*HEADER    SURFACE ACTIVE PROTEIN                  11-AUG-06   2DWF              
*TITLE     NMR STRUCTURE OF MINI-B, AN N-TERMINAL- C-TERMINAL                    
*TITLE    2 CONSTRUCT FROM HUMAN SURFACTANT PROTEIN B (SP-B), IN                 
*TITLE    3 SODIUM DODECYL SULFATE (SDS) MICELLES                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PULMONARY SURFACTANT-ASSOCIATED PROTEIN B;                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: MINI-B;                                                    
*COMPND   5 SYNONYM: SP-B, 6 KDA PROTEIN, PULMONARY SURFACTANT-                  
*COMPND   6 ASSOCIATED PROTEOLIPID SPLPHE, 18 KDA PULMONARY-SURFACTANT           
*COMPND   7 PROTEIN;                                                             
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE IS A BIOLOGICALLY ACTIVE                
*SOURCE   4 FRAGMENT OF THE PROTEIN SP-B WHICH OCCURS NATURALLY IN               
*SOURCE   5 HUMANS.                                                              
*KEYWDS    MINI-B, SP-B, SURFACTANT PROTEIN B, LIPID ASSOCIATED PROTEIN          
*EXPDTA    NMR, 15 STRUCTURES                                                    
*AUTHOR    V.BOOTH, M.SARKER, A.J.WARING, K.M.W.KEOUGH                           
*REVDAT   1   03-JUL-07 2DWF    0                                                


! Restraints for Mini-B in SDS
! Intra-residue: XXX Sequential: 158 Medium-range: 110 Long-range: 06 Ambiguous: 25 H_bonds : 28 Dihedrals : 44 
! Sequential
assign (residue  1 and name   HA) (residue  2 and name   HN) 5.0 3.2 0.0 !
assign (residue  2 and name   HA) (residue  3 and name   HN) 5.0 3.2 0.0 !
assign (residue  3 and name   HA) (residue  4 and name   HN) 5.0 3.2 0.0 !
assign (residue  4 and name   HA) (residue  5 and name  HB#) 5.0 3.2 1.0 !
assign (residue  5 and name  HB#) (residue  6 and name   HN) 5.0 3.2 1.0 !
assign (residue  6 and name  HB#) (residue  7 and name   HN) 3.4 1.6 1.0 !
assign (residue  6 and name   HN) (residue  7 and name  HB#) 5.0 3.2 1.0 !
assign (residue  7 and name  HB#) (residue  8 and name   HA) 5.0 3.2 1.0 !
assign (residue  7 and name  HB#) (residue  8 and name   HN) 3.4 1.6 1.0 !
assign (residue  7 and name HD1#) (residue  8 and name   HN) 5.0 3.2 1.0 !
assign (residue  7 and name   HN) (residue  8 and name   HA) 5.0 3.2 0.0 !
assign (residue  8 and name   HA) (residue  7 and name HD2#) 5.0 3.2 1.0 !
assign (residue  8 and name   HA) (residue  9 and name  HE#) 5.0 3.2 1.0 !
assign (residue  8 and name   HA) (residue  9 and name   HN) 3.4 1.6 0.0 !
assign (residue  8 and name HG1#) (residue  9 and name  HD#) 5.0 3.2 2.0 !
assign (residue  8 and name HG1#) (residue  9 and name   HN) 5.0 3.2 1.0 !
assign (residue  9 and name   HA) (residue  8 and name   HN) 5.0 3.2 0.0 !
assign (residue  9 and name   HA) (residue 10 and name   HN) 3.4 1.6 0.0 !
assign (residue  9 and name  HB1) (residue 10 and name   HN) 5.0 3.2 0.0 !
assign (residue  9 and name  HB2) (residue 10 and name   HN) 5.0 3.2 0.0 !
assign (residue  9 and name  HG2) (residue 10 and name   HN) 5.0 3.2 0.0 !
assign (residue  9 and name   HN) (residue 10 and name   HN) 2.8 1.0 0.0 !
assign (residue 10 and name   HA) (residue  9 and name  HG2) 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   HA) (residue 11 and name   HN) 3.4 1.6 0.0 !
assign (residue 10 and name  HD#) (residue  9 and name  HG1) 5.0 3.2 1.0 !
assign (residue 10 and name  HD#) (residue 11 and name   HN) 5.0 3.2 1.0 !
assign (residue 10 and name   HE) (residue  9 and name  HG1) 5.0 3.2 0.0 !
assign (residue 10 and name  HG#) (residue 11 and name   HA) 5.0 3.2 1.0 !
assign (residue 10 and name  HG#) (residue 11 and name HD1#) 5.0 3.2 2.0 !
assign (residue 10 and name  HG#) (residue 11 and name HG1#) 5.0 3.2 2.0 !
assign (residue 10 and name  HG#) (residue 11 and name   HN) 5.0 3.2 1.0 !
assign (residue 10 and name   HN) (residue 11 and name   HN) 2.8 1.0 0.0 !
assign (residue 11 and name   HA) (residue 10 and name   HN) 5.0 3.2 0.0 !
assign (residue 11 and name   HA) (residue 12 and name   HN) 5.0 3.2 0.0 !
assign (residue 11 and name   HB) (residue 12 and name   HA) 5.0 3.2 0.0 !
assign (residue 11 and name   HB) (residue 12 and name   HN) 3.4 1.6 0.0 !
assign (residue 11 and name HD1#) (residue 12 and name   HN) 5.0 3.2 1.0 !
assign (residue 11 and name HG1#) (residue 12 and name   HN) 5.0 3.2 1.0 !
assign (residue 11 and name HG2#) (residue 12 and name   HA) 5.0 3.2 1.0 !
assign (residue 11 and name HG2#) (residue 12 and name   HN) 3.4 1.6 1.0 !
assign (residue 11 and name   HN) (residue 12 and name   HN) 2.8 1.0 0.0 !
assign (residue 12 and name   HA) (residue 13 and name  HB#) 5.0 3.2 1.0 !
assign (residue 12 and name  HB#) (residue 13 and name  HB#) 5.0 3.2 2.0 !
assign (residue 12 and name  HB#) (residue 13 and name   HN) 5.0 3.2 1.0 !
assign (residue 12 and name HE21) (residue 13 and name   HN) 5.0 3.2 0.0 !
assign (residue 12 and name  HG1) (residue 13 and name   HN) 5.0 3.2 0.0 !
assign (residue 12 and name  HG2) (residue 11 and name   HN) 5.0 3.2 0.0 !
assign (residue 12 and name  HG2) (residue 13 and name   HN) 5.0 3.2 0.0 !
assign (residue 12 and name   HN) (residue 13 and name  HB#) 5.0 3.2 0.0 !
assign (residue 12 and name   HN) (residue 13 and name   HN) 3.4 1.6 0.0 !
assign (residue 13 and name   HA) (residue 12 and name  HG1) 5.0 3.2 0.0 !
assign (residue 13 and name   HA) (residue 14 and name   HN) 3.4 1.6 0.0 !
assign (residue 13 and name  HB#) (residue 14 and name  HG1) 5.0 3.2 1.0 !
assign (residue 13 and name  HB#) (residue 14 and name  HG2) 5.0 3.2 1.0 !
assign (residue 13 and name  HB#) (residue 14 and name   HN) 3.4 1.6 1.0 !
assign (residue 13 and name   HN) (residue 12 and name   HA) 5.0 3.2 0.0 !
assign (residue 13 and name   HN) (residue 14 and name   HN) 2.8 1.0 0.0 !
assign (residue 14 and name  HB#) (residue 13 and name  HB#) 5.0 3.2 2.0 !
assign (residue 14 and name  HB#) (residue 15 and name HD1#) 5.0 3.2 2.0 !
assign (residue 14 and name  HG1) (residue 15 and name   HN) 5.0 3.2 0.0 !
assign (residue 14 and name   HN) (residue 15 and name HD1#) 5.0 3.2 1.0 !
assign (residue 14 and name   HN) (residue 15 and name HG2#) 5.0 3.2 1.0 !
assign (residue 14 and name   HN) (residue 15 and name   HN) 2.8 1.0 0.0 !
assign (residue 15 and name   HA) (residue 16 and name  HD1) 5.0 3.2 0.0 !
assign (residue 15 and name   HA) (residue 16 and name  HD2) 3.4 1.6 0.0 !
assign (residue 15 and name   HN) (residue 14 and name  HG2) 5.0 3.2 0.0 !
assign (residue 16 and name   HA) (residue 17 and name   HN) 5.0 3.2 0.0 !
assign (residue 16 and name  HB#) (residue 17 and name   HN) 5.0 3.2 1.0 !
assign (residue 16 and name  HD1) (residue 15 and name   HB) 5.0 3.2 0.0 !
assign (residue 16 and name  HD1) (residue 15 and name HG2#) 5.0 3.2 1.0 !
assign (residue 16 and name  HD1) (residue 15 and name   HN) 5.0 3.2 0.0 !
assign (residue 16 and name  HD2) (residue 15 and name HG2#) 5.0 3.2 1.0 !
assign (residue 16 and name  HD2) (residue 15 and name   HN) 5.0 3.2 0.0 !
assign (residue 16 and name  HD2) (residue 17 and name   HN) 3.4 1.6 0.0 !
assign (residue 17 and name   HA) (residue 18 and name   HN) 3.4 1.6 0.0 !
assign (residue 17 and name  HG#) (residue 18 and name   HN) 5.0 3.2 1.0 !
assign (residue 19 and name  HA#) (residue 20 and name  HD#) 5.0 3.2 2.0 !
assign (residue 19 and name  HA#) (residue 20 and name   HN) 5.0 3.2 1.0 !
assign (residue 19 and name   HN) (residue 20 and name  HB#) 5.0 3.2 1.0 !
assign (residue 19 and name   HN) (residue 20 and name   HN) 5.0 3.2 0.0 !
assign (residue 20 and name   HN) (residue 21 and name   HN) 5.0 3.2 0.0 !
assign (residue 21 and name   HA) (residue 22 and name HD##) 5.0 3.2 3.0 !
assign (residue 21 and name  HG1) (residue 22 and name  HB1) 5.0 3.2 0.0 !
assign (residue 21 and name  HG2) (residue 22 and name  HB1) 5.0 3.2 0.0 !
assign (residue 22 and name   HA) (residue 23 and name  HD1) 5.0 3.2 0.0 !
assign (residue 22 and name   HA) (residue 23 and name  HD2) 5.0 3.2 0.0 !
assign (residue 22 and name  HB2) (residue 23 and name  HD1) 5.0 3.2 0.0 !
assign (residue 22 and name  HB2) (residue 23 and name  HD2) 5.0 3.2 0.0 !
assign (residue 23 and name   HA) (residue 24 and name   HN) 3.4 1.6 0.0 !
assign (residue 23 and name  HB1) (residue 22 and name  HB1) 5.0 3.2 0.0 !
assign (residue 23 and name  HB1) (residue 24 and name   HN) 5.0 3.2 0.0 !
assign (residue 23 and name  HB2) (residue 24 and name   HN) 3.4 1.6 0.0 !
assign (residue 23 and name  HD1) (residue 22 and name  HB1) 5.0 3.2 0.0 !
assign (residue 23 and name  HD1) (residue 22 and name HD##) 5.0 3.2 3.0 !
assign (residue 23 and name  HD1) (residue 22 and name   HN) 5.0 3.2 0.0 !
assign (residue 23 and name  HD1) (residue 24 and name   HN) 5.0 3.2 0.0 !
assign (residue 23 and name  HD2) (residue 22 and name  HB1) 5.0 3.2 0.0 !
assign (residue 23 and name  HD2) (residue 22 and name   HN) 5.0 3.2 0.0 !
assign (residue 23 and name  HD2) (residue 24 and name   HN) 5.0 3.2 0.0 !
assign (residue 23 and name  HG1) (residue 24 and name   HN) 5.0 3.2 0.0 !
assign (residue 24 and name   HA) (residue 25 and name   HN) 3.4 1.6 0.0 !
assign (residue 24 and name  HB#) (residue 25 and name   HN) 5.0 3.2 1.0 !
assign (residue 24 and name  HG#) (residue 25 and name   HN) 5.0 3.2 1.0 !
assign (residue 24 and name   HN) (residue 25 and name   HN) 3.4 1.6 0.0 !
assign (residue 25 and name   HA) (residue 26 and name   HN) 3.4 1.6 0.0 !
assign (residue 25 and name  HB1) (residue 26 and name   HN) 5.0 3.2 0.0 !
assign (residue 25 and name  HB2) (residue 26 and name HG1#) 5.0 3.2 1.0 !
assign (residue 25 and name  HB2) (residue 26 and name HG2#) 5.0 3.2 1.0 !
assign (residue 25 and name  HB2) (residue 26 and name   HN) 5.0 3.2 0.0 !
assign (residue 25 and name   HG) (residue 26 and name   HN) 5.0 3.2 0.0 !
assign (residue 25 and name   HN) (residue 26 and name   HN) 2.8 1.0 0.0 !
assign (residue 26 and name   HA) (residue 27 and name   HN) 3.4 1.6 0.0 !
assign (residue 26 and name   HB) (residue 27 and name  HB1) 5.0 3.2 0.0 !
assign (residue 26 and name   HB) (residue 27 and name   HN) 3.4 1.6 0.0 !
assign (residue 26 and name HG1#) (residue 27 and name   HN) 5.0 3.2 1.0 !
assign (residue 26 and name HG2#) (residue 27 and name   HN) 5.0 3.2 1.0 !
assign (residue 26 and name   HN) (residue 27 and name   HN) 2.8 1.6 0.0 !
assign (residue 27 and name   HA) (residue 26 and name HG2#) 5.0 3.2 1.0 !
assign (residue 27 and name   HA) (residue 28 and name   HN) 3.4 1.6 0.0 !
assign (residue 27 and name  HB1) (residue 26 and name   HN) 5.0 3.2 0.0 !
assign (residue 27 and name  HB1) (residue 28 and name   HN) 3.4 1.6 0.0 !
assign (residue 27 and name  HB2) (residue 26 and name   HN) 5.0 3.2 0.0 !
assign (residue 27 and name  HB2) (residue 28 and name   HN) 5.0 3.2 0.0 !
assign (residue 27 and name   HN) (residue 28 and name   HN) 2.8 1.0 0.0 !
assign (residue 28 and name   HA) (residue 27 and name  HB2) 5.0 3.2 0.0 !
assign (residue 28 and name   HA) (residue 29 and name   HN) 3.4 1.6 0.0 !
assign (residue 28 and name  HB#) (residue 29 and name   HN) 5.0 3.2 1.0 !
assign (residue 28 and name  HD#) (residue 29 and name   HN) 5.0 3.2 1.0 !
assign (residue 29 and name   HA) (residue 30 and name   HN) 3.4 1.6 0.0 !
assign (residue 29 and name  HB#) (residue 30 and name   HN) 3.4 1.8 1.0 !
assign (residue 29 and name   HG) (residue 28 and name   HN) 5.0 3.2 0.0 !
assign (residue 29 and name   HN) (residue 30 and name HG##) 5.0 3.2 3.0 !
assign (residue 29 and name   HN) (residue 30 and name   HN) 2.8 1.0 0.0 !
assign (residue 30 and name   HA) (residue 29 and name HD##) 5.0 3.2 3.0 !
assign (residue 30 and name   HA) (residue 31 and name   HN) 3.4 1.6 0.0 !
assign (residue 30 and name   HB) (residue 29 and name  HB#) 5.0 3.2 1.0 !
assign (residue 30 and name   HB) (residue 29 and name   HN) 5.0 3.2 0.0 !
assign (residue 30 and name HG##) (residue 31 and name   HN) 5.0 3.2 3.0 !
assign (residue 30 and name   HN) (residue 29 and name HD##) 5.0 3.2 3.0 !
assign (residue 30 and name   HN) (residue 31 and name   HN) 2.8 1.0 0.0 !
assign (residue 31 and name   HA) (residue 30 and name   HB) 5.0 3.2 0.0 !
assign (residue 31 and name   HA) (residue 32 and name   HN) 3.4 1.6 0.0 !
assign (residue 31 and name   HG) (residue 32 and name   HN) 5.0 3.2 0.0 !
assign (residue 31 and name   HN) (residue 32 and name   HN) 2.8 1.0 0.0 !
assign (residue 32 and name   HA) (residue 33 and name   HN) 3.4 1.6 0.0 !
assign (residue 32 and name  HB#) (residue 33 and name   HN) 5.0 3.2 1.0 !
assign (residue 32 and name  HG#) (residue 33 and name   HN) 5.0 3.2 1.0 !
assign (residue 32 and name   HN) (residue 31 and name HD##) 5.0 3.2 3.0 !
assign (residue 32 and name   HN) (residue 33 and name   HN) 2.8 1.0 0.0 !
assign (residue 33 and name   HA) (residue 32 and name   HN) 5.0 3.2 0.0 !
assign (residue 33 and name   HA) (residue 34 and name   HN) 5.0 3.2 0.0 !
assign (residue 33 and name  HB1) (residue 34 and name   HN) 5.0 3.2 0.0 !
assign (residue 33 and name  HB2) (residue 34 and name   HN) 5.0 3.2 0.0 !
assign (residue 33 and name   HN) (residue 32 and name   HE) 5.0 3.2 0.0 !
assign (residue 34 and name  HB#) (residue 33 and name  HB1) 5.0 3.2 1.0 !
assign (residue 34 and name  HB#) (residue 33 and name  HB2) 5.0 3.2 1.0 !
assign (residue 34 and name  HB#) (residue 33 and name   HN) 5.0 3.2 1.0 !
! Medium-range
assign (residue  2 and name   HN) (residue  4 and name   HN) 5.0 3.2 0.0 !
assign (residue  3 and name   HA) (residue  5 and name   HE) 5.0 3.2 0.0 !
assign (residue  3 and name   HA) (residue  6 and name  HB#) 5.0 3.2 1.0 !
assign (residue  3 and name   HA) (residue  6 and name   HN) 5.0 3.2 0.0 !
assign (residue  3 and name   HA) (residue  7 and name   HN) 5.0 3.2 0.0 !
assign (residue  3 and name  HB#) (residue  5 and name   HE) 5.0 3.2 1.0 !
assign (residue  3 and name  HB#) (residue  5 and name   HN) 5.0 3.2 1.0 !
assign (residue  3 and name HD##) (residue  5 and name   HE) 5.0 3.2 3.0 !
assign (residue  4 and name   HA) (residue  8 and name   HN) 5.0 3.2 0.0 !
assign (residue  5 and name   HN) (residue  7 and name HD2#) 5.0 3.2 1.0 !
assign (residue  6 and name  HB#) (residue  3 and name   HN) 5.0 3.2 1.0 !
assign (residue  6 and name  HB#) (residue  9 and name   HN) 5.0 3.2 1.0 !
assign (residue  7 and name   HA) (residue 11 and name   HN) 5.0 3.2 0.0 !
assign (residue  7 and name  HB#) (residue  9 and name   HN) 5.0 3.2 1.0 !
assign (residue  8 and name   HA) (residue 10 and name   HN) 5.0 3.2 0.0 !
assign (residue  8 and name   HA) (residue 11 and name HD1#) 5.0 3.2 1.0 !
assign (residue  8 and name   HA) (residue 11 and name   HN) 3.4 1.6 0.0 !
assign (residue  8 and name   HA) (residue 12 and name   HN) 5.0 3.2 0.0 !
assign (residue  8 and name   HN) (residue  6 and name  HB#) 5.0 3.2 1.0 !
assign (residue  8 and name   HN) (residue  6 and name   HN) 5.0 3.2 0.0 !
assign (residue  9 and name   HA) (residue 11 and name   HN) 5.0 3.2 0.0 !
assign (residue  9 and name   HA) (residue 12 and name  HB#) 5.0 3.2 1.0 !
assign (residue  9 and name   HA) (residue 12 and name  HG1) 5.0 3.2 0.0 !
assign (residue  9 and name   HA) (residue 12 and name  HG2) 5.0 3.2 0.0 !
assign (residue  9 and name   HA) (residue 12 and name   HN) 3.4 1.6 0.0 !
assign (residue  9 and name  HB1) (residue 11 and name   HN) 5.0 3.2 0.0 !
assign (residue  9 and name  HB1) (residue 12 and name   HN) 5.0 3.2 0.0 !
assign (residue  9 and name  HG2) (residue 12 and name  HG2) 5.0 3.2 0.0 !
assign (residue  9 and name   HN) (residue 11 and name   HN) 5.0 3.2 0.0 !
assign (residue  9 and name   HN) (residue 12 and name  HB#) 5.0 3.2 1.0 !
assign (residue 10 and name   HA) (residue 12 and name   HN) 5.0 3.2 0.0 !
assign (residue 10 and name   HA) (residue 13 and name   HN) 5.0 3.2 0.0 !
assign (residue 10 and name   HA) (residue 14 and name   HN) 5.0 3.2 0.0 !
assign (residue 10 and name  HB#) (residue 12 and name   HN) 5.0 3.2 1.0 !
assign (residue 10 and name  HD#) (residue  7 and name HD2#) 5.0 3.2 2.0 !
assign (residue 10 and name  HD#) (residue 13 and name  HB#) 5.0 3.2 2.0 !
assign (residue 10 and name  HG#) (residue  8 and name   HA) 5.0 3.2 1.0 !
assign (residue 10 and name  HG#) (residue  8 and name   HN) 5.0 3.2 1.0 !
assign (residue 10 and name  HG#) (residue 12 and name   HN) 5.0 3.2 1.0 !
assign (residue 10 and name   HN) (residue 12 and name   HN) 5.0 3.2 0.0 !
assign (residue 11 and name   HA) (residue 14 and name  HB#) 5.0 3.2 1.0 !
assign (residue 11 and name   HA) (residue 14 and name  HG1) 5.0 3.2 0.0 !
assign (residue 11 and name   HA) (residue 14 and name  HG2) 5.0 3.2 0.0 !
assign (residue 11 and name   HA) (residue 14 and name   HN) 3.4 1.6 0.0 !
assign (residue 11 and name HG2#) (residue 13 and name   HA) 5.0 3.2 1.0 !
assign (residue 12 and name   HA) (residue 14 and name   HN) 5.0 3.2 0.0 !
assign (residue 12 and name   HA) (residue 15 and name HD1#) 5.0 3.2 1.0 !
assign (residue 12 and name   HA) (residue 15 and name HG2#) 5.0 3.2 1.0 !
assign (residue 12 and name   HN) (residue  9 and name  HB1) 5.0 3.2 0.0 !
assign (residue 12 and name   HN) (residue  9 and name  HB2) 5.0 3.2 0.0 !
assign (residue 12 and name   HN) (residue  9 and name  HD#) 5.0 3.2 1.0 !
assign (residue 13 and name   HN) (residue 10 and name  HG#) 5.0 3.2 1.0 !
assign (residue 14 and name  HB#) (residue 11 and name   HA) 5.0 3.2 1.0 !
assign (residue 14 and name   HN) (residue 12 and name   HN) 5.0 3.2 0.0 !
assign (residue 15 and name   HA) (residue 18 and name   HN) 5.0 3.2 0.0 !
assign (residue 15 and name   HB) (residue 18 and name   HN) 5.0 3.2 0.0 !
assign (residue 15 and name HG2#) (residue 19 and name  HA#) 5.0 3.2 2.0 !
assign (residue 15 and name   HN) (residue 12 and name HE21) 5.0 3.2 0.0 !
assign (residue 15 and name   HN) (residue 12 and name   HN) 5.0 3.2 0.0 !
assign (residue 16 and name  HD2) (residue 18 and name  HA#) 5.0 3.2 0.0 !
assign (residue 16 and name  HD2) (residue 18 and name   HN) 5.0 3.2 0.0 !
assign (residue 22 and name   HA) (residue 26 and name HG2#) 5.0 3.2 1.0 !
assign (residue 22 and name  HB1) (residue 24 and name   HN) 5.0 3.2 0.0 !
assign (residue 22 and name HD##) (residue 25 and name   HA) 5.0 3.2 3.0 !
assign (residue 22 and name   HN) (residue 24 and name   HN) 5.0 3.2 0.0 !
assign (residue 23 and name   HA) (residue 25 and name HD2#) 5.0 3.2 0.0 !
assign (residue 23 and name   HA) (residue 25 and name   HN) 5.0 3.2 0.0 !
assign (residue 23 and name   HA) (residue 26 and name HG2#) 5.0 3.2 1.0 !
assign (residue 23 and name   HA) (residue 26 and name   HN) 3.4 1.6 3.0 !
assign (residue 23 and name  HB1) (residue 27 and name   HN) 5.0 3.2 0.0 !
assign (residue 23 and name  HD1) (residue 25 and name   HN) 5.0 3.2 0.0 !
assign (residue 23 and name  HD2) (residue 26 and name HG2#) 5.0 3.2 1.0 !
assign (residue 23 and name  HD2) (residue 27 and name  HB1) 5.0 3.2 0.0 !
assign (residue 24 and name   HA) (residue 27 and name  HB1) 3.4 1.6 0.0 !
assign (residue 24 and name   HA) (residue 27 and name  HB2) 3.4 1.6 0.0 !
assign (residue 24 and name   HA) (residue 27 and name   HN) 3.4 1.6 0.0 !
assign (residue 25 and name   HA) (residue 28 and name  HB#) 3.4 1.6 1.0 !
assign (residue 25 and name   HA) (residue 28 and name  HD#) 5.0 3.2 1.0 !
assign (residue 25 and name   HA) (residue 28 and name   HE) 5.0 3.2 0.0 !
assign (residue 25 and name   HA) (residue 28 and name   HN) 3.4 1.6 0.0 !
assign (residue 25 and name   HA) (residue 29 and name   HN) 5.0 3.2 0.0 !
assign (residue 25 and name  HB1) (residue 28 and name   HE) 5.0 3.2 0.0 !
assign (residue 25 and name HD2#) (residue 21 and name  HG2) 5.0 3.2 1.0 !
assign (residue 26 and name   HA) (residue 28 and name   HN) 5.0 3.2 0.0 !
assign (residue 26 and name   HA) (residue 29 and name   HN) 5.0 3.2 0.0 !
assign (residue 26 and name   HA) (residue 30 and name   HN) 5.0 3.2 0.0 !
assign (residue 26 and name   HB) (residue 29 and name   HN) 5.0 3.2 0.0 !
assign (residue 26 and name   HN) (residue 24 and name   HN) 5.0 3.2 0.0 !
assign (residue 26 and name   HN) (residue 28 and name   HN) 5.0 3.2 0.0 !
assign (residue 27 and name  HB2) (residue 24 and name   HA) 5.0 3.2 0.0 !
assign (residue 27 and name   HA) (residue 30 and name   HN) 3.4 1.6 0.0 !
assign (residue 27 and name   HN) (residue 24 and name  HG#) 5.0 3.2 1.0 !
assign (residue 27 and name   HN) (residue 24 and name   HN) 5.0 3.2 0.0 !
assign (residue 27 and name   HN) (residue 30 and name   HN) 5.0 3.2 0.0 !
assign (residue 28 and name   HA) (residue 32 and name   HN) 5.0 3.2 0.0 !
assign (residue 28 and name  HB#) (residue 25 and name   HA) 5.0 3.2 1.0 !
assign (residue 28 and name  HG2) (residue 24 and name   HA) 5.0 3.2 0.0 !
assign (residue 29 and name   HA) (residue 31 and name   HN) 5.0 3.2 0.0 !
assign (residue 29 and name   HA) (residue 32 and name   HN) 5.0 3.2 0.0 !
assign (residue 29 and name   HN) (residue 26 and name   HA) 5.0 3.2 0.0 !
assign (residue 29 and name   HN) (residue 26 and name   HN) 5.0 3.2 0.0 !
assign (residue 29 and name   HN) (residue 27 and name  HB1) 5.0 3.2 0.0 !
assign (residue 30 and name   HA) (residue 33 and name  HB1) 5.0 3.2 0.0 !
assign (residue 30 and name   HA) (residue 33 and name  HB2) 5.0 3.2 0.0 !
assign (residue 30 and name HG##) (residue 32 and name   HN) 5.0 3.2 3.0 !
assign (residue 32 and name  HD#) (residue 30 and name HG##) 5.0 3.2 4.0 !
assign (residue 32 and name   HE) (residue 30 and name HG##) 5.0 3.2 3.0 !
assign (residue 32 and name   HN) (residue 30 and name HG##) 5.0 3.2 3.0 !
assign (residue 33 and name  HB1) (residue 30 and name HG##) 5.0 3.2 3.0 !
assign (residue 33 and name  HB2) (residue 30 and name HG##) 5.0 3.2 3.0 !
! Long-range
assign (residue  7 and name HD2#) (residue 23 and name  HB1) 5.0 3.2 1.0 !
assign (residue  8 and name HG2#) (residue 27 and name   HA) 5.0 3.2 1.0 !
assign (residue 24 and name  HB#) (residue  9 and name  HE#) 5.0 3.2 2.0 !
assign (residue 28 and name   HA) (residue  5 and name   HN) 5.0 3.2 1.0 !
assign (residue 28 and name  HG1) (residue  5 and name   HN) 5.0 3.2 0.0 !
assign (residue 34 and name  HB#) (residue  2 and name  HE3) 5.0 3.2 1.0 !
! Ambiguous
assign (resid  5 and name   HA) (resid  8 and name   HN) 5.0 3.2 0.0 !
    OR (resid  6 and name   HA) (resid  8 and name   HN)
    OR (resid  7 and name   HA) (resid  8 and name   HN)
assign (resid  5 and name   HA) (resid  9 and name   HN) 5.0 3.2 0.0 !
    OR (resid  6 and name   HA) (resid  9 and name   HN)
    OR (resid  7 and name   HA) (resid  9 and name   HN)
assign (resid  6 and name   HA) (resid 10 and name   HN) 5.0 3.2 0.0 !
    OR (resid  7 and name   HA) (resid 10 and name   HN)
assign (resid  8 and name HG2#) (resid  9 and name   HN) 5.0 3.2 1.0 !
    OR (resid 25 and name HD2#) (resid 28 and name   HN)
assign (resid  8 and name HG2#) (resid 28 and name  HH#) 5.0 3.2 4.0 !
    OR (resid 25 and name HD2#) (resid 28 and name  HH#)
    OR (resid 31 and name HD##) (resid 28 and name  HH#)
assign (resid 10 and name  HD#) (resid 11 and name HG2#) 5.0 3.2 4.0 !
    OR (resid 28 and name  HD#) (resid 29 and name HD##)
assign (resid 11 and name HG2#) (resid 10 and name  HD#) 5.0 3.2 4.0 !
    OR (resid 29 and name HD##) (resid 28 and name  HD#)
assign (resid 12 and name   HA) (resid 13 and name   HN) 3.4 1.6 0.0 !
    OR (resid 12 and name   HA) (resid 15 and name   HN)
assign (resid 13 and name  HB#) (resid 12 and name  HB#) 5.0 3.2 2.0 !
    OR (resid 13 and name  HB#) (resid 14 and name  HB#)
assign (resid 14 and name   HA) (resid 15 and name   HN) 5.0 3.2 0.0 !
    OR (resid 14 and name   HA) (resid 13 and name   HN)
assign (resid 14 and name  HB#) (resid 13 and name   HN) 5.0 3.2 1.0 !
    OR (resid 14 and name  HB#) (resid 15 and name   HN)
assign (resid 20 and name  HB#) (resid 21 and name   HN) 5.0 3.2 1.0 !
    OR (resid 23 and name  HG2) (resid 22 and name   HN)
assign (resid 20 and name  HB#) (resid 21 and name   HN) 5.0 3.2 1.0 !
    OR (resid 32 and name  HB#) (resid  4 and name   HN)
assign (resid 21 and name   HN) (resid 20 and name  HB#) 5.0 3.2 1.0 !
    OR (resid 22 and name   HN) (resid 23 and name  HG2)
assign (resid 21 and name   HN) (resid 23 and name  HD1) 5.0 3.2 0.0 !
    OR (resid 22 and name   HN) (resid 23 and name  HD1)
assign (resid 21 and name   HN) (resid 23 and name  HD2) 5.0 3.2 0.0 !
    OR (resid 22 and name   HN) (resid 23 and name  HD2)
assign (resid 21 and name  HB#) (resid 22 and name  HB1) 5.0 3.2 1.0 !
    OR (resid 23 and name  HB2) (resid 22 and name  HB1)
    OR (resid 24 and name  HB#) (resid 22 and name  HB1)
assign (resid 24 and name  HB#) (resid 27 and name  HB2) 5.0 3.2 1.0 !
    OR (resid 26 and name  HB#) (resid 27 and name  HB2)
assign (resid 24 and name  HB#) (resid 28 and name   HN) 5.0 3.2 1.0 !
    OR (resid 26 and name  HB#) (resid 28 and name   HN)
assign (resid 26 and name HG1#) (resid 29 and name   HN) 5.0 3.2 3.0 !
    OR (resid 30 and name HG##) (resid 29 and name   HN)
assign (resid 29 and name   HN) (resid 30 and name   HB) 5.0 3.2 0.0 !
    OR (resid 31 and name   HN) (resid 30 and name   HB)
assign (resid 30 and name   HB) (resid 27 and name  HB2) 5.0 3.2 0.0 !
    OR (resid 30 and name   HB) (resid 33 and name  HB2)
assign (resid 30 and name   HB) (resid 28 and name   HN) 5.0 3.2 0.0 !
    OR (resid 30 and name   HB) (resid 31 and name   HN)
assign (resid 30 and name HG##) (resid 27 and name  HB2) 5.0 3.2 0.0 !
    OR (resid 30 and name HG##) (resid 33 and name  HB2)
assign (resid 30 and name   HN) (resid 29 and name  HB#) 5.0 3.2 1.0 !
