58   1HD   ARG   9          1HD       ARG   9  -1.569  -2.786  12.477
   59   2HD   ARG   9          2HD       ARG   9  -1.134  -4.450  12.090
   60    HE   ARG   9           HE       ARG   9   0.922  -4.128  13.080
   61   1HH1  ARG   9          1HH1      ARG   9  -0.743  -1.069  12.813
   62   2HH1  ARG   9          2HH1      ARG   9   0.372  -0.233  13.839
   63   1HH2  ARG   9          1HH2      ARG   9   2.387  -3.026  14.428
   64   2HH2  ARG   9          2HH2      ARG   9   2.148  -1.342  14.755
   65    HA   PRO  10           HA       PRO  10  -4.669  -1.041   6.671
   66   1HB   PRO  10          1HB       PRO  10  -4.180  -0.917   4.050
   67   2HB   PRO  10          2HB       PRO  10  -3.854   0.461   5.107
   68   1HG   PRO  10          1HG       PRO  10  -1.957  -1.520   3.932
   69   2HG   PRO  10          2HG       PRO  10  -1.745   0.219   4.192
   70   1HD   PRO  10          1HD       PRO  10  -0.771  -1.803   5.848
   71   2HD   PRO  10          2HD       PRO  10  -0.950  -0.098   6.296
   72    H    CYS  11           H        CYS  11  -2.277  -3.134   5.050
   73    HA   CYS  11           HA       CYS  11  -4.352  -5.219   4.879
   74   1HB   CYS  11          1HB       CYS  11  -2.024  -4.777   2.998
   75   2HB   CYS  11          2HB       CYS  11  -3.232  -6.050   2.863
   76    H    ASN  12           H        ASN  12  -3.190  -7.452   4.498
   77    HA   ASN  12           HA       ASN  12  -1.749  -8.012   6.881
   78   1HB   ASN  12          1HB       ASN  12  -2.999  -9.509   4.741
   79   2HB   ASN  12          2HB       ASN  12  -1.437 -10.206   5.159
   80   1HD2  ASN  12          1HD2      ASN  12  -4.445  -9.038   6.602
   81   2HD2  ASN  12          2HD2      ASN  12  -4.472 -10.178   7.899
   82    H    ALA  13           H        ALA  13   0.186  -9.807   6.248
   83    HA   ALA  13           HA       ALA  13   2.338  -8.072   5.439
   84   1HB   ALA  13          1HB       ALA  13   2.096 -10.732   6.703
   85   2HB   ALA  13          2HB       ALA  13   3.140  -9.370   7.110
   86   3HB   ALA  13          3HB       ALA  13   3.562 -10.434   5.768
   87    H    GLY  14           H        GLY  14   3.259  -7.943   3.497
   88   1HA   GLY  14          1HA       GLY  14   4.177  -9.150   1.566
   89   2HA   GLY  14          2HA       GLY  14   2.694 -10.093   1.550
   90    H    LEU  15           H        LEU  15   1.173  -7.543   2.173
   91    HA   LEU  15           HA       LEU  15   1.160  -6.513  -0.586
   92   1HB   LEU  15          1HB       LEU  15  -1.098  -6.456   1.414
   93   2HB   LEU  15          2HB       LEU  15  -1.180  -5.985  -0.273
   94    HG   LEU  15           HG       LEU  15  -0.387  -8.518  -0.604
   95   1HD1  LEU  15          1HD1      LEU  15  -1.567  -8.366   2.122
   96   2HD1  LEU  15          2HD1      LEU  15  -0.268  -9.388   1.507
   97   3HD1  LEU  15          3HD1      LEU  15  -1.946  -9.760   1.110
   98   1HD2  LEU  15          1HD2      LEU  15  -2.270  -8.020  -1.768
   99   2HD2  LEU  15          2HD2      LEU  15  -3.039  -7.217  -0.399
  100   3HD2  LEU  15          3HD2      LEU  15  -3.010  -8.978  -0.486
  101    H    CYS  16           H        CYS  16   1.266  -4.348  -0.964
  102    HA   CYS  16           HA       CYS  16   1.587  -2.610   1.396
  103   1HB   CYS  16          1HB       CYS  16   2.914  -2.235  -1.294
  104   2HB   CYS  16          2HB       CYS  16   3.216  -1.318   0.177
  105    H    CYS  17           H        CYS  17   1.230  -0.238   0.831
  106    HA   CYS  17           HA       CYS  17  -1.298  -0.049  -0.630
  107   1HB   CYS  17          1HB       CYS  17  -1.190   0.781   1.710
  108   2HB   CYS  17          2HB       CYS  17   0.007   1.970   1.207
  109    H    SER  18           H        SER  18  -1.261   0.632  -2.656
  110    HA   SER  18           HA       SER  18   1.040   1.921  -3.786
  111   1HB   SER  18          1HB       SER  18  -0.012   1.653  -5.873
  112   2HB   SER  18          2HB       SER  18  -0.567   0.263  -4.940
  113    HG   SER  18           HG       SER  18  -2.471   0.972  -5.491
  114    H    ILE  19           H        ILE  19   1.307   4.011  -4.395
  115    HA   ILE  19           HA       ILE  19   0.215   6.085  -3.012
  116    HB   ILE  19           HB       ILE  19   0.963   7.583  -4.852
  117   1HG1  ILE  19          1HG1      ILE  19   2.401   6.002  -6.548
  118   2HG1  ILE  19          2HG1      ILE  19   0.972   5.007  -6.288
  119   1HG2  ILE  19          1HG2      ILE  19   2.436   6.263  -3.061
  120   2HG2  ILE  19          2HG2      ILE  19   3.134   7.380  -4.234
  121   3HG2  ILE  19          3HG2      ILE  19   3.174   5.643  -4.538
  122   1HD1  ILE  19          1HD1      ILE  19   1.113   7.784  -7.414
  123   2HD1  ILE  19          2HD1      ILE  19  -0.396   7.030  -6.900
  124   3HD1  ILE  19          3HD1      ILE  19   0.551   6.310  -8.202
  125    H    TYR  20           H        TYR  20  -0.973   4.722  -6.037
  126    HA   TYR  20           HA       TYR  20  -2.880   6.656  -6.670
  127   1HB   TYR  20          1HB       TYR  20  -2.335   3.879  -7.424
  128   2HB   TYR  20          2HB       TYR  20  -4.041   4.304  -7.514
  129    HD1  TYR  20           HD1      TYR  20  -0.712   4.911  -8.902
  130    HD2  TYR  20           HD2      TYR  20  -4.827   5.975  -9.102
  131    HE1  TYR  20           HE1      TYR  20  -0.319   6.000 -11.071
  132    HE2  TYR  20           HE2      TYR  20  -4.445   7.066 -11.272
  133    HH   TYR  20           HH       TYR  20  -2.271   8.156 -12.427
  134    H    GLY  21           H        GLY  21  -2.844   4.329  -4.138
  135   1HA   GLY  21          1HA       GLY  21  -4.322   4.572  -2.272
  136   2HA   GLY  21          2HA       GLY  21  -5.552   5.178  -3.371
  137    H    TYR  22           H        TYR  22  -3.509   2.276  -3.546
  138    HA   TYR  22           HA       TYR  22  -5.790   0.562  -3.031
  139   1HB   TYR  22          1HB       TYR  22  -4.722   1.040  -5.749
  140   2HB   TYR  22          2HB       TYR  22  -5.006  -0.644  -5.322
  141    HD1  TYR  22           HD1      TYR  22  -7.402  -0.768  -3.862
  142    HD2  TYR  22           HD2      TYR  22  -6.428   1.908  -7.023
  143    HE1  TYR  22           HE1      TYR  22  -9.794  -0.493  -4.359
  144    HE2  TYR  22           HE2      TYR  22  -8.817   2.190  -7.528
  145    HH   TYR  22           HH       TYR  22 -11.071   0.328  -6.857
  146    H    CYS  23           H        CYS  23  -5.212  -1.386  -2.226
  147    HA   CYS  23           HA       CYS  23  -2.453  -1.789  -1.547
  148   1HB   CYS  23          1HB       CYS  23  -4.816  -2.490  -0.370
  149   2HB   CYS  23          2HB       CYS  23  -4.322  -4.019  -1.088
  150    H    GLY  24           H        GLY  24  -1.276  -3.790  -1.979
  151   1HA   GLY  24          1HA       GLY  24  -1.997  -5.736  -3.821
  152   2HA   GLY  24          2HA       GLY  24  -1.284  -4.425  -4.748
  153    H    SER  25           H        SER  25   0.264  -6.173  -5.300
  154    HA   SER  25           HA       SER  25   2.429  -6.246  -3.308
  155   1HB   SER  25          1HB       SER  25   1.756  -8.531  -5.171
  156   2HB   SER  25          2HB       SER  25   2.945  -8.528  -3.869
  157    HG   SER  25           HG       SER  25   0.134  -8.258  -3.562
  158    H    GLY  26           H        GLY  26   4.383  -7.455  -4.745
  159   1HA   GLY  26          1HA       GLY  26   6.014  -7.032  -6.303
  160   2HA   GLY  26          2HA       GLY  26   4.703  -6.642  -7.407
  161    H    ALA  27           H        ALA  27   6.598  -5.161  -8.065
  162    HA   ALA  27           HA       ALA  27   7.068  -2.849  -6.443
  163   1HB   ALA  27          1HB       ALA  27   8.866  -3.216  -7.802
  164   2HB   ALA  27          2HB       ALA  27   7.997  -2.029  -8.774
  165   3HB   ALA  27          3HB       ALA  27   7.873  -3.745  -9.160
  166    H    ALA  28           H        ALA  28   4.730  -3.743  -8.835
  167    HA   ALA  28           HA       ALA  28   3.944  -1.201  -9.728
  168   1HB   ALA  28          1HB       ALA  28   2.188  -3.633  -9.446
  169   2HB   ALA  28          2HB       ALA  28   3.301  -3.353 -10.786
  170   3HB   ALA  28          3HB       ALA  28   1.942  -2.259 -10.525
  171    H    TYR  29           H        TYR  29   3.073  -3.052  -6.875
  172    HA   TYR  29           HA       TYR  29   1.443  -0.769  -5.969
  173   1HB   TYR  29          1HB       TYR  29   1.064  -3.724  -5.546
  174   2HB   TYR  29          2HB       TYR  29   0.317  -2.539  -4.479
  175    HD1  TYR  29           HD1      TYR  29   0.711  -3.065  -8.164
  176    HD2  TYR  29           HD2      TYR  29  -1.874  -2.025  -4.949
  177    HE1  TYR  29           HE1      TYR  29  -1.153  -2.822  -9.750
  178    HE2  TYR  29           HE2      TYR  29  -3.746  -1.780  -6.526
  179    HH   TYR  29           HH       TYR  29  -3.914  -1.239  -9.113
  180    H    CYS  30           H        CYS  30   4.352  -2.195  -5.527
  181    HA   CYS  30           HA       CYS  30   4.645  -1.023  -2.897
  182   1HB   CYS  30          1HB       CYS  30   3.912  -3.425  -2.546
  183   2HB   CYS  30          2HB       CYS  30   5.432  -3.912  -3.290
  184    H    GLY  31           H        GLY  31   5.660  -0.381  -5.486
  185   1HA   GLY  31          1HA       GLY  31   8.540  -0.873  -5.035
  186   2HA   GLY  31          2HA       GLY  31   7.834  -0.813  -6.643
  187    H    ALA  32           H        ALA  32   9.919   0.790  -6.220
  188    HA   ALA  32           HA       ALA  32   9.432   3.323  -5.138
  189   1HB   ALA  32          1HB       ALA  32  11.379   4.050  -6.287
  190   2HB   ALA  32          2HB       ALA  32  11.229   2.767  -7.488
  191   3HB   ALA  32          3HB       ALA  32  11.656   2.371  -5.823
  192    H    GLY  33           H        GLY  33   7.946   4.761  -5.709
  193   1HA   GLY  33          1HA       GLY  33   7.239   6.373  -7.383
  194   2HA   GLY  33          2HA       GLY  33   7.363   5.096  -8.583
  195    H    ASN  34           H        ASN  34   6.069   3.199  -6.619
  196    HA   ASN  34           HA       ASN  34   3.322   4.242  -6.737
  197   1HB   ASN  34          1HB       ASN  34   4.292   1.530  -7.650
  198   2HB   ASN  34          2HB       ASN  34   2.595   1.910  -7.373
  199   1HD2  ASN  34          1HD2      ASN  34   3.492   1.050  -9.819
  200   2HD2  ASN  34          2HD2      ASN  34   3.374   2.340 -10.962
  201    H    CYS  35           H        CYS  35   4.891   4.320  -4.460
  202    HA   CYS  35           HA       CYS  35   3.579   2.285  -2.786
  203   1HB   CYS  35          1HB       CYS  35   5.961   1.745  -2.988
  204   2HB   CYS  35          2HB       CYS  35   6.385   3.366  -2.446
  205    H    ARG  36           H        ARG  36   2.036   3.378  -1.742
  206    HA   ARG  36           HA       ARG  36   2.366   6.135  -0.972