    OR (resid 30 and name   HN) (resid 32 and name  HB#)
! H_bonds
assign (resid  3 and name O) (resid  7 and name HN) 2.2 0.5 0.2
assign (resid  3 and name O) (resid  7 and name N ) 3.3 0.8 0.2
assign (resid  4 and name O) (resid  8 and name HN) 2.2 0.5 0.2
assign (resid  4 and name O) (resid  8 and name N ) 3.3 0.8 0.2
assign (resid  5 and name O) (resid  9 and name HN) 2.2 0.5 0.2
assign (resid  5 and name O) (resid  9 and name N ) 3.3 0.8 0.2
assign (resid  6 and name O) (resid 10 and name HN) 2.2 0.5 0.2
assign (resid  6 and name O) (resid 10 and name N ) 3.3 0.8 0.2
assign (resid  7 and name O) (resid 11 and name HN) 2.2 0.5 0.2
assign (resid  7 and name O) (resid 11 and name N ) 3.3 0.8 0.2
assign (resid  8 and name O) (resid 12 and name HN) 2.2 0.5 0.2
assign (resid  8 and name O) (resid 12 and name N ) 3.3 0.8 0.2
assign (resid  9 and name O) (resid 13 and name HN) 2.2 0.5 0.2
assign (resid  9 and name O) (resid 13 and name N ) 3.3 0.8 0.2
assign (resid 10 and name O) (resid 14 and name HN) 2.2 0.5 0.2
assign (resid 10 and name O) (resid 14 and name N ) 3.3 0.8 0.2
assign (resid 23 and name O) (resid 27 and name HN) 2.2 0.5 0.2
assign (resid 23 and name O) (resid 27 and name N ) 3.3 0.8 0.2
assign (resid 24 and name O) (resid 28 and name HN) 2.2 0.5 0.2
assign (resid 24 and name O) (resid 28 and name N ) 3.3 0.8 0.2
assign (resid 25 and name O) (resid 29 and name HN) 2.2 0.5 0.2
assign (resid 25 and name O) (resid 29 and name N ) 3.3 0.8 0.2
assign (resid 26 and name O) (resid 30 and name HN) 2.2 0.5 0.2
assign (resid 26 and name O) (resid 30 and name N ) 3.3 0.8 0.2
assign (resid 27 and name O) (resid 31 and name HN) 2.2 0.5 0.2
assign (resid 27 and name O) (resid 31 and name N ) 3.3 0.8 0.2
assign (resid 28 and name O) (resid 32 and name HN) 2.2 0.5 0.2
assign (resid 28 and name O) (resid 32 and name N ) 3.3 0.8 0.2
! Dihedrals
! Phi (top) and Psi (bottom) angles
! What the 4 numbers at the end of the assign statement mean:
! 1:  energy constant
! 2:  dihedral angle
! 3:  allowed range around dihedral angle
! 4:  exponent of the restraining function
! For 8 < J < 9: phi=-120 +/- 40
! For J > 9: phi=-120 +/- 30 (beta)
! For J < 8: phi=-60 +/- 30 (alpha)
! for b: phi=-120 +/- 30 psi=120 +/- 40
! for a: phi=-60 +/- 30 psi=-40 +/- 40
assign (resid  2 and name C ) (resid  3 and name N )
       (resid  3 and name CA) (resid  3 and name C )  1.0  -60  30 2
assign (resid  3 and name N ) (resid  3 and name CA)
       (resid  3 and name C ) (resid  4 and name N )  1.0  -40  40 2
assign (resid  3 and name C ) (resid  4 and name N )
       (resid  4 and name CA) (resid  4 and name C )  1.0  -60  30 2
assign (resid  4 and name N ) (resid  4 and name CA)
       (resid  4 and name C ) (resid  5 and name N )  1.0  -40  40 2
assign (resid  4 and name C ) (resid  5 and name N )
       (resid  5 and name CA) (resid  5 and name C )  1.0  -60  30 2
assign (resid  5 and name N ) (resid  5 and name CA)
       (resid  5 and name C ) (resid  6 and name N )  1.0  -40  40 2
assign (resid  5 and name C ) (resid  6 and name N )
       (resid  6 and name CA) (resid  6 and name C )  1.0  -60  30 2
assign (resid  6 and name N ) (resid  6 and name CA)
       (resid  6 and name C ) (resid  7 and name N )  1.0  -40  40 2
assign (resid  6 and name C ) (resid  7 and name N )
       (resid  7 and name CA) (resid  7 and name C )  1.0  -60  30 2
assign (resid  7 and name N ) (resid  7 and name CA)
       (resid  7 and name C ) (resid  8 and name N )  1.0  -40  40 2
assign (resid  7 and name C ) (resid  8 and name N )
       (resid  8 and name CA) (resid  8 and name C )  1.0  -60  30 2
assign (resid  8 and name N ) (resid  8 and name CA)
       (resid  8 and name C ) (resid  9 and name N )  1.0  -40  40 2
assign (resid  8 and name C ) (resid  9 and name N )
       (resid  9 and name CA) (resid  9 and name C )  1.0  -60  30 2
assign (resid  9 and name N ) (resid  9 and name CA)
       (resid  9 and name C ) (resid 10 and name N )  1.0  -40  40 2
assign (resid  9 and name C ) (resid 10 and name N )
       (resid 10 and name CA) (resid 10 and name C )  1.0  -60  30 2
assign (resid 10 and name N ) (resid 10 and name CA)
       (resid 10 and name C ) (resid 11 and name N )  1.0  -40  40 2
assign (resid 10 and name C ) (resid 11 and name N )
       (resid 11 and name CA) (resid 11 and name C )  1.0  -60  30 2
assign (resid 11 and name N ) (resid 11 and name CA)
       (resid 11 and name C ) (resid 12 and name N )  1.0  -40  40 2
assign (resid 11 and name C ) (resid 12 and name N )
       (resid 12 and name CA) (resid 12 and name C )  1.0  -60  30 2
assign (resid 12 and name N ) (resid 12 and name CA)
       (resid 12 and name C ) (resid 13 and name N )  1.0  -40  40 2
assign (resid 12 and name C ) (resid 13 and name N )
       (resid 13 and name CA) (resid 13 and name C )  1.0  -60  30 2
assign (resid 13 and name N ) (resid 13 and name CA)
       (resid 13 and name C ) (resid 14 and name N )  1.0  -40  40 2
assign (resid 13 and name C ) (resid 14 and name N )
       (resid 14 and name CA) (resid 14 and name C )  1.0  -60  30 2
assign (resid 14 and name N ) (resid 14 and name CA)
       (resid 14 and name C ) (resid 15 and name N )  1.0  -40  40 2
assign (resid 22 and name C ) (resid 23 and name N )
       (resid 23 and name CA) (resid 23 and name C )  1.0  -60  30 2
assign (resid 23 and name N ) (resid 23 and name CA)
       (resid 23 and name C ) (resid 24 and name N )  1.0  -40  40 2
assign (resid 23 and name C ) (resid 24 and name N )
       (resid 24 and name CA) (resid 24 and name C )  1.0  -60  30 2
assign (resid 24 and name N ) (resid 24 and name CA)
       (resid 24 and name C ) (resid 25 and name N )  1.0  -40  40 2
assign (resid 24 and name C ) (resid 25 and name N )
       (resid 25 and name CA) (resid 25 and name C )  1.0  -60  30 2
assign (resid 25 and name N ) (resid 25 and name CA)
       (resid 25 and name C ) (resid 26 and name N )  1.0  -40  40 2
assign (resid 25 and name C ) (resid 26 and name N )
       (resid 26 and name CA) (resid 26 and name C )  1.0  -60  30 2
assign (resid 26 and name N ) (resid 26 and name CA)
       (resid 26 and name C ) (resid 27 and name N )  1.0  -40  40 2
assign (resid 26 and name C ) (resid 27 and name N )
       (resid 27 and name CA) (resid 27 and name C )  1.0  -60  30 2
assign (resid 27 and name N ) (resid 27 and name CA)
       (resid 27 and name C ) (resid 28 and name N )  1.0  -40  40 2
assign (resid 27 and name C ) (resid 28 and name N )
       (resid 28 and name CA) (resid 28 and name C )  1.0  -60  30 2
assign (resid 28 and name N ) (resid 28 and name CA)
       (resid 28 and name C ) (resid 29 and name N )  1.0  -40  40 2
assign (resid 28 and name C ) (resid 29 and name N )
       (resid 29 and name CA) (resid 29 and name C )  1.0  -60  30 2
assign (resid 29 and name N ) (resid 29 and name CA)
       (resid 29 and name C ) (resid 30 and name N )  1.0  -40  40 2
assign (resid 29 and name C ) (resid 30 and name N )
       (resid 30 and name CA) (resid 30 and name C )  1.0  -60  30 2
assign (resid 30 and name N ) (resid 30 and name CA)
       (resid 30 and name C ) (resid 31 and name N )  1.0  -40  40 2
assign (resid 30 and name C ) (resid 31 and name N )
       (resid 31 and name CA) (resid 31 and name C )  1.0  -60  30 2
assign (resid 31 and name N ) (resid 31 and name CA)
       (resid 31 and name C ) (resid 32 and name N )  1.0  -40  40 2
assign (resid 31 and name C ) (resid 32 and name N )
       (resid 32 and name CA) (resid 32 and name C )  1.0  -60  30 2
assign (resid 32 and name N ) (resid 32 and name CA)
       (resid 32 and name C ) (resid 33 and name N )  1.0  -40  40 2

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    CYS   1          1HT       CYS   1 -14.488  -1.207  -2.700
    2   2H    CYS   1          2HT       CYS   1 -15.338  -0.074  -3.670
    3   3H    CYS   1          3HT       CYS   1 -15.749  -0.268  -2.016
    4    HA   CYS   1           HA       CYS   1 -13.224   0.782  -3.103
    5   1HB   CYS   1          2HB       CYS   1 -15.735   1.976  -2.690
    6   2HB   CYS   1          1HB       CYS   1 -14.755   2.490  -1.323
    7    H    TRP   2           H        TRP   2 -12.819  -1.367  -1.577
    8    HA   TRP   2           HA       TRP   2 -11.656  -0.243   0.808
    9   1HB   TRP   2          2HB       TRP   2 -12.772  -2.119   2.224
   10   2HB   TRP   2          1HB       TRP   2 -13.663  -0.636   1.895
   11    HD1  TRP   2           HD       TRP   2 -13.306  -3.833  -0.291
   12    HE1  TRP   2           1HE      TRP   2 -15.676  -4.662  -0.862
   13    HE3  TRP   2           3HE      TRP   2 -16.029  -0.400   2.347
   14    HZ2  TRP   2           2HZ      TRP   2 -18.344  -3.954  -0.274
   15    HZ3  TRP   2           3HZ      TRP   2 -18.485  -0.545   2.287
   16    HH2  TRP   2           HH       TRP   2 -19.616  -2.286   1.002
   17    H    LEU   3           H        LEU   3 -10.946  -1.828  -1.692
   18    HA   LEU   3           HA       LEU   3  -9.824  -4.264  -0.547
   19   1HB   LEU   3          2HB       LEU   3  -9.636  -3.182  -3.359
   20   2HB   LEU   3          1HB       LEU   3  -9.099  -4.765  -2.830
   21    HG   LEU   3           HG       LEU   3 -11.951  -3.780  -2.916
   22   1HD1  LEU   3          1HD1      LEU   3 -10.367  -5.719  -4.574
   23   2HD1  LEU   3          2HD1      LEU   3 -11.275  -4.304  -5.107
   24   3HD1  LEU   3          3HD1      LEU   3 -12.129  -5.734  -4.526
   25   1HD2  LEU   3          1HD2      LEU   3 -12.308  -6.316  -2.419
   26   2HD2  LEU   3          2HD2      LEU   3 -12.001  -5.191  -1.096
   27   3HD2  LEU   3          3HD2      LEU   3 -10.697  -6.206  -1.711
   28    H    CYS   4           H        CYS   4  -8.943  -1.133  -0.520
   29    HA   CYS   4           HA       CYS   4  -6.388  -0.892  -1.443
   30   1HB   CYS   4          2HB       CYS   4  -8.047   0.457   0.505
   31   2HB   CYS   4          1HB       CYS   4  -6.351   0.481   0.982
   32    H    ARG   5           H        ARG   5  -6.864  -1.285   2.044
   33    HA   ARG   5           HA       ARG   5  -4.495  -1.970   2.967
   34   1HB   ARG   5          2HB       ARG   5  -6.964  -3.594   3.585
   35   2HB   ARG   5          1HB       ARG   5  -5.518  -3.516   4.580
   36   1HG   ARG   5          2HG       ARG   5  -6.061  -1.518   5.457
   37   2HG   ARG   5          1HG       ARG   5  -6.762  -0.924   3.951
   38   1HD   ARG   5          2HD       ARG   5  -8.018  -2.667   6.048
   39   2HD   ARG   5          1HD       ARG   5  -8.567  -1.105   5.445
   40    HE   ARG   5           HE       ARG   5  -8.711  -2.631   3.245
   41   1HH1  ARG   5          1HH1      ARG   5  -9.865  -3.132   6.502
   42   2HH1  ARG   5          2HH1      ARG   5 -11.191  -4.131   6.011
   43   1HH2  ARG   5          1HH2      ARG   5 -10.457  -3.942   2.600
   44   2HH2  ARG   5          2HH2      ARG   5 -11.528  -4.590   3.796
   45    H    ALA   6           H        ALA   6  -6.437  -4.159   1.007
   46    HA   ALA   6           HA       ALA   6  -4.856  -6.457   1.307
   47   1HB   ALA   6          1HB       ALA   6  -7.227  -5.953   0.142
   48   2HB   ALA   6          2HB       ALA   6  -6.294  -7.425  -0.123
   49   3HB   ALA   6          3HB       ALA   6  -6.201  -6.101  -1.285
   50    H    LEU   7           H        LEU   7  -4.900  -4.168  -1.483
   51    HA   LEU   7           HA       LEU   7  -2.569  -5.401  -2.581
   52   1HB   LEU   7          2HB       LEU   7  -2.827  -4.075  -4.432
   53   2HB   LEU   7          1HB       LEU   7  -4.466  -4.178  -3.836
   54    HG   LEU   7           HG       LEU   7  -3.993  -1.944  -4.625
   55   1HD1  LEU   7          1HD1      LEU   7  -5.242  -2.513  -2.345
   56   2HD1  LEU   7          2HD1      LEU   7  -5.081  -0.877  -2.979
   57   3HD1  LEU   7          3HD1      LEU   7  -3.982  -1.448  -1.727
   58   1HD2  LEU   7          1HD2      LEU   7  -2.105  -1.233  -2.498
   59   2HD2  LEU   7          2HD2      LEU   7  -2.160  -0.731  -4.189
   60   3HD2  LEU   7          3HD2      LEU   7  -1.451  -2.286  -3.753
   61    H    ILE   8           H        ILE   8  -3.111  -2.688  -0.458
   62    HA   ILE   8           HA       ILE   8  -0.557  -1.544  -0.872
   63    HB   ILE   8           HB       ILE   8  -0.949  -0.129   0.969
   64   1HG1  ILE   8          2HG1      ILE   8  -3.135  -0.730   2.383
   65   2HG1  ILE   8          1HG1      ILE   8  -2.644  -2.364   1.949
   66   1HG2  ILE   8          1HG2      ILE   8  -2.503   0.050  -1.038
   67   2HG2  ILE   8          2HG2      ILE   8  -2.994   0.876   0.439
   68   3HG2  ILE   8          3HG2      ILE   8  -3.738  -0.660   0.002
   69   1HD1  ILE   8          1HD1      ILE   8  -1.406  -2.237   3.800
   70   2HD1  ILE   8          2HD1      ILE   8  -1.458  -0.475   3.834
   71   3HD1  ILE   8          3HD1      ILE   8  -0.296  -1.303   2.798
   72    H    LYS   9           H        LYS   9  -1.722  -4.255   0.834
   73    HA   LYS   9           HA       LYS   9   0.567  -4.452   2.572
   74   1HB   LYS   9          2HB       LYS   9  -1.796  -5.228   3.101
   75   2HB   LYS   9          1HB       LYS   9  -1.455  -6.612   2.081
   76   1HG   LYS   9          2HG       LYS   9  -0.517  -7.625   3.809
   77   2HG   LYS   9          1HG       LYS   9   0.700  -6.353   3.877
   78   1HD   LYS   9          2HD       LYS   9  -1.979  -6.350   5.270
   79   2HD   LYS   9          1HD       LYS   9  -0.406  -6.590   6.033
   80   1HE   LYS   9          2HE       LYS   9  -1.002  -4.102   4.467
   81   2HE   LYS   9          1HE       LYS   9  -1.499  -4.255   6.151
   82   1HZ   LYS   9          1HZ       LYS   9   0.679  -4.333   6.872
   83   2HZ   LYS   9          2HZ       LYS   9   0.767  -3.209   5.612
   84   3HZ   LYS   9          3HZ       LYS   9   1.287  -4.799   5.364
   85    H    ARG  10           H        ARG  10  -0.540  -5.676  -0.474
   86    HA   ARG  10           HA       ARG  10   1.416  -7.743  -0.694
   87   1HB   ARG  10          2HB       ARG  10   0.046  -6.338  -2.990
   88   2HB   ARG  10          1HB       ARG  10   0.738  -7.954  -2.982
   89   1HG   ARG  10          2HG       ARG  10  -1.524  -7.255  -1.166
   90   2HG   ARG  10          1HG       ARG  10  -1.819  -7.684  -2.848
   91   1HD   ARG  10          2HD       ARG  10  -1.895  -9.512  -0.996
   92   2HD   ARG  10          1HD       ARG  10  -1.132  -9.863  -2.545
   93    HE   ARG  10           HE       ARG  10   0.194  -9.488   0.025
   94   1HH1  ARG  10          1HH1      ARG  10   0.494 -10.042  -3.414
   95   2HH1  ARG  10          2HH1      ARG  10   2.121 -10.621  -3.299
   96   1HH2  ARG  10          1HH2      ARG  10   2.329 -10.250   0.167
   97   2HH2  ARG  10          2HH2      ARG  10   3.162 -10.738  -1.272
   98    H    ILE  11           H        ILE  11   1.409  -4.342  -0.898
   99    HA   ILE  11           HA       ILE  11   3.823  -4.213  -2.530
  100    HB   ILE  11           HB       ILE  11   2.132  -2.125  -1.165
  101   1HG1  ILE  11          2HG1      ILE  11   1.508  -2.953  -3.437
  102   2HG1  ILE  11          1HG1      ILE  11   1.868  -1.231  -3.396
  103   1HG2  ILE  11          1HG2      ILE  11   4.041  -1.036  -0.699
  104   2HG2  ILE  11          2HG2      ILE  11   4.019  -0.637  -2.418
  105   3HG2  ILE  11          3HG2      ILE  11   4.990  -1.993  -1.837
  106   1HD1  ILE  11          1HD1      ILE  11   3.394  -3.459  -4.641
  107   2HD1  ILE  11          2HD1      ILE  11   4.253  -2.014  -4.110
  108   3HD1  ILE  11          3HD1      ILE  11   2.955  -1.883  -5.297
  109    H    GLN  12           H        GLN  12   2.659  -4.138   0.716
  110    HA   GLN  12           HA       GLN  12   4.709  -3.179   2.223
  111   1HB   GLN  12          2HB       GLN  12   2.454  -4.824   2.558
  112   2HB   GLN  12          1HB       GLN  12   3.788  -5.700   3.281
  113   1HG   GLN  12          2HG       GLN  12   2.286  -3.489   4.228
  114   2HG   GLN  12          1HG       GLN  12   3.426  -4.555   5.075
  115   1HE2  GLN  12          1HE2      GLN  12   5.804  -4.025   4.361
  116   2HE2  GLN  12          2HE2      GLN  12   6.229  -2.355   4.480
  117    H    ALA  13           H        ALA  13   4.266  -6.547   1.240
  118    HA   ALA  13           HA       ALA  13   6.821  -7.259   2.137
  119   1HB   ALA  13          1HB       ALA  13   4.854  -8.810   1.987
  120   2HB   ALA  13          2HB       ALA  13   6.365  -9.461   1.352
  121   3HB   ALA  13          3HB       ALA  13   5.126  -8.868   0.246
  122    H    MET  14           H        MET  14   5.491  -6.328  -0.952
  123    HA   MET  14           HA       MET  14   7.430  -7.135  -2.725
  124   1HB   MET  14          2HB       MET  14   6.474  -5.693  -4.205
  125   2HB   MET  14          1HB       MET  14   5.250  -5.582  -2.953
  126   1HG   MET  14          2HG       MET  14   5.525  -3.384  -3.147
  127   2HG   MET  14          1HG       MET  14   6.989  -3.620  -2.199
  128   1HE   MET  14          1HE       MET  14   6.585  -1.056  -4.822
  129   2HE   MET  14          2HE       MET  14   8.315  -1.011  -4.480
  130   3HE   MET  14          3HE       MET  14   7.165  -1.288  -3.173
  131    H    ILE  15           H        ILE  15   7.607  -4.673  -0.274
  132    HA   ILE  15           HA       ILE  15  10.477  -4.383  -0.829
  133    HB   ILE  15           HB       ILE  15  10.277  -1.946  -0.148
  134   1HG1  ILE  15          2HG1      ILE  15   7.728  -1.386  -1.177
  135   2HG1  ILE  15          1HG1      ILE  15   7.487  -2.720  -0.052
  136   1HG2  ILE  15          1HG2      ILE  15   9.496  -3.153  -2.732
  137   2HG2  ILE  15          2HG2      ILE  15  10.849  -2.094  -2.333
  138   3HG2  ILE  15          3HG2      ILE  15   9.235  -1.419  -2.546
  139   1HD1  ILE  15          1HD1      ILE  15   7.296  -1.045   1.428
  140   2HD1  ILE  15          2HD1      ILE  15   8.249   0.074   0.453
  141   3HD1  ILE  15          3HD1      ILE  15   9.057  -1.143   1.442
  142    HA   PRO  16           HA       PRO  16   9.929  -5.325   3.597
  143   1HB   PRO  16          2HB       PRO  16  12.251  -6.664   3.904
  144   2HB   PRO  16          1HB       PRO  16  10.819  -7.408   3.184
  145   1HG   PRO  16          2HG       PRO  16  13.247  -6.291   1.850
  146   2HG   PRO  16          1HG       PRO  16  12.327  -7.754   1.463
  147   1HD   PRO  16          2HD       PRO  16  12.069  -5.377   0.114
  148   2HD   PRO  16          1HD       PRO  16  10.794  -6.605   0.217
  149    H    LYS  17           H        LYS  17  13.078  -4.377   2.204
  150    HA   LYS  17           HA       LYS  17  13.499  -2.652   4.549
  151   1HB   LYS  17          2HB       LYS  17  15.166  -4.541   3.751
  152   2HB   LYS  17          1HB       LYS  17  15.697  -3.291   2.634
  153   1HG   LYS  17          2HG       LYS  17  16.226  -1.817   4.468
  154   2HG   LYS  17          1HG       LYS  17  15.582  -2.981   5.626
  155   1HD   LYS  17          2HD       LYS  17  17.311  -4.570   5.045
  156   2HD   LYS  17          1HD       LYS  17  17.916  -3.495   3.785
  157   1HE   LYS  17          2HE       LYS  17  18.975  -2.144   5.260
  158   2HE   LYS  17          1HE       LYS  17  17.730  -2.341   6.493
  159   1HZ   LYS  17          1HZ       LYS  17  18.789  -4.783   6.452
  160   2HZ   LYS  17          2HZ       LYS  17  19.319  -3.555   7.487
  161   3HZ   LYS  17          3HZ       LYS  17  20.155  -3.868   6.050
  162    H    GLY  18           H        GLY  18  11.782  -1.520   2.902
  163   1HA   GLY  18          2HA       GLY  18  13.350   0.301   1.188
  164   2HA   GLY  18          1HA       GLY  18  11.642  -0.057   0.971
  165    H    GLY  19           H        GLY  19  12.762   2.558   1.147
  166   1HA   GLY  19          2HA       GLY  19  11.133   3.560   3.335
  167   2HA   GLY  19          1HA       GLY  19  12.848   3.925   3.447
  168    H    ARG  20           H        ARG  20   9.995   5.198   2.582
  169    HA   ARG  20           HA       ARG  20  10.924   7.541   1.515
  170   1HB   ARG  20          2HB       ARG  20  10.881   5.416  -0.475
  171   2HB   ARG  20          1HB       ARG  20   9.875   6.777  -0.951
  172   1HG   ARG  20          2HG       ARG  20  11.635   8.147  -1.257
  173   2HG   ARG  20          1HG       ARG  20  12.544   7.459   0.089
  174   1HD   ARG  20          2HD       ARG  20  13.092   5.507  -1.268
  175   2HD   ARG  20          1HD       ARG  20  12.162   6.171  -2.611
  176    HE   ARG  20           HE       ARG  20  13.973   8.116  -2.050
  177   1HH1  ARG  20          1HH1      ARG  20  14.218   4.712  -2.777
  178   2HH1  ARG  20          2HH1      ARG  20  15.781   4.853  -3.510
  179   1HH2  ARG  20          1HH2      ARG  20  16.027   8.304  -3.014
  180   2HH2  ARG  20          2HH2      ARG  20  16.809   6.892  -3.644
  181    H    MET  21           H        MET  21   8.386   5.631  -0.047
  182    HA   MET  21           HA       MET  21   6.269   6.550   1.594
  183   1HB   MET  21          2HB       MET  21   6.335   8.677   0.667
  184   2HB   MET  21          1HB       MET  21   6.878   8.092  -0.900
  185   1HG   MET  21          2HG       MET  21   4.651   7.204  -1.359
  186   2HG   MET  21          1HG       MET  21   4.097   7.739   0.223
  187   1HE   MET  21          1HE       MET  21   6.123  10.763  -0.268
  188   2HE   MET  21          2HE       MET  21   4.897  10.282   0.906
  189   3HE   MET  21          3HE       MET  21   4.599  11.647  -0.171
  190    H    LEU  22           H        LEU  22   4.126   5.982   0.654
  191    HA   LEU  22           HA       LEU  22   4.308   3.921  -1.405
  192   1HB   LEU  22          2HB       LEU  22   3.345   3.714   1.388
  193   2HB   LEU  22          1HB       LEU  22   2.446   2.879   0.147
  194    HG   LEU  22           HG       LEU  22   5.370   2.472   0.776
  195   1HD1  LEU  22          1HD1      LEU  22   4.650   0.273   1.588
  196   2HD1  LEU  22          2HD1      LEU  22   2.969   0.735   1.320
  197   3HD1  LEU  22          3HD1      LEU  22   3.938   1.592   2.518
  198   1HD2  LEU  22          1HD2      LEU  22   3.594   0.961  -1.137
  199   2HD2  LEU  22          2HD2      LEU  22   5.285   0.614  -0.776
  200   3HD2  LEU  22          3HD2      LEU  22   4.849   2.110  -1.600
  201    HA   PRO  23           HA       PRO  23   0.399   5.555  -2.710
  202   1HB   PRO  23          2HB       PRO  23  -0.816   3.270  -3.628
  203   2HB   PRO  23          1HB       PRO  23   0.486   4.117  -4.449
  204   1HG   PRO  23          2HG       PRO  23   0.554   1.532  -3.217
  205   2HG   PRO  23          1HG       PRO  23   1.835   2.355  -4.119
  206   1HD   PRO  23          2HD       PRO  23   1.449   2.124  -1.219
  207   2HD   PRO  23          1HD       PRO  23   2.894   2.533  -2.122
  208    H    GLN  24           H        GLN  24   0.179   3.007  -0.355
  209    HA   GLN  24           HA       GLN  24  -2.521   2.749   0.030
  210   1HB   GLN  24          2HB       GLN  24  -1.465   2.902   2.652
  211   2HB   GLN  24          1HB       GLN  24  -1.872   1.466   1.734
  212   1HG   GLN  24          2HG       GLN  24   0.320   1.136   2.414
  213   2HG   GLN  24          1HG       GLN  24   0.464   1.650   0.734
  214   1HE2  GLN  24          1HE2      GLN  24   1.753   2.018   3.695
  215   2HE2  GLN  24          2HE2      GLN  24   2.431   3.599   3.538
  216    H    LEU  25           H        LEU  25  -0.604   5.532   0.505
  217    HA   LEU  25           HA       LEU  25  -2.440   6.768   2.360
  218   1HB   LEU  25          2HB       LEU  25  -0.059   7.724   0.830
  219   2HB   LEU  25          1HB       LEU  25  -1.120   8.885   1.602
  220    HG   LEU  25           HG       LEU  25   0.649   8.532   3.102
  221   1HD1  LEU  25          1HD1      LEU  25  -1.675   8.448   4.056
  222   2HD1  LEU  25          2HD1      LEU  25  -0.418   7.720   5.057
  223   3HD1  LEU  25          3HD1      LEU  25  -1.503   6.694   4.119
  224   1HD2  LEU  25          1HD2      LEU  25   1.251   6.306   1.916
  225   2HD2  LEU  25          2HD2      LEU  25   0.255   5.575   3.174
  226   3HD2  LEU  25          3HD2      LEU  25   1.671   6.529   3.614
  227    H    VAL  26           H        VAL  26  -1.812   7.071  -1.073
  228    HA   VAL  26           HA       VAL  26  -3.964   8.991  -1.411
  229    HB   VAL  26           HB       VAL  26  -2.857   7.564  -3.764
  230   1HG1  VAL  26          1HG1      VAL  26  -3.627  10.386  -3.102
  231   2HG1  VAL  26          2HG1      VAL  26  -4.382   9.280  -4.249
  232   3HG1  VAL  26          3HG1      VAL  26  -2.795   9.965  -4.598
  233   1HG2  VAL  26          1HG2      VAL  26  -0.746   7.791  -2.944
  234   2HG2  VAL  26          2HG2      VAL  26  -1.192   9.112  -1.865
  235   3HG2  VAL  26          3HG2      VAL  26  -0.948   9.422  -3.585
  236    H    CYS  27           H        CYS  27  -3.327   5.653  -1.569
  237    HA   CYS  27           HA       CYS  27  -5.537   4.765  -3.044
  238   1HB   CYS  27          2HB       CYS  27  -4.426   2.864  -2.791
  239   2HB   CYS  27          1HB       CYS  27  -3.295   3.657  -1.742
  240    H    ARG  28           H        ARG  28  -4.876   5.182   0.371
  241    HA   ARG  28           HA       ARG  28  -7.406   4.258   1.181
  242   1HB   ARG  28          2HB       ARG  28  -5.197   5.762   2.526
  243   2HB   ARG  28          1HB       ARG  28  -6.747   5.582   3.340
  244   1HG   ARG  28          2HG       ARG  28  -6.532   3.122   3.088
  245   2HG   ARG  28          1HG       ARG  28  -4.924   3.364   2.420
  246   1HD   ARG  28          2HD       ARG  28  -5.903   3.727   5.207
  247   2HD   ARG  28          1HD       ARG  28  -4.413   2.987   4.626
  248    HE   ARG  28           HE       ARG  28  -3.953   5.511   3.994
  249   1HH1  ARG  28          1HH1      ARG  28  -5.287   4.174   6.938
  250   2HH1  ARG  28          2HH1      ARG  28  -4.711   5.472   7.929
  251   1HH2  ARG  28          1HH2      ARG  28  -3.201   7.211   5.303
  252   2HH2  ARG  28          2HH2      ARG  28  -3.529   7.193   7.004
  253    H    LEU  29           H        LEU  29  -6.198   7.301   0.070
  254    HA   LEU  29           HA       LEU  29  -8.423   8.829   1.079
  255   1HB   LEU  29          2HB       LEU  29  -6.045   9.387  -0.620
  256   2HB   LEU  29          1HB       LEU  29  -7.402  10.495  -0.711
  257    HG   LEU  29           HG       LEU  29  -5.922   9.781   1.823
  258   1HD1  LEU  29          1HD1      LEU  29  -4.447  11.066   0.491
  259   2HD1  LEU  29          2HD1      LEU  29  -5.163  12.176   1.659
  260   3HD1  LEU  29          3HD1      LEU  29  -5.737  12.160  -0.009
  261   1HD2  LEU  29          1HD2      LEU  29  -7.909  10.446   2.679
  262   2HD2  LEU  29          2HD2      LEU  29  -8.359  11.345   1.229
  263   3HD2  LEU  29          3HD2      LEU  29  -7.228  12.046   2.386
  264    H    VAL  30           H        VAL  30  -7.588   7.235  -1.901
  265    HA   VAL  30           HA       VAL  30  -9.908   8.319  -3.288
  266    HB   VAL  30           HB       VAL  30  -7.886   6.324  -4.304
  267   1HG1  VAL  30          1HG1      VAL  30  -9.734   6.161  -5.709
  268   2HG1  VAL  30          2HG1      VAL  30  -8.708   7.338  -6.527
  269   3HG1  VAL  30          3HG1      VAL  30 -10.100   7.882  -5.591
  270   1HG2  VAL  30          1HG2      VAL  30  -7.310   8.884  -3.596
  271   2HG2  VAL  30          2HG2      VAL  30  -7.780   9.091  -5.283
  272   3HG2  VAL  30          3HG2      VAL  30  -6.475   7.984  -4.860
  273    H    LEU  31           H        LEU  31  -8.851   5.279  -1.916
  274    HA   LEU  31           HA       LEU  31 -11.146   3.895  -2.989
  275   1HB   LEU  31          2HB       LEU  31  -8.638   3.093  -2.095
  276   2HB   LEU  31          1HB       LEU  31  -9.763   2.420  -0.930
  277    HG   LEU  31           HG       LEU  31 -11.029   1.690  -3.158
  278   1HD1  LEU  31          1HD1      LEU  31  -9.783   2.329  -4.925
  279   2HD1  LEU  31          2HD1      LEU  31  -8.919   0.831  -4.572
  280   3HD1  LEU  31          3HD1      LEU  31  -8.285   2.373  -3.995
  281   1HD2  LEU  31          1HD2      LEU  31  -8.634   0.186  -2.128
  282   2HD2  LEU  31          2HD2      LEU  31 -10.074  -0.481  -2.900
  283   3HD2  LEU  31          3HD2      LEU  31 -10.191   0.256  -1.301
  284    H    ARG  32           H        ARG  32 -10.390   5.618  -0.113
  285    HA   ARG  32           HA       ARG  32 -12.147   4.396   1.706
  286   1HB   ARG  32          2HB       ARG  32 -10.693   6.018   2.613
  287   2HB   ARG  32          1HB       ARG  32 -11.139   7.219   1.409
  288   1HG   ARG  32          2HG       ARG  32 -13.222   6.240   3.298
  289   2HG   ARG  32          1HG       ARG  32 -12.008   7.382   3.876
  290   1HD   ARG  32          2HD       ARG  32 -12.962   9.088   2.799
  291   2HD   ARG  32          1HD       ARG  32 -13.113   8.160   1.307
  292    HE   ARG  32           HE       ARG  32 -15.061   7.245   3.077
  293   1HH1  ARG  32          1HH1      ARG  32 -14.270  10.160   1.329
  294   2HH1  ARG  32          2HH1      ARG  32 -15.915  10.685   1.211
  295   1HH2  ARG  32          1HH2      ARG  32 -17.228   7.933   2.921
  296   2HH2  ARG  32          2HH2      ARG  32 -17.595   9.423   2.116
  297    H    CYS  33           H        CYS  33 -12.660   6.215  -1.117
  298    HA   CYS  33           HA       CYS  33 -14.870   7.608  -1.125
  299   1HB   CYS  33          2HB       CYS  33 -14.880   7.204  -3.349
  300   2HB   CYS  33          1HB       CYS  33 -13.465   6.230  -3.007
  301    H    SER  34           H        SER  34 -17.098   7.410  -1.051
  302    HA   SER  34           HA       SER  34 -18.449   4.920  -0.815
  303   1HB   SER  34          2HB       SER  34 -17.627   4.761   1.397
  304   2HB   SER  34          1HB       SER  34 -17.884   6.480   1.702
  305    HG   SER  34           HG       SER  34 -20.002   4.679   1.160
  Start of MODEL    2
    1   1H    CYS   1          1HT       CYS   1 -13.918  -1.076  -2.803
    2   2H    CYS   1          2HT       CYS   1 -15.306  -0.234  -3.360
    3   3H    CYS   1          3HT       CYS   1 -15.346  -1.057  -1.854
    4    HA   CYS   1           HA       CYS   1 -13.552   1.186  -2.471
    5   1HB   CYS   1          2HB       CYS   1 -15.909   1.870  -2.622
    6   2HB   CYS   1          1HB       CYS   1 -16.227   1.152  -1.047
    7    H    TRP   2           H        TRP   2 -12.565  -1.099  -1.325
    8    HA   TRP   2           HA       TRP   2 -11.553  -0.165   1.117
    9   1HB   TRP   2          2HB       TRP   2 -12.655  -2.244   2.412
   10   2HB   TRP   2          1HB       TRP   2 -13.350  -0.627   2.417
   11    HD1  TRP   2           HD       TRP   2 -13.652  -3.582  -0.102
   12    HE1  TRP   2           1HE      TRP   2 -16.153  -3.928  -0.603
   13    HE3  TRP   2           3HE      TRP   2 -15.595   0.041   2.934
   14    HZ2  TRP   2           2HZ      TRP   2 -18.624  -2.809   0.183
   15    HZ3  TRP   2           3HZ      TRP   2 -18.036   0.340   3.002
   16    HH2  TRP   2           HH       TRP   2 -19.518  -1.056   1.654
   17    H    LEU   3           H        LEU   3 -11.129  -1.932  -1.478
   18    HA   LEU   3           HA       LEU   3  -9.778  -4.212  -0.266
   19   1HB   LEU   3          2HB       LEU   3  -9.746  -3.525  -3.189
   20   2HB   LEU   3          1HB       LEU   3  -9.553  -5.095  -2.434
   21    HG   LEU   3           HG       LEU   3 -12.138  -3.541  -2.432
   22   1HD1  LEU   3          1HD1      LEU   3 -11.061  -5.603  -4.324
   23   2HD1  LEU   3          2HD1      LEU   3 -11.813  -4.049  -4.686
   24   3HD1  LEU   3          3HD1      LEU   3 -12.795  -5.385  -4.085
   25   1HD2  LEU   3          1HD2      LEU   3 -12.873  -6.055  -2.043
   26   2HD2  LEU   3          2HD2      LEU   3 -12.402  -5.006  -0.706
   27   3HD2  LEU   3          3HD2      LEU   3 -11.248  -6.166  -1.365
   28    H    CYS   4           H        CYS   4  -9.020  -1.076  -0.707
   29    HA   CYS   4           HA       CYS   4  -6.585  -0.921  -1.971
   30   1HB   CYS   4          2HB       CYS   4  -8.167   0.748  -0.394
   31   2HB   CYS   4          1HB       CYS   4  -6.611   0.704   0.427
   32    H    ARG   5           H        ARG   5  -6.871  -1.021   1.574
   33    HA   ARG   5           HA       ARG   5  -4.332  -1.390   2.329
   34   1HB   ARG   5          2HB       ARG   5  -5.083  -2.392   4.328
   35   2HB   ARG   5          1HB       ARG   5  -6.400  -1.359   3.794
   36   1HG   ARG   5          2HG       ARG   5  -6.350  -4.289   3.151
   37   2HG   ARG   5          1HG       ARG   5  -6.973  -3.682   4.684
   38   1HD   ARG   5          2HD       ARG   5  -8.821  -2.785   3.734
   39   2HD   ARG   5          1HD       ARG   5  -7.982  -2.355   2.250
   40    HE   ARG   5           HE       ARG   5  -8.310  -4.563   1.456
   41   1HH1  ARG   5          1HH1      ARG   5  -9.915  -3.944   4.502
   42   2HH1  ARG   5          2HH1      ARG   5 -11.004  -5.277   4.332
   43   1HH2  ARG   5          1HH2      ARG   5  -9.741  -6.313   1.248
   44   2HH2  ARG   5          2HH2      ARG   5 -10.905  -6.621   2.493
   45    H    ALA   6           H        ALA   6  -6.316  -3.875   0.836
   46    HA   ALA   6           HA       ALA   6  -4.537  -6.034   1.334
   47   1HB   ALA   6          1HB       ALA   6  -5.902  -6.944  -0.762
   48   2HB   ALA   6          2HB       ALA   6  -6.954  -5.600  -0.316
   49   3HB   ALA   6          3HB       ALA   6  -6.591  -6.864   0.860
   50    H    LEU   7           H        LEU   7  -4.918  -3.787  -1.378
   51    HA   LEU   7           HA       LEU   7  -3.064  -5.134  -3.068
   52   1HB   LEU   7          2HB       LEU   7  -4.634  -3.787  -4.180
   53   2HB   LEU   7          1HB       LEU   7  -4.363  -2.430  -3.105
   54    HG   LEU   7           HG       LEU   7  -2.025  -3.247  -4.714
   55   1HD1  LEU   7          1HD1      LEU   7  -4.197  -3.407  -6.162
   56   2HD1  LEU   7          2HD1      LEU   7  -2.760  -2.594  -6.783
   57   3HD1  LEU   7          3HD1      LEU   7  -4.098  -1.647  -6.132
   58   1HD2  LEU   7          1HD2      LEU   7  -3.179  -0.844  -3.490
   59   2HD2  LEU   7          2HD2      LEU   7  -2.416  -0.576  -5.057
   60   3HD2  LEU   7          3HD2      LEU   7  -1.493  -1.295  -3.738
   61    H    ILE   8           H        ILE   8  -2.928  -2.228  -1.073
   62    HA   ILE   8           HA       ILE   8  -0.190  -1.773  -1.597
   63    HB   ILE   8           HB       ILE   8  -0.328  -0.081   0.204
   64   1HG1  ILE   8          2HG1      ILE   8  -2.893   0.248   0.887
   65   2HG1  ILE   8          1HG1      ILE   8  -2.910  -1.497   0.661
   66   1HG2  ILE   8          1HG2      ILE   8  -1.316   0.056  -2.280
   67   2HG2  ILE   8          2HG2      ILE   8  -1.360   1.409  -1.152
   68   3HG2  ILE   8          3HG2      ILE   8  -2.785   0.394  -1.366
   69   1HD1  ILE   8          1HD1      ILE   8  -2.369  -0.391   2.990
   70   2HD1  ILE   8          2HD1      ILE   8  -0.741  -0.342   2.314
   71   3HD1  ILE   8          3HD1      ILE   8  -1.588  -1.882   2.465
   72    H    LYS   9           H        LYS   9  -1.711  -4.003   0.344
   73    HA   LYS   9           HA       LYS   9   0.233  -3.997   2.448
   74   1HB   LYS   9          2HB       LYS   9  -1.856  -4.691   3.150
   75   2HB   LYS   9          1HB       LYS   9  -2.092  -5.713   1.742
   76   1HG   LYS   9          2HG       LYS   9  -1.729  -7.005   3.797
   77   2HG   LYS   9          1HG       LYS   9  -0.484  -7.297   2.575
   78   1HD   LYS   9          2HD       LYS   9   0.286  -6.961   5.000
   79   2HD   LYS   9          1HD       LYS   9   1.117  -6.044   3.744
   80   1HE   LYS   9          2HE       LYS   9   0.121  -4.037   4.364
   81   2HE   LYS   9          1HE       LYS   9  -1.234  -4.843   5.151
   82   1HZ   LYS   9          1HZ       LYS   9  -0.096  -5.100   7.065
   83   2HZ   LYS   9          2HZ       LYS   9   0.783  -3.775   6.490
   84   3HZ   LYS   9          3HZ       LYS   9   1.393  -5.341   6.298
   85    H    ARG  10           H        ARG  10  -0.652  -6.279  -0.094
   86    HA   ARG  10           HA       ARG  10   1.574  -7.968   0.306
   87   1HB   ARG  10          2HB       ARG  10   0.456  -7.676  -2.445
   88   2HB   ARG  10          1HB       ARG  10   0.921  -9.130  -1.579
   89   1HG   ARG  10          2HG       ARG  10  -1.166  -9.500  -0.932
   90   2HG   ARG  10          1HG       ARG  10  -1.326  -7.865  -0.292
   91   1HD   ARG  10          2HD       ARG  10  -1.900  -8.867  -3.055
   92   2HD   ARG  10          1HD       ARG  10  -2.970  -8.005  -1.949
   93    HE   ARG  10           HE       ARG  10  -1.275  -6.104  -2.306
   94   1HH1  ARG  10          1HH1      ARG  10  -2.271  -8.405  -4.751
   95   2HH1  ARG  10          2HH1      ARG  10  -1.929  -7.337  -6.069
   96   1HH2  ARG  10          1HH2      ARG  10  -0.833  -4.705  -4.054
   97   2HH2  ARG  10          2HH2      ARG  10  -1.118  -5.242  -5.676
   98    H    ILE  11           H        ILE  11   1.072  -4.935  -1.197
   99    HA   ILE  11           HA       ILE  11   3.479  -4.945  -2.746
  100    HB   ILE  11           HB       ILE  11   1.212  -3.198  -2.417
  101   1HG1  ILE  11          2HG1      ILE  11   3.468  -3.127  -4.431
  102   2HG1  ILE  11          1HG1      ILE  11   2.071  -4.193  -4.536
  103   1HG2  ILE  11          1HG2      ILE  11   2.642  -1.810  -1.054
  104   2HG2  ILE  11          2HG2      ILE  11   2.381  -1.034  -2.618
  105   3HG2  ILE  11          3HG2      ILE  11   3.906  -1.855  -2.282
  106   1HD1  ILE  11          1HD1      ILE  11   1.574  -2.421  -5.960
  107   2HD1  ILE  11          2HD1      ILE  11   2.183  -1.217  -4.825
  108   3HD1  ILE  11          3HD1      ILE  11   0.671  -2.060  -4.489
  109    H    GLN  12           H        GLN  12   2.413  -3.847   0.436
  110    HA   GLN  12           HA       GLN  12   4.784  -2.389   1.024
  111   1HB   GLN  12          2HB       GLN  12   3.920  -2.069   3.151
  112   2HB   GLN  12          1HB       GLN  12   2.464  -2.312   2.202
  113   1HG   GLN  12          2HG       GLN  12   1.877  -3.867   3.656
  114   2HG   GLN  12          1HG       GLN  12   3.190  -4.861   3.039
  115   1HE2  GLN  12          1HE2      GLN  12   5.370  -3.427   3.964
  116   2HE2  GLN  12          2HE2      GLN  12   5.408  -3.517   5.690
  117    H    ALA  13           H        ALA  13   3.904  -5.723   1.116
  118    HA   ALA  13           HA       ALA  13   6.206  -6.433   2.720
  119   1HB   ALA  13          1HB       ALA  13   4.671  -8.591   1.443
  120   2HB   ALA  13          2HB       ALA  13   3.752  -7.559   2.540
  121   3HB   ALA  13          3HB       ALA  13   5.188  -8.404   3.119
  122    H    MET  14           H        MET  14   5.399  -5.981  -0.542
  123    HA   MET  14           HA       MET  14   7.241  -7.857  -1.670
  124   1HB   MET  14          2HB       MET  14   5.674  -5.536  -2.765
  125   2HB   MET  14          1HB       MET  14   6.884  -6.355  -3.744
  126   1HG   MET  14          2HG       MET  14   4.976  -8.141  -2.429
  127   2HG   MET  14          1HG       MET  14   4.262  -7.037  -3.602
  128   1HE   MET  14          1HE       MET  14   6.949 -10.613  -4.298
  129   2HE   MET  14          2HE       MET  14   6.471  -9.874  -2.770
  130   3HE   MET  14          3HE       MET  14   7.826  -9.212  -3.684
  131    H    ILE  15           H        ILE  15   7.359  -4.545  -0.549
  132    HA   ILE  15           HA       ILE  15   9.731  -3.754  -1.857
  133    HB   ILE  15           HB       ILE  15   8.352  -2.104  -0.785
  134   1HG1  ILE  15          2HG1      ILE  15  10.902  -1.825  -0.890
  135   2HG1  ILE  15          1HG1      ILE  15  10.011  -0.740   0.169
  136   1HG2  ILE  15          1HG2      ILE  15   8.870  -2.314   1.953
  137   2HG2  ILE  15          2HG2      ILE  15   8.415  -3.933   1.422
  138   3HG2  ILE  15          3HG2      ILE  15   7.338  -2.570   1.120
  139   1HD1  ILE  15          1HD1      ILE  15  11.915  -2.911   0.835
  140   2HD1  ILE  15          2HD1      ILE  15  10.603  -2.584   1.966
  141   3HD1  ILE  15          3HD1      ILE  15  11.736  -1.304   1.534
  142    HA   PRO  16           HA       PRO  16  12.370  -6.715   0.317
  143   1HB   PRO  16          2HB       PRO  16  14.655  -6.021  -1.037
  144   2HB   PRO  16          1HB       PRO  16  13.464  -7.184  -1.626
  145   1HG   PRO  16          2HG       PRO  16  13.836  -4.315  -2.360
  146   2HG   PRO  16          1HG       PRO  16  13.406  -5.693  -3.387
  147   1HD   PRO  16          2HD       PRO  16  11.585  -3.885  -2.526
  148   2HD   PRO  16          1HD       PRO  16  11.184  -5.590  -2.811
  149    H    LYS  17           H        LYS  17  14.342  -3.911  -0.592
  150    HA   LYS  17           HA       LYS  17  14.451  -3.014   2.173
  151   1HB   LYS  17          2HB       LYS  17  16.285  -4.819   1.535
  152   2HB   LYS  17          1HB       LYS  17  17.083  -3.420   0.828
  153   1HG   LYS  17          2HG       LYS  17  16.847  -2.284   3.052
  154   2HG   LYS  17          1HG       LYS  17  16.305  -3.833   3.702
  155   1HD   LYS  17          2HD       LYS  17  18.418  -4.858   2.977
  156   2HD   LYS  17          1HD       LYS  17  18.960  -3.291   2.373
  157   1HE   LYS  17          2HE       LYS  17  19.750  -2.810   4.390
  158   2HE   LYS  17          1HE       LYS  17  18.113  -2.901   5.037
  159   1HZ   LYS  17          1HZ       LYS  17  18.458  -4.956   5.872
  160   2HZ   LYS  17          2HZ       LYS  17  20.073  -4.452   5.881
  161   3HZ   LYS  17          3HZ       LYS  17  19.500  -5.429   4.625
  162    H    GLY  18           H        GLY  18  13.299  -1.759  -0.031
  163   1HA   GLY  18          2HA       GLY  18  14.790   0.717  -0.020
  164   2HA   GLY  18          1HA       GLY  18  14.687  -0.048  -1.598
  165    H    GLY  19           H        GLY  19  13.367   2.302   0.186
  166   1HA   GLY  19          2HA       GLY  19  11.259   2.879  -1.478
  167   2HA   GLY  19          1HA       GLY  19  10.573   1.853  -0.228
  168    H    ARG  20           H        ARG  20  10.408   4.822  -1.011
  169    HA   ARG  20           HA       ARG  20  11.053   5.957   1.625
  170   1HB   ARG  20          2HB       ARG  20  10.445   7.434  -0.942
  171   2HB   ARG  20          1HB       ARG  20  11.008   8.138   0.568
  172   1HG   ARG  20          2HG       ARG  20  13.155   7.501   0.230
  173   2HG   ARG  20          1HG       ARG  20  12.700   6.036  -0.642
  174   1HD   ARG  20          2HD       ARG  20  12.060   7.427  -2.578
  175   2HD   ARG  20          1HD       ARG  20  12.606   8.858  -1.704
  176    HE   ARG  20           HE       ARG  20  14.771   7.214  -1.685
  177   1HH1  ARG  20          1HH1      ARG  20  12.710   8.482  -4.200
  178   2HH1  ARG  20          2HH1      ARG  20  13.964   8.495  -5.394
  179   1HH2  ARG  20          1HH2      ARG  20  16.421   7.229  -3.256
  180   2HH2  ARG  20          2HH2      ARG  20  16.070   7.783  -4.858
  181    H    MET  21           H        MET  21   8.601   6.381  -0.934
  182    HA   MET  21           HA       MET  21   6.567   6.550   1.191
  183   1HB   MET  21          2HB       MET  21   6.584   8.728   0.363
  184   2HB   MET  21          1HB       MET  21   6.919   8.209  -1.282
  185   1HG   MET  21          2HG       MET  21   4.650   7.369  -1.509
  186   2HG   MET  21          1HG       MET  21   4.297   7.807   0.159
  187   1HE   MET  21          1HE       MET  21   6.357  10.626  -0.322
  188   2HE   MET  21          2HE       MET  21   5.073  10.481   0.878
  189   3HE   MET  21          3HE       MET  21   5.035  11.793  -0.301
  190    H    LEU  22           H        LEU  22   4.381   5.966   0.460
  191    HA   LEU  22           HA       LEU  22   4.412   3.959  -1.681
  192   1HB   LEU  22          2HB       LEU  22   3.548   3.778   1.143
  193   2HB   LEU  22          1HB       LEU  22   2.524   3.020  -0.055
  194    HG   LEU  22           HG       LEU  22   5.444   2.396   0.413
  195   1HD1  LEU  22          1HD1      LEU  22   3.923   1.657   2.217
  196   2HD1  LEU  22          2HD1      LEU  22   4.685   0.319   1.357
  197   3HD1  LEU  22          3HD1      LEU  22   3.005   0.738   1.025
  198   1HD2  LEU  22          1HD2      LEU  22   5.065   0.501  -1.098
  199   2HD2  LEU  22          2HD2      LEU  22   4.841   2.048  -1.914
  200   3HD2  LEU  22          3HD2      LEU  22   3.438   1.096  -1.425
  201    HA   PRO  23           HA       PRO  23   0.527   5.743  -2.869
  202   1HB   PRO  23          2HB       PRO  23  -0.770   3.524  -3.811
  203   2HB   PRO  23          1HB       PRO  23   0.548   4.332  -4.639
  204   1HG   PRO  23          2HG       PRO  23   0.532   1.731  -3.406
  205   2HG   PRO  23          1HG       PRO  23   1.793   2.479  -4.398
  206   1HD   PRO  23          2HD       PRO  23   1.629   2.241  -1.495
  207   2HD   PRO  23          1HD       PRO  23   2.993   2.687  -2.498
  208    H    GLN  24           H        GLN  24   0.377   3.114  -0.618
  209    HA   GLN  24           HA       GLN  24  -2.274   2.829  -0.089
  210   1HB   GLN  24          2HB       GLN  24  -1.290   2.756   2.464
  211   2HB   GLN  24          1HB       GLN  24  -1.272   1.410   1.344
  212   1HG   GLN  24          2HG       GLN  24   0.873   1.655   2.396
  213   2HG   GLN  24          1HG       GLN  24   1.006   1.999   0.676
  214   1HE2  GLN  24          1HE2      GLN  24   2.058   2.937   3.583
  215   2HE2  GLN  24          2HE2      GLN  24   2.393   4.603   3.274
  216    H    LEU  25           H        LEU  25  -0.369   5.625   0.404
  217    HA   LEU  25           HA       LEU  25  -2.118   6.743   2.400
  218   1HB   LEU  25          2HB       LEU  25   0.213   7.722   0.854
  219   2HB   LEU  25          1HB       LEU  25  -0.886   8.929   1.490
  220    HG   LEU  25           HG       LEU  25   0.955   8.620   3.019
  221   1HD1  LEU  25          1HD1      LEU  25  -1.743   8.433   3.704
  222   2HD1  LEU  25          2HD1      LEU  25  -0.404   8.911   4.748
  223   3HD1  LEU  25          3HD1      LEU  25  -0.924   7.227   4.698
  224   1HD2  LEU  25          1HD2      LEU  25   0.151   5.720   2.963
  225   2HD2  LEU  25          2HD2      LEU  25   1.217   6.417   4.183
  226   3HD2  LEU  25          3HD2      LEU  25   1.696   6.423   2.486
  227    H    VAL  26           H        VAL  26  -1.668   7.366  -1.037
  228    HA   VAL  26           HA       VAL  26  -3.983   9.104  -1.103
  229    HB   VAL  26           HB       VAL  26  -3.393   8.293  -3.741
  230   1HG1  VAL  26          1HG1      VAL  26  -2.314  10.725  -3.651
  231   2HG1  VAL  26          2HG1      VAL  26  -3.166  10.748  -2.107
  232   3HG1  VAL  26          3HG1      VAL  26  -4.056  10.454  -3.601
  233   1HG2  VAL  26          1HG2      VAL  26  -0.984   8.962  -3.900
  234   2HG2  VAL  26          2HG2      VAL  26  -1.264   7.408  -3.114
  235   3HG2  VAL  26          3HG2      VAL  26  -0.895   8.834  -2.143
  236    H    CYS  27           H        CYS  27  -3.146   5.834  -1.548
  237    HA   CYS  27           HA       CYS  27  -5.364   4.933  -3.007
  238   1HB   CYS  27          2HB       CYS  27  -3.998   3.185  -2.989
  239   2HB   CYS  27          1HB       CYS  27  -3.059   3.835  -1.680
  240    H    ARG  28           H        ARG  28  -4.595   5.136   0.410
  241    HA   ARG  28           HA       ARG  28  -6.972   3.939   1.244
  242   1HB   ARG  28          2HB       ARG  28  -4.903   5.624   2.578
  243   2HB   ARG  28          1HB       ARG  28  -6.418   5.341   3.420
  244   1HG   ARG  28          2HG       ARG  28  -6.044   2.908   3.197
  245   2HG   ARG  28          1HG       ARG  28  -4.478   3.247   2.466
  246   1HD   ARG  28          2HD       ARG  28  -5.384   3.615   5.281
  247   2HD   ARG  28          1HD       ARG  28  -3.895   2.900   4.670
  248    HE   ARG  28           HE       ARG  28  -3.566   5.451   3.962
  249   1HH1  ARG  28          1HH1      ARG  28  -4.593   4.031   6.987
  250   2HH1  ARG  28          2HH1      ARG  28  -3.999   5.343   7.946
  251   1HH2  ARG  28          1HH2      ARG  28  -2.797   7.180   5.228
  252   2HH2  ARG  28          2HH2      ARG  28  -2.979   7.130   6.949
  253    H    LEU  29           H        LEU  29  -6.134   7.209   0.400
  254    HA   LEU  29           HA       LEU  29  -8.521   8.366   1.484
  255   1HB   LEU  29          2HB       LEU  29  -6.467   9.418  -0.442
  256   2HB   LEU  29          1HB       LEU  29  -7.821  10.370   0.138
  257    HG   LEU  29           HG       LEU  29  -5.824   9.120   2.010
  258   1HD1  LEU  29          1HD1      LEU  29  -4.347  10.500   0.994
  259   2HD1  LEU  29          2HD1      LEU  29  -5.117  11.693   2.041
  260   3HD1  LEU  29          3HD1      LEU  29  -5.605  11.556   0.352
  261   1HD2  LEU  29          1HD2      LEU  29  -6.720  11.299   3.251
  262   2HD2  LEU  29          2HD2      LEU  29  -7.543   9.743   3.353
  263   3HD2  LEU  29          3HD2      LEU  29  -8.121  10.974   2.230
  264    H    VAL  30           H        VAL  30  -7.667   6.993  -1.588
  265    HA   VAL  30           HA       VAL  30 -10.063   8.045  -2.851
  266    HB   VAL  30           HB       VAL  30  -8.045   6.162  -4.056
  267   1HG1  VAL  30          1HG1      VAL  30  -9.811   6.064  -5.500
  268   2HG1  VAL  30          2HG1      VAL  30  -8.999   7.495  -6.134
  269   3HG1  VAL  30          3HG1      VAL  30 -10.396   7.671  -5.073
  270   1HG2  VAL  30          1HG2      VAL  30  -7.478   8.693  -3.194
  271   2HG2  VAL  30          2HG2      VAL  30  -7.961   8.974  -4.866
  272   3HG2  VAL  30          3HG2      VAL  30  -6.645   7.857  -4.504
  273    H    LEU  31           H        LEU  31  -8.751   4.849  -2.083
  274    HA   LEU  31           HA       LEU  31 -11.146   3.581  -2.981
  275   1HB   LEU  31          2HB       LEU  31  -8.735   2.586  -2.827
  276   2HB   LEU  31          1HB       LEU  31  -9.223   2.163  -1.196
  277    HG   LEU  31           HG       LEU  31 -10.951   0.728  -1.968
  278   1HD1  LEU  31          1HD1      LEU  31 -12.112   1.662  -3.675
  279   2HD1  LEU  31          2HD1      LEU  31 -11.112   0.560  -4.620
  280   3HD1  LEU  31          3HD1      LEU  31 -10.665   2.261  -4.483
  281   1HD2  LEU  31          1HD2      LEU  31  -9.180  -0.106  -4.108
  282   2HD2  LEU  31          2HD2      LEU  31  -9.599  -0.921  -2.603
  283   3HD2  LEU  31          3HD2      LEU  31  -8.309   0.275  -2.628
  284    H    ARG  32           H        ARG  32 -10.257   5.089  -0.042
  285    HA   ARG  32           HA       ARG  32 -11.919   3.574   1.702
  286   1HB   ARG  32          2HB       ARG  32 -10.297   4.995   2.727
  287   2HB   ARG  32          1HB       ARG  32 -10.864   6.400   1.835
  288   1HG   ARG  32          2HG       ARG  32 -12.924   5.182   3.499
  289   2HG   ARG  32          1HG       ARG  32 -11.526   5.750   4.413
  290   1HD   ARG  32          2HD       ARG  32 -12.236   7.846   4.229
  291   2HD   ARG  32          1HD       ARG  32 -12.202   7.721   2.471
  292    HE   ARG  32           HE       ARG  32 -14.479   7.422   2.470
  293   1HH1  ARG  32          1HH1      ARG  32 -13.279   7.129   5.735
  294   2HH1  ARG  32          2HH1      ARG  32 -14.857   7.130   6.448
  295   1HH2  ARG  32          1HH2      ARG  32 -16.555   7.419   3.407
  296   2HH2  ARG  32          2HH2      ARG  32 -16.717   7.294   5.126
  297    H    CYS  33           H        CYS  33 -12.329   6.276  -0.412
  298    HA   CYS  33           HA       CYS  33 -14.168   7.683  -0.747
  299   1HB   CYS  33          2HB       CYS  33 -15.003   6.808  -2.666
  300   2HB   CYS  33          1HB       CYS  33 -13.715   5.655  -2.393
  301    H    SER  34           H        SER  34 -16.842   6.925  -1.259
  302    HA   SER  34           HA       SER  34 -18.874   6.832  -0.246
  303   1HB   SER  34          2HB       SER  34 -17.469   4.641   0.743
  304   2HB   SER  34          1HB       SER  34 -18.119   5.417   2.187
  305    HG   SER  34           HG       SER  34 -20.142   5.096   1.470
  Start of MODEL    3
    1   1H    CYS   1          1HT       CYS   1 -13.473  -1.105  -3.054
    2   2H    CYS   1          2HT       CYS   1 -14.791  -0.113  -3.528
    3   3H    CYS   1          3HT       CYS   1 -14.822  -0.919  -2.013
    4    HA   CYS   1           HA       CYS   1 -12.767   1.043  -2.732
    5   1HB   CYS   1          2HB       CYS   1 -15.592   1.426  -2.120
    6   2HB   CYS   1          1HB       CYS   1 -14.553   2.248  -0.961
    7    H    TRP   2           H        TRP   2 -12.568  -1.513  -1.340
    8    HA   TRP   2           HA       TRP   2 -11.471  -0.502   1.145
    9   1HB   TRP   2          2HB       TRP   2 -12.639  -2.623   2.269
   10   2HB   TRP   2          1HB       TRP   2 -13.390  -1.033   2.244
   11    HD1  TRP   2           HD       TRP   2 -13.421  -4.188  -0.038
   12    HE1  TRP   2           1HE      TRP   2 -15.830  -4.515  -0.884
   13    HE3  TRP   2           3HE      TRP   2 -15.607  -0.113   2.141
   14    HZ2  TRP   2           2HZ      TRP   2 -18.325  -3.215  -0.659
   15    HZ3  TRP   2           3HZ      TRP   2 -18.009   0.274   1.775
   16    HH2  TRP   2           HH       TRP   2 -19.339  -1.246   0.404
   17    H    LEU   3           H        LEU   3 -10.844  -2.127  -1.489
   18    HA   LEU   3           HA       LEU   3  -9.535  -4.444  -0.301
   19   1HB   LEU   3          2HB       LEU   3  -8.887  -4.033  -3.085
   20   2HB   LEU   3          1HB       LEU   3  -9.683  -5.389  -2.317
   21    HG   LEU   3           HG       LEU   3 -11.048  -2.868  -3.269
   22   1HD1  LEU   3          1HD1      LEU   3 -10.103  -4.861  -4.835
   23   2HD1  LEU   3          2HD1      LEU   3 -11.526  -3.888  -5.209
   24   3HD1  LEU   3          3HD1      LEU   3 -11.714  -5.470  -4.453
   25   1HD2  LEU   3          1HD2      LEU   3 -13.029  -4.624  -2.920
   26   2HD2  LEU   3          2HD2      LEU   3 -12.501  -3.513  -1.656
   27   3HD2  LEU   3          3HD2      LEU   3 -11.934  -5.182  -1.656
   28    H    CYS   4           H        CYS   4  -8.825  -1.291  -0.525
   29    HA   CYS   4           HA       CYS   4  -6.356  -0.950  -1.635
   30   1HB   CYS   4          2HB       CYS   4  -8.016   0.444   0.203
   31   2HB   CYS   4          1HB       CYS   4  -6.370   0.479   0.827
   32    H    ARG   5           H        ARG   5  -6.640  -1.275   1.887
   33    HA   ARG   5           HA       ARG   5  -4.093  -1.693   2.587
   34   1HB   ARG   5          2HB       ARG   5  -5.157  -3.482   4.281
   35   2HB   ARG   5          1HB       ARG   5  -5.347  -1.747   4.464
   36   1HG   ARG   5          2HG       ARG   5  -7.437  -3.022   4.779
   37   2HG   ARG   5          1HG       ARG   5  -7.534  -1.818   3.494
   38   1HD   ARG   5          2HD       ARG   5  -7.607  -3.402   1.832
   39   2HD   ARG   5          1HD       ARG   5  -6.753  -4.607   2.796
   40    HE   ARG   5           HE       ARG   5  -9.221  -4.108   4.005
   41   1HH1  ARG   5          1HH1      ARG   5  -7.957  -5.517   1.073
   42   2HH1  ARG   5          2HH1      ARG   5  -9.281  -6.615   0.881
   43   1HH2  ARG   5          1HH2      ARG   5 -10.964  -5.552   3.754
   44   2HH2  ARG   5          2HH2      ARG   5 -10.990  -6.634   2.403
   45    H    ALA   6           H        ALA   6  -6.004  -4.042   0.842
   46    HA   ALA   6           HA       ALA   6  -4.185  -6.217   1.336
   47   1HB   ALA   6          1HB       ALA   6  -5.559  -7.378  -0.420
   48   2HB   ALA   6          2HB       ALA   6  -6.535  -5.912  -0.512
   49   3HB   ALA   6          3HB       ALA   6  -6.447  -6.818   0.998
   50    H    LEU   7           H        LEU   7  -4.650  -3.841  -1.218
   51    HA   LEU   7           HA       LEU   7  -2.784  -5.172  -2.990
   52   1HB   LEU   7          2HB       LEU   7  -4.526  -4.121  -4.141
   53   2HB   LEU   7          1HB       LEU   7  -4.441  -2.679  -3.149
   54    HG   LEU   7           HG       LEU   7  -2.139  -3.360  -4.939
   55   1HD1  LEU   7          1HD1      LEU   7  -4.842  -2.451  -5.773
   56   2HD1  LEU   7          2HD1      LEU   7  -3.681  -3.475  -6.618
   57   3HD1  LEU   7          3HD1      LEU   7  -3.437  -1.729  -6.555