  207   1HB   ARG  36          1HB       ARG  36   0.186   4.743  -1.634
  208   2HB   ARG  36          2HB       ARG  36   0.130   4.490   0.105
  209   1HG   ARG  36          1HG       ARG  36  -0.220   6.723   0.558
  210   2HG   ARG  36          2HG       ARG  36   0.468   7.250  -0.980
  211   1HD   ARG  36          1HD       ARG  36  -1.523   6.069  -2.066
  212   2HD   ARG  36          2HD       ARG  36  -2.224   6.030  -0.449
  213    HE   ARG  36           HE       ARG  36  -1.350   8.645  -1.208
  214   1HH1  ARG  36          1HH1      ARG  36  -3.963   6.349  -1.484
  215   2HH1  ARG  36          2HH1      ARG  36  -5.163   7.562  -1.777
  216   1HH2  ARG  36          1HH2      ARG  36  -2.926  10.241  -1.590
  217   2HH2  ARG  36          2HH2      ARG  36  -4.575   9.773  -1.837
  218    H    CYS  37           H        CYS  37   1.686   3.144   0.841
  219    HA   CYS  37           HA       CYS  37   3.449   4.057   2.978
  220   1HB   CYS  37          1HB       CYS  37   0.847   4.635   3.268
  221   2HB   CYS  37          2HB       CYS  37   0.825   2.981   3.869
  222    H    GLN  38           H        GLN  38   3.636   2.277   4.698
  223    HA   GLN  38           HA       GLN  38   4.251   0.152   5.227
  224   1HB   GLN  38          1HB       GLN  38   1.709  -0.046   4.083
  225   2HB   GLN  38          2HB       GLN  38   2.650  -1.298   3.286
  226   1HG   GLN  38          1HG       GLN  38   3.220  -1.394   6.066
  227   2HG   GLN  38          2HG       GLN  38   1.471  -1.333   5.855
  228   1HE2  GLN  38          1HE2      GLN  38   3.881  -3.398   6.296
  229   2HE2  GLN  38          2HE2      GLN  38   3.299  -4.774   5.427
  230    H    CYS  39           H        CYS  39   5.906   1.438   3.491
  231    HA   CYS  39           HA       CYS  39   6.495  -0.204   1.203
  232   1HB   CYS  39          1HB       CYS  39   7.167   2.398   2.072
  233   2HB   CYS  39          2HB       CYS  39   8.684   1.516   1.931
  234    H    ARG  40           H        ARG  40   7.370  -0.188   4.526
  235    HA   ARG  40           HA       ARG  40   9.906  -1.332   4.479
  236   1HB   ARG  40          1HB       ARG  40   8.880  -0.486   6.524
  237   2HB   ARG  40          2HB       ARG  40   7.667  -1.756   6.465
  238   1HG   ARG  40          1HG       ARG  40  10.271  -2.932   6.383
  239   2HG   ARG  40          2HG       ARG  40  10.175  -1.803   7.735
  240   1HD   ARG  40          1HD       ARG  40   7.757  -3.293   7.659
  241   2HD   ARG  40          2HD       ARG  40   9.099  -4.428   7.526
  242    HE   ARG  40           HE       ARG  40   8.379  -2.847   9.819
  243   1HH1  ARG  40          1HH1      ARG  40  10.955  -4.577   8.223
  244   2HH1  ARG  40          2HH1      ARG  40  11.856  -4.831   9.680
  245   1HH2  ARG  40          1HH2      ARG  40   9.562  -3.180  11.736
  246   2HH2  ARG  40          2HH2      ARG  40  11.065  -4.038  11.675
  247    H    GLY  41           H        GLY  41   6.778  -2.745   3.879
  248   1HA   GLY  41          1HA       GLY  41   7.281  -4.827   2.380
  249   2HA   GLY  41          2HA       GLY  41   7.917  -5.447   3.896
  Start of MODEL   18
    1    HN   PCA   1           HN       PCA   1  -8.613   2.620  -1.317
    2    HA   PCA   1           HA       PCA   1 -10.034   4.532  -1.693
    3   1HB   PCA   1          1HB       PCA   1 -12.077   3.580  -1.952
    4   2HB   PCA   1          2HB       PCA   1 -12.224   3.689  -0.195
    5   1HG   PCA   1          1HG       PCA   1 -12.151   1.330  -1.664
    6   2HG   PCA   1          2HG       PCA   1 -11.833   1.470   0.074
    7    H    THR   2           H        THR   2  -9.290   2.669   1.154
    8    HA   THR   2           HA       THR   2  -9.117   5.162   2.694
    9    HB   THR   2           HB       THR   2  -9.861   3.654   4.698
   10    HG1  THR   2           HG1      THR   2  -9.945   1.769   3.249
   11   1HG2  THR   2          1HG2      THR   2 -12.355   3.977   3.485
   12   2HG2  THR   2          2HG2      THR   2 -11.349   5.296   2.885
   13   3HG2  THR   2          3HG2      THR   2 -11.556   5.065   4.621
   14    H    CYS   3           H        CYS   3  -6.975   4.018   1.440
   15    HA   CYS   3           HA       CYS   3  -5.559   2.194   3.120
   16   1HB   CYS   3          1HB       CYS   3  -5.115   2.328   0.714
   17   2HB   CYS   3          2HB       CYS   3  -4.557   3.987   0.899
   18    H    ALA   4           H        ALA   4  -5.027   5.642   2.364
   19    HA   ALA   4           HA       ALA   4  -2.985   6.120   4.178
   20   1HB   ALA   4          1HB       ALA   4  -4.051   8.525   4.156
   21   2HB   ALA   4          2HB       ALA   4  -5.028   7.836   2.860
   22   3HB   ALA   4          3HB       ALA   4  -3.270   7.862   2.720
   23    H    SER   5           H        SER   5  -6.460   6.068   4.678
   24    HA   SER   5           HA       SER   5  -6.417   7.166   7.298
   25   1HB   SER   5          1HB       SER   5  -8.416   5.859   5.549
   26   2HB   SER   5          2HB       SER   5  -8.718   5.744   7.282
   27    HG   SER   5           HG       SER   5  -8.095   8.197   6.022
   28    H    ARG   6           H        ARG   6  -5.893   3.983   6.014
   29    HA   ARG   6           HA       ARG   6  -5.906   2.867   8.735
   30   1HB   ARG   6          1HB       ARG   6  -6.792   1.857   6.181
   31   2HB   ARG   6          2HB       ARG   6  -5.596   0.775   6.882
   32   1HG   ARG   6          1HG       ARG   6  -7.201   1.290   9.024
   33   2HG   ARG   6          2HG       ARG   6  -8.353   1.311   7.688
   34   1HD   ARG   6          1HD       ARG   6  -6.355  -0.900   8.110
   35   2HD   ARG   6          2HD       ARG   6  -7.980  -0.929   8.792
   36    HE   ARG   6           HE       ARG   6  -7.238  -1.387   6.053
   37   1HH1  ARG   6          1HH1      ARG   6  -9.814  -0.404   8.193
   38   2HH1  ARG   6          2HH1      ARG   6 -11.071  -0.849   7.088
   39   1HH2  ARG   6          1HH2      ARG   6  -8.890  -1.975   4.599
   40   2HH2  ARG   6          2HH2      ARG   6 -10.546  -1.742   5.048
   41    H    CYS   7           H        CYS   7  -3.735   4.465   7.393
   42    HA   CYS   7           HA       CYS   7  -1.608   2.501   7.099
   43   1HB   CYS   7          1HB       CYS   7  -1.914   5.403   6.515
   44   2HB   CYS   7          2HB       CYS   7  -0.292   4.814   6.866
   45    HA   PRO   8           HA       PRO   8   0.637   3.012   7.072
   46   1HB   PRO   8          1HB       PRO   8   2.881   2.080   8.160
   47   2HB   PRO   8          2HB       PRO   8   2.531   3.812   8.149
   48   1HG   PRO   8          1HG       PRO   8   2.297   1.845  10.380
   49   2HG   PRO   8          2HG       PRO   8   2.830   3.534  10.424
   50   1HD   PRO   8          1HD       PRO   8   0.275   2.605  11.082
   51   2HD   PRO   8          2HD       PRO   8   0.709   4.289  10.732
   52    H    ARG   9           H        ARG   9  -1.316   1.253   8.599
   53    HA   ARG   9           HA       ARG   9  -0.183  -1.321   7.735
   54   1HB   ARG   9          1HB       ARG   9  -1.594  -0.636  10.289
   55   2HB   ARG   9          2HB       ARG   9  -1.731  -2.257   9.626
   56   1HG   ARG   9          1HG       ARG   9   0.043  -2.484  11.065
   57   2HG   ARG   9          2HG       ARG   9   0.863  -2.157   9.537
   58   1HD   ARG   9          1HD       ARG   9   1.959  -0.606  10.741
   59   2HD   ARG   9          2HD       ARG   9   0.512   0.359  10.460
   60    HE   ARG   9           HE       ARG   9   1.263  -0.990  12.942
   61   1HH1  ARG   9          1HH1      ARG   9  -1.031   0.996  11.204
   62   2HH1  ARG   9          2HH1      ARG   9  -1.832   1.535  12.639
   63   1HH2  ARG   9          1HH2      ARG   9   0.203  -0.278  14.822
   64   2HH2  ARG   9          2HH2      ARG   9  -1.134   0.815  14.690
   65    HA   PRO  10           HA       PRO  10  -4.429  -0.519   5.919
   66   1HB   PRO  10          1HB       PRO  10  -3.801   0.069   3.391
   67   2HB   PRO  10          2HB       PRO  10  -3.725   1.299   4.660
   68   1HG   PRO  10          1HG       PRO  10  -1.509  -0.278   3.413
   69   2HG   PRO  10          2HG       PRO  10  -1.555   1.441   3.844
   70   1HD   PRO  10          1HD       PRO  10  -0.385  -0.527   5.386
   71   2HD   PRO  10          2HD       PRO  10  -0.963   1.028   6.010
   72    H    CYS  11           H        CYS  11  -1.614  -2.214   4.642
   73    HA   CYS  11           HA       CYS  11  -3.391  -4.240   3.465
   74   1HB   CYS  11          1HB       CYS  11  -1.242  -2.926   2.342
   75   2HB   CYS  11          2HB       CYS  11  -0.544  -4.466   2.829
   76    H    ASN  12           H        ASN  12  -2.212  -6.481   3.413
   77    HA   ASN  12           HA       ASN  12  -1.594  -7.123   6.200
   78   1HB   ASN  12          1HB       ASN  12  -2.321  -8.914   3.870
   79   2HB   ASN  12          2HB       ASN  12  -2.046  -9.463   5.520
   80   1HD2  ASN  12          1HD2      ASN  12  -3.437  -8.440   7.189
   81   2HD2  ASN  12          2HD2      ASN  12  -5.086  -8.133   6.777
   82    H    ALA  13           H        ALA  13  -0.189  -9.429   6.006
   83    HA   ALA  13           HA       ALA  13   2.429  -8.464   5.294
   84   1HB   ALA  13          1HB       ALA  13   1.932  -9.830   7.341
   85   2HB   ALA  13          2HB       ALA  13   3.274 -10.419   6.360
   86   3HB   ALA  13          3HB       ALA  13   1.703 -11.217   6.277
   87    H    GLY  14           H        GLY  14   3.399  -8.733   3.405
   88   1HA   GLY  14          1HA       GLY  14   4.178 -10.277   1.690
   89   2HA   GLY  14          2HA       GLY  14   2.582 -11.013   1.717
   90    H    LEU  15           H        LEU  15   1.480  -8.155   1.927
   91    HA   LEU  15           HA       LEU  15   1.695  -7.545  -0.948
   92   1HB   LEU  15          1HB       LEU  15  -0.621  -7.061   0.929
   93   2HB   LEU  15          2HB       LEU  15  -0.571  -6.584  -0.758
   94    HG   LEU  15           HG       LEU  15  -0.043  -9.269  -0.918
   95   1HD1  LEU  15          1HD1      LEU  15  -0.788  -9.075   1.652
   96   2HD1  LEU  15          2HD1      LEU  15  -1.107 -10.491   0.649
   97   3HD1  LEU  15          3HD1      LEU  15  -2.367  -9.282   0.895
   98   1HD2  LEU  15          1HD2      LEU  15  -1.693  -7.706  -2.141
   99   2HD2  LEU  15          2HD2      LEU  15  -2.856  -8.243  -0.929
  100   3HD2  LEU  15          3HD2      LEU  15  -2.092  -9.418  -2.000
  101    H    CYS  16           H        CYS  16   0.806  -5.134  -1.265
  102    HA   CYS  16           HA       CYS  16   1.798  -3.331   0.781
  103   1HB   CYS  16          1HB       CYS  16   3.015  -3.383  -1.989
  104   2HB   CYS  16          2HB       CYS  16   3.343  -2.176  -0.751
  105    H    CYS  17           H        CYS  17   1.046  -1.213   0.568