   58   1HD2  LEU   7          1HD2      LEU   7  -1.529  -1.503  -3.786
   59   2HD2  LEU   7          2HD2      LEU   7  -3.194  -1.001  -3.493
   60   3HD2  LEU   7          3HD2      LEU   7  -2.446  -0.703  -5.062
   61    H    ILE   8           H        ILE   8  -2.803  -2.424  -0.816
   62    HA   ILE   8           HA       ILE   8  -0.240  -1.477  -1.673
   63    HB   ILE   8           HB       ILE   8  -0.407   0.135   0.148
   64   1HG1  ILE   8          2HG1      ILE   8  -2.831  -0.002   1.286
   65   2HG1  ILE   8          1HG1      ILE   8  -2.568  -1.721   1.014
   66   1HG2  ILE   8          1HG2      ILE   8  -1.900   0.057  -2.107
   67   2HG2  ILE   8          2HG2      ILE   8  -1.868   1.419  -0.992
   68   3HG2  ILE   8          3HG2      ILE   8  -3.159   0.223  -0.885
   69   1HD1  ILE   8          1HD1      ILE   8  -0.210  -0.609   2.153
   70   2HD1  ILE   8          2HD1      ILE   8  -1.299  -1.828   2.815
   71   3HD1  ILE   8          3HD1      ILE   8  -1.603  -0.116   3.115
   72    H    LYS   9           H        LYS   9  -1.473  -3.501   0.854
   73    HA   LYS   9           HA       LYS   9   1.017  -3.588   2.273
   74   1HB   LYS   9          2HB       LYS   9  -0.975  -3.942   3.533
   75   2HB   LYS   9          1HB       LYS   9  -1.466  -5.232   2.448
   76   1HG   LYS   9          2HG       LYS   9  -0.643  -6.156   4.524
   77   2HG   LYS   9          1HG       LYS   9   0.416  -6.593   3.189
   78   1HD   LYS   9          2HD       LYS   9   1.532  -5.841   5.352
   79   2HD   LYS   9          1HD       LYS   9   2.075  -5.074   3.861
   80   1HE   LYS   9          2HE       LYS   9   1.099  -3.059   4.381
   81   2HE   LYS   9          1HE       LYS   9  -0.122  -3.795   5.414
   82   1HZ   LYS   9          1HZ       LYS   9   2.024  -2.502   6.331
   83   2HZ   LYS   9          2HZ       LYS   9   2.613  -4.088   6.328
   84   3HZ   LYS   9          3HZ       LYS   9   1.214  -3.708   7.202
   85    H    ARG  10           H        ARG  10  -0.725  -5.523  -0.017
   86    HA   ARG  10           HA       ARG  10   0.933  -7.772  -0.013
   87   1HB   ARG  10          2HB       ARG  10  -1.144  -8.038  -1.092
   88   2HB   ARG  10          1HB       ARG  10  -0.974  -6.535  -1.983
   89   1HG   ARG  10          2HG       ARG  10  -0.737  -8.177  -3.595
   90   2HG   ARG  10          1HG       ARG  10   0.924  -7.711  -3.235
   91   1HD   ARG  10          2HD       ARG  10  -0.455 -10.029  -1.906
   92   2HD   ARG  10          1HD       ARG  10   0.467 -10.196  -3.397
   93    HE   ARG  10           HE       ARG  10   1.546  -9.489  -0.758
   94   1HH1  ARG  10          1HH1      ARG  10   2.088 -10.401  -4.093
   95   2HH1  ARG  10          2HH1      ARG  10   3.765 -10.750  -3.850
   96   1HH2  ARG  10          1HH2      ARG  10   3.751  -9.946  -0.449
   97   2HH2  ARG  10          2HH2      ARG  10   4.709 -10.497  -1.782
   98    H    ILE  11           H        ILE  11   1.041  -4.643  -1.473
   99    HA   ILE  11           HA       ILE  11   3.359  -5.249  -3.081
  100    HB   ILE  11           HB       ILE  11   1.363  -3.185  -3.055
  101   1HG1  ILE  11          2HG1      ILE  11   3.585  -3.650  -5.046
  102   2HG1  ILE  11          1HG1      ILE  11   2.134  -4.645  -4.964
  103   1HG2  ILE  11          1HG2      ILE  11   3.003  -1.824  -1.897
  104   2HG2  ILE  11          2HG2      ILE  11   2.779  -1.246  -3.551
  105   3HG2  ILE  11          3HG2      ILE  11   4.206  -2.196  -3.131
  106   1HD1  ILE  11          1HD1      ILE  11   1.547  -3.169  -6.596
  107   2HD1  ILE  11          2HD1      ILE  11   2.466  -1.843  -5.883
  108   3HD1  ILE  11          3HD1      ILE  11   0.926  -2.329  -5.176
  109    H    GLN  12           H        GLN  12   2.532  -3.458  -0.128
  110    HA   GLN  12           HA       GLN  12   5.207  -2.432   0.108
  111   1HB   GLN  12          2HB       GLN  12   4.497  -1.263   1.963
  112   2HB   GLN  12          1HB       GLN  12   2.999  -1.429   1.067
  113   1HG   GLN  12          2HG       GLN  12   2.084  -2.275   2.884
  114   2HG   GLN  12          1HG       GLN  12   3.123  -3.685   2.705
  115   1HE2  GLN  12          1HE2      GLN  12   5.559  -2.849   3.363
  116   2HE2  GLN  12          2HE2      GLN  12   5.605  -2.259   4.987
  117    H    ALA  13           H        ALA  13   3.748  -5.388   0.720
  118    HA   ALA  13           HA       ALA  13   5.546  -6.117   2.855
  119   1HB   ALA  13          1HB       ALA  13   4.437  -8.397   2.539
  120   2HB   ALA  13          2HB       ALA  13   3.340  -7.569   1.435
  121   3HB   ALA  13          3HB       ALA  13   3.422  -7.080   3.128
  122    H    MET  14           H        MET  14   5.021  -6.693  -0.536
  123    HA   MET  14           HA       MET  14   6.935  -8.682  -0.992
  124   1HB   MET  14          2HB       MET  14   5.134  -7.353  -2.529
  125   2HB   MET  14          1HB       MET  14   6.635  -6.624  -3.087
  126   1HG   MET  14          2HG       MET  14   5.945  -9.541  -3.071
  127   2HG   MET  14          1HG       MET  14   6.072  -8.484  -4.474
  128   1HE   MET  14          1HE       MET  14   7.982 -11.427  -3.225
  129   2HE   MET  14          2HE       MET  14   7.685 -10.478  -1.769
  130   3HE   MET  14          3HE       MET  14   9.337 -10.740  -2.328
  131    H    ILE  15           H        ILE  15   7.204  -5.198  -0.794
  132    HA   ILE  15           HA       ILE  15   9.602  -4.575  -1.859
  133    HB   ILE  15           HB       ILE  15   9.843  -2.778  -0.332
  134   1HG1  ILE  15          2HG1      ILE  15   8.138  -4.417   1.552
  135   2HG1  ILE  15          1HG1      ILE  15   9.812  -3.925   1.779
  136   1HG2  ILE  15          1HG2      ILE  15   7.667  -1.774  -0.345
  137   2HG2  ILE  15          2HG2      ILE  15   6.886  -3.349  -0.463
  138   3HG2  ILE  15          3HG2      ILE  15   7.847  -2.738  -1.810
  139   1HD1  ILE  15          1HD1      ILE  15   9.144  -1.623   2.027
  140   2HD1  ILE  15          2HD1      ILE  15   8.239  -2.637   3.151
  141   3HD1  ILE  15          3HD1      ILE  15   7.466  -2.044   1.680
  142    HA   PRO  16           HA       PRO  16  12.620  -7.110   0.204
  143   1HB   PRO  16          2HB       PRO  16  14.868  -5.824  -0.651
  144   2HB   PRO  16          1HB       PRO  16  13.939  -6.942  -1.654
  145   1HG   PRO  16          2HG       PRO  16  13.977  -3.964  -1.668
  146   2HG   PRO  16          1HG       PRO  16  13.813  -5.095  -3.019
  147   1HD   PRO  16          2HD       PRO  16  11.721  -3.720  -1.891
  148   2HD   PRO  16          1HD       PRO  16  11.551  -5.254  -2.765
  149    H    LYS  17           H        LYS  17  13.969  -3.810   0.170
  150    HA   LYS  17           HA       LYS  17  13.758  -3.671   3.076
  151   1HB   LYS  17          2HB       LYS  17  16.075  -4.610   1.987
  152   2HB   LYS  17          1HB       LYS  17  16.411  -2.886   2.058
  153   1HG   LYS  17          2HG       LYS  17  16.170  -2.825   4.395
  154   2HG   LYS  17          1HG       LYS  17  15.400  -4.412   4.437
  155   1HD   LYS  17          2HD       LYS  17  17.379  -5.527   4.250
  156   2HD   LYS  17          1HD       LYS  17  18.136  -4.248   3.299
  157   1HE   LYS  17          2HE       LYS  17  18.739  -3.037   5.159
  158   2HE   LYS  17          1HE       LYS  17  17.446  -3.714   6.149
  159   1HZ   LYS  17          1HZ       LYS  17  18.691  -5.486   6.723
  160   2HZ   LYS  17          2HZ       LYS  17  19.980  -4.446   6.375
  161   3HZ   LYS  17          3HZ       LYS  17  19.477  -5.581   5.226
  162    H    GLY  18           H        GLY  18  12.214  -2.180   1.509
  163   1HA   GLY  18          2HA       GLY  18  13.548   0.399   1.091
  164   2HA   GLY  18          1HA       GLY  18  11.956  -0.046   0.496
  165    H    GLY  19           H        GLY  19  12.286   2.378   1.690
  166   1HA   GLY  19          2HA       GLY  19  10.327   2.325   3.720
  167   2HA   GLY  19          1HA       GLY  19  11.911   2.500   4.460
  168    H    ARG  20           H        ARG  20   9.414   4.033   2.639
  169    HA   ARG  20           HA       ARG  20  10.488   6.629   3.256
  170   1HB   ARG  20          2HB       ARG  20  10.288   5.705   0.387
  171   2HB   ARG  20          1HB       ARG  20  10.403   7.395   0.855
  172   1HG   ARG  20          2HG       ARG  20  12.564   6.868   1.973
  173   2HG   ARG  20          1HG       ARG  20  12.454   5.239   1.304
  174   1HD   ARG  20          2HD       ARG  20  12.652   6.015  -0.903
  175   2HD   ARG  20          1HD       ARG  20  12.299   7.679  -0.439
  176    HE   ARG  20           HE       ARG  20  14.579   7.167   0.901
  177   1HH1  ARG  20          1HH1      ARG  20  13.668   6.746  -2.442
  178   2HH1  ARG  20          2HH1      ARG  20  15.275   6.977  -3.040
  179   1HH2  ARG  20          1HH2      ARG  20  16.696   7.472   0.115
  180   2HH2  ARG  20          2HH2      ARG  20  16.996   7.390  -1.589
  181    H    MET  21           H        MET  21   8.329   5.582   0.642
  182    HA   MET  21           HA       MET  21   5.972   6.367   2.149
  183   1HB   MET  21          2HB       MET  21   5.753   8.394   1.219
  184   2HB   MET  21          1HB       MET  21   7.210   8.143   0.271
  185   1HG   MET  21          2HG       MET  21   5.784   6.919  -1.413
  186   2HG   MET  21          1HG       MET  21   4.379   7.456  -0.503
  187   1HE   MET  21          1HE       MET  21   7.731   8.822  -1.965
  188   2HE   MET  21          2HE       MET  21   7.446   9.929  -0.623
  189   3HE   MET  21          3HE       MET  21   7.341  10.513  -2.283
  190    H    LEU  22           H        LEU  22   3.979   6.109   0.649
  191    HA   LEU  22           HA       LEU  22   4.351   4.214  -1.474
  192   1HB   LEU  22          2HB       LEU  22   2.423   3.231   0.513
  193   2HB   LEU  22          1HB       LEU  22   3.494   2.390  -0.579
  194    HG   LEU  22           HG       LEU  22   5.395   2.995   0.986
  195   1HD1  LEU  22          1HD1      LEU  22   5.043   4.125   2.881
  196   2HD1  LEU  22          2HD1      LEU  22   3.567   3.230   3.245
  197   3HD1  LEU  22          3HD1      LEU  22   3.512   4.614   2.153
  198   1HD2  LEU  22          1HD2      LEU  22   3.221   1.051   1.438
  199   2HD2  LEU  22          2HD2      LEU  22   4.338   1.304   2.780
  200   3HD2  LEU  22          3HD2      LEU  22   4.950   0.793   1.207
  201    HA   PRO  23           HA       PRO  23   0.370   5.685  -2.721
  202   1HB   PRO  23          2HB       PRO  23  -0.914   3.548  -3.707
  203   2HB   PRO  23          1HB       PRO  23   0.578   4.152  -4.423
  204   1HG   PRO  23          2HG       PRO  23   0.124   1.740  -2.807
  205   2HG   PRO  23          1HG       PRO  23   1.377   2.071  -4.013
  206   1HD   PRO  23          2HD       PRO  23   1.591   2.239  -1.175
  207   2HD   PRO  23          1HD       PRO  23   2.808   2.652  -2.367
  208    H    GLN  24           H        GLN  24   0.163   3.037  -0.483
  209    HA   GLN  24           HA       GLN  24  -2.459   2.789   0.089
  210   1HB   GLN  24          2HB       GLN  24  -1.822   1.720   1.988
  211   2HB   GLN  24          1HB       GLN  24  -0.238   1.839   1.240
  212   1HG   GLN  24          2HG       GLN  24  -1.352   3.717   3.315
  213   2HG   GLN  24          1HG       GLN  24  -0.180   2.434   3.602
  214   1HE2  GLN  24          1HE2      GLN  24   1.108   4.189   4.478
  215   2HE2  GLN  24          2HE2      GLN  24   2.064   5.148   3.406
  216    H    LEU  25           H        LEU  25  -0.532   5.582   0.574
  217    HA   LEU  25           HA       LEU  25  -2.348   6.735   2.500
  218   1HB   LEU  25          2HB       LEU  25  -1.046   8.824   2.162
  219   2HB   LEU  25          1HB       LEU  25  -0.079   7.439   2.630
  220    HG   LEU  25           HG       LEU  25   0.069   7.340  -0.111
  221   1HD1  LEU  25          1HD1      LEU  25  -1.065   9.495  -0.319
  222   2HD1  LEU  25          2HD1      LEU  25   0.609   9.590  -0.866
  223   3HD1  LEU  25          3HD1      LEU  25   0.157  10.239   0.711
  224   1HD2  LEU  25          1HD2      LEU  25   1.922   8.760   1.799
  225   2HD2  LEU  25          2HD2      LEU  25   2.348   8.173   0.192
  226   3HD2  LEU  25          3HD2      LEU  25   1.908   7.030   1.460
  227    H    VAL  26           H        VAL  26  -1.792   7.142  -0.935
  228    HA   VAL  26           HA       VAL  26  -3.978   9.043  -1.165
  229    HB   VAL  26           HB       VAL  26  -3.530   8.316  -3.730
  230   1HG1  VAL  26          1HG1      VAL  26  -1.712  10.273  -2.358
  231   2HG1  VAL  26          2HG1      VAL  26  -3.431  10.582  -2.593
  232   3HG1  VAL  26          3HG1      VAL  26  -2.377  10.351  -3.989
  233   1HG2  VAL  26          1HG2      VAL  26  -1.156   8.002  -4.126
  234   2HG2  VAL  26          2HG2      VAL  26  -1.776   6.706  -3.104
  235   3HG2  VAL  26          3HG2      VAL  26  -0.841   8.020  -2.391
  236    H    CYS  27           H        CYS  27  -3.260   5.729  -1.533
  237    HA   CYS  27           HA       CYS  27  -5.495   4.829  -2.938
  238   1HB   CYS  27          2HB       CYS  27  -4.242   2.996  -2.809
  239   2HB   CYS  27          1HB       CYS  27  -3.189   3.762  -1.656
  240    H    ARG  28           H        ARG  28  -4.743   5.134   0.472
  241    HA   ARG  28           HA       ARG  28  -7.157   4.038   1.357
  242   1HB   ARG  28          2HB       ARG  28  -5.001   5.669   2.616
  243   2HB   ARG  28          1HB       ARG  28  -6.526   5.515   3.476
  244   1HG   ARG  28          2HG       ARG  28  -6.286   3.043   3.335
  245   2HG   ARG  28          1HG       ARG  28  -4.687   3.282   2.635
  246   1HD   ARG  28          2HD       ARG  28  -4.720   4.886   4.915
  247   2HD   ARG  28          1HD       ARG  28  -5.531   3.397   5.399
  248    HE   ARG  28           HE       ARG  28  -2.744   3.730   4.727
  249   1HH1  ARG  28          1HH1      ARG  28  -5.387   1.466   5.040
  250   2HH1  ARG  28          2HH1      ARG  28  -4.352   0.099   5.279
  251   1HH2  ARG  28          1HH2      ARG  28  -1.383   1.929   5.047
  252   2HH2  ARG  28          2HH2      ARG  28  -2.079   0.361   5.280
  253    H    LEU  29           H        LEU  29  -6.178   7.252   0.449
  254    HA   LEU  29           HA       LEU  29  -8.546   8.532   1.452
  255   1HB   LEU  29          2HB       LEU  29  -6.382   9.439  -0.427
  256   2HB   LEU  29          1HB       LEU  29  -7.734  10.459   0.028
  257    HG   LEU  29           HG       LEU  29  -5.951   9.253   2.119
  258   1HD1  LEU  29          1HD1      LEU  29  -4.835  10.721   0.192
  259   2HD1  LEU  29          2HD1      LEU  29  -4.332  10.818   1.880
  260   3HD1  LEU  29          3HD1      LEU  29  -5.437  12.022   1.219
  261   1HD2  LEU  29          1HD2      LEU  29  -7.658  10.194   3.271
  262   2HD2  LEU  29          2HD2      LEU  29  -8.065  11.312   1.970
  263   3HD2  LEU  29          3HD2      LEU  29  -6.700  11.656   3.033
  264    H    VAL  30           H        VAL  30  -7.596   7.147  -1.595
  265    HA   VAL  30           HA       VAL  30  -9.947   8.193  -2.946
  266    HB   VAL  30           HB       VAL  30  -7.862   6.328  -4.060
  267   1HG1  VAL  30          1HG1      VAL  30  -9.678   6.260  -5.511
  268   2HG1  VAL  30          2HG1      VAL  30  -8.653   7.514  -6.209
  269   3HG1  VAL  30          3HG1      VAL  30 -10.069   7.961  -5.258
  270   1HG2  VAL  30          1HG2      VAL  30  -7.335   8.838  -3.142
  271   2HG2  VAL  30          2HG2      VAL  30  -7.752   9.157  -4.825
  272   3HG2  VAL  30          3HG2      VAL  30  -6.448   8.034  -4.436
  273    H    LEU  31           H        LEU  31  -8.658   5.021  -2.085
  274    HA   LEU  31           HA       LEU  31 -10.931   3.691  -3.151
  275   1HB   LEU  31          2HB       LEU  31  -8.480   2.819  -2.578
  276   2HB   LEU  31          1HB       LEU  31  -9.305   2.288  -1.122
  277    HG   LEU  31           HG       LEU  31 -10.842   0.945  -2.408
  278   1HD1  LEU  31          1HD1      LEU  31  -9.590   2.324  -4.754
  279   2HD1  LEU  31          2HD1      LEU  31 -11.297   2.140  -4.350
  280   3HD1  LEU  31          3HD1      LEU  31 -10.374   0.754  -4.930
  281   1HD2  LEU  31          1HD2      LEU  31  -8.554   0.071  -1.880
  282   2HD2  LEU  31          2HD2      LEU  31  -8.097   0.459  -3.536
  283   3HD2  LEU  31          3HD2      LEU  31  -9.368  -0.723  -3.223
  284    H    ARG  32           H        ARG  32 -10.259   5.150  -0.084
  285    HA   ARG  32           HA       ARG  32 -12.134   3.732   1.475
  286   1HB   ARG  32          2HB       ARG  32 -10.595   5.286   2.547
  287   2HB   ARG  32          1HB       ARG  32 -11.279   6.631   1.644
  288   1HG   ARG  32          2HG       ARG  32 -13.015   5.003   3.450
  289   2HG   ARG  32          1HG       ARG  32 -11.962   6.252   4.115
  290   1HD   ARG  32          2HD       ARG  32 -13.343   7.302   1.843
  291   2HD   ARG  32          1HD       ARG  32 -14.509   6.551   2.930
  292    HE   ARG  32           HE       ARG  32 -12.604   8.321   4.197
  293   1HH1  ARG  32          1HH1      ARG  32 -15.763   8.015   2.735
  294   2HH1  ARG  32          2HH1      ARG  32 -16.398   9.420   3.521
  295   1HH2  ARG  32          1HH2      ARG  32 -13.445  10.167   5.231
  296   2HH2  ARG  32          2HH2      ARG  32 -15.085  10.639   4.937
  297    H    CYS  33           H        CYS  33 -12.346   6.627  -0.452
  298    HA   CYS  33           HA       CYS  33 -14.146   7.884  -1.152
  299   1HB   CYS  33          2HB       CYS  33 -14.880   6.885  -3.085
  300   2HB   CYS  33          1HB       CYS  33 -13.516   5.855  -2.700
  301    H    SER  34           H        SER  34 -16.753   7.041  -1.852
  302    HA   SER  34           HA       SER  34 -18.860   6.880  -1.012
  303   1HB   SER  34          2HB       SER  34 -17.504   4.788   0.148
  304   2HB   SER  34          1HB       SER  34 -18.157   5.632   1.552
  305    HG   SER  34           HG       SER  34 -20.212   5.409   0.698
  Start of MODEL    4
    1   1H    CYS   1          1HT       CYS   1 -11.819  -0.108  -3.917
    2   2H    CYS   1          2HT       CYS   1 -12.540   1.034  -4.975
    3   3H    CYS   1          3HT       CYS   1 -13.459  -0.288  -4.382
    4    HA   CYS   1           HA       CYS   1 -12.345   1.926  -2.792
    5   1HB   CYS   1          2HB       CYS   1 -14.349   2.263  -4.412
    6   2HB   CYS   1          1HB       CYS   1 -15.248   1.280  -3.262
    7    H    TRP   2           H        TRP   2 -11.539  -0.524  -1.998
    8    HA   TRP   2           HA       TRP   2 -12.434  -0.778   0.599
    9   1HB   TRP   2          2HB       TRP   2 -14.314  -1.887  -1.222
   10   2HB   TRP   2          1HB       TRP   2 -13.561  -3.227  -0.364
   11    HD1  TRP   2           HD       TRP   2 -13.311  -2.231   2.517
   12    HE1  TRP   2           1HE      TRP   2 -15.375  -1.649   3.937
   13    HE3  TRP   2           3HE      TRP   2 -16.677  -1.400  -1.242
   14    HZ2  TRP   2           2HZ      TRP   2 -18.073  -0.934   3.522
   15    HZ3  TRP   2           3HZ      TRP   2 -18.980  -0.771  -0.643
   16    HH2  TRP   2           HH       TRP   2 -19.662  -0.543   1.690
   17    H    LEU   3           H        LEU   3 -11.057  -2.329  -2.205
   18    HA   LEU   3           HA       LEU   3  -9.818  -4.467  -0.742
   19   1HB   LEU   3          2HB       LEU   3  -9.073  -3.580  -3.510
   20   2HB   LEU   3          1HB       LEU   3  -8.928  -5.179  -2.804
   21    HG   LEU   3           HG       LEU   3 -11.510  -3.800  -3.549
   22   1HD1  LEU   3          1HD1      LEU   3  -9.732  -5.733  -4.906
   23   2HD1  LEU   3          2HD1      LEU   3 -10.799  -4.501  -5.580
   24   3HD1  LEU   3          3HD1      LEU   3 -11.467  -6.031  -5.012
   25   1HD2  LEU   3          1HD2      LEU   3 -12.247  -6.315  -3.141
   26   2HD2  LEU   3          2HD2      LEU   3 -12.240  -5.119  -1.844
   27   3HD2  LEU   3          3HD2      LEU   3 -10.902  -6.257  -2.000
   28    H    CYS   4           H        CYS   4  -9.057  -1.271  -0.732
   29    HA   CYS   4           HA       CYS   4  -6.443  -0.909  -1.350
   30   1HB   CYS   4          2HB       CYS   4  -8.287   0.291   0.523
   31   2HB   CYS   4          1HB       CYS   4  -6.645   0.313   1.158
   32    H    ARG   5           H        ARG   5  -7.097  -1.418   2.080
   33    HA   ARG   5           HA       ARG   5  -4.774  -2.083   3.106
   34   1HB   ARG   5          2HB       ARG   5  -6.030  -3.968   4.433
   35   2HB   ARG   5          1HB       ARG   5  -6.437  -2.274   4.658
   36   1HG   ARG   5          2HG       ARG   5  -8.536  -2.698   4.117
   37   2HG   ARG   5          1HG       ARG   5  -8.026  -3.274   2.529
   38   1HD   ARG   5          2HD       ARG   5  -7.395  -5.394   4.134
   39   2HD   ARG   5          1HD       ARG   5  -8.854  -4.773   4.904
   40    HE   ARG   5           HE       ARG   5  -9.041  -5.099   2.041
   41   1HH1  ARG   5          1HH1      ARG   5  -9.507  -6.604   5.158
   42   2HH1  ARG   5          2HH1      ARG   5 -10.662  -7.751   4.569
   43   1HH2  ARG   5          1HH2      ARG   5 -10.558  -6.607   1.268
   44   2HH2  ARG   5          2HH2      ARG   5 -11.257  -7.753   2.359
   45    H    ALA   6           H        ALA   6  -6.553  -4.311   1.031
   46    HA   ALA   6           HA       ALA   6  -4.929  -6.571   1.450
   47   1HB   ALA   6          1HB       ALA   6  -5.934  -6.958  -1.052
   48   2HB   ALA   6          2HB       ALA   6  -7.073  -5.795  -0.371
   49   3HB   ALA   6          3HB       ALA   6  -6.775  -7.324   0.455
   50    H    LEU   7           H        LEU   7  -4.928  -4.364  -1.391
   51    HA   LEU   7           HA       LEU   7  -2.520  -5.586  -2.361
   52   1HB   LEU   7          2HB       LEU   7  -2.795  -4.389  -4.317
   53   2HB   LEU   7          1HB       LEU   7  -4.434  -4.663  -3.771
   54    HG   LEU   7           HG       LEU   7  -4.264  -2.437  -4.651
   55   1HD1  LEU   7          1HD1      LEU   7  -5.538  -2.936  -2.470
   56   2HD1  LEU   7          2HD1      LEU   7  -5.278  -1.260  -2.951
   57   3HD1  LEU   7          3HD1      LEU   7  -4.263  -1.986  -1.707
   58   1HD2  LEU   7          1HD2      LEU   7  -1.691  -2.426  -3.857
   59   2HD2  LEU   7          2HD2      LEU   7  -2.419  -1.429  -2.595
   60   3HD2  LEU   7          3HD2      LEU   7  -2.594  -0.974  -4.291
   61    H    ILE   8           H        ILE   8  -3.131  -3.021  -0.215
   62    HA   ILE   8           HA       ILE   8  -0.750  -1.562  -0.845
   63    HB   ILE   8           HB       ILE   8  -1.177  -0.313   1.255
   64   1HG1  ILE   8          2HG1      ILE   8  -3.887  -1.360   1.569
   65   2HG1  ILE   8          1HG1      ILE   8  -2.648  -2.542   1.973
   66   1HG2  ILE   8          1HG2      ILE   8  -2.367  -0.077  -1.143
   67   2HG2  ILE   8          2HG2      ILE   8  -2.636   1.032   0.197
   68   3HG2  ILE   8          3HG2      ILE   8  -3.786  -0.266  -0.112
   69   1HD1  ILE   8          1HD1      ILE   8  -3.618  -0.402   3.535
   70   2HD1  ILE   8          2HD1      ILE   8  -1.929  -0.065   3.155
   71   3HD1  ILE   8          3HD1      ILE   8  -2.371  -1.581   3.940
   72    H    LYS   9           H        LYS   9  -1.697  -4.057   1.370
   73    HA   LYS   9           HA       LYS   9   0.756  -3.979   2.854
   74   1HB   LYS   9          2HB       LYS   9  -1.289  -4.861   3.856
   75   2HB   LYS   9          1HB       LYS   9  -1.333  -6.137   2.654
   76   1HG   LYS   9          2HG       LYS   9  -0.429  -7.187   4.510
   77   2HG   LYS   9          1HG       LYS   9   0.980  -6.788   3.527
   78   1HD   LYS   9          2HD       LYS   9   0.975  -6.300   6.107
   79   2HD   LYS   9          1HD       LYS   9   1.702  -5.154   4.985
   80   1HE   LYS   9          2HE       LYS   9  -0.163  -3.703   5.105
   81   2HE   LYS   9          1HE       LYS   9  -1.147  -4.923   5.913
   82   1HZ   LYS   9          1HZ       LYS   9   1.294  -3.730   7.106
   83   2HZ   LYS   9          2HZ       LYS   9   0.157  -4.720   7.874
   84   3HZ   LYS   9          3HZ       LYS   9  -0.270  -3.154   7.399
   85    H    ARG  10           H        ARG  10  -0.622  -5.747   0.199
   86    HA   ARG  10           HA       ARG  10   1.384  -7.653  -0.170
   87   1HB   ARG  10          2HB       ARG  10  -0.671  -7.893  -1.385
   88   2HB   ARG  10          1HB       ARG  10  -0.522  -6.286  -2.079
   89   1HG   ARG  10          2HG       ARG  10  -0.068  -8.207  -3.622
   90   2HG   ARG  10          1HG       ARG  10   1.184  -6.967  -3.544
   91   1HD   ARG  10          2HD       ARG  10   1.873  -9.464  -3.493
   92   2HD   ARG  10          1HD       ARG  10   2.651  -8.338  -2.385
   93    HE   ARG  10           HE       ARG  10   0.691  -9.249  -0.848
   94   1HH1  ARG  10          1HH1      ARG  10   2.865 -10.987  -2.959
   95   2HH1  ARG  10          2HH1      ARG  10   2.819 -12.434  -2.011
   96   1HH2  ARG  10          1HH2      ARG  10   0.644 -11.140   0.398
   97   2HH2  ARG  10          2HH2      ARG  10   1.558 -12.523  -0.106
   98    H    ILE  11           H        ILE  11   1.086  -4.287  -0.820
   99    HA   ILE  11           HA       ILE  11   3.295  -3.986  -2.548
  100    HB   ILE  11           HB       ILE  11   1.427  -2.236  -1.181
  101   1HG1  ILE  11          2HG1      ILE  11   1.598  -2.506  -3.622
  102   2HG1  ILE  11          1HG1      ILE  11   1.795  -0.826  -3.138
  103   1HG2  ILE  11          1HG2      ILE  11   3.334  -1.564   0.150
  104   2HG2  ILE  11          2HG2      ILE  11   2.896  -0.275  -0.972
  105   3HG2  ILE  11          3HG2      ILE  11   4.290  -1.304  -1.309
  106   1HD1  ILE  11          1HD1      ILE  11   3.349  -1.645  -4.926
  107   2HD1  ILE  11          2HD1      ILE  11   4.113  -2.650  -3.695
  108   3HD1  ILE  11          3HD1      ILE  11   4.123  -0.894  -3.531
  109    H    GLN  12           H        GLN  12   2.835  -3.891   0.966
  110    HA   GLN  12           HA       GLN  12   5.414  -3.057   1.673
  111   1HB   GLN  12          2HB       GLN  12   4.865  -3.612   3.844
  112   2HB   GLN  12          1HB       GLN  12   3.264  -3.494   3.138
  113   1HG   GLN  12          2HG       GLN  12   2.808  -5.591   3.667
  114   2HG   GLN  12          1HG       GLN  12   4.262  -6.180   2.879
  115   1HE2  GLN  12          1HE2      GLN  12   6.283  -5.969   4.142
  116   2HE2  GLN  12          2HE2      GLN  12   6.199  -6.230   5.848
  117    H    ALA  13           H        ALA  13   4.155  -6.043   0.500
  118    HA   ALA  13           HA       ALA  13   6.383  -7.657   1.224
  119   1HB   ALA  13          1HB       ALA  13   4.753  -8.495  -1.082
  120   2HB   ALA  13          2HB       ALA  13   3.874  -8.243   0.425
  121   3HB   ALA  13          3HB       ALA  13   5.211  -9.391   0.366
  122    H    MET  14           H        MET  14   5.513  -5.623  -1.447
  123    HA   MET  14           HA       MET  14   7.348  -6.527  -3.354
  124   1HB   MET  14          2HB       MET  14   6.856  -4.632  -4.569
  125   2HB   MET  14          1HB       MET  14   5.455  -4.713  -3.519
  126   1HG   MET  14          2HG       MET  14   5.855  -2.658  -2.826
  127   2HG   MET  14          1HG       MET  14   7.410  -3.167  -2.185
  128   1HE   MET  14          1HE       MET  14   6.646   0.011  -3.918
  129   2HE   MET  14          2HE       MET  14   8.408   0.083  -3.853
  130   3HE   MET  14          3HE       MET  14   7.503  -0.586  -2.496
  131    H    ILE  15           H        ILE  15   7.745  -4.623  -0.461
  132    HA   ILE  15           HA       ILE  15  10.618  -4.937  -0.688
  133    HB   ILE  15           HB       ILE  15  11.159  -2.571  -0.272
  134   1HG1  ILE  15          2HG1      ILE  15   8.252  -2.066  -0.948
  135   2HG1  ILE  15          1HG1      ILE  15   8.987  -1.842   0.633
  136   1HG2  ILE  15          1HG2      ILE  15  10.864  -1.808  -2.564
  137   2HG2  ILE  15          2HG2      ILE  15   9.642  -3.050  -2.829
  138   3HG2  ILE  15          3HG2      ILE  15  11.314  -3.512  -2.515
  139   1HD1  ILE  15          1HD1      ILE  15  10.562  -0.209  -0.560