  106    HA   CYS  17           HA       CYS  17  -1.310  -0.960  -1.111
  107   1HB   CYS  17          1HB       CYS  17  -0.882  -0.209   1.431
  108   2HB   CYS  17          2HB       CYS  17  -0.432   1.287   0.621
  109    H    SER  18           H        SER  18  -1.373   0.105  -2.973
  110    HA   SER  18           HA       SER  18   0.991   1.515  -3.892
  111   1HB   SER  18          1HB       SER  18  -0.086  -0.041  -5.428
  112   2HB   SER  18          2HB       SER  18  -1.605   0.846  -5.299
  113    HG   SER  18           HG       SER  18   0.707   1.463  -6.707
  114    H    ILE  19           H        ILE  19   1.126   3.660  -4.384
  115    HA   ILE  19           HA       ILE  19  -0.162   5.546  -2.897
  116    HB   ILE  19           HB       ILE  19   0.600   7.233  -4.513
  117   1HG1  ILE  19          1HG1      ILE  19   1.994   5.371  -6.274
  118   2HG1  ILE  19          2HG1      ILE  19   0.245   5.217  -6.393
  119   1HG2  ILE  19          1HG2      ILE  19   2.593   5.037  -3.972
  120   2HG2  ILE  19          2HG2      ILE  19   2.166   6.355  -2.881
  121   3HG2  ILE  19          3HG2      ILE  19   2.993   6.700  -4.399
  122   1HD1  ILE  19          1HD1      ILE  19   1.937   7.634  -6.918
  123   2HD1  ILE  19          2HD1      ILE  19   0.188   7.726  -6.707
  124   3HD1  ILE  19          3HD1      ILE  19   0.869   6.775  -8.027
  125    H    TYR  20           H        TYR  20  -1.284   4.088  -5.854
  126    HA   TYR  20           HA       TYR  20  -3.221   6.017  -6.554
  127   1HB   TYR  20          1HB       TYR  20  -2.789   3.129  -7.213
  128   2HB   TYR  20          2HB       TYR  20  -4.307   3.897  -7.666
  129    HD1  TYR  20           HD1      TYR  20  -1.477   2.872  -9.094
  130    HD2  TYR  20           HD2      TYR  20  -3.588   6.526  -8.553
  131    HE1  TYR  20           HE1      TYR  20  -0.405   3.783 -11.111
  132    HE2  TYR  20           HE2      TYR  20  -2.523   7.447 -10.569
  133    HH   TYR  20           HH       TYR  20   0.080   6.495 -11.873
  134    H    GLY  21           H        GLY  21  -3.092   3.839  -3.952
  135   1HA   GLY  21          1HA       GLY  21  -4.637   3.891  -2.165
  136   2HA   GLY  21          2HA       GLY  21  -5.866   4.480  -3.276
  137    H    TYR  22           H        TYR  22  -3.729   1.692  -3.679
  138    HA   TYR  22           HA       TYR  22  -5.900  -0.159  -3.134
  139   1HB   TYR  22          1HB       TYR  22  -4.843   0.365  -5.890
  140   2HB   TYR  22          2HB       TYR  22  -5.396  -1.250  -5.458
  141    HD1  TYR  22           HD1      TYR  22  -6.387   1.601  -7.057
  142    HD2  TYR  22           HD2      TYR  22  -7.770  -1.076  -4.054
  143    HE1  TYR  22           HE1      TYR  22  -8.703   2.275  -7.532
  144    HE2  TYR  22           HE2      TYR  22 -10.091  -0.410  -4.521
  145    HH   TYR  22           HH       TYR  22 -11.193   0.793  -7.015
  146    H    CYS  23           H        CYS  23  -5.203  -2.162  -2.552
  147    HA   CYS  23           HA       CYS  23  -2.421  -2.459  -1.946
  148   1HB   CYS  23          1HB       CYS  23  -4.915  -3.968  -1.410
  149   2HB   CYS  23          2HB       CYS  23  -3.424  -4.904  -1.412
  150    H    GLY  24           H        GLY  24  -1.388  -4.694  -2.435
  151   1HA   GLY  24          1HA       GLY  24  -1.940  -6.284  -4.583
  152   2HA   GLY  24          2HA       GLY  24  -1.165  -4.877  -5.295
  153    H    SER  25           H        SER  25   0.659  -5.969  -5.983
  154    HA   SER  25           HA       SER  25   2.669  -6.383  -3.955
  155   1HB   SER  25          1HB       SER  25   1.455  -8.587  -4.103
  156   2HB   SER  25          2HB       SER  25   1.991  -8.699  -5.779
  157    HG   SER  25           HG       SER  25   3.439  -9.790  -4.446
  158    H    GLY  26           H        GLY  26   4.629  -7.604  -5.362
  159   1HA   GLY  26          1HA       GLY  26   6.212  -7.285  -6.996
  160   2HA   GLY  26          2HA       GLY  26   4.909  -6.746  -8.045
  161    H    ALA  27           H        ALA  27   6.485  -5.218  -8.873
  162    HA   ALA  27           HA       ALA  27   7.365  -3.095  -7.112
  163   1HB   ALA  27          1HB       ALA  27   7.757  -3.670 -10.032
  164   2HB   ALA  27          2HB       ALA  27   8.954  -3.663  -8.737
  165   3HB   ALA  27          3HB       ALA  27   8.262  -2.144  -9.306
  166    H    ALA  28           H        ALA  28   4.820  -3.673  -9.414
  167    HA   ALA  28           HA       ALA  28   4.097  -1.011  -9.964
  168   1HB   ALA  28          1HB       ALA  28   2.786  -3.657 -10.215
  169   2HB   ALA  28          2HB       ALA  28   3.072  -2.412 -11.431
  170   3HB   ALA  28          3HB       ALA  28   1.754  -2.228 -10.273
  171    H    TYR  29           H        TYR  29   3.273  -3.183  -7.330
  172    HA   TYR  29           HA       TYR  29   1.647  -1.049  -6.118
  173   1HB   TYR  29          1HB       TYR  29   1.618  -4.039  -5.706
  174   2HB   TYR  29          2HB       TYR  29   0.758  -2.916  -4.659
  175    HD1  TYR  29           HD1      TYR  29   0.847  -4.487  -7.957
  176    HD2  TYR  29           HD2      TYR  29  -1.198  -1.705  -5.472
  177    HE1  TYR  29           HE1      TYR  29  -1.065  -4.522  -9.502
  178    HE2  TYR  29           HE2      TYR  29  -3.117  -1.733  -7.010
  179    HH   TYR  29           HH       TYR  29  -2.977  -2.947 -10.102
  180    H    CYS  30           H        CYS  30   4.400  -3.144  -5.678
  181    HA   CYS  30           HA       CYS  30   4.989  -1.749  -3.151
  182   1HB   CYS  30          1HB       CYS  30   4.397  -4.297  -3.088
  183   2HB   CYS  30          2HB       CYS  30   6.034  -4.505  -3.700
  184    H    GLY  31           H        GLY  31   5.848  -0.506  -5.312
  185   1HA   GLY  31          1HA       GLY  31   8.529  -1.429  -6.001
  186   2HA   GLY  31          2HA       GLY  31   7.683  -0.063  -6.713
  187    H    ALA  32           H        ALA  32   8.609   1.812  -6.277
  188    HA   ALA  32           HA       ALA  32   9.772   2.218  -3.605
  189   1HB   ALA  32          1HB       ALA  32  11.349   3.822  -5.057
  190   2HB   ALA  32          2HB       ALA  32  11.028   2.568  -6.255
  191   3HB   ALA  32          3HB       ALA  32  11.749   2.141  -4.703
  192    H    GLY  33           H        GLY  33   8.475   3.759  -6.510
  193   1HA   GLY  33          1HA       GLY  33   7.759   6.103  -4.867
  194   2HA   GLY  33          2HA       GLY  33   7.998   6.140  -6.607
  195    H    ASN  34           H        ASN  34   6.428   3.396  -6.415
  196    HA   ASN  34           HA       ASN  34   3.805   4.687  -6.671
  197   1HB   ASN  34          1HB       ASN  34   4.604   1.943  -7.650
  198   2HB   ASN  34          2HB       ASN  34   3.155   2.849  -8.075
  199   1HD2  ASN  34          1HD2      ASN  34   5.142   1.750  -9.836
  200   2HD2  ASN  34          2HD2      ASN  34   5.812   3.073 -10.723
  201    H    CYS  35           H        CYS  35   5.078   3.865  -4.120
  202    HA   CYS  35           HA       CYS  35   3.003   1.970  -3.230
  203   1HB   CYS  35          1HB       CYS  35   4.642   1.269  -1.453
  204   2HB   CYS  35          2HB       CYS  35   5.093   0.816  -3.093
  205    H    ARG  36           H        ARG  36   1.638   2.760  -1.783
  206    HA   ARG  36           HA       ARG  36   2.073   5.367  -0.634
  207   1HB   ARG  36          1HB       ARG  36  -0.155   4.254  -1.478
  208   2HB   ARG  36          2HB       ARG  36  -0.206   3.592   0.149
  209   1HG   ARG  36          1HG       ARG  36  -1.506   5.661  -0.072
  210   2HG   ARG  36          2HG       ARG  36  -0.196   5.808   1.100
  211   1HD   ARG  36          1HD       ARG  36   0.657   7.528  -0.016
  212   2HD   ARG  36          2HD       ARG  36   0.761   6.564  -1.487
  213    HE   ARG  36           HE       ARG  36  -1.863   7.300  -1.336
  214   1HH1  ARG  36          1HH1      ARG  36   1.175   9.018  -1.360
  215   2HH1  ARG  36          2HH1      ARG  36   0.516  10.426  -2.123
  216   1HH2  ARG  36          1HH2      ARG  36  -2.731   9.150  -2.341
  217   2HH2  ARG  36          2HH2      ARG  36  -1.701  10.501  -2.680
  218    H    CYS  37           H        CYS  37   1.380   2.142   0.722
  219    HA   CYS  37           HA       CYS  37   3.047   2.839   3.034
  220   1HB   CYS  37          1HB       CYS  37   0.169   2.066   3.045
  221   2HB   CYS  37          2HB       CYS  37   1.192   1.427   4.327
  222    H    GLN  38           H        GLN  38   3.669   0.922   4.322
  223    HA   GLN  38           HA       GLN  38   4.621  -1.133   4.498
  224   1HB   GLN  38          1HB       GLN  38   2.135  -1.608   2.988
  225   2HB   GLN  38          2HB       GLN  38   3.354  -2.861   2.806
  226   1HG   GLN  38          1HG       GLN  38   3.056  -2.087   5.568
  227   2HG   GLN  38          2HG       GLN  38   1.519  -2.592   4.869
  228   1HE2  GLN  38          1HE2      GLN  38   3.343  -3.845   6.863
  229   2HE2  GLN  38          2HE2      GLN  38   3.637  -5.437   6.259
  230    H    CYS  39           H        CYS  39   5.936   0.603   2.885
  231    HA   CYS  39           HA       CYS  39   6.732  -0.952   0.523
  232   1HB   CYS  39          1HB       CYS  39   6.051   1.580   0.473
  233   2HB   CYS  39          2HB       CYS  39   7.690   1.836   1.062
  234    H    ARG  40           H        ARG  40   7.874   0.370   3.544
  235    HA   ARG  40           HA       ARG  40  10.552  -0.725   3.008
  236   1HB   ARG  40          1HB       ARG  40   9.847   1.773   3.933
  237   2HB   ARG  40          2HB       ARG  40  10.254   0.918   5.415
  238   1HG   ARG  40          1HG       ARG  40  12.032   1.191   2.999
  239   2HG   ARG  40          2HG       ARG  40  12.173   2.109   4.499
  240   1HD   ARG  40          1HD       ARG  40  12.425  -0.885   4.234
  241   2HD   ARG  40          2HD       ARG  40  13.764   0.247   4.418
  242    HE   ARG  40           HE       ARG  40  12.052  -0.748   6.483
  243   1HH1  ARG  40          1HH1      ARG  40  14.034   1.957   5.516
  244   2HH1  ARG  40          2HH1      ARG  40  14.318   2.489   7.139
  245   1HH2  ARG  40          1HH2      ARG  40  12.424  -0.049   8.618
  246   2HH2  ARG  40          2HH2      ARG  40  13.404   1.351   8.901
  247    H    GLY  41           H        GLY  41   8.137  -2.229   3.868
  248   1HA   GLY  41          1HA       GLY  41   9.082  -4.186   5.403
  249   2HA   GLY  41          2HA       GLY  41   8.742  -2.965   6.621
  Start of MODEL   19
    1    HN   PCA   1           HN       PCA   1  -9.072   2.393  -1.435
    2    HA   PCA   1           HA       PCA   1 -10.335   4.371  -1.987
    3   1HB   PCA   1          1HB       PCA   1 -12.477   3.643  -1.797
    4   2HB   PCA   1          2HB       PCA   1 -12.353   4.092  -0.093
    5   1HG   PCA   1          1HG       PCA   1 -12.731   1.513  -1.053
    6   2HG   PCA   1          2HG       PCA   1 -12.138   1.929   0.565
    7    H    THR   2           H        THR   2  -9.470   2.961   1.099
    8    HA   THR   2           HA       THR   2  -8.591   5.585   2.025
    9    HB   THR   2           HB       THR   2  -9.561   4.905   4.342
   10    HG1  THR   2           HG1      THR   2 -11.061   3.412   4.360
   11   1HG2  THR   2          1HG2      THR   2 -10.369   6.795   2.866
   12   2HG2  THR   2          2HG2      THR   2 -11.532   6.124   4.010
   13   3HG2  THR   2          3HG2      THR   2 -11.617   5.682   2.305
   14    H    CYS   3           H        CYS   3  -7.070   3.441   1.055
   15    HA   CYS   3           HA       CYS   3  -6.081   1.704   3.017
   16   1HB   CYS   3          1HB       CYS   3  -5.643   1.391   0.627
   17   2HB   CYS   3          2HB       CYS   3  -4.662   2.852   0.604
   18    H    ALA   4           H        ALA   4  -5.340   5.041   2.289
   19    HA   ALA   4           HA       ALA   4  -2.929   5.210   3.772
   20   1HB   ALA   4          1HB       ALA   4  -4.870   7.417   3.097
   21   2HB   ALA   4          2HB       ALA   4  -3.576   6.842   2.046
   22   3HB   ALA   4          3HB       ALA   4  -3.186   7.611   3.584
   23    H    SER   5           H        SER   5  -6.312   5.504   4.609
   24    HA   SER   5           HA       SER   5  -5.928   6.677   7.169
   25   1HB   SER   5          1HB       SER   5  -8.083   6.592   5.768
   26   2HB   SER   5          2HB       SER   5  -8.287   4.962   6.410
   27    HG   SER   5           HG       SER   5  -9.353   6.341   7.776
   28    H    ARG   6           H        ARG   6  -5.626   3.460   5.965
   29    HA   ARG   6           HA       ARG   6  -5.671   2.351   8.680
   30   1HB   ARG   6          1HB       ARG   6  -5.666   0.994   5.981
   31   2HB   ARG   6          2HB       ARG   6  -5.618   0.142   7.518
   32   1HG   ARG   6          1HG       ARG   6  -7.785   1.593   7.970
   33   2HG   ARG   6          2HG       ARG   6  -7.858   1.573   6.207
   34   1HD   ARG   6          1HD       ARG   6  -7.679  -0.849   7.997
   35   2HD   ARG   6          2HD       ARG   6  -9.135  -0.273   7.187
   36    HE   ARG   6           HE       ARG   6  -6.978  -1.768   6.020
   37   1HH1  ARG   6          1HH1      ARG   6  -9.591   0.453   5.375
   38   2HH1  ARG   6          2HH1      ARG   6  -9.744  -0.013   3.715
   39   1HH2  ARG   6          1HH2      ARG   6  -7.177  -2.382   3.836
   40   2HH2  ARG   6          2HH2      ARG   6  -8.374  -1.622   2.840
   41    H    CYS   7           H        CYS   7  -3.486   4.020   7.526
   42    HA   CYS   7           HA       CYS   7  -1.279   2.188   7.161
   43   1HB   CYS   7          1HB       CYS   7  -1.592   5.168   7.141
   44   2HB   CYS   7          2HB       CYS   7   0.014   4.466   7.296
   45    HA   PRO   8           HA       PRO   8   0.936   2.719   7.353
   46   1HB   PRO   8          1HB       PRO   8   3.130   1.652   8.418
   47   2HB   PRO   8          2HB       PRO   8   2.749   3.362   8.654
   48   1HG   PRO   8          1HG       PRO   8   2.417   1.068  10.535
   49   2HG   PRO   8          2HG       PRO   8   2.922   2.733  10.873
   50   1HD   PRO   8          1HD       PRO   8   0.349   1.701  11.229
   51   2HD   PRO   8          2HD       PRO   8   0.776   3.421  11.161
   52    H    ARG   9           H        ARG   9  -0.839   0.580   8.988
   53    HA   ARG   9           HA       ARG   9   0.182  -1.706   7.439
   54   1HB   ARG   9          1HB       ARG   9  -1.098  -1.839  10.175
   55   2HB   ARG   9          2HB       ARG   9  -0.514  -3.205   9.235
   56   1HG   ARG   9          1HG       ARG   9   1.607  -2.886   9.864
   57   2HG   ARG   9          2HG       ARG   9   1.497  -1.133   9.697
   58   1HD   ARG   9          1HD       ARG   9   0.814  -0.832  11.858
   59   2HD   ARG   9          2HD       ARG   9   0.046  -2.416  11.950
   60    HE   ARG   9           HE       ARG   9   2.851  -2.694  11.725
   61   1HH1  ARG   9          1HH1      ARG   9   0.370  -1.779  14.003
   62   2HH1  ARG   9          2HH1      ARG   9   1.297  -2.244  15.389
   63   1HH2  ARG   9          1HH2      ARG   9   4.072  -3.305  13.547
   64   2HH2  ARG   9          2HH2      ARG   9   3.399  -3.110  15.131
   65    HA   PRO  10           HA       PRO  10  -4.310  -0.935   6.488
   66   1HB   PRO  10          1HB       PRO  10  -4.111  -0.212   3.922
   67   2HB   PRO  10          2HB       PRO  10  -3.821   0.946   5.226
   68   1HG   PRO  10          1HG       PRO  10  -1.851  -0.537   3.535
   69   2HG   PRO  10          2HG       PRO  10  -1.813   1.148   4.082
   70   1HD   PRO  10          1HD       PRO  10  -0.421  -0.925   5.269
   71   2HD   PRO  10          2HD       PRO  10  -0.853   0.594   6.076
   72    H    CYS  11           H        CYS  11  -1.871  -2.369   4.329
   73    HA   CYS  11           HA       CYS  11  -3.803  -4.362   3.430
   74   1HB   CYS  11          1HB       CYS  11  -0.930  -4.139   2.547
   75   2HB   CYS  11          2HB       CYS  11  -2.275  -4.893   1.698
   76    H    ASN  12           H        ASN  12  -3.110  -6.649   3.318
   77    HA   ASN  12           HA       ASN  12  -2.219  -7.532   5.887
   78   1HB   ASN  12          1HB       ASN  12  -3.714  -8.625   3.783
   79   2HB   ASN  12          2HB       ASN  12  -2.273  -9.632   3.892
   80   1HD2  ASN  12          1HD2      ASN  12  -2.363 -11.248   5.263
   81   2HD2  ASN  12          2HD2      ASN  12  -3.413 -11.369   6.630
   82    H    ALA  13           H        ALA  13  -0.718  -9.751   5.456
   83    HA   ALA  13           HA       ALA  13   1.877  -8.602   4.965
   84   1HB   ALA  13          1HB       ALA  13   1.024 -10.506   6.669
   85   2HB   ALA  13          2HB       ALA  13   2.703 -10.328   6.162
   86   3HB   ALA  13          3HB       ALA  13   1.665 -11.514   5.371
   87    H    GLY  14           H        GLY  14   3.054  -8.728   3.164
   88   1HA   GLY  14          1HA       GLY  14   3.911 -10.003   1.301
   89   2HA   GLY  14          2HA       GLY  14   2.333 -10.763   1.156
   90    H    LEU  15           H        LEU  15   1.082  -8.033   1.597
   91    HA   LEU  15           HA       LEU  15   1.535  -7.008  -1.129
   92   1HB   LEU  15          1HB       LEU  15  -1.033  -6.773   0.426
   93   2HB   LEU  15          2HB       LEU  15  -0.774  -6.428  -1.273
   94    HG   LEU  15           HG       LEU  15  -0.163  -8.971  -1.411
   95   1HD1  LEU  15          1HD1      LEU  15  -1.545  -8.712   1.221
   96   2HD1  LEU  15          2HD1      LEU  15  -0.176  -9.725   0.764
   97   3HD1  LEU  15          3HD1      LEU  15  -1.803 -10.150   0.233
   98   1HD2  LEU  15          1HD2      LEU  15  -2.196  -9.276  -2.362
   99   2HD2  LEU  15          2HD2      LEU  15  -2.286  -7.527  -2.160
  100   3HD2  LEU  15          3HD2      LEU  15  -3.065  -8.591  -0.989
  101    H    CYS  16           H        CYS  16   1.567  -4.783  -1.450
  102    HA   CYS  16           HA       CYS  16   1.874  -3.190   1.010
  103   1HB   CYS  16          1HB       CYS  16   3.012  -2.394  -1.657
  104   2HB   CYS  16          2HB       CYS  16   3.507  -1.877  -0.050
  105    H    CYS  17           H        CYS  17   1.488  -0.766   0.557
  106    HA   CYS  17           HA       CYS  17  -1.148  -0.557  -0.691
  107   1HB   CYS  17          1HB       CYS  17  -0.796   0.209   1.669
  108   2HB   CYS  17          2HB       CYS  17   0.274   1.463   1.052
  109    H    SER  18           H        SER  18  -1.413   0.367  -2.609
  110    HA   SER  18           HA       SER  18   0.834   1.704  -3.872
  111   1HB   SER  18          1HB       SER  18  -0.294   1.408  -5.917
  112   2HB   SER  18          2HB       SER  18  -0.707  -0.036  -4.993
  113    HG   SER  18           HG       SER  18  -2.724   0.625  -4.827
  114    H    ILE  19           H        ILE  19   0.942   3.810  -4.426
  115    HA   ILE  19           HA       ILE  19  -0.225   5.771  -2.947
  116    HB   ILE  19           HB       ILE  19   0.397   7.369  -4.738
  117   1HG1  ILE  19          1HG1      ILE  19   1.679   5.263  -6.361
  118   2HG1  ILE  19          2HG1      ILE  19  -0.077   5.318  -6.468
  119   1HG2  ILE  19          1HG2      ILE  19   2.287   5.280  -3.753
  120   2HG2  ILE  19          2HG2      ILE  19   2.152   6.979  -3.300
  121   3HG2  ILE  19          3HG2      ILE  19   2.864   6.534  -4.851
  122   1HD1  ILE  19          1HD1      ILE  19  -0.053   7.180  -7.690
  123   2HD1  ILE  19          2HD1      ILE  19   1.647   6.797  -7.966
  124   3HD1  ILE  19          3HD1      ILE  19   1.194   7.933  -6.694
  125    H    TYR  20           H        TYR  20  -1.557   4.221  -5.781
  126    HA   TYR  20           HA       TYR  20  -3.538   6.141  -6.383
  127   1HB   TYR  20          1HB       TYR  20  -2.694   3.708  -7.460
  128   2HB   TYR  20          2HB       TYR  20  -4.366   3.424  -6.988
  129    HD1  TYR  20           HD1      TYR  20  -6.184   4.630  -8.064
  130    HD2  TYR  20           HD2      TYR  20  -2.141   5.301  -9.206
  131    HE1  TYR  20           HE1      TYR  20  -6.955   5.772 -10.101
  132    HE2  TYR  20           HE2      TYR  20  -2.901   6.447 -11.245
  133    HH   TYR  20           HH       TYR  20  -5.385   7.768 -11.798
  134    H    GLY  21           H        GLY  21  -3.235   4.011  -3.759
  135   1HA   GLY  21          1HA       GLY  21  -4.663   4.109  -1.875
  136   2HA   GLY  21          2HA       GLY  21  -5.965   4.657  -2.922
  137    H    TYR  22           H        TYR  22  -3.827   1.870  -3.353
  138    HA   TYR  22           HA       TYR  22  -5.907   0.008  -2.595
  139   1HB   TYR  22          1HB       TYR  22  -5.303   0.638  -5.428
  140   2HB   TYR  22          2HB       TYR  22  -5.459  -1.069  -5.026
  141    HD1  TYR  22           HD1      TYR  22  -7.205   2.021  -5.632
  142    HD2  TYR  22           HD2      TYR  22  -7.602  -1.877  -3.974
  143    HE1  TYR  22           HE1      TYR  22  -9.652   2.226  -5.751
  144    HE2  TYR  22           HE2      TYR  22 -10.050  -1.683  -4.089
  145    HH   TYR  22           HH       TYR  22 -11.672   0.130  -5.864
  146    H    CYS  23           H        CYS  23  -5.152  -2.077  -2.248
  147    HA   CYS  23           HA       CYS  23  -2.292  -2.287  -1.902
  148   1HB   CYS  23          1HB       CYS  23  -4.461  -4.316  -1.329
  149   2HB   CYS  23          2HB       CYS  23  -2.789  -4.405  -0.785
  150    H    GLY  24           H        GLY  24  -1.193  -4.378  -2.539
  151   1HA   GLY  24          1HA       GLY  24  -2.073  -6.046  -4.577
  152   2HA   GLY  24          2HA       GLY  24  -1.326  -4.663  -5.360
  153    H    SER  25           H        SER  25   0.314  -5.976  -6.230