  140   2HD1  ILE  15          2HD1      ILE  15   8.901   0.295  -0.249
  141   3HD1  ILE  15          3HD1      ILE  15   9.372  -0.243  -1.861
  142    HA   PRO  16           HA       PRO  16   9.546  -5.310   3.665
  143   1HB   PRO  16          2HB       PRO  16  11.532  -6.954   4.361
  144   2HB   PRO  16          1HB       PRO  16  10.173  -7.523   3.384
  145   1HG   PRO  16          2HG       PRO  16  12.943  -6.793   2.537
  146   2HG   PRO  16          1HG       PRO  16  11.908  -8.116   1.970
  147   1HD   PRO  16          2HD       PRO  16  12.265  -5.687   0.667
  148   2HD   PRO  16          1HD       PRO  16  10.908  -6.800   0.406
  149    H    LYS  17           H        LYS  17  12.898  -4.799   2.573
  150    HA   LYS  17           HA       LYS  17  13.324  -3.067   4.916
  151   1HB   LYS  17          2HB       LYS  17  14.808  -5.211   4.152
  152   2HB   LYS  17          1HB       LYS  17  15.663  -3.915   3.327
  153   1HG   LYS  17          2HG       LYS  17  16.106  -2.789   5.366
  154   2HG   LYS  17          1HG       LYS  17  15.008  -3.843   6.259
  155   1HD   LYS  17          2HD       LYS  17  16.478  -5.751   5.804
  156   2HD   LYS  17          1HD       LYS  17  17.575  -4.691   4.917
  157   1HE   LYS  17          2HE       LYS  17  17.904  -3.369   6.979
  158   2HE   LYS  17          1HE       LYS  17  16.879  -4.512   7.847
  159   1HZ   LYS  17          1HZ       LYS  17  18.444  -6.210   7.591
  160   2HZ   LYS  17          2HZ       LYS  17  19.372  -4.854   7.990
  161   3HZ   LYS  17          3HZ       LYS  17  19.298  -5.385   6.385
  162    H    GLY  18           H        GLY  18  11.923  -1.969   2.829
  163   1HA   GLY  18          2HA       GLY  18  13.808  -0.495   1.162
  164   2HA   GLY  18          1HA       GLY  18  12.056  -0.460   1.033
  165    H    GLY  19           H        GLY  19  12.169   1.839   0.888
  166   1HA   GLY  19          2HA       GLY  19  11.612   3.203   3.240
  167   2HA   GLY  19          1HA       GLY  19  13.325   3.440   2.932
  168    H    ARG  20           H        ARG  20  10.266   4.640   2.374
  169    HA   ARG  20           HA       ARG  20  11.105   6.859   0.930
  170   1HB   ARG  20          2HB       ARG  20  10.943   4.613  -0.734
  171   2HB   ARG  20          1HB       ARG  20   9.487   5.536  -1.077
  172   1HG   ARG  20          2HG       ARG  20  10.664   6.884  -2.370
  173   2HG   ARG  20          1HG       ARG  20  11.618   7.378  -0.971
  174   1HD   ARG  20          2HD       ARG  20  12.626   4.877  -1.708
  175   2HD   ARG  20          1HD       ARG  20  12.367   5.738  -3.224
  176    HE   ARG  20           HE       ARG  20  13.706   7.325  -1.252
  177   1HH1  ARG  20          1HH1      ARG  20  14.156   4.904  -3.723
  178   2HH1  ARG  20          2HH1      ARG  20  15.814   5.316  -4.003
  179   1HH2  ARG  20          1HH2      ARG  20  15.886   7.873  -1.621
  180   2HH2  ARG  20          2HH2      ARG  20  16.797   7.002  -2.809
  181    H    MET  21           H        MET  21   8.254   4.856   0.263
  182    HA   MET  21           HA       MET  21   6.481   6.002   2.073
  183   1HB   MET  21          2HB       MET  21   6.785   8.118   0.973
  184   2HB   MET  21          1HB       MET  21   6.575   7.386  -0.611
  185   1HG   MET  21          2HG       MET  21   4.272   7.110  -0.309
  186   2HG   MET  21          1HG       MET  21   4.382   7.352   1.433
  187   1HE   MET  21          1HE       MET  21   5.600   9.377   2.323
  188   2HE   MET  21          2HE       MET  21   4.888  10.960   2.009
  189   3HE   MET  21          3HE       MET  21   6.359  10.471   1.167
  190    H    LEU  22           H        LEU  22   4.162   5.511   1.471
  191    HA   LEU  22           HA       LEU  22   4.102   3.227  -0.369
  192   1HB   LEU  22          2HB       LEU  22   3.071   3.615   2.345
  193   2HB   LEU  22          1HB       LEU  22   1.916   2.930   1.214
  194    HG   LEU  22           HG       LEU  22   4.109   1.390   0.715
  195   1HD1  LEU  22          1HD1      LEU  22   5.589   1.918   2.349
  196   2HD1  LEU  22          2HD1      LEU  22   4.624   0.746   3.247
  197   3HD1  LEU  22          3HD1      LEU  22   4.336   2.472   3.460
  198   1HD2  LEU  22          1HD2      LEU  22   2.093   0.297   0.962
  199   2HD2  LEU  22          2HD2      LEU  22   1.739   1.075   2.505
  200   3HD2  LEU  22          3HD2      LEU  22   2.951  -0.204   2.419
  201    HA   PRO  23           HA       PRO  23   0.593   5.028  -2.352
  202   1HB   PRO  23          2HB       PRO  23  -0.721   2.754  -3.079
  203   2HB   PRO  23          1HB       PRO  23   0.768   3.321  -3.820
  204   1HG   PRO  23          2HG       PRO  23   0.350   0.996  -2.157
  205   2HG   PRO  23          1HG       PRO  23   1.788   1.454  -3.081
  206   1HD   PRO  23          2HD       PRO  23   1.240   1.791  -0.236
  207   2HD   PRO  23          1HD       PRO  23   2.757   1.952  -1.096
  208    H    GLN  24           H        GLN  24  -0.008   2.888   0.291
  209    HA   GLN  24           HA       GLN  24  -2.720   2.800   0.517
  210   1HB   GLN  24          2HB       GLN  24  -2.343   2.724   2.999
  211   2HB   GLN  24          1HB       GLN  24  -1.356   1.598   2.077
  212   1HG   GLN  24          2HG       GLN  24   0.286   2.407   3.374
  213   2HG   GLN  24          1HG       GLN  24   0.320   3.690   2.167
  214   1HE2  GLN  24          1HE2      GLN  24   1.028   3.678   5.037
  215   2HE2  GLN  24          2HE2      GLN  24   0.087   4.943   5.746
  216    H    LEU  25           H        LEU  25  -0.641   5.513   0.850
  217    HA   LEU  25           HA       LEU  25  -2.508   7.092   2.341
  218   1HB   LEU  25          2HB       LEU  25  -1.060   8.987   1.854
  219   2HB   LEU  25          1HB       LEU  25  -0.129   7.604   2.398
  220    HG   LEU  25           HG       LEU  25  -0.014   7.243  -0.286
  221   1HD1  LEU  25          1HD1      LEU  25   0.291   9.300  -1.419
  222   2HD1  LEU  25          2HD1      LEU  25   0.170  10.224   0.078
  223   3HD1  LEU  25          3HD1      LEU  25  -1.254   9.415  -0.576
  224   1HD2  LEU  25          1HD2      LEU  25   2.236   7.937  -0.135
  225   2HD2  LEU  25          2HD2      LEU  25   1.809   7.320   1.462
  226   3HD2  LEU  25          3HD2      LEU  25   1.881   9.059   1.178
  227    H    VAL  26           H        VAL  26  -1.764   6.822  -1.075
  228    HA   VAL  26           HA       VAL  26  -3.788   8.797  -1.747
  229    HB   VAL  26           HB       VAL  26  -3.305   7.702  -4.130
  230   1HG1  VAL  26          1HG1      VAL  26  -2.055   9.574  -4.608
  231   2HG1  VAL  26          2HG1      VAL  26  -1.167   9.501  -3.086
  232   3HG1  VAL  26          3HG1      VAL  26  -2.840  10.061  -3.105
  233   1HG2  VAL  26          1HG2      VAL  26  -1.808   5.967  -3.232
  234   2HG2  VAL  26          2HG2      VAL  26  -0.716   7.228  -2.658
  235   3HG2  VAL  26          3HG2      VAL  26  -0.995   7.023  -4.386
  236    H    CYS  27           H        CYS  27  -3.257   5.423  -1.584
  237    HA   CYS  27           HA       CYS  27  -5.529   4.476  -2.898
  238   1HB   CYS  27          2HB       CYS  27  -4.416   2.604  -2.493
  239   2HB   CYS  27          1HB       CYS  27  -3.327   3.442  -1.431
  240    H    ARG  28           H        ARG  28  -4.852   5.185   0.483
  241    HA   ARG  28           HA       ARG  28  -7.426   4.389   1.305
  242   1HB   ARG  28          2HB       ARG  28  -5.253   5.979   2.635
  243   2HB   ARG  28          1HB       ARG  28  -6.821   5.775   3.405
  244   1HG   ARG  28          2HG       ARG  28  -6.499   3.542   3.791
  245   2HG   ARG  28          1HG       ARG  28  -5.400   3.342   2.432
  246   1HD   ARG  28          2HD       ARG  28  -4.516   3.304   4.908
  247   2HD   ARG  28          1HD       ARG  28  -3.582   4.068   3.629
  248    HE   ARG  28           HE       ARG  28  -4.045   6.148   4.542
  249   1HH1  ARG  28          1HH1      ARG  28  -5.795   3.653   6.253
  250   2HH1  ARG  28          2HH1      ARG  28  -6.231   4.692   7.567
  251   1HH2  ARG  28          1HH2      ARG  28  -4.630   7.510   6.265
  252   2HH2  ARG  28          2HH2      ARG  28  -5.574   6.880   7.572
  253    H    LEU  29           H        LEU  29  -6.099   7.337   0.063
  254    HA   LEU  29           HA       LEU  29  -8.329   8.961   0.873
  255   1HB   LEU  29          2HB       LEU  29  -5.973   9.413  -0.923
  256   2HB   LEU  29          1HB       LEU  29  -7.261  10.596  -0.794
  257    HG   LEU  29           HG       LEU  29  -5.789   9.612   1.635
  258   1HD1  LEU  29          1HD1      LEU  29  -4.207  10.536  -0.085
  259   2HD1  LEU  29          2HD1      LEU  29  -4.236  11.394   1.455
  260   3HD1  LEU  29          3HD1      LEU  29  -5.068  12.068   0.054
  261   1HD2  LEU  29          1HD2      LEU  29  -7.533  10.781   2.474
  262   2HD2  LEU  29          2HD2      LEU  29  -7.761  11.715   0.996
  263   3HD2  LEU  29          3HD2      LEU  29  -6.481  12.153   2.126
  264    H    VAL  30           H        VAL  30  -7.389   7.227  -2.008
  265    HA   VAL  30           HA       VAL  30  -9.646   8.276  -3.522
  266    HB   VAL  30           HB       VAL  30  -7.614   6.211  -4.377
  267   1HG1  VAL  30          1HG1      VAL  30  -9.276   5.996  -5.933
  268   2HG1  VAL  30          2HG1      VAL  30  -8.365   7.321  -6.657
  269   3HG1  VAL  30          3HG1      VAL  30  -9.831   7.658  -5.737
  270   1HG2  VAL  30          1HG2      VAL  30  -6.867   8.649  -3.695
  271   2HG2  VAL  30          2HG2      VAL  30  -7.498   9.043  -5.293
  272   3HG2  VAL  30          3HG2      VAL  30  -6.206   7.854  -5.124
  273    H    LEU  31           H        LEU  31  -8.638   5.269  -2.052
  274    HA   LEU  31           HA       LEU  31 -10.928   3.890  -3.127
  275   1HB   LEU  31          2HB       LEU  31  -8.440   3.063  -2.391
  276   2HB   LEU  31          1HB       LEU  31  -9.411   2.520  -1.035
  277    HG   LEU  31           HG       LEU  31 -10.711   1.106  -2.390
  278   1HD1  LEU  31          1HD1      LEU  31 -11.274   2.402  -4.268
  279   2HD1  LEU  31          2HD1      LEU  31 -10.336   1.056  -4.911
  280   3HD1  LEU  31          3HD1      LEU  31  -9.584   2.638  -4.713
  281   1HD2  LEU  31          1HD2      LEU  31  -7.837   1.023  -3.259
  282   2HD2  LEU  31          2HD2      LEU  31  -9.005  -0.241  -3.648
  283   3HD2  LEU  31          3HD2      LEU  31  -8.606   0.106  -1.966
  284    H    ARG  32           H        ARG  32 -10.272   5.715  -0.325
  285    HA   ARG  32           HA       ARG  32 -12.119   4.440   1.438
  286   1HB   ARG  32          2HB       ARG  32 -10.564   5.891   2.477
  287   2HB   ARG  32          1HB       ARG  32 -10.901   7.196   1.349
  288   1HG   ARG  32          2HG       ARG  32 -13.150   6.285   3.039
  289   2HG   ARG  32          1HG       ARG  32 -11.837   7.144   3.844
  290   1HD   ARG  32          2HD       ARG  32 -12.542   9.095   3.041
  291   2HD   ARG  32          1HD       ARG  32 -12.543   8.471   1.393
  292    HE   ARG  32           HE       ARG  32 -14.809   8.083   1.557
  293   1HH1  ARG  32          1HH1      ARG  32 -13.534   8.942   4.693
  294   2HH1  ARG  32          2HH1      ARG  32 -15.097   9.156   5.405
  295   1HH2  ARG  32          1HH2      ARG  32 -16.862   8.363   2.495
  296   2HH2  ARG  32          2HH2      ARG  32 -16.985   8.827   4.160
  297    H    CYS  33           H        CYS  33 -12.497   6.033  -1.432
  298    HA   CYS  33           HA       CYS  33 -14.503   7.753  -1.493
  299   1HB   CYS  33          2HB       CYS  33 -14.641   7.212  -3.694
  300   2HB   CYS  33          1HB       CYS  33 -13.266   6.201  -3.309
  301    H    SER  34           H        SER  34 -16.847   7.533  -1.983
  302    HA   SER  34           HA       SER  34 -18.963   6.932  -1.399
  303   1HB   SER  34          2HB       SER  34 -18.124   4.718  -2.404
  304   2HB   SER  34          1HB       SER  34 -17.934   4.176  -0.737
  305    HG   SER  34           HG       SER  34 -20.080   4.244  -0.449
  Start of MODEL    5
    1   1H    CYS   1          1HT       CYS   1 -12.828  -1.801  -4.114
    2   2H    CYS   1          2HT       CYS   1 -14.148  -1.492  -5.167
    3   3H    CYS   1          3HT       CYS   1 -14.418  -2.245  -3.648
    4    HA   CYS   1           HA       CYS   1 -13.544   0.514  -4.169
    5   1HB   CYS   1          2HB       CYS   1 -15.917   0.120  -4.493
    6   2HB   CYS   1          1HB       CYS   1 -16.025  -0.727  -2.954
    7    H    TRP   2           H        TRP   2 -13.084  -2.148  -2.162
    8    HA   TRP   2           HA       TRP   2 -11.957  -0.434  -0.092
    9   1HB   TRP   2          2HB       TRP   2 -12.979  -2.263   1.561
   10   2HB   TRP   2          1HB       TRP   2 -13.850  -0.795   1.136
   11    HD1  TRP   2           HD       TRP   2 -13.654  -4.475  -0.093
   12    HE1  TRP   2           1HE      TRP   2 -16.008  -5.174  -0.862
   13    HE3  TRP   2           3HE      TRP   2 -16.088  -0.035   0.605
   14    HZ2  TRP   2           2HZ      TRP   2 -18.561  -4.000  -1.134
   15    HZ3  TRP   2           3HZ      TRP   2 -18.486   0.094   0.067
   16    HH2  TRP   2           HH       TRP   2 -19.696  -1.848  -0.783
   17    H    LEU   3           H        LEU   3 -11.021  -2.320  -2.244
   18    HA   LEU   3           HA       LEU   3  -9.768  -4.455  -0.712
   19   1HB   LEU   3          2HB       LEU   3  -9.161  -3.902  -3.587
   20   2HB   LEU   3          1HB       LEU   3  -9.188  -5.434  -2.736
   21    HG   LEU   3           HG       LEU   3 -11.728  -3.904  -3.191
   22   1HD1  LEU   3          1HD1      LEU   3 -10.109  -5.390  -5.174
   23   2HD1  LEU   3          2HD1      LEU   3 -11.227  -4.045  -5.397
   24   3HD1  LEU   3          3HD1      LEU   3 -11.848  -5.679  -5.169
   25   1HD2  LEU   3          1HD2      LEU   3 -12.343  -6.504  -3.373
   26   2HD2  LEU   3          2HD2      LEU   3 -12.310  -5.625  -1.845
   27   3HD2  LEU   3          3HD2      LEU   3 -10.928  -6.612  -2.324
   28    H    CYS   4           H        CYS   4  -9.136  -1.284  -1.140
   29    HA   CYS   4           HA       CYS   4  -6.566  -0.955  -1.986
   30   1HB   CYS   4          2HB       CYS   4  -8.445   0.586  -0.633
   31   2HB   CYS   4          1HB       CYS   4  -7.032   0.599   0.417
   32    H    ARG   5           H        ARG   5  -7.234  -1.047   1.512
   33    HA   ARG   5           HA       ARG   5  -4.844  -1.346   2.601
   34   1HB   ARG   5          2HB       ARG   5  -5.904  -3.093   4.198
   35   2HB   ARG   5          1HB       ARG   5  -6.590  -1.477   4.120
   36   1HG   ARG   5          2HG       ARG   5  -8.567  -2.345   3.646
   37   2HG   ARG   5          1HG       ARG   5  -7.905  -3.045   2.168
   38   1HD   ARG   5          2HD       ARG   5  -6.994  -4.859   3.862
   39   2HD   ARG   5          1HD       ARG   5  -8.350  -4.290   4.834
   40    HE   ARG   5           HE       ARG   5  -8.475  -5.914   2.487
   41   1HH1  ARG   5          1HH1      ARG   5 -10.204  -3.511   4.336
   42   2HH1  ARG   5          2HH1      ARG   5 -11.759  -4.013   3.764
   43   1HH2  ARG   5          1HH2      ARG   5 -10.520  -6.569   1.735
   44   2HH2  ARG   5          2HH2      ARG   5 -11.939  -5.746   2.291
   45    H    ALA   6           H        ALA   6  -6.506  -4.054   1.013
   46    HA   ALA   6           HA       ALA   6  -4.571  -6.019   1.588
   47   1HB   ALA   6          1HB       ALA   6  -7.035  -6.074   0.513
   48   2HB   ALA   6          2HB       ALA   6  -5.891  -7.414   0.406
   49   3HB   ALA   6          3HB       ALA   6  -6.059  -6.289  -0.941
   50    H    LEU   7           H        LEU   7  -4.854  -3.713  -1.054
   51    HA   LEU   7           HA       LEU   7  -2.775  -4.839  -2.642
   52   1HB   LEU   7          2HB       LEU   7  -4.501  -3.497  -3.666
   53   2HB   LEU   7          1HB       LEU   7  -4.083  -2.125  -2.659
   54    HG   LEU   7           HG       LEU   7  -1.708  -2.715  -3.961
   55   1HD1  LEU   7          1HD1      LEU   7  -2.363  -4.057  -5.659
   56   2HD1  LEU   7          2HD1      LEU   7  -2.778  -2.508  -6.396
   57   3HD1  LEU   7          3HD1      LEU   7  -4.029  -3.481  -5.622
   58   1HD2  LEU   7          1HD2      LEU   7  -2.008  -0.495  -3.899
   59   2HD2  LEU   7          2HD2      LEU   7  -3.764  -0.630  -3.995
   60   3HD2  LEU   7          3HD2      LEU   7  -2.792  -0.713  -5.465
   61    H    ILE   8           H        ILE   8  -2.979  -2.289  -0.223
   62    HA   ILE   8           HA       ILE   8  -0.391  -1.283  -0.617
   63    HB   ILE   8           HB       ILE   8  -0.627  -0.054   1.366
   64   1HG1  ILE   8          2HG1      ILE   8  -2.961  -1.084   2.640
   65   2HG1  ILE   8          1HG1      ILE   8  -1.848  -2.421   2.394
   66   1HG2  ILE   8          1HG2      ILE   8  -2.203   0.626  -0.342
   67   2HG2  ILE   8          2HG2      ILE   8  -2.892   0.873   1.263
   68   3HG2  ILE   8          3HG2      ILE   8  -3.404  -0.502   0.287
   69   1HD1  ILE   8          1HD1      ILE   8  -1.488  -1.421   4.551
   70   2HD1  ILE   8          2HD1      ILE   8  -1.247   0.162   3.808
   71   3HD1  ILE   8          3HD1      ILE   8  -0.087  -1.136   3.518
   72    H    LYS   9           H        LYS   9  -1.649  -4.054   0.946
   73    HA   LYS   9           HA       LYS   9   0.650  -4.563   2.550
   74   1HB   LYS   9          2HB       LYS   9  -1.793  -5.352   2.875
   75   2HB   LYS   9          1HB       LYS   9  -1.329  -6.670   1.814
   76   1HG   LYS   9          2HG       LYS   9  -0.528  -7.731   3.581
   77   2HG   LYS   9          1HG       LYS   9   0.706  -6.483   3.720
   78   1HD   LYS   9          2HD       LYS   9  -2.010  -6.486   5.037
   79   2HD   LYS   9          1HD       LYS   9  -0.452  -6.718   5.832
   80   1HE   LYS   9          2HE       LYS   9   0.205  -4.439   5.156
   81   2HE   LYS   9          1HE       LYS   9  -1.384  -4.213   4.426
   82   1HZ   LYS   9          1HZ       LYS   9  -2.420  -4.249   6.497
   83   2HZ   LYS   9          2HZ       LYS   9  -1.031  -3.322   6.763
   84   3HZ   LYS   9          3HZ       LYS   9  -1.083  -4.932   7.278
   85    H    ARG  10           H        ARG  10  -0.505  -5.466  -0.602
   86    HA   ARG  10           HA       ARG  10   1.439  -7.503  -1.039
   87   1HB   ARG  10          2HB       ARG  10   0.259  -5.880  -3.273
   88   2HB   ARG  10          1HB       ARG  10   0.696  -7.582  -3.257
   89   1HG   ARG  10          2HG       ARG  10  -1.714  -6.261  -2.078
   90   2HG   ARG  10          1HG       ARG  10  -1.641  -7.549  -3.276
   91   1HD   ARG  10          2HD       ARG  10  -1.306  -7.672  -0.317
   92   2HD   ARG  10          1HD       ARG  10  -2.237  -8.720  -1.385
   93    HE   ARG  10           HE       ARG  10   0.437  -9.110  -0.542
   94   1HH1  ARG  10          1HH1      ARG  10  -1.660  -9.528  -3.304
   95   2HH1  ARG  10          2HH1      ARG  10  -0.725 -10.822  -3.972
   96   1HH2  ARG  10          1HH2      ARG  10   1.660 -10.817  -1.420
   97   2HH2  ARG  10          2HH2      ARG  10   1.156 -11.555  -2.904
   98    H    ILE  11           H        ILE  11   1.446  -4.106  -0.895
   99    HA   ILE  11           HA       ILE  11   3.845  -3.730  -2.489
  100    HB   ILE  11           HB       ILE  11   1.835  -2.024  -1.433
  101   1HG1  ILE  11          2HG1      ILE  11   3.634  -0.306  -2.547
  102   2HG1  ILE  11          1HG1      ILE  11   4.153  -1.836  -3.247
  103   1HG2  ILE  11          1HG2      ILE  11   3.143  -1.842   0.608
  104   2HG2  ILE  11          2HG2      ILE  11   3.126  -0.307  -0.265
  105   3HG2  ILE  11          3HG2      ILE  11   4.554  -1.343  -0.326
  106   1HD1  ILE  11          1HD1      ILE  11   2.642  -0.999  -4.788
  107   2HD1  ILE  11          2HD1      ILE  11   1.537  -0.422  -3.539
  108   3HD1  ILE  11          3HD1      ILE  11   1.682  -2.151  -3.860
  109    H    GLN  12           H        GLN  12   2.718  -4.161   0.734
  110    HA   GLN  12           HA       GLN  12   4.881  -3.526   2.299
  111   1HB   GLN  12          2HB       GLN  12   2.449  -4.936   2.514
  112   2HB   GLN  12          1HB       GLN  12   3.686  -5.993   3.160
  113   1HG   GLN  12          2HG       GLN  12   2.410  -3.715   4.273
  114   2HG   GLN  12          1HG       GLN  12   3.418  -4.960   5.037
  115   1HE2  GLN  12          1HE2      GLN  12   5.831  -4.659   4.484
  116   2HE2  GLN  12          2HE2      GLN  12   6.445  -3.055   4.679
  117    H    ALA  13           H        ALA  13   3.996  -6.695   1.015
  118    HA   ALA  13           HA       ALA  13   6.347  -7.905   1.838
  119   1HB   ALA  13          1HB       ALA  13   4.157  -9.038   1.203
  120   2HB   ALA  13          2HB       ALA  13   5.640  -9.843   0.690
  121   3HB   ALA  13          3HB       ALA  13   4.700  -8.904  -0.470
  122    H    MET  14           H        MET  14   5.493  -6.142  -1.029
  123    HA   MET  14           HA       MET  14   7.506  -6.946  -2.773
  124   1HB   MET  14          2HB       MET  14   6.844  -5.226  -4.102
  125   2HB   MET  14          1HB       MET  14   5.502  -5.173  -2.975
  126   1HG   MET  14          2HG       MET  14   5.962  -3.025  -2.700
  127   2HG   MET  14          1HG       MET  14   7.402  -3.516  -1.818
  128   1HE   MET  14          1HE       MET  14   7.369  -0.479  -4.085
  129   2HE   MET  14          2HE       MET  14   8.994  -0.749  -3.453
  130   3HE   MET  14          3HE       MET  14   7.589  -1.061  -2.436
  131    H    ILE  15           H        ILE  15   7.644  -4.936   0.050
  132    HA   ILE  15           HA       ILE  15  10.555  -4.937  -0.113
  133    HB   ILE  15           HB       ILE  15  10.644  -2.520   0.559
  134   1HG1  ILE  15          2HG1      ILE  15   8.260  -1.637  -0.711
  135   2HG1  ILE  15          1HG1      ILE  15   7.799  -2.839   0.492
  136   1HG2  ILE  15          1HG2      ILE  15  11.369  -2.915  -1.600
  137   2HG2  ILE  15          2HG2      ILE  15  10.093  -1.719  -1.844
  138   3HG2  ILE  15          3HG2      ILE  15   9.774  -3.427  -2.155
  139   1HD1  ILE  15          1HD1      ILE  15   9.030  -0.168   0.846
  140   2HD1  ILE  15          2HD1      ILE  15   9.438  -1.437   2.003
  141   3HD1  ILE  15          3HD1      ILE  15   7.754  -0.965   1.769
  142    HA   PRO  16           HA       PRO  16   9.237  -5.868   4.166
  143   1HB   PRO  16          2HB       PRO  16  11.340  -7.450   4.761
  144   2HB   PRO  16          1HB       PRO  16   9.960  -8.033   3.821
  145   1HG   PRO  16          2HG       PRO  16  12.646  -7.114   2.873
  146   2HG   PRO  16          1HG       PRO  16  11.689  -8.508   2.342
  147   1HD   PRO  16          2HD       PRO  16  11.785  -6.157   0.968
  148   2HD   PRO  16          1HD       PRO  16  10.380  -7.241   0.949
  149    H    LYS  17           H        LYS  17  12.623  -5.236   3.224
  150    HA   LYS  17           HA       LYS  17  12.921  -3.602   5.648
  151   1HB   LYS  17          2HB       LYS  17  14.478  -5.602   5.150
  152   2HB   LYS  17          1HB       LYS  17  15.204  -4.557   3.936
  153   1HG   LYS  17          2HG       LYS  17  15.430  -2.867   5.887
  154   2HG   LYS  17          1HG       LYS  17  15.207  -4.287   6.910
  155   1HD   LYS  17          2HD       LYS  17  17.137  -5.345   5.994
  156   2HD   LYS  17          1HD       LYS  17  17.280  -4.121   4.729
  157   1HE   LYS  17          2HE       LYS  17  18.380  -2.708   6.071
  158   2HE   LYS  17          1HE       LYS  17  17.280  -2.996   7.418
  159   1HZ   LYS  17          1HZ       LYS  17  18.639  -4.523   8.306
  160   2HZ   LYS  17          2HZ       LYS  17  19.835  -3.778   7.370
  161   3HZ   LYS  17          3HZ       LYS  17  19.078  -5.183   6.811
  162    H    GLY  18           H        GLY  18  11.519  -2.355   3.733
  163   1HA   GLY  18          2HA       GLY  18  13.416  -0.661   2.253
  164   2HA   GLY  18          1HA       GLY  18  11.697  -0.806   1.917
  165    H    GLY  19           H        GLY  19  12.525   1.687   1.987
  166   1HA   GLY  19          2HA       GLY  19  11.108   2.801   4.200
  167   2HA   GLY  19          1HA       GLY  19  12.840   3.040   4.371
  168    H    ARG  20           H        ARG  20  10.027   4.347   3.196
  169    HA   ARG  20           HA       ARG  20  11.222   6.666   2.196
  170   1HB   ARG  20          2HB       ARG  20  10.777   4.522   0.214
  171   2HB   ARG  20          1HB       ARG  20  10.172   6.106  -0.248
  172   1HG   ARG  20          2HG       ARG  20  12.634   6.766   0.635
  173   2HG   ARG  20          1HG       ARG  20  12.932   5.138   0.021
  174   1HD   ARG  20          2HD       ARG  20  11.370   6.304  -1.940
  175   2HD   ARG  20          1HD       ARG  20  12.429   7.613  -1.418
  176    HE   ARG  20           HE       ARG  20  13.163   5.404  -3.004
  177   1HH1  ARG  20          1HH1      ARG  20  14.350   7.354  -0.366
  178   2HH1  ARG  20          2HH1      ARG  20  16.017   7.073  -0.743
  179   1HH2  ARG  20          1HH2      ARG  20  15.353   5.032  -3.503
  180   2HH2  ARG  20          2HH2      ARG  20  16.587   5.755  -2.524
  181    H    MET  21           H        MET  21   8.492   4.963   0.716
  182    HA   MET  21           HA       MET  21   6.502   6.192   2.344
  183   1HB   MET  21          2HB       MET  21   6.703   8.205   1.208
  184   2HB   MET  21          1HB       MET  21   7.188   7.430  -0.293
  185   1HG   MET  21          2HG       MET  21   4.894   6.679  -0.663
  186   2HG   MET  21          1HG       MET  21   4.396   7.417   0.855
  187   1HE   MET  21          1HE       MET  21   6.516  10.321   0.188
  188   2HE   MET  21          2HE       MET  21   5.251   9.891   1.339
  189   3HE   MET  21          3HE       MET  21   4.983  11.193   0.181
  190    H    LEU  22           H        LEU  22   4.285   5.707   1.496
  191    HA   LEU  22           HA       LEU  22   4.318   3.305  -0.187
  192   1HB   LEU  22          2HB       LEU  22   2.885   3.913   2.361
  193   2HB   LEU  22          1HB       LEU  22   2.186   2.819   1.195
  194    HG   LEU  22           HG       LEU  22   4.652   2.471   2.863
  195   1HD1  LEU  22          1HD1      LEU  22   3.596   0.633   3.727
  196   2HD1  LEU  22          2HD1      LEU  22   2.624   0.371   2.278
  197   3HD1  LEU  22          3HD1      LEU  22   2.215   1.679   3.389
  198   1HD2  LEU  22          1HD2      LEU  22   5.672   1.735   0.963
  199   2HD2  LEU  22          2HD2      LEU  22   4.153   1.342   0.165
  200   3HD2  LEU  22          3HD2      LEU  22   4.803   0.264   1.395
  201    HA   PRO  23           HA       PRO  23   0.919   5.119  -2.370
  202   1HB   PRO  23          2HB       PRO  23  -0.359   2.854  -3.171
  203   2HB   PRO  23          1HB       PRO  23   1.175   3.406  -3.830
  204   1HG   PRO  23          2HG       PRO  23   0.636   1.099  -2.167
  205   2HG   PRO  23          1HG       PRO  23   2.116   1.519  -3.044
  206   1HD   PRO  23          2HD       PRO  23   1.493   1.876  -0.225
  207   2HD   PRO  23          1HD       PRO  23   3.028   2.050  -1.050
  208    H    GLN  24           H        GLN  24   0.207   2.978   0.243
  209    HA   GLN  24           HA       GLN  24  -2.525   2.894   0.365
  210   1HB   GLN  24          2HB       GLN  24  -2.226   2.858   2.873
  211   2HB   GLN  24          1HB       GLN  24  -1.260   1.685   1.989
  212   1HG   GLN  24          2HG       GLN  24   0.362   2.454   3.341
  213   2HG   GLN  24          1HG       GLN  24   0.503   3.686   2.088
  214   1HE2  GLN  24          1HE2      GLN  24   1.190   5.356   3.318
  215   2HE2  GLN  24          2HE2      GLN  24   0.264   6.071   4.589
  216    H    LEU  25           H        LEU  25  -0.455   5.616   0.711
  217    HA   LEU  25           HA       LEU  25  -2.365   7.184   2.165
  218   1HB   LEU  25          2HB       LEU  25  -0.850   9.110   1.029
  219   2HB   LEU  25          1HB       LEU  25  -0.442   8.281   2.515
  220    HG   LEU  25           HG       LEU  25   0.893   6.655   1.058
  221   1HD1  LEU  25          1HD1      LEU  25   0.481   6.921  -1.134
  222   2HD1  LEU  25          2HD1      LEU  25   1.677   8.210  -1.011
  223   3HD1  LEU  25          3HD1      LEU  25  -0.043   8.594  -0.940
  224   1HD2  LEU  25          1HD2      LEU  25   1.540   9.041   2.302
  225   2HD2  LEU  25          2HD2      LEU  25   2.289   9.168   0.711
  226   3HD2  LEU  25          3HD2      LEU  25   2.666   7.799   1.755
  227    H    VAL  26           H        VAL  26  -1.515   7.023  -1.246
  228    HA   VAL  26           HA       VAL  26  -3.640   8.867  -1.943
  229    HB   VAL  26           HB       VAL  26  -3.055   7.633  -4.305
  230   1HG1  VAL  26          1HG1      VAL  26  -3.091   9.938  -4.305
  231   2HG1  VAL  26          2HG1      VAL  26  -1.378   9.604  -4.565
  232   3HG1  VAL  26          3HG1      VAL  26  -1.954  10.061  -2.962
  233   1HG2  VAL  26          1HG2      VAL  26  -1.291   6.273  -3.205
  234   2HG2  VAL  26          2HG2      VAL  26  -0.430   7.764  -2.831
  235   3HG2  VAL  26          3HG2      VAL  26  -0.686   7.294  -4.510
  236    H    CYS  27           H        CYS  27  -2.960   5.498  -1.837
  237    HA   CYS  27           HA       CYS  27  -5.187   4.478  -3.153
  238   1HB   CYS  27          2HB       CYS  27  -3.853   2.735  -2.764
  239   2HB   CYS  27          1HB       CYS  27  -3.063   3.510  -1.421
  240    H    ARG  28           H        ARG  28  -4.585   5.210   0.241
  241    HA   ARG  28           HA       ARG  28  -7.073   4.309   1.069
  242   1HB   ARG  28          2HB       ARG  28  -5.054   6.127   2.310
  243   2HB   ARG  28          1HB       ARG  28  -6.635   5.957   3.058
  244   1HG   ARG  28          2HG       ARG  28  -6.283   3.770   3.644
  245   2HG   ARG  28          1HG       ARG  28  -5.126   3.487   2.351
  246   1HD   ARG  28          2HD       ARG  28  -4.372   3.706   4.877
  247   2HD   ARG  28          1HD       ARG  28  -3.373   4.316   3.560
  248    HE   ARG  28           HE       ARG  28  -3.732   6.444   4.324
  249   1HH1  ARG  28          1HH1      ARG  28  -6.080   4.311   5.780
  250   2HH1  ARG  28          2HH1      ARG  28  -6.691   5.518   6.861
  251   1HH2  ARG  28          1HH2      ARG  28  -4.535   8.033   5.741
  252   2HH2  ARG  28          2HH2      ARG  28  -5.816   7.633   6.837
  253    H    LEU  29           H        LEU  29  -6.001   7.367  -0.201
  254    HA   LEU  29           HA       LEU  29  -8.234   8.942   0.414
  255   1HB   LEU  29          2HB       LEU  29  -6.397   8.979  -1.975
  256   2HB   LEU  29          1HB       LEU  29  -7.656  10.171  -1.729
  257    HG   LEU  29           HG       LEU  29  -5.510   9.697   0.324
  258   1HD1  LEU  29          1HD1      LEU  29  -4.858  10.437  -2.174
  259   2HD1  LEU  29          2HD1      LEU  29  -4.022  11.022  -0.735
  260   3HD1  LEU  29          3HD1      LEU  29  -5.272  12.009  -1.492
  261   1HD2  LEU  29          1HD2      LEU  29  -7.001  11.010   1.399
  262   2HD2  LEU  29          2HD2      LEU  29  -7.717  11.610  -0.097
  263   3HD2  LEU  29          3HD2      LEU  29  -6.197  12.288   0.489
  264    H    VAL  30           H        VAL  30  -7.681   6.482  -1.963
  265    HA   VAL  30           HA       VAL  30 -10.211   6.918  -3.309
  266    HB   VAL  30           HB       VAL  30  -7.886   5.098  -3.720
  267   1HG1  VAL  30          1HG1      VAL  30  -9.555   3.432  -3.789
  268   2HG1  VAL  30          2HG1      VAL  30  -9.256   3.869  -5.472
  269   3HG1  VAL  30          3HG1      VAL  30 -10.684   4.487  -4.641
  270   1HG2  VAL  30          1HG2      VAL  30  -7.660   6.197  -5.676
  271   2HG2  VAL  30          2HG2      VAL  30  -8.651   7.412  -4.868
  272   3HG2  VAL  30          3HG2      VAL  30  -9.398   6.253  -5.967
  273    H    LEU  31           H        LEU  31  -8.897   4.950  -0.783
  274    HA   LEU  31           HA       LEU  31 -10.673   2.829  -0.707
  275   1HB   LEU  31          2HB       LEU  31  -9.210   2.392   0.930
  276   2HB   LEU  31          1HB       LEU  31  -8.819   4.085   1.128
  277    HG   LEU  31           HG       LEU  31 -11.354   3.041   2.320
  278   1HD1  LEU  31          1HD1      LEU  31 -10.172   1.492   3.436
  279   2HD1  LEU  31          2HD1      LEU  31  -9.633   2.867   4.400
  280   3HD1  LEU  31          3HD1      LEU  31  -8.626   2.265   3.083
  281   1HD2  LEU  31          1HD2      LEU  31 -11.273   4.919   3.605
  282   2HD2  LEU  31          2HD2      LEU  31 -10.372   5.508   2.208
  283   3HD2  LEU  31          3HD2      LEU  31  -9.510   4.951   3.641
  284    H    ARG  32           H        ARG  32 -11.093   6.139   0.234
  285    HA   ARG  32           HA       ARG  32 -13.382   5.977   1.805
  286   1HB   ARG  32          2HB       ARG  32 -12.351   8.104   1.628
  287   2HB   ARG  32          1HB       ARG  32 -12.406   8.072  -0.128
  288   1HG   ARG  32          2HG       ARG  32 -14.926   8.126   1.490
  289   2HG   ARG  32          1HG       ARG  32 -14.034   9.606   1.128
  290   1HD   ARG  32          2HD       ARG  32 -14.147   8.410  -1.319
  291   2HD   ARG  32          1HD       ARG  32 -15.683   7.917  -0.613
  292    HE   ARG  32           HE       ARG  32 -14.915  10.563  -1.438
  293   1HH1  ARG  32          1HH1      ARG  32 -17.060   8.691   0.581
  294   2HH1  ARG  32          2HH1      ARG  32 -18.268   9.930   0.661
  295   1HH2  ARG  32          1HH2      ARG  32 -16.503  12.195  -1.331
  296   2HH2  ARG  32          2HH2      ARG  32 -17.953  11.918  -0.423
  297    H    CYS  33           H        CYS  33 -12.949   5.934  -1.637
  298    HA   CYS  33           HA       CYS  33 -14.802   6.157  -3.208
  299   1HB   CYS  33          2HB       CYS  33 -13.515   4.393  -3.924
  300   2HB   CYS  33          1HB       CYS  33 -13.753   3.474  -2.445
  301    H    SER  34           H        SER  34 -16.849   6.758  -2.954
  302    HA   SER  34           HA       SER  34 -18.906   4.961  -2.365
  303   1HB   SER  34          2HB       SER  34 -18.347   4.963  -0.073
  304   2HB   SER  34          1HB       SER  34 -18.023   6.696  -0.063
  305    HG   SER  34           HG       SER  34 -20.173   7.106  -0.118
  Start of MODEL    6
    1   1H    CYS   1          1HT       CYS   1 -14.713  -3.147  -2.750
    2   2H    CYS   1          2HT       CYS   1 -15.932  -2.409  -3.707
    3   3H    CYS   1          3HT       CYS   1 -15.910  -2.169  -2.009
    4    HA   CYS   1           HA       CYS   1 -13.768  -1.322  -3.837
    5   1HB   CYS   1          2HB       CYS   1 -16.317  -0.314  -3.762
    6   2HB   CYS   1          1HB       CYS   1 -15.499   0.701  -2.578
    7    H    TRP   2           H        TRP   2 -13.081  -2.704  -1.613
    8    HA   TRP   2           HA       TRP   2 -11.913  -0.606   0.031
    9   1HB   TRP   2          2HB       TRP   2 -12.538  -2.294   2.047
   10   2HB   TRP   2          1HB       TRP   2 -13.513  -0.897   1.611
   11    HD1  TRP   2           HD       TRP   2 -13.402  -4.504   0.143
   12    HE1  TRP   2           1HE      TRP   2 -15.816  -5.394   0.079
   13    HE3  TRP   2           3HE      TRP   2 -15.803  -0.491   2.216
   14    HZ2  TRP   2           2HZ      TRP   2 -18.395  -4.512   0.810
   15    HZ3  TRP   2           3HZ      TRP   2 -18.244  -0.594   2.498
   16    HH2  TRP   2           HH       TRP   2 -19.514  -2.562   1.809
   17    H    LEU   3           H        LEU   3 -10.651  -2.194  -1.853
   18    HA   LEU   3           HA       LEU   3  -9.273  -4.317  -0.408
   19   1HB   LEU   3          2HB       LEU   3  -8.161  -3.664  -3.015
   20   2HB   LEU   3          1HB       LEU   3  -8.768  -5.190  -2.408
   21    HG   LEU   3           HG       LEU   3 -10.579  -3.018  -3.449
   22   1HD1  LEU   3          1HD1      LEU   3  -8.930  -4.988  -4.884
   23   2HD1  LEU   3          2HD1      LEU   3  -9.594  -3.447  -5.426
   24   3HD1  LEU   3          3HD1      LEU   3 -10.618  -4.883  -5.385
   25   1HD2  LEU   3          1HD2      LEU   3 -11.898  -5.284  -3.844
   26   2HD2  LEU   3          2HD2      LEU   3 -11.973  -4.408  -2.316
   27   3HD2  LEU   3          3HD2      LEU   3 -10.903  -5.800  -2.482
   28    H    CYS   4           H        CYS   4  -9.037  -1.084  -0.488
   29    HA   CYS   4           HA       CYS   4  -6.619  -0.142  -1.077
   30   1HB   CYS   4          2HB       CYS   4  -8.712   0.605   0.572
   31   2HB   CYS   4          1HB       CYS   4  -7.322   0.628   1.647
   32    H    ARG   5           H        ARG   5  -6.916  -0.879   2.378
   33    HA   ARG   5           HA       ARG   5  -4.297  -1.171   2.995
   34   1HB   ARG   5          2HB       ARG   5  -5.125  -2.946   4.724
   35   2HB   ARG   5          1HB       ARG   5  -5.675  -1.282   4.837
   36   1HG   ARG   5          2HG       ARG   5  -7.621  -2.460   5.151
   37   2HG   ARG   5          1HG       ARG   5  -7.689  -2.107   3.427
   38   1HD   ARG   5          2HD       ARG   5  -6.415  -4.443   3.301
   39   2HD   ARG   5          1HD       ARG   5  -7.255  -4.687   4.832
   40    HE   ARG   5           HE       ARG   5  -8.933  -3.733   2.690
   41   1HH1  ARG   5          1HH1      ARG   5  -7.633  -6.562   4.280
   42   2HH1  ARG   5          2HH1      ARG   5  -8.906  -7.600   3.731
   43   1HH2  ARG   5          1HH2      ARG   5 -10.601  -5.105   1.976
   44   2HH2  ARG   5          2HH2      ARG   5 -10.588  -6.777   2.427
   45    H    ALA   6           H        ALA   6  -6.206  -3.468   1.207
   46    HA   ALA   6           HA       ALA   6  -4.496  -5.707   1.533
   47   1HB   ALA   6          1HB       ALA   6  -6.188  -5.421  -0.897
   48   2HB   ALA   6          2HB       ALA   6  -6.971  -5.527   0.680
   49   3HB   ALA   6          3HB       ALA   6  -5.911  -6.826   0.132
   50    H    LEU   7           H        LEU   7  -4.583  -3.078  -0.836
   51    HA   LEU   7           HA       LEU   7  -2.677  -4.312  -2.573
   52   1HB   LEU   7          2HB       LEU   7  -3.260  -2.693  -3.987
   53   2HB   LEU   7          1HB       LEU   7  -4.434  -2.188  -2.788
   54    HG   LEU   7           HG       LEU   7  -1.655  -1.079  -2.632
   55   1HD1  LEU   7          1HD1      LEU   7  -3.731   0.201  -4.371
   56   2HD1  LEU   7          2HD1      LEU   7  -2.555  -0.939  -5.029
   57   3HD1  LEU   7          3HD1      LEU   7  -2.006   0.547  -4.254
   58   1HD2  LEU   7          1HD2      LEU   7  -2.906   0.881  -1.810
   59   2HD2  LEU   7          2HD2      LEU   7  -3.198  -0.572  -0.853
   60   3HD2  LEU   7          3HD2      LEU   7  -4.407  -0.023  -2.009
   61    H    ILE   8           H        ILE   8  -2.538  -2.056   0.112
   62    HA   ILE   8           HA       ILE   8   0.145  -1.293  -0.291
   63    HB   ILE   8           HB       ILE   8   0.098  -0.458   2.009
   64   1HG1  ILE   8          2HG1      ILE   8  -2.689  -1.601   2.171
   65   2HG1  ILE   8          1HG1      ILE   8  -1.290  -2.370   2.904
   66   1HG2  ILE   8          1HG2      ILE   8  -1.602   0.308  -0.129
   67   2HG2  ILE   8          2HG2      ILE   8  -0.901   1.304   1.136
   68   3HG2  ILE   8          3HG2      ILE   8  -2.479   0.565   1.380
   69   1HD1  ILE   8          1HD1      ILE   8  -2.023  -1.226   4.702
   70   2HD1  ILE   8          2HD1      ILE   8  -2.794   0.026   3.728
   71   3HD1  ILE   8          3HD1      ILE   8  -1.050   0.056   3.980
   72    H    LYS   9           H        LYS   9  -1.399  -4.007   1.111
   73    HA   LYS   9           HA       LYS   9   0.801  -4.922   2.639
   74   1HB   LYS   9          2HB       LYS   9  -1.732  -5.546   2.638
   75   2HB   LYS   9          1HB       LYS   9  -1.205  -6.806   1.543
   76   1HG   LYS   9          2HG       LYS   9  -0.743  -8.007   3.342
   77   2HG   LYS   9          1HG       LYS   9   0.615  -6.917   3.603
   78   1HD   LYS   9          2HD       LYS   9  -2.142  -6.756   4.818
   79   2HD   LYS   9          1HD       LYS   9  -0.604  -6.991   5.650
   80   1HE   LYS   9          2HE       LYS   9  -0.235  -4.613   4.287
   81   2HE   LYS   9          1HE       LYS   9  -1.918  -4.523   4.803
   82   1HZ   LYS   9          1HZ       LYS   9   0.111  -3.794   6.339
   83   2HZ   LYS   9          2HZ       LYS   9   0.001  -5.419   6.801
   84   3HZ   LYS   9          3HZ       LYS   9  -1.339  -4.401   6.963
   85    H    ARG  10           H        ARG  10  -0.432  -5.626  -0.570
   86    HA   ARG  10           HA       ARG  10   1.392  -7.628  -1.250
   87   1HB   ARG  10          2HB       ARG  10   0.281  -5.507  -3.105
   88   2HB   ARG  10          1HB       ARG  10   0.909  -7.078  -3.576
   89   1HG   ARG  10          2HG       ARG  10  -1.572  -6.554  -1.963
   90   2HG   ARG  10          1HG       ARG  10  -1.493  -7.101  -3.639
   91   1HD   ARG  10          2HD       ARG  10  -1.891  -9.043  -2.391
   92   2HD   ARG  10          1HD       ARG  10  -0.171  -9.080  -2.759
   93    HE   ARG  10           HE       ARG  10  -0.915  -7.935  -0.202
   94   1HH1  ARG  10          1HH1      ARG  10   0.211 -10.735  -1.960
   95   2HH1  ARG  10          2HH1      ARG  10   0.837 -11.520  -0.550
   96   1HH2  ARG  10          1HH2      ARG  10  -0.094  -8.964   1.648
   97   2HH2  ARG  10          2HH2      ARG  10   0.662 -10.517   1.502
   98    H    ILE  11           H        ILE  11   1.560  -4.212  -0.964
   99    HA   ILE  11           HA       ILE  11   3.966  -3.714  -2.304
  100    HB   ILE  11           HB       ILE  11   2.162  -2.232  -0.648
  101   1HG1  ILE  11          2HG1      ILE  11   3.375  -0.296  -1.786
  102   2HG1  ILE  11          1HG1      ILE  11   4.379  -1.518  -2.559
  103   1HG2  ILE  11          1HG2      ILE  11   3.767  -2.389   1.135
  104   2HG2  ILE  11          2HG2      ILE  11   3.770  -0.745   0.495
  105   3HG2  ILE  11          3HG2      ILE  11   5.065  -1.864   0.062
  106   1HD1  ILE  11          1HD1      ILE  11   2.478  -0.705  -3.938
  107   2HD1  ILE  11          2HD1      ILE  11   1.381  -1.440  -2.769
  108   3HD1  ILE  11          3HD1      ILE  11   2.499  -2.450  -3.687
  109    H    GLN  12           H        GLN  12   3.200  -4.595   1.084
  110    HA   GLN  12           HA       GLN  12   5.871  -4.445   1.992
  111   1HB   GLN  12          2HB       GLN  12   5.174  -5.575   3.933
  112   2HB   GLN  12          1HB       GLN  12   3.739  -4.711   3.405
  113   1HG   GLN  12          2HG       GLN  12   2.589  -6.593   3.319
  114   2HG   GLN  12          1HG       GLN  12   3.760  -7.306   2.213
  115   1HE2  GLN  12          1HE2      GLN  12   5.861  -7.965   3.371
  116   2HE2  GLN  12          2HE2      GLN  12   5.652  -8.854   4.839
  117    H    ALA  13           H        ALA  13   4.250  -6.670  -0.029
  118    HA   ALA  13           HA       ALA  13   6.012  -8.870   0.349
  119   1HB   ALA  13          1HB       ALA  13   4.864  -9.928  -1.370
  120   2HB   ALA  13          2HB       ALA  13   4.498  -8.408  -2.189
  121   3HB   ALA  13          3HB       ALA  13   3.641  -8.843  -0.710
  122    H    MET  14           H        MET  14   5.922  -6.012  -1.606
  123    HA   MET  14           HA       MET  14   7.939  -6.714  -3.439
  124   1HB   MET  14          2HB       MET  14   7.850  -4.539  -4.215
  125   2HB   MET  14          1HB       MET  14   6.266  -4.710  -3.481
  126   1HG   MET  14          2HG       MET  14   6.639  -3.001  -2.130
  127   2HG   MET  14          1HG       MET  14   8.145  -3.696  -1.555
  128   1HE   MET  14          1HE       MET  14   7.539  -0.047  -2.740
  129   2HE   MET  14          2HE       MET  14   9.165  -0.221  -2.079
  130   3HE   MET  14          3HE       MET  14   7.812  -1.058  -1.319
  131    H    ILE  15           H        ILE  15   8.036  -5.231  -0.229
  132    HA   ILE  15           HA       ILE  15  10.446  -6.273   0.541
  133    HB   ILE  15           HB       ILE  15  11.851  -4.067   0.457
  134   1HG1  ILE  15          2HG1      ILE  15  11.616  -3.034  -1.849
  135   2HG1  ILE  15          1HG1      ILE  15  10.038  -3.800  -1.945
  136   1HG2  ILE  15          1HG2      ILE  15  11.812  -6.488  -0.937
  137   2HG2  ILE  15          2HG2      ILE  15  13.180  -5.410  -0.662
  138   3HG2  ILE  15          3HG2      ILE  15  12.203  -5.240  -2.119
  139   1HD1  ILE  15          1HD1      ILE  15   9.095  -2.311  -0.563
  140   2HD1  ILE  15          2HD1      ILE  15  10.475  -1.310  -1.013
  141   3HD1  ILE  15          3HD1      ILE  15  10.508  -2.236   0.488
  142    HA   PRO  16           HA       PRO  16   9.087  -4.069   4.172
  143   1HB   PRO  16          2HB       PRO  16  10.551  -5.386   5.959
  144   2HB   PRO  16          1HB       PRO  16   9.259  -6.207   5.075
  145   1HG   PRO  16          2HG       PRO  16  12.211  -6.344   4.681
  146   2HG   PRO  16          1HG       PRO  16  10.990  -7.614   4.489
  147   1HD   PRO  16          2HD       PRO  16  12.130  -6.059   2.435
  148   2HD   PRO  16          1HD       PRO  16  10.704  -7.105   2.297
  149    H    LYS  17           H        LYS  17  12.579  -4.632   3.693
  150    HA   LYS  17           HA       LYS  17  13.438  -2.552   5.406
  151   1HB   LYS  17          2HB       LYS  17  14.691  -4.645   4.328
  152   2HB   LYS  17          1HB       LYS  17  15.154  -3.432   3.142
  153   1HG   LYS  17          2HG       LYS  17  16.154  -2.071   4.872
  154   2HG   LYS  17          1HG       LYS  17  15.624  -3.216   6.107
  155   1HD   LYS  17          2HD       LYS  17  17.025  -4.946   5.134
  156   2HD   LYS  17          1HD       LYS  17  17.513  -3.849   3.841
  157   1HE   LYS  17          2HE       LYS  17  19.266  -3.414   5.171
  158   2HE   LYS  17          1HE       LYS  17  18.130  -2.382   6.039
  159   1HZ   LYS  17          1HZ       LYS  17  18.088  -5.156   6.848
  160   2HZ   LYS  17          2HZ       LYS  17  18.109  -3.752   7.791
  161   3HZ   LYS  17          3HZ       LYS  17  19.553  -4.365   7.158
  162    H    GLY  18           H        GLY  18  12.552  -2.707   2.055
  163   1HA   GLY  18          2HA       GLY  18  13.727  -0.335   1.127
  164   2HA   GLY  18          1HA       GLY  18  12.278  -1.078   0.461
  165    H    GLY  19           H        GLY  19  13.100   1.799   1.134
  166   1HA   GLY  19          2HA       GLY  19  10.524   2.477   2.340
  167   2HA   GLY  19          1HA       GLY  19  11.966   3.061   3.151
  168    H    ARG  20           H        ARG  20   9.770   4.551   1.945
  169    HA   ARG  20           HA       ARG  20  11.107   6.699   0.858
  170   1HB   ARG  20          2HB       ARG  20  10.506   4.604  -1.119
  171   2HB   ARG  20          1HB       ARG  20   9.937   6.202  -1.577
  172   1HG   ARG  20          2HG       ARG  20  12.467   6.752  -0.742
  173   2HG   ARG  20          1HG       ARG  20  12.660   5.138  -1.431
  174   1HD   ARG  20          2HD       ARG  20  11.779   5.848  -3.530
  175   2HD   ARG  20          1HD       ARG  20  11.291   7.405  -2.862
  176    HE   ARG  20           HE       ARG  20  13.414   8.164  -3.210
  177   1HH1  ARG  20          1HH1      ARG  20  13.473   4.674  -3.257
  178   2HH1  ARG  20          2HH1      ARG  20  15.132   4.586  -3.745
  179   1HH2  ARG  20          1HH2      ARG  20  15.598   8.047  -3.850
  180   2HH2  ARG  20          2HH2      ARG  20  16.337   6.498  -4.080
  181    H    MET  21           H        MET  21   8.201   4.763   0.802
  182    HA   MET  21           HA       MET  21   6.433   6.404   1.999
  183   1HB   MET  21          2HB       MET  21   6.508   8.218   0.541
  184   2HB   MET  21          1HB       MET  21   6.797   7.208  -0.868
  185   1HG   MET  21          2HG       MET  21   4.475   6.476  -0.845
  186   2HG   MET  21          1HG       MET  21   4.165   7.445   0.592
  187   1HE   MET  21          1HE       MET  21   5.933  10.482  -0.820
  188   2HE   MET  21          2HE       MET  21   5.174   9.807   0.621
  189   3HE   MET  21          3HE       MET  21   4.293  10.957  -0.384
  190    H    LEU  22           H        LEU  22   4.083   5.816   1.459
  191    HA   LEU  22           HA       LEU  22   4.014   3.175   0.205
  192   1HB   LEU  22          2HB       LEU  22   2.883   4.161   2.764
  193   2HB   LEU  22          1HB       LEU  22   1.939   3.029   1.814
  194    HG   LEU  22           HG       LEU  22   4.649   2.082   2.065
  195   1HD1  LEU  22          1HD1      LEU  22   4.065   3.554   4.250
  196   2HD1  LEU  22          2HD1      LEU  22   5.097   2.124   4.269
  197   3HD1  LEU  22          3HD1      LEU  22   3.399   1.991   4.726
  198   1HD2  LEU  22          1HD2      LEU  22   2.782   0.665   1.477
  199   2HD2  LEU  22          2HD2      LEU  22   1.986   1.027   3.009
  200   3HD2  LEU  22          3HD2      LEU  22   3.493   0.109   2.994
  201    HA   PRO  23           HA       PRO  23   0.470   4.569  -2.007
  202   1HB   PRO  23          2HB       PRO  23  -0.741   2.143  -2.351
  203   2HB   PRO  23          1HB       PRO  23   0.697   2.677  -3.211
  204   1HG   PRO  23          2HG       PRO  23   0.459   0.583  -1.260
  205   2HG   PRO  23          1HG       PRO  23   1.877   1.047  -2.211
  206   1HD   PRO  23          2HD       PRO  23   1.190   1.736   0.558
  207   2HD   PRO  23          1HD       PRO  23   2.736   1.813  -0.257
  208    H    GLN  24           H        GLN  24  -0.055   2.909   0.969
  209    HA   GLN  24           HA       GLN  24  -2.828   2.802   1.063
  210   1HB   GLN  24          2HB       GLN  24  -2.281   3.274   3.671
  211   2HB   GLN  24          1HB       GLN  24  -2.169   1.700   2.910
  212   1HG   GLN  24          2HG       GLN  24  -0.232   2.163   4.291
  213   2HG   GLN  24          1HG       GLN  24   0.224   2.006   2.594
  214   1HE2  GLN  24          1HE2      GLN  24   0.605   3.791   5.337
  215   2HE2  GLN  24          2HE2      GLN  24   1.206   5.253   4.641
  216    H    LEU  25           H        LEU  25  -0.842   5.542   0.968
  217    HA   LEU  25           HA       LEU  25  -2.834   7.163   2.345
  218   1HB   LEU  25          2HB       LEU  25  -0.455   8.153   0.786
  219   2HB   LEU  25          1HB       LEU  25  -1.448   9.075   1.891
  220    HG   LEU  25           HG       LEU  25   0.233   8.708   3.313
  221   1HD1  LEU  25          1HD1      LEU  25  -0.032   6.744   4.726
  222   2HD1  LEU  25          2HD1      LEU  25  -1.036   5.984   3.493
  223   3HD1  LEU  25          3HD1      LEU  25  -1.595   7.444   4.307
  224   1HD2  LEU  25          1HD2      LEU  25   0.962   6.553   1.428
  225   2HD2  LEU  25          2HD2      LEU  25   1.591   6.438   3.071
  226   3HD2  LEU  25          3HD2      LEU  25   1.939   7.861   2.092
  227    H    VAL  26           H        VAL  26  -1.695   6.715  -0.935
  228    HA   VAL  26           HA       VAL  26  -3.668   8.532  -2.031
  229    HB   VAL  26           HB       VAL  26  -2.988   6.999  -4.170
  230   1HG1  VAL  26          1HG1      VAL  26  -2.717   9.176  -4.632
  231   2HG1  VAL  26          2HG1      VAL  26  -1.020   8.844  -4.283
  232   3HG1  VAL  26          3HG1      VAL  26  -2.056   9.542  -3.038
  233   1HG2  VAL  26          1HG2      VAL  26  -1.436   5.612  -2.898
  234   2HG2  VAL  26          2HG2      VAL  26  -0.530   7.049  -2.420
  235   3HG2  VAL  26          3HG2      VAL  26  -0.585   6.564  -4.115
  236    H    CYS  27           H        CYS  27  -3.211   5.228  -1.336
  237    HA   CYS  27           HA       CYS  27  -5.280   4.015  -2.706
  238   1HB   CYS  27          2HB       CYS  27  -4.304   2.285  -1.718
  239   2HB   CYS  27          1HB       CYS  27  -3.369   3.357  -0.726
  240    H    ARG  28           H        ARG  28  -5.145   5.129   0.627
  241    HA   ARG  28           HA       ARG  28  -7.783   4.657   1.220
  242   1HB   ARG  28          2HB       ARG  28  -5.885   6.711   2.317
  243   2HB   ARG  28          1HB       ARG  28  -7.486   6.442   2.991
  244   1HG   ARG  28          2HG       ARG  28  -6.930   4.309   3.767
  245   2HG   ARG  28          1HG       ARG  28  -5.524   4.164   2.724
  246   1HD   ARG  28          2HD       ARG  28  -4.943   6.421   4.164
  247   2HD   ARG  28          1HD       ARG  28  -5.835   5.474   5.349
  248    HE   ARG  28           HE       ARG  28  -3.199   4.953   4.308
  249   1HH1  ARG  28          1HH1      ARG  28  -6.013   3.544   5.832
  250   2HH1  ARG  28          2HH1      ARG  28  -5.115   2.304   6.641
  251   1HH2  ARG  28          1HH2      ARG  28  -2.009   3.332   5.423
  252   2HH2  ARG  28          2HH2      ARG  28  -2.852   2.181   6.402
  253    H    LEU  29           H        LEU  29  -6.308   7.393  -0.397
  254    HA   LEU  29           HA       LEU  29  -8.519   9.134  -0.376
  255   1HB   LEU  29          2HB       LEU  29  -6.406   8.751  -2.501
  256   2HB   LEU  29          1HB       LEU  29  -7.564  10.065  -2.490
  257    HG   LEU  29           HG       LEU  29  -5.647   9.616  -0.213
  258   1HD1  LEU  29          1HD1      LEU  29  -4.746  10.088  -2.704
  259   2HD1  LEU  29          2HD1      LEU  29  -3.972  10.717  -1.248
  260   3HD1  LEU  29          3HD1      LEU  29  -5.071  11.739  -2.176
  261   1HD2  LEU  29          1HD2      LEU  29  -7.086  11.135   0.628
  262   2HD2  LEU  29          2HD2      LEU  29  -7.668  11.626  -0.962
  263   3HD2  LEU  29          3HD2      LEU  29  -6.144  12.265  -0.345
  264    H    VAL  30           H        VAL  30  -7.777   6.272  -2.153
  265    HA   VAL  30           HA       VAL  30  -9.964   6.540  -4.022
  266    HB   VAL  30           HB       VAL  30  -7.674   4.760  -3.692
  267   1HG1  VAL  30          1HG1      VAL  30  -8.736   2.801  -4.798
  268   2HG1  VAL  30          2HG1      VAL  30 -10.310   3.536  -4.491
  269   3HG1  VAL  30          3HG1      VAL  30  -9.279   3.063  -3.141
  270   1HG2  VAL  30          1HG2      VAL  30  -7.535   5.899  -5.646
  271   2HG2  VAL  30          2HG2      VAL  30  -9.285   5.956  -5.864
  272   3HG2  VAL  30          3HG2      VAL  30  -8.398   4.481  -6.244
  273    H    LEU  31           H        LEU  31  -9.321   5.052  -0.949
  274    HA   LEU  31           HA       LEU  31 -11.325   3.151  -0.788
  275   1HB   LEU  31          2HB       LEU  31 -10.188   2.960   1.132
  276   2HB   LEU  31          1HB       LEU  31  -9.673   4.632   1.086
  277    HG   LEU  31           HG       LEU  31 -12.441   3.905   1.985
  278   1HD1  LEU  31          1HD1      LEU  31 -11.488   2.708   3.627
  279   2HD1  LEU  31          2HD1      LEU  31 -11.127   4.292   4.311
  280   3HD1  LEU  31          3HD1      LEU  31  -9.900   3.433   3.380
  281   1HD2  LEU  31          1HD2      LEU  31 -11.081   6.095   3.302
  282   2HD2  LEU  31          2HD2      LEU  31 -12.628   6.072   2.456
  283   3HD2  LEU  31          3HD2      LEU  31 -11.134   6.315   1.554
  284    H    ARG  32           H        ARG  32 -11.491   6.608  -0.539
  285    HA   ARG  32           HA       ARG  32 -14.051   6.916   0.549
  286   1HB   ARG  32          2HB       ARG  32 -12.813   8.894   0.367
  287   2HB   ARG  32          1HB       ARG  32 -12.380   8.580  -1.306
  288   1HG   ARG  32          2HG       ARG  32 -13.960  10.446  -1.050
  289   2HG   ARG  32          1HG       ARG  32 -14.606   9.138  -2.040
  290   1HD   ARG  32          2HD       ARG  32 -15.426   8.457   0.497
  291   2HD   ARG  32          1HD       ARG  32 -15.544  10.215   0.507
  292    HE   ARG  32           HE       ARG  32 -16.737   8.961  -1.798
  293   1HH1  ARG  32          1HH1      ARG  32 -17.238  10.017   1.491
  294   2HH1  ARG  32          2HH1      ARG  32 -18.952  10.177   1.314
  295   1HH2  ARG  32          1HH2      ARG  32 -19.005   9.177  -2.032
  296   2HH2  ARG  32          2HH2      ARG  32 -19.956   9.699  -0.681
  297    H    CYS  33           H        CYS  33 -13.044   5.716  -2.483
  298    HA   CYS  33           HA       CYS  33 -14.539   6.058  -4.499
  299   1HB   CYS  33          2HB       CYS  33 -13.574   4.036  -4.766
  300   2HB   CYS  33          1HB       CYS  33 -13.886   3.551  -3.106
  301    H    SER  34           H        SER  34 -16.149   4.140  -1.945