  154    HA   SER  25           HA       SER  25   2.509  -6.440  -4.380
  155   1HB   SER  25          1HB       SER  25   2.872  -8.724  -4.976
  156   2HB   SER  25          2HB       SER  25   1.169  -8.588  -4.540
  157    HG   SER  25           HG       SER  25   2.319  -8.790  -7.114
  158    H    GLY  26           H        GLY  26   4.272  -7.709  -6.010
  159   1HA   GLY  26          1HA       GLY  26   5.685  -7.436  -7.807
  160   2HA   GLY  26          2HA       GLY  26   4.362  -6.648  -8.654
  161    H    ALA  27           H        ALA  27   6.215  -5.326  -9.450
  162    HA   ALA  27           HA       ALA  27   7.401  -3.467  -7.592
  163   1HB   ALA  27          1HB       ALA  27   8.873  -3.979  -9.290
  164   2HB   ALA  27          2HB       ALA  27   8.218  -2.437  -9.841
  165   3HB   ALA  27          3HB       ALA  27   7.621  -3.946 -10.531
  166    H    ALA  28           H        ALA  28   4.501  -3.603  -9.363
  167    HA   ALA  28           HA       ALA  28   4.182  -0.772  -9.746
  168   1HB   ALA  28          1HB       ALA  28   2.367  -1.301 -10.968
  169   2HB   ALA  28          2HB       ALA  28   1.778  -2.467  -9.783
  170   3HB   ALA  28          3HB       ALA  28   3.049  -2.927 -10.916
  171    H    TYR  29           H        TYR  29   3.253  -3.139  -7.331
  172    HA   TYR  29           HA       TYR  29   1.902  -1.011  -5.808
  173   1HB   TYR  29          1HB       TYR  29   1.588  -4.014  -5.695
  174   2HB   TYR  29          2HB       TYR  29   0.858  -2.913  -4.530
  175    HD1  TYR  29           HD1      TYR  29   0.979  -3.683  -8.170
  176    HD2  TYR  29           HD2      TYR  29  -1.228  -1.954  -4.969
  177    HE1  TYR  29           HE1      TYR  29  -0.953  -3.396  -9.664
  178    HE2  TYR  29           HE2      TYR  29  -3.166  -1.663  -6.455
  179    HH   TYR  29           HH       TYR  29  -4.050  -2.678  -8.551
  180    H    CYS  30           H        CYS  30   4.428  -3.420  -5.736
  181    HA   CYS  30           HA       CYS  30   5.219  -2.445  -3.069
  182   1HB   CYS  30          1HB       CYS  30   5.492  -5.188  -4.294
  183   2HB   CYS  30          2HB       CYS  30   6.429  -4.688  -2.891
  184    H    GLY  31           H        GLY  31   5.940  -1.155  -5.485
  185   1HA   GLY  31          1HA       GLY  31   8.671  -1.971  -6.077
  186   2HA   GLY  31          2HA       GLY  31   7.780  -0.669  -6.850
  187    H    ALA  32           H        ALA  32   9.273   0.936  -6.641
  188    HA   ALA  32           HA       ALA  32   9.865   1.786  -3.884
  189   1HB   ALA  32          1HB       ALA  32  11.853   2.486  -5.946
  190   2HB   ALA  32          2HB       ALA  32  11.769   0.782  -5.500
  191   3HB   ALA  32          3HB       ALA  32  12.079   2.002  -4.265
  192    H    GLY  33           H        GLY  33   7.683   2.664  -5.464
  193   1HA   GLY  33          1HA       GLY  33   8.053   5.482  -5.274
  194   2HA   GLY  33          2HA       GLY  33   8.046   4.965  -6.953
  195    H    ASN  34           H        ASN  34   6.163   2.887  -6.764
  196    HA   ASN  34           HA       ASN  34   3.740   4.446  -6.750
  197   1HB   ASN  34          1HB       ASN  34   4.179   1.498  -7.273
  198   2HB   ASN  34          2HB       ASN  34   2.673   2.367  -7.548
  199   1HD2  ASN  34          1HD2      ASN  34   4.952   1.002  -9.197
  200   2HD2  ASN  34          2HD2      ASN  34   5.156   2.097 -10.517
  201    H    CYS  35           H        CYS  35   5.358   2.289  -4.591
  202    HA   CYS  35           HA       CYS  35   3.025   1.625  -3.041
  203   1HB   CYS  35          1HB       CYS  35   4.682   0.637  -1.464
  204   2HB   CYS  35          2HB       CYS  35   4.851   0.043  -3.113
  205    H    ARG  36           H        ARG  36   2.037   3.247  -1.983
  206    HA   ARG  36           HA       ARG  36   3.520   5.461  -0.884
  207   1HB   ARG  36          1HB       ARG  36   1.331   5.878  -1.825
  208   2HB   ARG  36          2HB       ARG  36   0.594   4.724  -0.723
  209   1HG   ARG  36          1HG       ARG  36   0.849   6.136   1.114
  210   2HG   ARG  36          2HG       ARG  36   2.055   7.132   0.297
  211   1HD   ARG  36          1HD       ARG  36  -0.147   8.238   0.481
  212   2HD   ARG  36          2HD       ARG  36   0.379   8.024  -1.188
  213    HE   ARG  36           HE       ARG  36  -1.141   5.837  -0.747
  214   1HH1  ARG  36          1HH1      ARG  36  -1.696   9.249  -0.267
  215   2HH1  ARG  36          2HH1      ARG  36  -3.402   9.137  -0.537
  216   1HH2  ARG  36          1HH2      ARG  36  -3.385   5.688  -1.104
  217   2HH2  ARG  36          2HH2      ARG  36  -4.362   7.115  -1.012
  218    H    CYS  37           H        CYS  37   1.683   2.715   0.423
  219    HA   CYS  37           HA       CYS  37   3.026   3.177   3.004
  220   1HB   CYS  37          1HB       CYS  37   0.286   3.338   2.525
  221   2HB   CYS  37          2HB       CYS  37   0.505   1.749   3.251
  222    H    GLN  38           H        GLN  38   3.437   1.301   4.286
  223    HA   GLN  38           HA       GLN  38   4.172  -0.815   4.644
  224   1HB   GLN  38          1HB       GLN  38   1.689  -1.127   3.568
  225   2HB   GLN  38          2HB       GLN  38   2.665  -2.052   2.435
  226   1HG   GLN  38          1HG       GLN  38   3.199  -2.551   5.285
  227   2HG   GLN  38          2HG       GLN  38   1.617  -3.059   4.695
  228   1HE2  GLN  38          1HE2      GLN  38   1.630  -5.134   4.242
  229   2HE2  GLN  38          2HE2      GLN  38   2.903  -6.002   3.460
  230    H    CYS  39           H        CYS  39   5.825   0.716   3.146
  231    HA   CYS  39           HA       CYS  39   6.944  -1.239   1.256
  232   1HB   CYS  39          1HB       CYS  39   5.871   1.042   0.363
  233   2HB   CYS  39          2HB       CYS  39   7.475   1.645   0.768
  234    H    ARG  40           H        ARG  40   7.587   1.475   3.417
  235    HA   ARG  40           HA       ARG  40  10.431   0.940   3.434
  236   1HB   ARG  40          1HB       ARG  40   8.677   3.098   4.290
  237   2HB   ARG  40          2HB       ARG  40   9.893   2.722   5.502
  238   1HG   ARG  40          1HG       ARG  40  10.875   4.371   4.186
  239   2HG   ARG  40          2HG       ARG  40  11.585   2.867   3.595
  240   1HD   ARG  40          1HD       ARG  40  10.146   2.849   1.693
  241   2HD   ARG  40          2HD       ARG  40   9.188   4.184   2.334
  242    HE   ARG  40           HE       ARG  40  11.669   5.243   2.131
  243   1HH1  ARG  40          1HH1      ARG  40   9.605   3.545  -0.113
  244   2HH1  ARG  40          2HH1      ARG  40  10.234   4.362  -1.504
  245   1HH2  ARG  40          1HH2      ARG  40  12.497   6.320   0.303
  246   2HH2  ARG  40          2HH2      ARG  40  11.876   5.938  -1.269
  247    H    GLY  41           H        GLY  41   7.632   0.144   5.324
  248   1HA   GLY  41          1HA       GLY  41   7.441  -1.472   6.973
  249   2HA   GLY  41          2HA       GLY  41   9.182  -1.699   6.906
  Start of MODEL   20
    1    HN   PCA   1           HN       PCA   1  -8.088   3.347  -1.604
    2    HA   PCA   1           HA       PCA   1  -8.795   5.695  -2.045
    3   1HB   PCA   1          1HB       PCA   1 -11.048   5.811  -2.330
    4   2HB   PCA   1          2HB       PCA   1 -11.364   4.866  -0.871
    5   1HG   PCA   1          1HG       PCA   1 -11.051   3.968  -3.655
    6   2HG   PCA   1          2HG       PCA   1 -11.830   3.149  -2.289
    7    H    THR   2           H        THR   2  -9.195   3.365   0.535
    8    HA   THR   2           HA       THR   2  -8.562   5.479   2.478
    9    HB   THR   2           HB       THR   2 -10.004   4.017   4.091
   10    HG1  THR   2           HG1      THR   2 -10.331   2.422   2.354
   11   1HG2  THR   2          1HG2      THR   2 -12.109   5.176   3.359
   12   2HG2  THR   2          2HG2      THR   2 -11.178   5.839   2.016
   13   3HG2  THR   2          3HG2      THR   2 -10.725   6.221   3.677
   14    H    CYS   3           H        CYS   3  -6.653   3.887   1.288
   15    HA   CYS   3           HA       CYS   3  -6.050   1.744   3.182
   16   1HB   CYS   3          1HB       CYS   3  -5.763   1.102   0.903
   17   2HB   CYS   3          2HB       CYS   3  -4.845   2.556   0.536
   18    H    ALA   4           H        ALA   4  -4.879   4.884   2.134
   19    HA   ALA   4           HA       ALA   4  -2.392   4.851   3.442
   20   1HB   ALA   4          1HB       ALA   4  -2.182   6.999   2.762
   21   2HB   ALA   4          2HB       ALA   4  -3.818   7.432   3.259
   22   3HB   ALA   4          3HB       ALA   4  -3.557   6.560   1.749
   23    H    SER   5           H        SER   5  -5.602   5.815   4.535
   24    HA   SER   5           HA       SER   5  -4.788   6.868   7.032
   25   1HB   SER   5          1HB       SER   5  -7.324   6.193   7.550
   26   2HB   SER   5          2HB       SER   5  -6.909   7.587   6.552
   27    HG   SER   5           HG       SER   5  -8.508   6.058   5.675
   28    H    ARG   6           H        ARG   6  -5.367   3.639   5.898
   29    HA   ARG   6           HA       ARG   6  -5.641   2.487   8.522
   30   1HB   ARG   6          1HB       ARG   6  -5.830   1.582   5.761
   31   2HB   ARG   6          2HB       ARG   6  -4.979   0.430   6.780
   32   1HG   ARG   6          1HG       ARG   6  -6.863   0.354   8.309
   33   2HG   ARG   6          2HG       ARG   6  -7.715   1.557   7.339
   34   1HD   ARG   6          1HD       ARG   6  -7.126  -0.299   5.455
   35   2HD   ARG   6          2HD       ARG   6  -7.322  -1.323   6.877
   36    HE   ARG   6           HE       ARG   6  -9.449   0.572   6.543
   37   1HH1  ARG   6          1HH1      ARG   6  -8.265  -2.570   5.596
   38   2HH1  ARG   6          2HH1      ARG   6  -9.837  -3.185   5.210
   39   1HH2  ARG   6          1HH2      ARG   6 -11.517  -0.232   6.033
   40   2HH2  ARG   6          2HH2      ARG   6 -11.684  -1.857   5.457
   41    H    CYS   7           H        CYS   7  -3.042   3.286   6.398
   42    HA   CYS   7           HA       CYS   7  -1.035   1.543   6.961
   43   1HB   CYS   7          1HB       CYS   7  -0.922   3.591   5.496
   44   2HB   CYS   7          2HB       CYS   7  -0.678   4.546   6.952
   45    HA   PRO   8           HA       PRO   8   0.742   1.014   7.476
   46   1HB   PRO   8          1HB       PRO   8   2.490  -0.244   9.033
   47   2HB   PRO   8          2HB       PRO   8   2.667   1.481   8.687
   48   1HG   PRO   8          1HG       PRO   8   1.776   0.136  11.173
   49   2HG   PRO   8          2HG       PRO   8   2.584   1.698  10.966
   50   1HD   PRO   8          1HD       PRO   8  -0.219   1.192  11.313
   51   2HD   PRO   8          2HD       PRO   8   0.585   2.755  11.071
   52    H    ARG   9           H        ARG   9  -1.822   0.163   8.447