  302    HA   SER  34           HA       SER  34 -18.723   4.361  -3.003
  303   1HB   SER  34          2HB       SER  34 -18.309   2.703  -1.331
  304   2HB   SER  34          1HB       SER  34 -17.780   3.916  -0.166
  305    HG   SER  34           HG       SER  34 -20.401   3.805  -1.250
  Start of MODEL    7
    1   1H    CYS   1          1HT       CYS   1 -14.057  -0.469  -2.963
    2   2H    CYS   1          2HT       CYS   1 -15.533   0.318  -3.348
    3   3H    CYS   1          3HT       CYS   1 -15.405  -0.616  -1.914
    4    HA   CYS   1           HA       CYS   1 -13.718   1.722  -2.436
    5   1HB   CYS   1          2HB       CYS   1 -16.055   2.418  -2.598
    6   2HB   CYS   1          1HB       CYS   1 -16.432   1.584  -1.095
    7    H    TRP   2           H        TRP   2 -12.792  -0.652  -1.367
    8    HA   TRP   2           HA       TRP   2 -11.711   0.170   1.073
    9   1HB   TRP   2          2HB       TRP   2 -12.825  -1.562   2.568
   10   2HB   TRP   2          1HB       TRP   2 -13.784  -0.144   2.155
   11    HD1  TRP   2           HD       TRP   2 -13.311  -3.481   0.213
   12    HE1  TRP   2           1HE      TRP   2 -15.650  -4.436  -0.282
   13    HE3  TRP   2           3HE      TRP   2 -16.151   0.048   2.585
   14    HZ2  TRP   2           2HZ      TRP   2 -18.341  -3.781   0.263
   15    HZ3  TRP   2           3HZ      TRP   2 -18.599  -0.189   2.551
   16    HH2  TRP   2           HH       TRP   2 -19.670  -2.065   1.412
   17    H    LEU   3           H        LEU   3 -11.403  -1.526  -1.538
   18    HA   LEU   3           HA       LEU   3 -10.239  -3.955  -0.438
   19   1HB   LEU   3          2HB       LEU   3 -10.177  -3.108  -3.320
   20   2HB   LEU   3          1HB       LEU   3 -10.062  -4.728  -2.660
   21    HG   LEU   3           HG       LEU   3 -12.542  -3.007  -2.629
   22   1HD1  LEU   3          1HD1      LEU   3 -11.543  -5.125  -4.470
   23   2HD1  LEU   3          2HD1      LEU   3 -12.411  -3.633  -4.831
   24   3HD1  LEU   3          3HD1      LEU   3 -13.274  -5.012  -4.149
   25   1HD2  LEU   3          1HD2      LEU   3 -12.599  -5.920  -2.099
   26   2HD2  LEU   3          2HD2      LEU   3 -13.616  -4.629  -1.461
   27   3HD2  LEU   3          3HD2      LEU   3 -11.993  -4.873  -0.816
   28    H    CYS   4           H        CYS   4  -9.199  -0.832  -0.835
   29    HA   CYS   4           HA       CYS   4  -6.655  -1.184  -1.985
   30   1HB   CYS   4          2HB       CYS   4  -8.134   0.965  -0.933
   31   2HB   CYS   4          1HB       CYS   4  -6.614   0.932  -0.044
   32    H    ARG   5           H        ARG   5  -7.690  -1.119   1.422
   33    HA   ARG   5           HA       ARG   5  -5.406  -1.289   2.823
   34   1HB   ARG   5          2HB       ARG   5  -6.579  -3.111   4.234
   35   2HB   ARG   5          1HB       ARG   5  -7.355  -1.541   4.091
   36   1HG   ARG   5          2HG       ARG   5  -9.178  -2.468   3.248
   37   2HG   ARG   5          1HG       ARG   5  -8.242  -3.237   1.965
   38   1HD   ARG   5          2HD       ARG   5  -7.787  -5.137   3.347
   39   2HD   ARG   5          1HD       ARG   5  -8.489  -4.344   4.757
   40    HE   ARG   5           HE       ARG   5 -10.545  -4.402   3.008
   41   1HH1  ARG   5          1HH1      ARG   5  -8.361  -6.853   4.192
   42   2HH1  ARG   5          2HH1      ARG   5  -9.511  -8.137   4.025
   43   1HH2  ARG   5          1HH2      ARG   5 -12.060  -6.087   2.790
   44   2HH2  ARG   5          2HH2      ARG   5 -11.613  -7.703   3.229
   45    H    ALA   6           H        ALA   6  -6.755  -3.801   0.786
   46    HA   ALA   6           HA       ALA   6  -4.782  -5.757   1.418
   47   1HB   ALA   6          1HB       ALA   6  -7.188  -5.885   0.201
   48   2HB   ALA   6          2HB       ALA   6  -5.952  -7.135   0.065
   49   3HB   ALA   6          3HB       ALA   6  -6.121  -5.921  -1.202
   50    H    LEU   7           H        LEU   7  -5.342  -3.814  -1.540
   51    HA   LEU   7           HA       LEU   7  -3.077  -4.432  -2.934
   52   1HB   LEU   7          2HB       LEU   7  -4.816  -3.036  -3.878
   53   2HB   LEU   7          1HB       LEU   7  -4.470  -1.762  -2.725
   54    HG   LEU   7           HG       LEU   7  -2.160  -2.533  -4.366
   55   1HD1  LEU   7          1HD1      LEU   7  -4.444  -2.581  -5.783
   56   2HD1  LEU   7          2HD1      LEU   7  -2.897  -2.045  -6.437
   57   3HD1  LEU   7          3HD1      LEU   7  -4.068  -0.860  -5.860
   58   1HD2  LEU   7          1HD2      LEU   7  -3.499   0.040  -3.562
   59   2HD2  LEU   7          2HD2      LEU   7  -2.102  -0.018  -4.637
   60   3HD2  LEU   7          3HD2      LEU   7  -1.971  -0.620  -2.983
   61    H    ILE   8           H        ILE   8  -3.416  -2.352  -0.138
   62    HA   ILE   8           HA       ILE   8  -0.875  -1.237  -0.490
   63    HB   ILE   8           HB       ILE   8  -1.042  -0.206   1.646
   64   1HG1  ILE   8          2HG1      ILE   8  -3.577  -1.418   2.484
   65   2HG1  ILE   8          1HG1      ILE   8  -2.200  -2.511   2.533
   66   1HG2  ILE   8          1HG2      ILE   8  -2.530   0.602  -0.204
   67   2HG2  ILE   8          2HG2      ILE   8  -3.047   1.035   1.422
   68   3HG2  ILE   8          3HG2      ILE   8  -3.848  -0.279   0.568
   69   1HD1  ILE   8          1HD1      ILE   8  -2.947  -0.593   4.427
   70   2HD1  ILE   8          2HD1      ILE   8  -1.467   0.002   3.672
   71   3HD1  ILE   8          3HD1      ILE   8  -1.498  -1.597   4.415
   72    H    LYS   9           H        LYS   9  -2.093  -4.053   1.055
   73    HA   LYS   9           HA       LYS   9   0.129  -4.737   2.591
   74   1HB   LYS   9          2HB       LYS   9  -1.147  -6.509   3.064
   75   2HB   LYS   9          1HB       LYS   9  -2.285  -5.854   1.910
   76   1HG   LYS   9          2HG       LYS   9  -0.209  -7.430   0.622
   77   2HG   LYS   9          1HG       LYS   9  -1.128  -8.348   1.807
   78   1HD   LYS   9          2HD       LYS   9  -2.512  -8.669   0.054
   79   2HD   LYS   9          1HD       LYS   9  -3.144  -7.101   0.555
   80   1HE   LYS   9          2HE       LYS   9  -1.990  -5.960  -1.154
   81   2HE   LYS   9          1HE       LYS   9  -0.901  -7.319  -1.421
   82   1HZ   LYS   9          1HZ       LYS   9  -2.873  -6.868  -3.041
   83   2HZ   LYS   9          2HZ       LYS   9  -3.771  -7.711  -1.883
   84   3HZ   LYS   9          3HZ       LYS   9  -2.453  -8.456  -2.634
   85    H    ARG  10           H        ARG  10  -0.566  -5.078  -0.791
   86    HA   ARG  10           HA       ARG  10   1.641  -6.718  -1.473
   87   1HB   ARG  10          2HB       ARG  10  -0.304  -5.033  -2.939
   88   2HB   ARG  10          1HB       ARG  10   1.251  -5.229  -3.728
   89   1HG   ARG  10          2HG       ARG  10  -0.944  -7.121  -3.382
   90   2HG   ARG  10          1HG       ARG  10   0.265  -7.003  -4.650
   91   1HD   ARG  10          2HD       ARG  10   1.888  -8.142  -3.257
   92   2HD   ARG  10          1HD       ARG  10   0.758  -8.162  -1.906
   93    HE   ARG  10           HE       ARG  10  -0.441  -9.860  -2.938
   94   1HH1  ARG  10          1HH1      ARG  10   2.200  -8.792  -4.969
   95   2HH1  ARG  10          2HH1      ARG  10   2.119 -10.173  -6.008
   96   1HH2  ARG  10          1HH2      ARG  10  -0.540 -11.672  -4.308
   97   2HH2  ARG  10          2HH2      ARG  10   0.566 -11.806  -5.635
   98    H    ILE  11           H        ILE  11   1.093  -3.373  -0.913
   99    HA   ILE  11           HA       ILE  11   3.669  -2.553  -1.895
  100    HB   ILE  11           HB       ILE  11   1.318  -1.206  -0.768
  101   1HG1  ILE  11          2HG1      ILE  11   2.292   0.628  -2.291
  102   2HG1  ILE  11          1HG1      ILE  11   3.480  -0.577  -2.771
  103   1HG2  ILE  11          1HG2      ILE  11   2.759  -0.622   1.028
  104   2HG2  ILE  11          2HG2      ILE  11   2.696   0.782  -0.042
  105   3HG2  ILE  11          3HG2      ILE  11   4.100  -0.288  -0.068
  106   1HD1  ILE  11          1HD1      ILE  11   2.060  -1.447  -4.218
  107   2HD1  ILE  11          2HD1      ILE  11   0.915  -0.167  -3.815
  108   3HD1  ILE  11          3HD1      ILE  11   0.862  -1.703  -2.948
  109    H    GLN  12           H        GLN  12   2.191  -3.475   1.165
  110    HA   GLN  12           HA       GLN  12   4.408  -2.516   2.723
  111   1HB   GLN  12          2HB       GLN  12   3.299  -3.334   4.590
  112   2HB   GLN  12          1HB       GLN  12   1.977  -2.983   3.487
  113   1HG   GLN  12          2HG       GLN  12   1.271  -5.037   3.915
  114   2HG   GLN  12          1HG       GLN  12   2.591  -5.593   2.901
  115   1HE2  GLN  12          1HE2      GLN  12   4.585  -6.195   3.913
  116   2HE2  GLN  12          2HE2      GLN  12   4.583  -6.767   5.544
  117    H    ALA  13           H        ALA  13   3.570  -5.536   1.170
  118    HA   ALA  13           HA       ALA  13   5.804  -6.860   2.424
  119   1HB   ALA  13          1HB       ALA  13   4.792  -8.810   1.967
  120   2HB   ALA  13          2HB       ALA  13   4.374  -8.321   0.325
  121   3HB   ALA  13          3HB       ALA  13   3.380  -7.794   1.683
  122    H    MET  14           H        MET  14   5.126  -5.281  -0.543
  123    HA   MET  14           HA       MET  14   7.175  -6.609  -2.054
  124   1HB   MET  14          2HB       MET  14   5.420  -4.228  -2.525
  125   2HB   MET  14          1HB       MET  14   6.805  -4.514  -3.568
  126   1HG   MET  14          2HG       MET  14   5.133  -6.868  -3.152
  127   2HG   MET  14          1HG       MET  14   4.307  -5.522  -3.931
  128   1HE   MET  14          1HE       MET  14   6.701  -8.652  -5.678
  129   2HE   MET  14          2HE       MET  14   6.401  -8.337  -3.967
  130   3HE   MET  14          3HE       MET  14   7.897  -7.779  -4.718
  131    H    ILE  15           H        ILE  15   6.967  -3.863   0.047
  132    HA   ILE  15           HA       ILE  15   9.202  -2.405  -0.764
  133    HB   ILE  15           HB       ILE  15   7.664  -1.506   0.859
  134   1HG1  ILE  15          2HG1      ILE  15  10.124  -0.832   0.861
  135   2HG1  ILE  15          1HG1      ILE  15   9.197  -0.428   2.300
  136   1HG2  ILE  15          1HG2      ILE  15   8.437  -2.771   3.276
  137   2HG2  ILE  15          2HG2      ILE  15   7.976  -4.023   2.122
  138   3HG2  ILE  15          3HG2      ILE  15   6.850  -2.723   2.509
  139   1HD1  ILE  15          1HD1      ILE  15  10.998  -1.277   3.339
  140   2HD1  ILE  15          2HD1      ILE  15  11.464  -2.268   1.957
  141   3HD1  ILE  15          3HD1      ILE  15  10.186  -2.813   3.042
  142    HA   PRO  16           HA       PRO  16  12.198  -5.554   0.482
  143   1HB   PRO  16          2HB       PRO  16  14.043  -5.009  -1.380
  144   2HB   PRO  16          1HB       PRO  16  12.555  -5.874  -1.779
  145   1HG   PRO  16          2HG       PRO  16  13.315  -3.058  -2.334
  146   2HG   PRO  16          1HG       PRO  16  12.289  -4.153  -3.273
  147   1HD   PRO  16          2HD       PRO  16  11.428  -2.132  -1.493
  148   2HD   PRO  16          1HD       PRO  16  10.427  -3.384  -2.242
  149    H    LYS  17           H        LYS  17  13.268  -2.298  -0.518
  150    HA   LYS  17           HA       LYS  17  14.426  -1.743   2.034
  151   1HB   LYS  17          2HB       LYS  17  16.113  -2.756  -0.176
  152   2HB   LYS  17          1HB       LYS  17  16.720  -1.328   0.650
  153   1HG   LYS  17          2HG       LYS  17  16.417  -2.591   2.809
  154   2HG   LYS  17          1HG       LYS  17  16.125  -4.027   1.825
  155   1HD   LYS  17          2HD       LYS  17  18.298  -4.242   1.272
  156   2HD   LYS  17          1HD       LYS  17  18.525  -2.501   1.093
  157   1HE   LYS  17          2HE       LYS  17  19.603  -2.494   3.035
  158   2HE   LYS  17          1HE       LYS  17  18.096  -2.948   3.829
  159   1HZ   LYS  17          1HZ       LYS  17  18.674  -5.174   3.832
  160   2HZ   LYS  17          2HZ       LYS  17  20.152  -4.419   4.156
  161   3HZ   LYS  17          3HZ       LYS  17  19.823  -5.001   2.602
  162    H    GLY  18           H        GLY  18  12.535  -0.596   0.105
  163   1HA   GLY  18          2HA       GLY  18  13.779   1.665  -1.133
  164   2HA   GLY  18          1HA       GLY  18  12.053   1.392  -0.959
  165    H    GLY  19           H        GLY  19  11.920   3.680  -0.524
  166   1HA   GLY  19          2HA       GLY  19  11.438   4.378   2.059
  167   2HA   GLY  19          1HA       GLY  19  13.146   4.738   1.857
  168    H    ARG  20           H        ARG  20   9.995   5.322   0.309
  169    HA   ARG  20           HA       ARG  20  10.388   8.132   0.242
  170   1HB   ARG  20          2HB       ARG  20  10.319   8.238  -2.327
  171   2HB   ARG  20          1HB       ARG  20  11.859   7.882  -1.557
  172   1HG   ARG  20          2HG       ARG  20  10.541   5.418  -2.023
  173   2HG   ARG  20          1HG       ARG  20  10.446   6.372  -3.504
  174   1HD   ARG  20          2HD       ARG  20  12.929   5.635  -1.962
  175   2HD   ARG  20          1HD       ARG  20  12.454   5.054  -3.558
  176    HE   ARG  20           HE       ARG  20  12.590   7.732  -3.894
  177   1HH1  ARG  20          1HH1      ARG  20  14.813   5.378  -2.595
  178   2HH1  ARG  20          2HH1      ARG  20  16.223   6.257  -3.079
  179   1HH2  ARG  20          1HH2      ARG  20  14.444   8.890  -4.534
  180   2HH2  ARG  20          2HH2      ARG  20  16.015   8.252  -4.180
  181    H    MET  21           H        MET  21   8.368   6.459   1.173
  182    HA   MET  21           HA       MET  21   6.109   6.202   1.184
  183   1HB   MET  21          2HB       MET  21   5.696   8.465   1.204
  184   2HB   MET  21          1HB       MET  21   6.523   8.740  -0.322
  185   1HG   MET  21          2HG       MET  21   4.614   7.735  -1.518
  186   2HG   MET  21          1HG       MET  21   3.785   7.514   0.018
  187   1HE   MET  21          1HE       MET  21   5.697   9.944  -2.098
  188   2HE   MET  21          2HE       MET  21   5.827  11.081  -0.755
  189   3HE   MET  21          3HE       MET  21   4.751  11.433  -2.108
  190    H    LEU  22           H        LEU  22   4.177   5.747  -0.170
  191    HA   LEU  22           HA       LEU  22   4.767   4.852  -2.871
  192   1HB   LEU  22          2HB       LEU  22   4.131   3.198  -0.513
  193   2HB   LEU  22          1HB       LEU  22   3.239   2.840  -1.972
  194    HG   LEU  22           HG       LEU  22   6.094   3.098  -2.480
  195   1HD1  LEU  22          1HD1      LEU  22   6.754   2.172  -0.526
  196   2HD1  LEU  22          2HD1      LEU  22   6.324   0.682  -1.366
  197   3HD1  LEU  22          3HD1      LEU  22   5.190   1.411  -0.229
  198   1HD2  LEU  22          1HD2      LEU  22   3.832   1.426  -3.254
  199   2HD2  LEU  22          2HD2      LEU  22   5.348   0.540  -3.114
  200   3HD2  LEU  22          3HD2      LEU  22   5.239   1.935  -4.185
  201    HA   PRO  23           HA       PRO  23   0.496   5.898  -3.574
  202   1HB   PRO  23          2HB       PRO  23  -0.318   3.455  -4.846
  203   2HB   PRO  23          1HB       PRO  23   0.220   4.943  -5.598
  204   1HG   PRO  23          2HG       PRO  23   1.625   2.602  -5.703
  205   2HG   PRO  23          1HG       PRO  23   2.367   4.209  -5.848
  206   1HD   PRO  23          2HD       PRO  23   2.141   2.447  -3.433
  207   2HD   PRO  23          1HD       PRO  23   3.533   3.369  -4.008
  208    H    GLN  24           H        GLN  24   0.836   2.666  -2.298
  209    HA   GLN  24           HA       GLN  24  -1.698   1.959  -1.620
  210   1HB   GLN  24          2HB       GLN  24  -0.721   0.302  -0.435
  211   2HB   GLN  24          1HB       GLN  24   0.756   0.922  -1.138
  212   1HG   GLN  24          2HG       GLN  24  -0.335   1.599   1.584
  213   2HG   GLN  24          1HG       GLN  24   1.039   0.553   1.235
  214   1HE2  GLN  24          1HE2      GLN  24   1.272   2.685   2.938
  215   2HE2  GLN  24          2HE2      GLN  24   2.268   3.900   2.219
  216    H    LEU  25           H        LEU  25   0.112   4.574  -0.282
  217    HA   LEU  25           HA       LEU  25  -1.616   4.704   2.038
  218   1HB   LEU  25          2HB       LEU  25  -0.419   7.055   2.230
  219   2HB   LEU  25          1HB       LEU  25   0.325   5.564   2.768
  220    HG   LEU  25           HG       LEU  25   1.305   5.562   0.308
  221   1HD1  LEU  25          1HD1      LEU  25   0.593   7.378  -0.805
  222   2HD1  LEU  25          2HD1      LEU  25   1.867   8.197   0.097
  223   3HD1  LEU  25          3HD1      LEU  25   0.202   8.260   0.670
  224   1HD2  LEU  25          1HD2      LEU  25   2.225   6.287   2.859
  225   2HD2  LEU  25          2HD2      LEU  25   2.834   7.511   1.745
  226   3HD2  LEU  25          3HD2      LEU  25   3.182   5.806   1.459
  227    H    VAL  26           H        VAL  26  -1.236   6.527  -0.933
  228    HA   VAL  26           HA       VAL  26  -3.469   8.260  -0.300
  229    HB   VAL  26           HB       VAL  26  -2.520   7.891  -3.105
  230   1HG1  VAL  26          1HG1      VAL  26  -3.279  10.346  -1.530
  231   2HG1  VAL  26          2HG1      VAL  26  -4.368   9.421  -2.565
  232   3HG1  VAL  26          3HG1      VAL  26  -2.986  10.263  -3.267
  233   1HG2  VAL  26          1HG2      VAL  26  -0.381   8.106  -2.346
  234   2HG2  VAL  26          2HG2      VAL  26  -0.870   8.948  -0.876
  235   3HG2  VAL  26          3HG2      VAL  26  -0.823   9.811  -2.412
  236    H    CYS  27           H        CYS  27  -2.815   5.215  -1.589
  237    HA   CYS  27           HA       CYS  27  -4.997   4.789  -3.253
  238   1HB   CYS  27          2HB       CYS  27  -3.856   2.939  -3.598
  239   2HB   CYS  27          1HB       CYS  27  -2.769   3.330  -2.291
  240    H    ARG  28           H        ARG  28  -4.484   4.080   0.155
  241    HA   ARG  28           HA       ARG  28  -7.116   3.076   0.440
  242   1HB   ARG  28          2HB       ARG  28  -5.887   4.183   2.887
  243   2HB   ARG  28          1HB       ARG  28  -6.628   2.618   2.618
  244   1HG   ARG  28          2HG       ARG  28  -4.599   1.727   2.622
  245   2HG   ARG  28          1HG       ARG  28  -4.276   2.581   1.131
  246   1HD   ARG  28          2HD       ARG  28  -2.547   3.099   2.723
  247   2HD   ARG  28          1HD       ARG  28  -3.525   4.535   2.445
  248    HE   ARG  28           HE       ARG  28  -3.430   2.921   4.877
  249   1HH1  ARG  28          1HH1      ARG  28  -4.684   5.718   3.191
  250   2HH1  ARG  28          2HH1      ARG  28  -5.268   6.474   4.634
  251   1HH2  ARG  28          1HH2      ARG  28  -4.200   3.925   6.767
  252   2HH2  ARG  28          2HH2      ARG  28  -4.995   5.460   6.658
  253    H    LEU  29           H        LEU  29  -5.650   6.205   0.536
  254    HA   LEU  29           HA       LEU  29  -7.723   7.577   1.892
  255   1HB   LEU  29          2HB       LEU  29  -5.413   8.319   0.203
  256   2HB   LEU  29          1HB       LEU  29  -6.707   9.499   0.300
  257    HG   LEU  29           HG       LEU  29  -5.180   8.360   2.645
  258   1HD1  LEU  29          1HD1      LEU  29  -3.737   9.845   1.551
  259   2HD1  LEU  29          2HD1      LEU  29  -4.480  10.800   2.835
  260   3HD1  LEU  29          3HD1      LEU  29  -5.042  10.970   1.171
  261   1HD2  LEU  29          1HD2      LEU  29  -7.121   8.867   3.689
  262   2HD2  LEU  29          2HD2      LEU  29  -7.637   9.985   2.426
  263   3HD2  LEU  29          3HD2      LEU  29  -6.453  10.499   3.627
  264    H    VAL  30           H        VAL  30  -7.302   6.534  -1.392
  265    HA   VAL  30           HA       VAL  30  -9.602   8.054  -2.323
  266    HB   VAL  30           HB       VAL  30  -7.914   6.099  -3.875
  267   1HG1  VAL  30          1HG1      VAL  30  -9.815   6.363  -5.144
  268   2HG1  VAL  30          2HG1      VAL  30  -8.818   7.683  -5.754
  269   3HG1  VAL  30          3HG1      VAL  30 -10.092   8.010  -4.581
  270   1HG2  VAL  30          1HG2      VAL  30  -6.964   8.394  -2.798
  271   2HG2  VAL  30          2HG2      VAL  30  -7.577   8.983  -4.343
  272   3HG2  VAL  30          3HG2      VAL  30  -6.379   7.690  -4.306
  273    H    LEU  31           H        LEU  31  -8.661   4.658  -2.070
  274    HA   LEU  31           HA       LEU  31 -11.171   3.703  -2.960
  275   1HB   LEU  31          2HB       LEU  31  -8.714   2.531  -2.409
  276   2HB   LEU  31          1HB       LEU  31  -9.809   1.817  -1.237
  277    HG   LEU  31           HG       LEU  31 -11.324   1.162  -3.086
  278   1HD1  LEU  31          1HD1      LEU  31 -10.987   2.603  -4.842
  279   2HD1  LEU  31          2HD1      LEU  31 -10.111   1.174  -5.390
  280   3HD1  LEU  31          3HD1      LEU  31  -9.230   2.539  -4.702
  281   1HD2  LEU  31          1HD2      LEU  31  -8.539   0.166  -2.862
  282   2HD2  LEU  31          2HD2      LEU  31  -9.527  -0.429  -4.189
  283   3HD2  LEU  31          3HD2      LEU  31 -10.062  -0.647  -2.527
  284    H    ARG  32           H        ARG  32 -10.021   4.747   0.130
  285    HA   ARG  32           HA       ARG  32 -11.818   3.450   1.828
  286   1HB   ARG  32          2HB       ARG  32 -10.052   4.785   2.779
  287   2HB   ARG  32          1HB       ARG  32 -10.639   6.233   1.973
  288   1HG   ARG  32          2HG       ARG  32 -12.287   4.773   4.011
  289   2HG   ARG  32          1HG       ARG  32 -11.097   5.994   4.463
  290   1HD   ARG  32          2HD       ARG  32 -12.647   7.091   2.375
  291   2HD   ARG  32          1HD       ARG  32 -13.770   6.340   3.505
  292    HE   ARG  32           HE       ARG  32 -11.733   8.098   4.615
  293   1HH1  ARG  32          1HH1      ARG  32 -15.062   7.660   3.641
  294   2HH1  ARG  32          2HH1      ARG  32 -15.635   9.009   4.560
  295   1HH2  ARG  32          1HH2      ARG  32 -12.494   9.873   5.820
  296   2HH2  ARG  32          2HH2      ARG  32 -14.181  10.264   5.793
  297    H    CYS  33           H        CYS  33 -12.080   6.333  -0.076
  298    HA   CYS  33           HA       CYS  33 -13.847   7.850  -0.277
  299   1HB   CYS  33          2HB       CYS  33 -14.621   7.253  -2.308
  300   2HB   CYS  33          1HB       CYS  33 -13.481   5.940  -2.116
  301    H    SER  34           H        SER  34 -16.521   7.413  -0.865
  302    HA   SER  34           HA       SER  34 -18.558   7.418   0.138
  303   1HB   SER  34          2HB       SER  34 -17.497   4.893   0.540
  304   2HB   SER  34          1HB       SER  34 -18.007   5.375   2.158
  305    HG   SER  34           HG       SER  34 -20.023   5.237   1.558
  Start of MODEL    8
    1   1H    CYS   1          1HT       CYS   1 -15.377  -1.927  -3.801
    2   2H    CYS   1          2HT       CYS   1 -15.750  -0.804  -5.042
    3   3H    CYS   1          3HT       CYS   1 -15.905  -0.349  -3.394
    4    HA   CYS   1           HA       CYS   1 -13.381  -1.135  -4.679
    5   1HB   CYS   1          2HB       CYS   1 -13.249   1.569  -4.081
    6   2HB   CYS   1          1HB       CYS   1 -13.452   0.874  -5.681
    7    H    TRP   2           H        TRP   2 -11.900  -1.651  -3.222
    8    HA   TRP   2           HA       TRP   2 -11.350  -0.208  -0.896
    9   1HB   TRP   2          2HB       TRP   2 -12.016  -2.225   0.683
   10   2HB   TRP   2          1HB       TRP   2 -13.158  -0.940   0.311
   11    HD1  TRP   2           HD       TRP   2 -12.300  -4.510  -0.946
   12    HE1  TRP   2           1HE      TRP   2 -14.487  -5.615  -1.737
   13    HE3  TRP   2           3HE      TRP   2 -15.492  -0.564  -0.290
   14    HZ2  TRP   2           2HZ      TRP   2 -17.205  -4.910  -2.040
   15    HZ3  TRP   2           3HZ      TRP   2 -17.868  -0.866  -0.855
   16    HH2  TRP   2           HH       TRP   2 -18.704  -2.993  -1.712
   17    H    LEU   3           H        LEU   3  -9.921  -1.351  -3.031
   18    HA   LEU   3           HA       LEU   3  -8.474  -3.632  -1.937
   19   1HB   LEU   3          2HB       LEU   3  -7.588  -2.263  -4.425
   20   2HB   LEU   3          1HB       LEU   3  -7.603  -3.972  -4.035
   21    HG   LEU   3           HG       LEU   3 -10.094  -2.388  -4.651
   22   1HD1  LEU   3          1HD1      LEU   3  -8.116  -3.707  -6.418
   23   2HD1  LEU   3          2HD1      LEU   3  -9.140  -2.301  -6.708
   24   3HD1  LEU   3          3HD1      LEU   3  -9.825  -3.923  -6.799
   25   1HD2  LEU   3          1HD2      LEU   3  -9.515  -5.333  -4.388
   26   2HD2  LEU   3          2HD2      LEU   3 -11.008  -4.675  -5.058
   27   3HD2  LEU   3          3HD2      LEU   3 -10.578  -4.352  -3.378
   28    H    CYS   4           H        CYS   4  -8.399  -0.427  -1.431
   29    HA   CYS   4           HA       CYS   4  -5.823   0.455  -1.774
   30   1HB   CYS   4          2HB       CYS   4  -6.949   2.213  -1.054
   31   2HB   CYS   4          1HB       CYS   4  -8.181   1.218  -0.322
   32    H    ARG   5           H        ARG   5  -6.836  -0.342   1.573
   33    HA   ARG   5           HA       ARG   5  -4.300  -0.750   2.549
   34   1HB   ARG   5          2HB       ARG   5  -5.401  -2.236   4.273
   35   2HB   ARG   5          1HB       ARG   5  -6.094  -0.630   4.096
   36   1HG   ARG   5          2HG       ARG   5  -8.008  -1.834   4.135
   37   2HG   ARG   5          1HG       ARG   5  -7.682  -1.912   2.402
   38   1HD   ARG   5          2HD       ARG   5  -6.315  -4.056   3.116
   39   2HD   ARG   5          1HD       ARG   5  -7.421  -4.017   4.489
   40    HE   ARG   5           HE       ARG   5  -9.018  -3.753   2.278
   41   1HH1  ARG   5          1HH1      ARG   5  -6.710  -6.113   3.412
   42   2HH1  ARG   5          2HH1      ARG   5  -7.491  -7.440   2.620
   43   1HH2  ARG   5          1HH2      ARG   5 -10.046  -5.492   1.239
   44   2HH2  ARG   5          2HH2      ARG   5  -9.387  -7.087   1.386
   45    H    ALA   6           H        ALA   6  -6.358  -3.012   0.825
   46    HA   ALA   6           HA       ALA   6  -4.904  -5.361   1.285
   47   1HB   ALA   6          1HB       ALA   6  -7.234  -4.880   0.132
   48   2HB   ALA   6          2HB       ALA   6  -6.315  -6.349  -0.199
   49   3HB   ALA   6          3HB       ALA   6  -6.255  -4.997  -1.330
   50    H    LEU   7           H        LEU   7  -4.651  -3.017  -1.392
   51    HA   LEU   7           HA       LEU   7  -2.561  -4.470  -2.681
   52   1HB   LEU   7          2HB       LEU   7  -2.564  -2.802  -4.304
   53   2HB   LEU   7          1HB       LEU   7  -4.225  -2.859  -3.753
   54    HG   LEU   7           HG       LEU   7  -3.241  -0.911  -2.139
   55   1HD1  LEU   7          1HD1      LEU   7  -1.146  -1.259  -3.836
   56   2HD1  LEU   7          2HD1      LEU   7  -1.517   0.243  -2.989
   57   3HD1  LEU   7          3HD1      LEU   7  -2.055   0.013  -4.652
   58   1HD2  LEU   7          1HD2      LEU   7  -4.194   0.666  -3.911
   59   2HD2  LEU   7          2HD2      LEU   7  -5.262  -0.586  -3.276
   60   3HD2  LEU   7          3HD2      LEU   7  -4.508  -0.791  -4.857
   61    H    ILE   8           H        ILE   8  -2.653  -2.134  -0.132
   62    HA   ILE   8           HA       ILE   8   0.000  -1.235  -0.536
   63    HB   ILE   8           HB       ILE   8  -0.161   0.030   1.405
   64   1HG1  ILE   8          2HG1      ILE   8  -2.369  -0.729   2.900
   65   2HG1  ILE   8          1HG1      ILE   8  -1.647  -2.259   2.423
   66   1HG2  ILE   8          1HG2      ILE   8  -2.417  -0.072  -0.311
   67   2HG2  ILE   8          2HG2      ILE   8  -1.770   1.303   0.579
   68   3HG2  ILE   8          3HG2      ILE   8  -2.986   0.266   1.323
   69   1HD1  ILE   8          1HD1      ILE   8  -0.853  -0.508   4.487
   70   2HD1  ILE   8          2HD1      ILE   8   0.431  -0.533   3.279
   71   3HD1  ILE   8          3HD1      ILE   8  -0.124  -2.040   4.006
   72    H    LYS   9           H        LYS   9  -1.465  -3.905   1.085
   73    HA   LYS   9           HA       LYS   9   0.946  -4.605   2.483
   74   1HB   LYS   9          2HB       LYS   9  -0.538  -6.962   2.293
   75   2HB   LYS   9          1HB       LYS   9  -0.414  -5.878   3.658
   76   1HG   LYS   9          2HG       LYS   9  -2.353  -5.011   1.699
   77   2HG   LYS   9          1HG       LYS   9  -2.709  -6.596   2.372