   53    HA   ARG   9           HA       ARG   9  -1.374  -2.723   8.387
   54   1HB   ARG   9          1HB       ARG   9  -2.977  -1.281  10.496
   55   2HB   ARG   9          2HB       ARG   9  -3.173  -2.995  10.159
   56   1HG   ARG   9          1HG       ARG   9  -0.415  -2.079  10.657
   57   2HG   ARG   9          2HG       ARG   9  -1.520  -2.027  12.031
   58   1HD   ARG   9          1HD       ARG   9  -1.614  -4.267  12.198
   59   2HD   ARG   9          2HD       ARG   9  -1.647  -4.495  10.450
   60    HE   ARG   9           HE       ARG   9   0.902  -3.754  10.898
   61   1HH1  ARG   9          1HH1      ARG   9  -1.134  -6.181  12.363
   62   2HH1  ARG   9          2HH1      ARG   9   0.184  -7.239  12.737
   63   1HH2  ARG   9          1HH2      ARG   9   2.636  -5.149  11.385
   64   2HH2  ARG   9          2HH2      ARG   9   2.324  -6.655  12.182
   65    HA   PRO  10           HA       PRO  10  -5.074  -1.211   5.908
   66   1HB   PRO  10          1HB       PRO  10  -4.070  -1.029   3.441
   67   2HB   PRO  10          2HB       PRO  10  -3.874   0.287   4.606
   68   1HG   PRO  10          1HG       PRO  10  -1.916  -1.811   3.769
   69   2HG   PRO  10          2HG       PRO  10  -1.649  -0.086   4.074
   70   1HD   PRO  10          1HD       PRO  10  -1.101  -2.112   5.879
   71   2HD   PRO  10          2HD       PRO  10  -1.370  -0.414   6.313
   72    H    CYS  11           H        CYS  11  -2.562  -3.557   5.098
   73    HA   CYS  11           HA       CYS  11  -4.656  -5.500   4.466
   74   1HB   CYS  11          1HB       CYS  11  -2.294  -4.887   2.680
   75   2HB   CYS  11          2HB       CYS  11  -3.335  -6.296   2.498
   76    H    ASN  12           H        ASN  12  -3.638  -7.746   4.185
   77    HA   ASN  12           HA       ASN  12  -2.330  -8.443   6.556
   78   1HB   ASN  12          1HB       ASN  12  -3.410  -9.797   4.276
   79   2HB   ASN  12          2HB       ASN  12  -1.822 -10.471   4.630
   80   1HD2  ASN  12          1HD2      ASN  12  -2.393 -12.380   5.486
   81   2HD2  ASN  12          2HD2      ASN  12  -3.339 -12.568   6.920
   82    H    ALA  13           H        ALA  13  -0.304 -10.152   6.045
   83    HA   ALA  13           HA       ALA  13   1.873  -8.332   5.463
   84   1HB   ALA  13          1HB       ALA  13   1.588 -10.955   6.797
   85   2HB   ALA  13          2HB       ALA  13   2.519  -9.535   7.271
   86   3HB   ALA  13          3HB       ALA  13   3.138 -10.620   6.027
   87    H    GLY  14           H        GLY  14   3.269  -8.442   3.763
   88   1HA   GLY  14          1HA       GLY  14   4.337  -9.686   1.983
   89   2HA   GLY  14          2HA       GLY  14   2.851 -10.606   1.804
   90    H    LEU  15           H        LEU  15   1.216  -8.136   2.041
   91    HA   LEU  15           HA       LEU  15   1.526  -7.273  -0.739
   92   1HB   LEU  15          1HB       LEU  15  -0.760  -7.206   1.208
   93   2HB   LEU  15          2HB       LEU  15  -0.789  -6.249  -0.261
   94    HG   LEU  15           HG       LEU  15  -0.106  -8.986  -0.871
   95   1HD1  LEU  15          1HD1      LEU  15  -1.320  -9.959   0.773
   96   2HD1  LEU  15          2HD1      LEU  15  -2.643  -9.616  -0.342
   97   3HD1  LEU  15          3HD1      LEU  15  -2.335  -8.537   1.019
   98   1HD2  LEU  15          1HD2      LEU  15  -2.019  -6.898  -1.720
   99   2HD2  LEU  15          2HD2      LEU  15  -2.454  -8.569  -2.077
  100   3HD2  LEU  15          3HD2      LEU  15  -0.935  -7.906  -2.680
  101    H    CYS  16           H        CYS  16   1.099  -4.982  -1.249
  102    HA   CYS  16           HA       CYS  16   1.882  -3.153   0.914
  103   1HB   CYS  16          1HB       CYS  16   2.970  -2.884  -1.883
  104   2HB   CYS  16          2HB       CYS  16   3.508  -2.064  -0.422
  105    H    CYS  17           H        CYS  17   1.457  -0.856   0.369
  106    HA   CYS  17           HA       CYS  17  -1.071  -0.648  -1.103
  107   1HB   CYS  17          1HB       CYS  17  -0.834   0.082   1.345
  108   2HB   CYS  17          2HB       CYS  17   0.090   1.445   0.727
  109    H    SER  18           H        SER  18  -1.198   0.432  -2.966
  110    HA   SER  18           HA       SER  18   1.197   1.717  -4.000
  111   1HB   SER  18          1HB       SER  18   0.072   1.682  -6.152
  112   2HB   SER  18          2HB       SER  18  -0.075   0.097  -5.394
  113    HG   SER  18           HG       SER  18  -2.035   2.119  -5.640
  114    H    ILE  19           H        ILE  19   1.360   3.829  -4.625
  115    HA   ILE  19           HA       ILE  19   0.229   5.831  -3.175
  116    HB   ILE  19           HB       ILE  19   0.852   7.383  -5.033
  117   1HG1  ILE  19          1HG1      ILE  19   2.345   5.893  -6.752
  118   2HG1  ILE  19          2HG1      ILE  19   0.998   4.798  -6.456
  119   1HG2  ILE  19          1HG2      ILE  19   3.332   6.504  -5.039
  120   2HG2  ILE  19          2HG2      ILE  19   2.699   5.378  -3.839
  121   3HG2  ILE  19          3HG2      ILE  19   2.587   7.116  -3.563
  122   1HD1  ILE  19          1HD1      ILE  19   0.381   6.020  -8.342
  123   2HD1  ILE  19          2HD1      ILE  19   0.950   7.541  -7.654
  124   3HD1  ILE  19          3HD1      ILE  19  -0.506   6.775  -7.018
  125    H    TYR  20           H        TYR  20  -1.012   4.445  -6.161
  126    HA   TYR  20           HA       TYR  20  -2.983   6.314  -6.762
  127   1HB   TYR  20          1HB       TYR  20  -2.685   3.380  -7.291
  128   2HB   TYR  20          2HB       TYR  20  -4.192   4.187  -7.710
  129    HD1  TYR  20           HD1      TYR  20  -4.086   6.177  -9.289
  130    HD2  TYR  20           HD2      TYR  20  -0.808   3.530  -8.696
  131    HE1  TYR  20           HE1      TYR  20  -3.090   6.947 -11.401
  132    HE2  TYR  20           HE2      TYR  20   0.197   4.294 -10.807
  133    HH   TYR  20           HH       TYR  20  -0.043   6.618 -12.226
  134    H    GLY  21           H        GLY  21  -2.818   4.031  -4.189
  135   1HA   GLY  21          1HA       GLY  21  -4.221   4.275  -2.267
  136   2HA   GLY  21          2HA       GLY  21  -5.496   4.876  -3.318
  137    H    TYR  22           H        TYR  22  -3.469   1.978  -3.625
  138    HA   TYR  22           HA       TYR  22  -5.696   0.251  -2.948
  139   1HB   TYR  22          1HB       TYR  22  -4.516   0.118  -5.728
  140   2HB   TYR  22          2HB       TYR  22  -5.797  -0.899  -5.077
  141    HD1  TYR  22           HD1      TYR  22  -4.966   2.354  -6.495
  142    HD2  TYR  22           HD2      TYR  22  -8.054   0.009  -4.744
  143    HE1  TYR  22           HE1      TYR  22  -6.642   3.951  -7.324
  144    HE2  TYR  22           HE2      TYR  22  -9.738   1.599  -5.568
  145    HH   TYR  22           HH       TYR  22  -9.955   3.283  -7.368
  146    H    CYS  23           H        CYS  23  -5.070  -1.784  -2.346
  147    HA   CYS  23           HA       CYS  23  -2.301  -2.154  -1.743
  148   1HB   CYS  23          1HB       CYS  23  -4.837  -3.454  -1.086
  149   2HB   CYS  23          2HB       CYS  23  -3.516  -4.598  -1.297
  150    H    GLY  24           H        GLY  24  -1.232  -4.317  -2.249
  151   1HA   GLY  24          1HA       GLY  24  -1.865  -5.924  -4.404
  152   2HA   GLY  24          2HA       GLY  24  -1.001  -4.553  -5.080
  153    H    SER  25           H        SER  25   0.783  -5.735  -5.733
  154    HA   SER  25           HA       SER  25   2.740  -6.226  -3.686
  155   1HB   SER  25          1HB       SER  25   3.152  -8.607  -4.473
  156   2HB   SER  25          2HB       SER  25   1.691  -8.362  -3.516
  157    HG   SER  25           HG       SER  25   1.353  -9.633  -5.422
  158    H    GLY  26           H        GLY  26   4.703  -7.471  -4.922
  159   1HA   GLY  26          1HA       GLY  26   6.374  -7.213  -6.473
  160   2HA   GLY  26          2HA       GLY  26   5.091  -7.014  -7.656
  161    H    ALA  27           H        ALA  27   6.488  -5.496  -8.726
  162    HA   ALA  27           HA       ALA  27   7.092  -3.012  -7.357
  163   1HB   ALA  27          1HB       ALA  27   8.409  -4.348  -9.282
  164   2HB   ALA  27          2HB       ALA  27   8.588  -2.617  -8.999
  165   3HB   ALA  27          3HB       ALA  27   7.510  -3.195 -10.269
  166    H    ALA  28           H        ALA  28   4.290  -4.112  -8.436
  167    HA   ALA  28           HA       ALA  28   3.480  -1.813 -10.017
  168   1HB   ALA  28          1HB       ALA  28   1.718  -4.060  -9.077
  169   2HB   ALA  28          2HB       ALA  28   2.738  -4.177 -10.511
  170   3HB   ALA  28          3HB       ALA  28   1.459  -2.965 -10.435
  171    H    TYR  29           H        TYR  29   2.977  -3.168  -6.811
  172    HA   TYR  29           HA       TYR  29   1.644  -0.658  -6.045
  173   1HB   TYR  29          1HB       TYR  29   0.973  -3.393  -4.949
  174   2HB   TYR  29          2HB       TYR  29   0.184  -1.874  -4.538
  175    HD1  TYR  29           HD1      TYR  29  -1.630  -1.084  -5.807
  176    HD2  TYR  29           HD2      TYR  29   0.778  -4.242  -7.335
  177    HE1  TYR  29           HE1      TYR  29  -3.248  -1.431  -7.624
  178    HE2  TYR  29           HE2      TYR  29  -0.834  -4.596  -9.159
  179    HH   TYR  29           HH       TYR  29  -2.630  -3.021 -10.361
  180    H    CYS  30           H        CYS  30   4.369  -2.419  -5.660
  181    HA   CYS  30           HA       CYS  30   4.747  -1.445  -2.907
  182   1HB   CYS  30          1HB       CYS  30   4.624  -4.041  -3.391
  183   2HB   CYS  30          2HB       CYS  30   6.296  -3.803  -3.888
  184    H    GLY  31           H        GLY  31   6.075  -1.852  -6.110
  185   1HA   GLY  31          1HA       GLY  31   8.745  -1.212  -5.670
  186   2HA   GLY  31          2HA       GLY  31   7.865  -0.866  -7.150
  187    H    ALA  32           H        ALA  32   9.722   0.888  -6.668
  188    HA   ALA  32           HA       ALA  32   9.001   3.018  -4.921
  189   1HB   ALA  32          1HB       ALA  32  10.932   2.925  -7.235
  190   2HB   ALA  32          2HB       ALA  32  11.308   2.702  -5.526
  191   3HB   ALA  32          3HB       ALA  32  10.773   4.277  -6.113
  192    H    GLY  33           H        GLY  33   8.329   5.151  -5.513
  193   1HA   GLY  33          1HA       GLY  33   6.924   6.633  -6.559
  194   2HA   GLY  33          2HA       GLY  33   7.520   5.951  -8.065
  195    H    ASN  34           H        ASN  34   5.979   3.838  -5.817
  196    HA   ASN  34           HA       ASN  34   3.332   4.135  -6.895
  197   1HB   ASN  34          1HB       ASN  34   4.981   2.639  -8.457
  198   2HB   ASN  34          2HB       ASN  34   4.332   1.400  -7.388
  199   1HD2  ASN  34          1HD2      ASN  34   3.629   0.868  -9.738
  200   2HD2  ASN  34          2HD2      ASN  34   2.037   1.394 -10.153
  201    H    CYS  35           H        CYS  35   4.604   4.148  -4.297
  202    HA   CYS  35           HA       CYS  35   2.984   2.063  -3.039
  203   1HB   CYS  35          1HB       CYS  35   5.233   1.129  -3.120
  204   2HB   CYS  35          2HB       CYS  35   5.890   2.587  -2.386
  205    H    ARG  36           H        ARG  36   1.644   3.023  -1.677
  206    HA   ARG  36           HA       ARG  36   2.244   5.670  -0.642
  207   1HB   ARG  36          1HB       ARG  36  -0.031   4.889  -1.564
  208   2HB   ARG  36          2HB       ARG  36  -0.221   4.054  -0.029
  209   1HG   ARG  36          1HG       ARG  36  -1.304   6.049   0.354
  210   2HG   ARG  36          2HG       ARG  36   0.301   6.362   1.016
  211   1HD   ARG  36          1HD       ARG  36   0.361   8.170  -0.282
  212   2HD   ARG  36          2HD       ARG  36   0.522   7.073  -1.653
  213    HE   ARG  36           HE       ARG  36  -2.148   7.195  -1.294
  214   1HH1  ARG  36          1HH1      ARG  36   0.309   9.653  -1.606
  215   2HH1  ARG  36          2HH1      ARG  36  -0.759  10.805  -2.333
  216   1HH2  ARG  36          1HH2      ARG  36  -3.554   8.709  -2.250
  217   2HH2  ARG  36          2HH2      ARG  36  -2.953  10.270  -2.698
  218    H    CYS  37           H        CYS  37   1.793   2.385   0.530
  219    HA   CYS  37           HA       CYS  37   3.169   3.079   2.991
  220   1HB   CYS  37          1HB       CYS  37   0.858   3.490   3.611
  221   2HB   CYS  37          2HB       CYS  37   0.373   1.922   2.976
  222    H    GLN  38           H        GLN  38   3.867   1.192   4.199
  223    HA   GLN  38           HA       GLN  38   4.748  -0.895   4.404
  224   1HB   GLN  38          1HB       GLN  38   2.832  -1.733   2.221
  225   2HB   GLN  38          2HB       GLN  38   3.641  -2.780   3.379
  226   1HG   GLN  38          1HG       GLN  38   2.388  -1.687   5.197
  227   2HG   GLN  38          2HG       GLN  38   1.534  -0.722   3.995
  228   1HE2  GLN  38          1HE2      GLN  38   1.353  -3.414   5.865
  229   2HE2  GLN  38          2HE2      GLN  38   0.176  -4.311   4.973
  230    H    CYS  39           H        CYS  39   6.151   0.881   2.921
  231    HA   CYS  39           HA       CYS  39   7.039  -0.556   0.523
  232   1HB   CYS  39          1HB       CYS  39   8.062   2.146   1.336
  233   2HB   CYS  39          2HB       CYS  39   7.927   1.452  -0.276
  234    H    ARG  40           H        ARG  40   8.087   0.535   3.673
  235    HA   ARG  40           HA       ARG  40  10.268  -1.324   3.672
  236   1HB   ARG  40          1HB       ARG  40  12.025   0.389   4.118
  237   2HB   ARG  40          2HB       ARG  40  11.399   0.428   2.475
  238   1HG   ARG  40          1HG       ARG  40   9.807   2.258   3.408
  239   2HG   ARG  40          2HG       ARG  40  11.007   2.379   4.697
  240   1HD   ARG  40          1HD       ARG  40  12.716   2.978   3.182
  241   2HD   ARG  40          2HD       ARG  40  11.748   2.504   1.786
  242    HE   ARG  40           HE       ARG  40  10.717   4.550   1.844
  243   1HH1  ARG  40          1HH1      ARG  40  12.431   4.057   4.845
  244   2HH1  ARG  40          2HH1      ARG  40  12.187   5.680   5.395
  245   1HH2  ARG  40          1HH2      ARG  40  10.399   6.686   2.565
  246   2HH2  ARG  40          2HH2      ARG  40  11.034   7.173   4.101
  247    H    GLY  41           H        GLY  41   7.865  -0.707   5.220
  248   1HA   GLY  41          1HA       GLY  41   8.787  -1.203   7.792
  249   2HA   GLY  41          2HA       GLY  41   8.566   0.536   7.673
  Start of MODEL   21
    1    HN   PCA   1           HN       PCA   1  -8.096   0.280  -1.033
    2    HA   PCA   1           HA       PCA   1  -8.990   2.084  -2.498
    3   1HB   PCA   1          1HB       PCA   1 -11.258   1.976  -2.603
    4   2HB   PCA   1          2HB       PCA   1 -11.416   1.882  -0.846
    5   1HG   PCA   1          1HG       PCA   1 -11.232  -0.280  -2.828
    6   2HG   PCA   1          2HG       PCA   1 -11.854  -0.325  -1.169
    7    H    THR   2           H        THR   2  -8.822   1.309   0.870
    8    HA   THR   2           HA       THR   2  -8.251   4.115   1.473
    9    HB   THR   2           HB       THR   2  -9.548   3.867   3.625
   10    HG1  THR   2           HG1      THR   2 -10.643   1.630   2.272
   11   1HG2  THR   2          1HG2      THR   2 -10.722   5.207   2.196
   12   2HG2  THR   2          2HG2      THR   2 -11.859   3.877   2.413
   13   3HG2  THR   2          3HG2      THR   2 -10.862   3.957   0.960
   14    H    CYS   3           H        CYS   3  -6.313   2.282   1.094
   15    HA   CYS   3           HA       CYS   3  -5.562   1.076   3.616
   16   1HB   CYS   3          1HB       CYS   3  -3.537   0.341   2.353
   17   2HB   CYS   3          2HB       CYS   3  -5.052  -0.167   1.616
   18    H    ALA   4           H        ALA   4  -4.749   3.893   1.713
   19    HA   ALA   4           HA       ALA   4  -2.333   4.624   2.875
   20   1HB   ALA   4          1HB       ALA   4  -2.810   6.879   2.117
   21   2HB   ALA   4          2HB       ALA   4  -4.511   6.465   1.905
   22   3HB   ALA   4          3HB       ALA   4  -3.286   5.705   0.889
   23    H    SER   5           H        SER   5  -5.613   5.575   3.825
   24    HA   SER   5           HA       SER   5  -4.786   7.059   6.098
   25   1HB   SER   5          1HB       SER   5  -7.136   6.807   4.703
   26   2HB   SER   5          2HB       SER   5  -7.507   5.957   6.202
   27    HG   SER   5           HG       SER   5  -7.136   8.631   5.748
   28    H    ARG   6           H        ARG   6  -5.347   3.692   5.542
   29    HA   ARG   6           HA       ARG   6  -5.356   3.160   8.429
   30   1HB   ARG   6          1HB       ARG   6  -6.910   2.099   6.429
   31   2HB   ARG   6          2HB       ARG   6  -5.673   0.865   6.630
   32   1HG   ARG   6          1HG       ARG   6  -6.341   1.397   9.215
   33   2HG   ARG   6          2HG       ARG   6  -7.883   1.625   8.389
   34   1HD   ARG   6          1HD       ARG   6  -7.536  -0.602   7.306
   35   2HD   ARG   6          2HD       ARG   6  -6.124  -0.822   8.338
   36    HE   ARG   6           HE       ARG   6  -7.518  -1.261  10.105
   37   1HH1  ARG   6          1HH1      ARG   6  -9.381   0.129   7.501
   38   2HH1  ARG   6          2HH1      ARG   6 -10.906  -0.187   8.257
   39   1HH2  ARG   6          1HH2      ARG   6  -9.523  -1.679  11.099
   40   2HH2  ARG   6          2HH2      ARG   6 -10.987  -1.213  10.300
   41    H    CYS   7           H        CYS   7  -2.972   3.919   6.803
   42    HA   CYS   7           HA       CYS   7  -1.390   1.479   6.814
   43   1HB   CYS   7          1HB       CYS   7  -0.178   2.485   5.227
   44   2HB   CYS   7          2HB       CYS   7  -1.357   3.785   5.253
   45    HA   PRO   8           HA       PRO   8   1.015   1.606   6.592
   46   1HB   PRO   8          1HB       PRO   8   3.091   0.404   7.746
   47   2HB   PRO   8          2HB       PRO   8   3.068   2.158   7.520
   48   1HG   PRO   8          1HG       PRO   8   2.546   0.557   9.988
   49   2HG   PRO   8          2HG       PRO   8   3.418   2.089   9.808
   50   1HD   PRO   8          1HD       PRO   8   0.773   1.824  10.639
   51   2HD   PRO   8          2HD       PRO   8   1.510   3.311  10.013
   52    H    ARG   9           H        ARG   9  -1.071   0.415   8.584
   53    HA   ARG   9           HA       ARG   9  -0.591  -2.373   7.792
   54   1HB   ARG   9          1HB       ARG   9  -1.835  -2.910  10.031
   55   2HB   ARG   9          2HB       ARG   9  -0.108  -2.584  10.042
   56   1HG   ARG   9          1HG       ARG   9  -0.341  -0.711  11.247
   57   2HG   ARG   9          2HG       ARG   9  -1.794  -0.211  10.380
   58   1HD   ARG   9          1HD       ARG   9  -2.976  -2.084  11.665
   59   2HD   ARG   9          2HD       ARG   9  -1.548  -2.104  12.699
   60    HE   ARG   9           HE       ARG   9  -2.670   0.515  12.380
   61   1HH1  ARG   9          1HH1      ARG   9  -2.890  -2.469  14.177
   62   2HH1  ARG   9          2HH1      ARG   9  -3.619  -1.727  15.561
   63   1HH2  ARG   9          1HH2      ARG   9  -3.628   1.492  14.199
   64   2HH2  ARG   9          2HH2      ARG   9  -4.039   0.522  15.574
   65    HA   PRO  10           HA       PRO  10  -4.905  -0.964   6.764
   66   1HB   PRO  10          1HB       PRO  10  -4.720  -0.657   4.115
   67   2HB   PRO  10          2HB       PRO  10  -4.187   0.609   5.227
   68   1HG   PRO  10          1HG       PRO  10  -2.571  -1.345   3.663
   69   2HG   PRO  10          2HG       PRO  10  -2.210   0.339   4.075
   70   1HD   PRO  10          1HD       PRO  10  -1.225  -1.931   5.390
   71   2HD   PRO  10          2HD       PRO  10  -1.175  -0.268   6.000
   72    H    CYS  11           H        CYS  11  -2.915  -3.037   4.636
   73    HA   CYS  11           HA       CYS  11  -5.175  -4.917   4.495
   74   1HB   CYS  11          1HB       CYS  11  -2.901  -4.383   2.585
   75   2HB   CYS  11          2HB       CYS  11  -3.933  -5.803   2.456
   76    H    ASN  12           H        ASN  12  -4.162  -7.227   3.842
   77    HA   ASN  12           HA       ASN  12  -2.961  -8.198   6.199
   78   1HB   ASN  12          1HB       ASN  12  -3.578  -9.370   3.512
   79   2HB   ASN  12          2HB       ASN  12  -2.574 -10.278   4.639
   80   1HD2  ASN  12          1HD2      ASN  12  -5.504  -8.283   4.871
   81   2HD2  ASN  12          2HD2      ASN  12  -6.424  -9.440   5.765
   82    H    ALA  13           H        ALA  13  -0.976  -9.856   5.746
   83    HA   ALA  13           HA       ALA  13   1.262  -8.111   5.257
   84   1HB   ALA  13          1HB       ALA  13   1.067  -9.920   7.068
   85   2HB   ALA  13          2HB       ALA  13   2.599  -9.769   6.208
   86   3HB   ALA  13          3HB       ALA  13   1.472 -11.056   5.781
   87    H    GLY  14           H        GLY  14   2.575  -8.051   3.520
   88   1HA   GLY  14          1HA       GLY  14   3.671  -9.168   1.669
   89   2HA   GLY  14          2HA       GLY  14   2.209 -10.116   1.445
   90    H    LEU  15           H        LEU  15   0.550  -7.651   1.861
   91    HA   LEU  15           HA       LEU  15   0.823  -6.637  -0.877
   92   1HB   LEU  15          1HB       LEU  15  -1.510  -6.462   1.032
   93   2HB   LEU  15          2HB       LEU  15  -1.502  -5.883  -0.623
   94    HG   LEU  15           HG       LEU  15  -0.840  -8.438  -1.081
   95   1HD1  LEU  15          1HD1      LEU  15  -2.059  -8.366   1.616
   96   2HD1  LEU  15          2HD1      LEU  15  -0.899  -9.499   0.922
   97   3HD1  LEU  15          3HD1      LEU  15  -2.609  -9.627   0.512
   98   1HD2  LEU  15          1HD2      LEU  15  -2.630  -7.734  -2.292
   99   2HD2  LEU  15          2HD2      LEU  15  -3.425  -6.998  -0.899
  100   3HD2  LEU  15          3HD2      LEU  15  -3.479  -8.747  -1.123
  101    H    CYS  16           H        CYS  16   1.154  -4.523  -1.327
  102    HA   CYS  16           HA       CYS  16   1.650  -2.754   0.966
  103   1HB   CYS  16          1HB       CYS  16   2.589  -2.382  -1.882
  104   2HB   CYS  16          2HB       CYS  16   3.126  -1.496  -0.459
  105    H    CYS  17           H        CYS  17   1.133  -0.443   0.666
  106    HA   CYS  17           HA       CYS  17  -1.481  -0.176  -0.625
  107   1HB   CYS  17          1HB       CYS  17  -1.388   0.426   1.734
  108   2HB   CYS  17          2HB       CYS  17  -0.088   1.568   1.417
  109    H    SER  18           H        SER  18  -1.319   0.456  -2.686
  110    HA   SER  18           HA       SER  18   0.813   2.001  -3.727
  111   1HB   SER  18          1HB       SER  18  -0.770   2.244  -5.727
  112   2HB   SER  18          2HB       SER  18  -0.317   0.602  -5.268
  113    HG   SER  18           HG       SER  18  -2.550   0.744  -5.610
  114    H    ILE  19           H        ILE  19   0.993   4.147  -4.168
  115    HA   ILE  19           HA       ILE  19  -0.107   6.044  -2.552
  116    HB   ILE  19           HB       ILE  19   0.488   7.718  -4.352
  117   1HG1  ILE  19          1HG1      ILE  19   1.736   5.393  -5.789
  118   2HG1  ILE  19          2HG1      ILE  19   0.092   5.894  -6.168
  119   1HG2  ILE  19          1HG2      ILE  19   2.291   5.777  -3.047
  120   2HG2  ILE  19          2HG2      ILE  19   2.224   7.534  -2.914
  121   3HG2  ILE  19          3HG2      ILE  19   2.998   6.784  -4.310
  122   1HD1  ILE  19          1HD1      ILE  19   2.662   7.320  -6.631
  123   2HD1  ILE  19          2HD1      ILE  19   1.174   8.246  -6.436
  124   3HD1  ILE  19          3HD1      ILE  19   1.306   7.052  -7.726
  125    H    TYR  20           H        TYR  20  -1.427   4.803  -5.554
  126    HA   TYR  20           HA       TYR  20  -3.381   6.769  -5.998
  127   1HB   TYR  20          1HB       TYR  20  -2.861   4.023  -6.937
  128   2HB   TYR  20          2HB       TYR  20  -4.547   4.525  -7.010
  129    HD1  TYR  20           HD1      TYR  20  -4.937   6.908  -8.090
  130    HD2  TYR  20           HD2      TYR  20  -1.494   4.494  -8.739
  131    HE1  TYR  20           HE1      TYR  20  -4.490   8.118 -10.184
  132    HE2  TYR  20           HE2      TYR  20  -1.038   5.698 -10.833
  133    HH   TYR  20           HH       TYR  20  -2.410   8.596 -11.627
  134    H    GLY  21           H        GLY  21  -3.158   4.356  -3.587
  135   1HA   GLY  21          1HA       GLY  21  -4.579   4.405  -1.674
  136   2HA   GLY  21          2HA       GLY  21  -5.869   5.037  -2.688
  137    H    TYR  22           H        TYR  22  -3.760   2.244  -3.237
  138    HA   TYR  22           HA       TYR  22  -6.070   0.469  -2.887
  139   1HB   TYR  22          1HB       TYR  22  -4.729   1.099  -5.402
  140   2HB   TYR  22          2HB       TYR  22  -4.754  -0.629  -5.065
  141    HD1  TYR  22           HD1      TYR  22  -7.128  -1.514  -4.224
  142    HD2  TYR  22           HD2      TYR  22  -6.512   1.987  -6.561
  143    HE1  TYR  22           HE1      TYR  22  -9.453  -1.640  -5.015
  144    HE2  TYR  22           HE2      TYR  22  -8.836   1.871  -7.358
  145    HH   TYR  22           HH       TYR  22 -10.638  -0.563  -7.425
  146    H    CYS  23           H        CYS  23  -5.250  -1.913  -3.223
  147    HA   CYS  23           HA       CYS  23  -2.671  -2.185  -1.823
  148   1HB   CYS  23          1HB       CYS  23  -5.332  -3.348  -1.231
  149   2HB   CYS  23          2HB       CYS  23  -3.956  -4.432  -1.060
  150    H    GLY  24           H        GLY  24  -1.255  -3.684  -2.583
  151   1HA   GLY  24          1HA       GLY  24  -2.032  -5.840  -4.291
  152   2HA   GLY  24          2HA       GLY  24  -1.313  -4.523  -5.204
  153    H    SER  25           H        SER  25   0.352  -6.047  -5.787
  154    HA   SER  25           HA       SER  25   2.490  -6.094  -3.792
  155   1HB   SER  25          1HB       SER  25   2.937  -8.397  -3.992
  156   2HB   SER  25          2HB       SER  25   1.181  -8.314  -3.852
  157    HG   SER  25           HG       SER  25   1.153  -8.388  -6.197
  158    H    GLY  26           H        GLY  26   4.374  -7.493  -5.182
  159   1HA   GLY  26          1HA       GLY  26   5.939  -7.291  -6.850
  160   2HA   GLY  26          2HA       GLY  26   4.617  -6.830  -7.912
  161    H    ALA  27           H        ALA  27   6.472  -5.491  -8.769
  162    HA   ALA  27           HA       ALA  27   7.288  -3.210  -7.241
  163   1HB   ALA  27          1HB       ALA  27   8.929  -3.655  -8.732
  164   2HB   ALA  27          2HB       ALA  27   8.005  -2.526  -9.723
  165   3HB   ALA  27          3HB       ALA  27   7.809  -4.264  -9.951
  166    H    ALA  28           H        ALA  28   4.414  -3.930  -8.745
  167    HA   ALA  28           HA       ALA  28   3.842  -1.349  -9.868
  168   1HB   ALA  28          1HB       ALA  28   2.815  -3.794 -10.313
  169   2HB   ALA  28          2HB       ALA  28   1.976  -2.295 -10.712
  170   3HB   ALA  28          3HB       ALA  28   1.599  -3.144  -9.213
  171    H    TYR  29           H        TYR  29   3.133  -3.041  -6.862
  172    HA   TYR  29           HA       TYR  29   1.869  -0.583  -5.840
  173   1HB   TYR  29          1HB       TYR  29   1.523  -3.441  -4.915
  174   2HB   TYR  29          2HB       TYR  29   0.771  -2.039  -4.162
  175    HD1  TYR  29           HD1      TYR  29   0.913  -4.011  -7.299
  176    HD2  TYR  29           HD2      TYR  29  -1.241  -1.147  -5.007
  177    HE1  TYR  29           HE1      TYR  29  -0.985  -4.207  -8.850
  178    HE2  TYR  29           HE2      TYR  29  -3.146  -1.335  -6.551
  179    HH   TYR  29           HH       TYR  29  -2.946  -2.727  -9.557
  180    H    CYS  30           H        CYS  30   4.391  -2.932  -5.333
  181    HA   CYS  30           HA       CYS  30   5.140  -1.617  -2.816
  182   1HB   CYS  30          1HB       CYS  30   6.143  -4.226  -3.972
  183   2HB   CYS  30          2HB       CYS  30   6.548  -3.570  -2.390
  184    H    GLY  31           H        GLY  31   6.100  -2.042  -6.107
  185   1HA   GLY  31          1HA       GLY  31   8.849  -1.602  -5.956
  186   2HA   GLY  31          2HA       GLY  31   7.835  -1.159  -7.320
  187    H    ALA  32           H        ALA  32  10.116   0.272  -6.348
  188    HA   ALA  32           HA       ALA  32   9.494   2.464  -4.735
  189   1HB   ALA  32          1HB       ALA  32  11.781   1.739  -5.471
  190   2HB   ALA  32          2HB       ALA  32  11.485   3.475  -5.558
  191   3HB   ALA  32          3HB       ALA  32  11.448   2.500  -7.027
  192    H    GLY  33           H        GLY  33   8.831   4.565  -5.174
  193   1HA   GLY  33          1HA       GLY  33   7.670   6.233  -6.242
  194   2HA   GLY  33          2HA       GLY  33   8.321   5.598  -7.746
  195    H    ASN  34           H        ASN  34   6.410   3.588  -5.645
  196    HA   ASN  34           HA       ASN  34   3.922   4.104  -6.991
  197   1HB   ASN  34          1HB       ASN  34   5.624   1.761  -7.725
  198   2HB   ASN  34          2HB       ASN  34   3.877   1.544  -7.662
  199   1HD2  ASN  34          1HD2      ASN  34   5.454   1.302  -9.975
  200   2HD2  ASN  34          2HD2      ASN  34   4.975   2.538 -11.083
  201    H    CYS  35           H        CYS  35   4.979   3.997  -4.268
  202    HA   CYS  35           HA       CYS  35   2.939   2.252  -3.143
  203   1HB   CYS  35          1HB       CYS  35   4.484   1.233  -1.534
  204   2HB   CYS  35          2HB       CYS  35   4.946   0.841  -3.187
  205    H    ARG  36           H        ARG  36   1.866   3.306  -1.609
  206    HA   ARG  36           HA       ARG  36   2.811   5.863  -0.680
  207   1HB   ARG  36          1HB       ARG  36   0.322   4.797  -1.111
  208   2HB   ARG  36          2HB       ARG  36   0.442   4.741   0.642
  209   1HG   ARG  36          1HG       ARG  36   0.790   7.087   0.777
  210   2HG   ARG  36          2HG       ARG  36   0.986   7.218  -0.972
  211   1HD   ARG  36          1HD       ARG  36  -1.476   6.037  -0.736
  212   2HD   ARG  36          2HD       ARG  36  -1.444   7.129   0.648
  213    HE   ARG  36           HE       ARG  36  -1.565   7.849  -2.134
  214   1HH1  ARG  36          1HH1      ARG  36  -0.698   8.924   1.071
  215   2HH1  ARG  36          2HH1      ARG  36  -0.874  10.604   0.691
  216   1HH2  ARG  36          1HH2      ARG  36  -1.798  10.059  -2.636
  217   2HH2  ARG  36          2HH2      ARG  36  -1.500  11.249  -1.413
  218    H    CYS  37           H        CYS  37   1.747   2.891   0.980
  219    HA   CYS  37           HA       CYS  37   3.721   3.457   3.085
  220   1HB   CYS  37          1HB       CYS  37   1.027   3.784   3.461
  221   2HB   CYS  37          2HB       CYS  37   1.265   2.125   3.999
  222    H    GLN  38           H        GLN  38   4.070   1.482   4.499
  223    HA   GLN  38           HA       GLN  38   4.764  -0.670   4.721
  224   1HB   GLN  38          1HB       GLN  38   2.198  -0.874   3.900
  225   2HB   GLN  38          2HB       GLN  38   3.004  -1.716   2.582
  226   1HG   GLN  38          1HG       GLN  38   4.014  -3.262   4.132
  227   2HG   GLN  38          2HG       GLN  38   3.335  -2.378   5.499
  228   1HE2  GLN  38          1HE2      GLN  38   2.692  -4.820   5.681
  229   2HE2  GLN  38          2HE2      GLN  38   1.106  -5.184   5.103
  230    H    CYS  39           H        CYS  39   6.335   0.873   3.148
  231    HA   CYS  39           HA       CYS  39   7.125  -0.942   0.966
  232   1HB   CYS  39          1HB       CYS  39   6.424   1.706   0.718
  233   2HB   CYS  39          2HB       CYS  39   8.179   1.791   0.819
  234    H    ARG  40           H        ARG  40   8.238   1.144   3.573
  235    HA   ARG  40           HA       ARG  40  10.936   0.018   3.320
  236   1HB   ARG  40          1HB       ARG  40   9.835   2.554   4.398
  237   2HB   ARG  40          2HB       ARG  40  11.232   1.886   5.231
  238   1HG   ARG  40          1HG       ARG  40  12.004   3.439   3.597
  239   2HG   ARG  40          2HG       ARG  40  12.422   1.814   3.050
  240   1HD   ARG  40          1HD       ARG  40  11.582   3.023   1.171
  241   2HD   ARG  40          2HD       ARG  40  10.361   1.841   1.642
  242    HE   ARG  40           HE       ARG  40   8.936   3.564   2.103
  243   1HH1  ARG  40          1HH1      ARG  40  12.190   4.820   1.979
  244   2HH1  ARG  40          2HH1      ARG  40  11.691   6.473   2.115
  245   1HH2  ARG  40          1HH2      ARG  40   8.278   5.737   2.281
  246   2HH2  ARG  40          2HH2      ARG  40   9.471   6.994   2.288
  247    H    GLY  41           H        GLY  41   8.179   0.243   5.459
  248   1HA   GLY  41          1HA       GLY  41   9.589  -1.526   7.363
  249   2HA   GLY  41          2HA       GLY  41   8.394  -0.336   7.856