   78   1HD   LYS   9          2HD       LYS   9  -3.734  -4.714   3.642
   79   2HD   LYS   9          1HD       LYS   9  -2.673  -5.742   4.601
   80   1HE   LYS   9          2HE       LYS   9  -1.037  -3.719   3.570
   81   2HE   LYS   9          1HE       LYS   9  -2.515  -2.913   4.094
   82   1HZ   LYS   9          1HZ       LYS   9  -2.045  -3.287   6.234
   83   2HZ   LYS   9          2HZ       LYS   9  -0.460  -3.551   5.706
   84   3HZ   LYS   9          3HZ       LYS   9  -1.494  -4.864   5.962
   85    H    ARG  10           H        ARG  10  -0.566  -5.193  -0.547
   86    HA   ARG  10           HA       ARG  10   0.976  -7.383  -1.378
   87   1HB   ARG  10          2HB       ARG  10  -0.476  -5.165  -2.771
   88   2HB   ARG  10          1HB       ARG  10   0.609  -6.185  -3.700
   89   1HG   ARG  10          2HG       ARG  10  -1.955  -6.699  -3.465
   90   2HG   ARG  10          1HG       ARG  10  -0.749  -7.978  -3.581
   91   1HD   ARG  10          2HD       ARG  10  -1.529  -6.961  -0.892
   92   2HD   ARG  10          1HD       ARG  10  -2.626  -8.043  -1.745
   93    HE   ARG  10           HE       ARG  10  -0.259  -8.780  -0.404
   94   1HH1  ARG  10          1HH1      ARG  10  -2.050  -9.464  -3.319
   95   2HH1  ARG  10          2HH1      ARG  10  -1.450 -11.082  -3.458
   96   1HH2  ARG  10          1HH2      ARG  10   0.534 -10.909  -0.585
   97   2HH2  ARG  10          2HH2      ARG  10   0.017 -11.903  -1.906
   98    H    ILE  11           H        ILE  11   1.505  -4.056  -0.823
   99    HA   ILE  11           HA       ILE  11   4.007  -3.905  -2.284
  100    HB   ILE  11           HB       ILE  11   2.251  -2.011  -0.980
  101   1HG1  ILE  11          2HG1      ILE  11   3.416  -0.417  -2.432
  102   2HG1  ILE  11          1HG1      ILE  11   4.671  -1.610  -2.752
  103   1HG2  ILE  11          1HG2      ILE  11   3.815  -2.030   0.861
  104   2HG2  ILE  11          2HG2      ILE  11   3.982  -0.519  -0.035
  105   3HG2  ILE  11          3HG2      ILE  11   5.169  -1.807  -0.245
  106   1HD1  ILE  11          1HD1      ILE  11   3.411  -2.722  -4.244
  107   2HD1  ILE  11          2HD1      ILE  11   2.582  -1.171  -4.367
  108   3HD1  ILE  11          3HD1      ILE  11   1.916  -2.450  -3.351
  109    H    GLN  12           H        GLN  12   2.751  -4.356   0.917
  110    HA   GLN  12           HA       GLN  12   4.918  -4.186   2.571
  111   1HB   GLN  12          2HB       GLN  12   2.414  -5.643   2.493
  112   2HB   GLN  12          1HB       GLN  12   3.649  -6.541   3.331
  113   1HG   GLN  12          2HG       GLN  12   1.984  -4.572   4.299
  114   2HG   GLN  12          1HG       GLN  12   3.343  -5.390   5.101
  115   1HE2  GLN  12          1HE2      GLN  12   3.224  -2.920   2.533
  116   2HE2  GLN  12          2HE2      GLN  12   4.183  -1.756   3.374
  117    H    ALA  13           H        ALA  13   3.789  -7.161   1.024
  118    HA   ALA  13           HA       ALA  13   6.057  -8.548   1.776
  119   1HB   ALA  13          1HB       ALA  13   5.199 -10.374   0.638
  120   2HB   ALA  13          2HB       ALA  13   4.543  -9.381  -0.664
  121   3HB   ALA  13          3HB       ALA  13   3.747  -9.411   0.910
  122    H    MET  14           H        MET  14   5.307  -6.568  -0.972
  123    HA   MET  14           HA       MET  14   7.470  -7.344  -2.639
  124   1HB   MET  14          2HB       MET  14   5.546  -5.078  -2.546
  125   2HB   MET  14          1HB       MET  14   7.005  -4.865  -3.503
  126   1HG   MET  14          2HG       MET  14   5.322  -7.303  -3.856
  127   2HG   MET  14          1HG       MET  14   4.860  -5.781  -4.613
  128   1HE   MET  14          1HE       MET  14   7.961  -8.764  -5.842
  129   2HE   MET  14          2HE       MET  14   6.928  -8.754  -4.413
  130   3HE   MET  14          3HE       MET  14   8.482  -7.920  -4.384
  131    H    ILE  15           H        ILE  15   7.082  -4.737  -0.237
  132    HA   ILE  15           HA       ILE  15   9.620  -3.572  -0.720
  133    HB   ILE  15           HB       ILE  15   7.954  -2.249   0.372
  134   1HG1  ILE  15          2HG1      ILE  15  10.457  -2.083   1.033
  135   2HG1  ILE  15          1HG1      ILE  15   9.269  -1.214   1.996
  136   1HG2  ILE  15          1HG2      ILE  15   7.247  -2.770   2.725
  137   2HG2  ILE  15          2HG2      ILE  15   7.954  -4.368   2.502
  138   3HG2  ILE  15          3HG2      ILE  15   6.614  -3.849   1.483
  139   1HD1  ILE  15          1HD1      ILE  15  10.039  -2.217   3.807
  140   2HD1  ILE  15          2HD1      ILE  15  11.179  -3.140   2.831
  141   3HD1  ILE  15          3HD1      ILE  15   9.570  -3.781   3.143
  142    HA   PRO  16           HA       PRO  16  11.910  -6.795   1.399
  143   1HB   PRO  16          2HB       PRO  16  14.352  -6.095   0.526
  144   2HB   PRO  16          1HB       PRO  16  13.176  -6.891  -0.525
  145   1HG   PRO  16          2HG       PRO  16  13.966  -4.021  -0.397
  146   2HG   PRO  16          1HG       PRO  16  13.558  -5.012  -1.806
  147   1HD   PRO  16          2HD       PRO  16  11.841  -3.224  -0.552
  148   2HD   PRO  16          1HD       PRO  16  11.339  -4.552  -1.614
  149    H    LYS  17           H        LYS  17  13.278  -3.485   1.332
  150    HA   LYS  17           HA       LYS  17  13.411  -3.479   4.228
  151   1HB   LYS  17          2HB       LYS  17  15.595  -4.445   2.966
  152   2HB   LYS  17          1HB       LYS  17  15.980  -2.730   2.971
  153   1HG   LYS  17          2HG       LYS  17  15.790  -2.648   5.372
  154   2HG   LYS  17          1HG       LYS  17  15.259  -4.330   5.417
  155   1HD   LYS  17          2HD       LYS  17  17.382  -5.114   4.710
  156   2HD   LYS  17          1HD       LYS  17  17.914  -3.488   4.275
  157   1HE   LYS  17          2HE       LYS  17  18.900  -3.483   6.287
  158   2HE   LYS  17          1HE       LYS  17  17.279  -3.183   6.911
  159   1HZ   LYS  17          1HZ       LYS  17  18.905  -5.586   7.045
  160   2HZ   LYS  17          2HZ       LYS  17  17.260  -5.836   6.740
  161   3HZ   LYS  17          3HZ       LYS  17  17.743  -5.000   8.128
  162    H    GLY  18           H        GLY  18  12.250  -1.927   1.844
  163   1HA   GLY  18          2HA       GLY  18  13.473   0.630   1.819
  164   2HA   GLY  18          1HA       GLY  18  11.839   0.264   1.286
  165    H    GLY  19           H        GLY  19  10.114   0.414   2.771
  166   1HA   GLY  19          2HA       GLY  19   9.054   1.030   4.746
  167   2HA   GLY  19          1HA       GLY  19  10.629   1.284   5.481
  168    H    ARG  20           H        ARG  20   7.906   2.755   4.090
  169    HA   ARG  20           HA       ARG  20   8.634   5.330   4.901
  170   1HB   ARG  20          2HB       ARG  20   9.646   4.588   2.301
  171   2HB   ARG  20          1HB       ARG  20   8.505   5.917   2.153
  172   1HG   ARG  20          2HG       ARG  20   9.790   7.176   3.833
  173   2HG   ARG  20          1HG       ARG  20  10.959   5.856   3.894
  174   1HD   ARG  20          2HD       ARG  20  10.280   7.082   1.261
  175   2HD   ARG  20          1HD       ARG  20  11.363   7.944   2.353
  176    HE   ARG  20           HE       ARG  20  12.139   5.223   2.008
  177   1HH1  ARG  20          1HH1      ARG  20  12.257   8.374   0.516
  178   2HH1  ARG  20          2HH1      ARG  20  13.694   8.030  -0.388
  179   1HH2  ARG  20          1HH2      ARG  20  14.026   4.768   0.821
  180   2HH2  ARG  20          2HH2      ARG  20  14.698   5.982  -0.216
  181    H    MET  21           H        MET  21   7.077   4.706   1.794
  182    HA   MET  21           HA       MET  21   4.487   4.234   2.339
  183   1HB   MET  21          2HB       MET  21   4.006   5.933   3.819
  184   2HB   MET  21          1HB       MET  21   5.193   7.024   3.121
  185   1HG   MET  21          2HG       MET  21   3.709   7.469   1.249
  186   2HG   MET  21          1HG       MET  21   2.528   6.334   1.899
  187   1HE   MET  21          1HE       MET  21   4.384   9.518   2.096
  188   2HE   MET  21          2HE       MET  21   4.569   9.457   3.848
  189   3HE   MET  21          3HE       MET  21   3.432  10.593   3.120
  190    H    LEU  22           H        LEU  22   2.991   4.917   0.580
  191    HA   LEU  22           HA       LEU  22   3.773   6.498  -1.573
  192   1HB   LEU  22          2HB       LEU  22   5.541   5.023  -2.058
  193   2HB   LEU  22          1HB       LEU  22   4.540   3.610  -1.815
  194    HG   LEU  22           HG       LEU  22   3.741   5.435  -4.010
  195   1HD1  LEU  22          1HD1      LEU  22   5.932   5.518  -4.663
  196   2HD1  LEU  22          2HD1      LEU  22   5.429   4.012  -5.432
  197   3HD1  LEU  22          3HD1      LEU  22   6.330   3.969  -3.916
  198   1HD2  LEU  22          1HD2      LEU  22   3.472   3.141  -5.102
  199   2HD2  LEU  22          2HD2      LEU  22   2.400   3.530  -3.757
  200   3HD2  LEU  22          3HD2      LEU  22   3.791   2.476  -3.501
  201    HA   PRO  23           HA       PRO  23  -0.014   4.008  -2.892
  202   1HB   PRO  23          2HB       PRO  23  -0.458   1.615  -1.452
  203   2HB   PRO  23          1HB       PRO  23   0.227   1.768  -3.070
  204   1HG   PRO  23          2HG       PRO  23   1.601   0.858  -0.824
  205   2HG   PRO  23          1HG       PRO  23   2.351   1.453  -2.317
  206   1HD   PRO  23          2HD       PRO  23   1.831   2.905   0.254
  207   2HD   PRO  23          1HD       PRO  23   3.260   2.964  -0.792
  208    H    GLN  24           H        GLN  24   0.084   2.905   0.443
  209    HA   GLN  24           HA       GLN  24  -2.388   3.012   1.326
  210   1HB   GLN  24          2HB       GLN  24  -0.593   4.574   3.078
  211   2HB   GLN  24          1HB       GLN  24  -1.631   3.210   3.460
  212   1HG   GLN  24          2HG       GLN  24   0.012   1.738   2.291
  213   2HG   GLN  24          1HG       GLN  24   1.081   3.135   2.171
  214   1HE2  GLN  24          1HE2      GLN  24   0.649   4.330   4.606
  215   2HE2  GLN  24          2HE2      GLN  24   1.240   3.304   5.864
  216    H    LEU  25           H        LEU  25  -0.635   5.905   0.504
  217    HA   LEU  25           HA       LEU  25  -2.618   7.649   1.600
  218   1HB   LEU  25          2HB       LEU  25  -1.348   9.398   0.187
  219   2HB   LEU  25          1HB       LEU  25  -0.548   8.665   1.563
  220    HG   LEU  25           HG       LEU  25   0.462   7.019  -0.144
  221   1HD1  LEU  25          1HD1      LEU  25  -0.356   7.219  -2.199
  222   2HD1  LEU  25          2HD1      LEU  25   0.666   8.649  -2.333
  223   3HD1  LEU  25          3HD1      LEU  25  -1.030   8.816  -1.877
  224   1HD2  LEU  25          1HD2      LEU  25   1.351   9.368   0.936
  225   2HD2  LEU  25          2HD2      LEU  25   1.617   9.612  -0.791
  226   3HD2  LEU  25          3HD2      LEU  25   2.329   8.220   0.023
  227    H    VAL  26           H        VAL  26  -1.994   6.327  -1.570
  228    HA   VAL  26           HA       VAL  26  -4.160   7.885  -2.766
  229    HB   VAL  26           HB       VAL  26  -2.632   5.595  -3.994
  230   1HG1  VAL  26          1HG1      VAL  26  -3.413   6.506  -6.120
  231   2HG1  VAL  26          2HG1      VAL  26  -4.274   7.782  -5.258
  232   3HG1  VAL  26          3HG1      VAL  26  -4.765   6.099  -5.063
  233   1HG2  VAL  26          1HG2      VAL  26  -1.824   8.366  -3.566
  234   2HG2  VAL  26          2HG2      VAL  26  -1.706   7.849  -5.246
  235   3HG2  VAL  26          3HG2      VAL  26  -0.852   6.956  -3.989
  236    H    CYS  27           H        CYS  27  -3.354   4.865  -1.393
  237    HA   CYS  27           HA       CYS  27  -5.524   3.331  -2.247
  238   1HB   CYS  27          2HB       CYS  27  -4.409   1.755  -1.129
  239   2HB   CYS  27          1HB       CYS  27  -3.210   2.954  -0.712
  240    H    ARG  28           H        ARG  28  -4.879   5.128   0.712
  241    HA   ARG  28           HA       ARG  28  -7.427   4.711   1.768
  242   1HB   ARG  28          2HB       ARG  28  -5.410   6.882   2.312
  243   2HB   ARG  28          1HB       ARG  28  -6.890   6.674   3.243
  244   1HG   ARG  28          2HG       ARG  28  -6.148   4.765   4.259
  245   2HG   ARG  28          1HG       ARG  28  -5.084   4.321   2.925
  246   1HD   ARG  28          2HD       ARG  28  -3.811   6.505   3.641
  247   2HD   ARG  28          1HD       ARG  28  -4.649   6.259   5.169
  248    HE   ARG  28           HE       ARG  28  -2.398   4.830   4.223
  249   1HH1  ARG  28          1HH1      ARG  28  -5.362   4.410   6.015
  250   2HH1  ARG  28          2HH1      ARG  28  -4.760   3.077   6.942
  251   1HH2  ARG  28          1HH2      ARG  28  -1.601   3.081   5.445
  252   2HH2  ARG  28          2HH2      ARG  28  -2.621   2.324   6.621
  253    H    LEU  29           H        LEU  29  -6.144   6.985  -0.526
  254    HA   LEU  29           HA       LEU  29  -8.262   8.854  -0.526
  255   1HB   LEU  29          2HB       LEU  29  -6.218   7.985  -2.528
  256   2HB   LEU  29          1HB       LEU  29  -7.558   8.971  -3.076
  257    HG   LEU  29           HG       LEU  29  -5.711   9.779  -0.835
  258   1HD1  LEU  29          1HD1      LEU  29  -5.013   9.550  -3.503
  259   2HD1  LEU  29          2HD1      LEU  29  -4.200  10.530  -2.284
  260   3HD1  LEU  29          3HD1      LEU  29  -5.436  11.250  -3.315
  261   1HD2  LEU  29          1HD2      LEU  29  -7.489  11.149  -0.531
  262   2HD2  LEU  29          2HD2      LEU  29  -8.045  10.981  -2.196
  263   3HD2  LEU  29          3HD2      LEU  29  -6.699  12.058  -1.820
  264    H    VAL  30           H        VAL  30  -7.864   5.660  -1.745
  265    HA   VAL  30           HA       VAL  30 -10.368   5.676  -3.222
  266    HB   VAL  30           HB       VAL  30  -8.248   3.560  -2.842
  267   1HG1  VAL  30          1HG1      VAL  30 -10.226   2.298  -2.942
  268   2HG1  VAL  30          2HG1      VAL  30  -9.605   2.299  -4.594
  269   3HG1  VAL  30          3HG1      VAL  30 -10.944   3.360  -4.152
  270   1HG2  VAL  30          1HG2      VAL  30  -7.512   5.150  -4.406
  271   2HG2  VAL  30          2HG2      VAL  30  -9.107   5.285  -5.145
  272   3HG2  VAL  30          3HG2      VAL  30  -8.152   3.820  -5.373
  273    H    LEU  31           H        LEU  31  -9.027   4.676  -0.185
  274    HA   LEU  31           HA       LEU  31 -10.723   2.707   0.684
  275   1HB   LEU  31          2HB       LEU  31  -9.196   3.140   2.319
  276   2HB   LEU  31          1HB       LEU  31  -9.214   4.863   2.017
  277    HG   LEU  31           HG       LEU  31 -11.594   3.646   3.334
  278   1HD1  LEU  31          1HD1      LEU  31 -10.377   2.795   4.993
  279   2HD1  LEU  31          2HD1      LEU  31 -10.011   4.461   5.437
  280   3HD1  LEU  31          3HD1      LEU  31  -8.897   3.557   4.410
  281   1HD2  LEU  31          1HD2      LEU  31 -12.061   5.768   3.913
  282   2HD2  LEU  31          2HD2      LEU  31 -10.951   6.171   2.603
  283   3HD2  LEU  31          3HD2      LEU  31 -10.377   6.153   4.271
  284    H    ARG  32           H        ARG  32 -11.303   6.120   0.363
  285    HA   ARG  32           HA       ARG  32 -13.763   6.299   1.695
  286   1HB   ARG  32          2HB       ARG  32 -12.439   8.244   0.844
  287   2HB   ARG  32          1HB       ARG  32 -12.938   7.812  -0.787
  288   1HG   ARG  32          2HG       ARG  32 -15.014   8.286   1.299
  289   2HG   ARG  32          1HG       ARG  32 -14.204   9.661   0.542
  290   1HD   ARG  32          2HD       ARG  32 -15.410   9.439  -1.315
  291   2HD   ARG  32          1HD       ARG  32 -15.020   7.723  -1.435
  292    HE   ARG  32           HE       ARG  32 -17.045   7.224  -0.480
  293   1HH1  ARG  32          1HH1      ARG  32 -16.389  10.625  -0.052
  294   2HH1  ARG  32          2HH1      ARG  32 -17.981  10.987   0.525
  295   1HH2  ARG  32          1HH2      ARG  32 -19.139   7.698   0.280
  296   2HH2  ARG  32          2HH2      ARG  32 -19.542   9.326   0.714
  297    H    CYS  33           H        CYS  33 -13.184   6.064  -1.757
  298    HA   CYS  33           HA       CYS  33 -14.440   5.294  -3.492
  299   1HB   CYS  33          2HB       CYS  33 -13.726   3.172  -3.065
  300   2HB   CYS  33          1HB       CYS  33 -14.336   3.177  -1.420
  301    H    SER  34           H        SER  34 -16.603   4.688  -4.312
  302    HA   SER  34           HA       SER  34 -18.832   5.102  -4.520
  303   1HB   SER  34          2HB       SER  34 -18.613   3.600  -2.305
  304   2HB   SER  34          1HB       SER  34 -19.290   5.059  -1.581
  305    HG   SER  34           HG       SER  34 -20.939   3.653  -2.253
  Start of MODEL    9
    1   1H    CYS   1          1HT       CYS   1 -13.043  -1.954  -4.305
    2   2H    CYS   1          2HT       CYS   1 -14.535  -1.516  -5.029
    3   3H    CYS   1          3HT       CYS   1 -14.517  -2.343  -3.525
    4    HA   CYS   1           HA       CYS   1 -13.300   0.296  -3.934
    5   1HB   CYS   1          2HB       CYS   1 -15.713   0.325  -4.494
    6   2HB   CYS   1          1HB       CYS   1 -16.072  -0.381  -2.923
    7    H    TRP   2           H        TRP   2 -12.968  -2.418  -2.299
    8    HA   TRP   2           HA       TRP   2 -12.232  -1.023   0.144
    9   1HB   TRP   2          2HB       TRP   2 -13.280  -3.288   1.254
   10   2HB   TRP   2          1HB       TRP   2 -14.085  -1.726   1.208
   11    HD1  TRP   2           HD       TRP   2 -13.945  -4.975  -0.913
   12    HE1  TRP   2           1HE      TRP   2 -16.268  -5.330  -1.964
   13    HE3  TRP   2           3HE      TRP   2 -16.238  -0.704   0.720
   14    HZ2  TRP   2           2HZ      TRP   2 -18.746  -3.980  -2.082
   15    HZ3  TRP   2           3HZ      TRP   2 -18.585  -0.315   0.096
   16    HH2  TRP   2           HH       TRP   2 -19.811  -1.918  -1.278
   17    H    LEU   3           H        LEU   3 -10.994  -2.552  -2.192
   18    HA   LEU   3           HA       LEU   3  -9.637  -4.729  -0.808
   19   1HB   LEU   3          2HB       LEU   3  -8.784  -3.929  -3.527
   20   2HB   LEU   3          1HB       LEU   3  -9.022  -5.528  -2.850
   21    HG   LEU   3           HG       LEU   3 -11.228  -3.680  -3.768
   22   1HD1  LEU   3          1HD1      LEU   3  -9.672  -5.815  -5.102
   23   2HD1  LEU   3          2HD1      LEU   3 -10.422  -4.365  -5.772
   24   3HD1  LEU   3          3HD1      LEU   3 -11.412  -5.776  -5.394
   25   1HD2  LEU   3          1HD2      LEU   3 -12.369  -6.090  -3.623
   26   2HD2  LEU   3          2HD2      LEU   3 -12.364  -4.951  -2.275
   27   3HD2  LEU   3          3HD2      LEU   3 -11.186  -6.263  -2.327
   28    H    CYS   4           H        CYS   4  -9.278  -1.489  -0.852
   29    HA   CYS   4           HA       CYS   4  -6.747  -0.820  -1.538
   30   1HB   CYS   4          2HB       CYS   4  -8.759   0.350  -0.048
   31   2HB   CYS   4          1HB       CYS   4  -7.398   0.300   1.067
   32    H    ARG   5           H        ARG   5  -7.260  -1.254   1.949
   33    HA   ARG   5           HA       ARG   5  -4.815  -1.613   2.850
   34   1HB   ARG   5          2HB       ARG   5  -5.607  -3.002   4.621
   35   2HB   ARG   5          1HB       ARG   5  -6.909  -1.907   4.185
   36   1HG   ARG   5          2HG       ARG   5  -7.141  -4.333   2.678
   37   2HG   ARG   5          1HG       ARG   5  -6.997  -4.701   4.393
   38   1HD   ARG   5          2HD       ARG   5  -8.960  -3.660   4.921
   39   2HD   ARG   5          1HD       ARG   5  -8.841  -2.517   3.584
   40    HE   ARG   5           HE       ARG   5  -9.243  -4.842   2.306
   41   1HH1  ARG   5          1HH1      ARG   5 -10.898  -3.348   4.993
   42   2HH1  ARG   5          2HH1      ARG   5 -12.426  -4.066   4.611
   43   1HH2  ARG   5          1HH2      ARG   5 -11.253  -5.783   1.802
   44   2HH2  ARG   5          2HH2      ARG   5 -12.628  -5.448   2.800
   45    H    ALA   6           H        ALA   6  -6.492  -4.072   0.966
   46    HA   ALA   6           HA       ALA   6  -4.690  -6.181   1.281
   47   1HB   ALA   6          1HB       ALA   6  -6.001  -5.880  -1.352
   48   2HB   ALA   6          2HB       ALA   6  -7.050  -5.945   0.064
   49   3HB   ALA   6          3HB       ALA   6  -5.932  -7.268  -0.265
   50    H    LEU   7           H        LEU   7  -4.733  -3.596  -1.205
   51    HA   LEU   7           HA       LEU   7  -2.398  -4.668  -2.460
   52   1HB   LEU   7          2HB       LEU   7  -2.673  -3.152  -4.121
   53   2HB   LEU   7          1HB       LEU   7  -4.302  -3.206  -3.494
   54    HG   LEU   7           HG       LEU   7  -3.592  -0.937  -4.083
   55   1HD1  LEU   7          1HD1      LEU   7  -5.149  -1.535  -2.131
   56   2HD1  LEU   7          2HD1      LEU   7  -4.566   0.120  -2.299
   57   3HD1  LEU   7          3HD1      LEU   7  -3.826  -0.959  -1.117
   58   1HD2  LEU   7          1HD2      LEU   7  -1.149  -1.518  -3.171
   59   2HD2  LEU   7          2HD2      LEU   7  -1.798  -0.683  -1.757
   60   3HD2  LEU   7          3HD2      LEU   7  -1.760   0.128  -3.322
   61    H    ILE   8           H        ILE   8  -2.903  -2.480   0.174
   62    HA   ILE   8           HA       ILE   8  -0.409  -1.175  -0.070
   63    HB   ILE   8           HB       ILE   8  -0.704  -0.286   2.106
   64   1HG1  ILE   8          2HG1      ILE   8  -3.117  -1.666   2.940
   65   2HG1  ILE   8          1HG1      ILE   8  -1.768  -2.774   2.769
   66   1HG2  ILE   8          1HG2      ILE   8  -2.179   0.659   0.455
   67   2HG2  ILE   8          2HG2      ILE   8  -2.999   0.605   2.015
   68   3HG2  ILE   8          3HG2      ILE   8  -3.387  -0.586   0.773
   69   1HD1  ILE   8          1HD1      ILE   8  -2.229  -1.552   5.027
   70   2HD1  ILE   8          2HD1      ILE   8  -1.363  -0.232   4.247
   71   3HD1  ILE   8          3HD1      ILE   8  -0.578  -1.796   4.459
   72    H    LYS   9           H        LYS   9  -1.461  -4.198   1.210
   73    HA   LYS   9           HA       LYS   9   1.102  -4.676   2.455
   74   1HB   LYS   9          2HB       LYS   9  -0.166  -7.161   2.256
   75   2HB   LYS   9          1HB       LYS   9  -0.006  -6.147   3.672
   76   1HG   LYS   9          2HG       LYS   9  -2.191  -5.382   1.930
   77   2HG   LYS   9          1HG       LYS   9  -2.342  -7.007   2.582
   78   1HD   LYS   9          2HD       LYS   9  -3.343  -5.055   3.934
   79   2HD   LYS   9          1HD       LYS   9  -2.388  -6.266   4.781
   80   1HE   LYS   9          2HE       LYS   9  -0.783  -4.047   3.792
   81   2HE   LYS   9          1HE       LYS   9  -2.045  -3.536   4.908
   82   1HZ   LYS   9          1HZ       LYS   9  -0.648  -5.878   5.799
   83   2HZ   LYS   9          2HZ       LYS   9  -0.977  -4.437   6.623
   84   3HZ   LYS   9          3HZ       LYS   9   0.374  -4.540   5.613
   85    H    ARG  10           H        ARG  10  -0.496  -5.121  -0.534
   86    HA   ARG  10           HA       ARG  10   1.091  -7.189  -1.568
   87   1HB   ARG  10          2HB       ARG  10  -0.343  -4.884  -2.902
   88   2HB   ARG  10          1HB       ARG  10   0.532  -6.108  -3.812
   89   1HG   ARG  10          2HG       ARG  10  -1.633  -6.837  -1.876
   90   2HG   ARG  10          1HG       ARG  10  -1.984  -6.400  -3.550
   91   1HD   ARG  10          2HD       ARG  10  -1.808  -8.716  -3.628
   92   2HD   ARG  10          1HD       ARG  10  -0.213  -8.172  -4.147
   93    HE   ARG  10           HE       ARG  10  -0.438  -8.680  -1.319
   94   1HH1  ARG  10          1HH1      ARG  10   0.287 -10.060  -4.445
   95   2HH1  ARG  10          2HH1      ARG  10   1.246 -11.344  -3.791
   96   1HH2  ARG  10          1HH2      ARG  10   0.823 -10.368  -0.464
   97   2HH2  ARG  10          2HH2      ARG  10   1.549 -11.520  -1.533
   98    H    ILE  11           H        ILE  11   1.563  -3.924  -0.710
   99    HA   ILE  11           HA       ILE  11   4.007  -3.603  -2.259
  100    HB   ILE  11           HB       ILE  11   2.744  -1.852  -0.138
  101   1HG1  ILE  11          2HG1      ILE  11   1.480  -1.801  -2.190
  102   2HG1  ILE  11          1HG1      ILE  11   2.396  -0.300  -2.073
  103   1HG2  ILE  11          1HG2      ILE  11   5.367  -1.904  -0.523
  104   2HG2  ILE  11          2HG2      ILE  11   4.494  -0.398  -0.232
  105   3HG2  ILE  11          3HG2      ILE  11   4.935  -0.857  -1.876
  106   1HD1  ILE  11          1HD1      ILE  11   4.141  -1.567  -3.517
  107   2HD1  ILE  11          2HD1      ILE  11   2.700  -0.885  -4.272
  108   3HD1  ILE  11          3HD1      ILE  11   2.776  -2.610  -3.915
  109    H    GLN  12           H        GLN  12   2.841  -4.192   0.971
  110    HA   GLN  12           HA       GLN  12   4.943  -4.067   2.625
  111   1HB   GLN  12          2HB       GLN  12   2.587  -5.675   2.400
  112   2HB   GLN  12          1HB       GLN  12   3.888  -6.675   2.984
  113   1HG   GLN  12          2HG       GLN  12   2.250  -4.836   4.347
  114   2HG   GLN  12          1HG       GLN  12   3.469  -5.977   4.961
  115   1HE2  GLN  12          1HE2      GLN  12   5.802  -5.103   4.469
  116   2HE2  GLN  12          2HE2      GLN  12   6.076  -3.478   4.990
  117    H    ALA  13           H        ALA  13   4.165  -6.902   0.695
  118    HA   ALA  13           HA       ALA  13   6.574  -8.154   1.279
  119   1HB   ALA  13          1HB       ALA  13   4.871  -8.814  -1.104
  120   2HB   ALA  13          2HB       ALA  13   4.412  -9.259   0.540
  121   3HB   ALA  13          3HB       ALA  13   5.897  -9.899  -0.165
  122    H    MET  14           H        MET  14   5.453  -6.234  -1.442
  123    HA   MET  14           HA       MET  14   7.461  -6.593  -3.276
  124   1HB   MET  14          2HB       MET  14   6.676  -4.729  -4.320
  125   2HB   MET  14          1HB       MET  14   5.366  -4.933  -3.171
  126   1HG   MET  14          2HG       MET  14   5.703  -2.840  -2.545
  127   2HG   MET  14          1HG       MET  14   7.229  -3.348  -1.837
  128   1HE   MET  14          1HE       MET  14   7.111   0.069  -3.669
  129   2HE   MET  14          2HE       MET  14   8.594  -0.414  -2.847
  130   3HE   MET  14          3HE       MET  14   7.026  -0.789  -2.130
  131    H    ILE  15           H        ILE  15   7.641  -4.977  -0.205
  132    HA   ILE  15           HA       ILE  15  10.534  -4.849  -0.425
  133    HB   ILE  15           HB       ILE  15  10.581  -2.489   0.434
  134   1HG1  ILE  15          2HG1      ILE  15   8.206  -1.485  -0.670
  135   2HG1  ILE  15          1HG1      ILE  15   7.714  -2.881   0.285
  136   1HG2  ILE  15          1HG2      ILE  15   9.511  -3.020  -2.328
  137   2HG2  ILE  15          2HG2      ILE  15  11.199  -2.907  -1.833
  138   3HG2  ILE  15          3HG2      ILE  15  10.173  -1.472  -1.810
  139   1HD1  ILE  15          1HD1      ILE  15   8.933  -0.318   1.151
  140   2HD1  ILE  15          2HD1      ILE  15   9.262  -1.773   2.092
  141   3HD1  ILE  15          3HD1      ILE  15   7.599  -1.234   1.852
  142    HA   PRO  16           HA       PRO  16   9.270  -6.150   3.756
  143   1HB   PRO  16          2HB       PRO  16  11.481  -7.628   4.266
  144   2HB   PRO  16          1HB       PRO  16  10.121  -8.233   3.314
  145   1HG   PRO  16          2HG       PRO  16  12.751  -7.157   2.391
  146   2HG   PRO  16          1HG       PRO  16  11.822  -8.532   1.773
  147   1HD   PRO  16          2HD       PRO  16  11.854  -6.073   0.584
  148   2HD   PRO  16          1HD       PRO  16  10.492  -7.203   0.463
  149    H    LYS  17           H        LYS  17  12.692  -5.360   3.054
  150    HA   LYS  17           HA       LYS  17  13.011  -4.169   5.660
  151   1HB   LYS  17          2HB       LYS  17  14.777  -5.466   4.252
  152   2HB   LYS  17          1HB       LYS  17  15.016  -3.921   3.446
  153   1HG   LYS  17          2HG       LYS  17  15.758  -2.885   5.425
  154   2HG   LYS  17          1HG       LYS  17  15.189  -4.221   6.428
  155   1HD   LYS  17          2HD       LYS  17  16.854  -5.693   5.332
  156   2HD   LYS  17          1HD       LYS  17  17.459  -4.296   4.440
  157   1HE   LYS  17          2HE       LYS  17  18.884  -4.065   6.152
  158   2HE   LYS  17          1HE       LYS  17  17.504  -3.385   7.013
  159   1HZ   LYS  17          1HZ       LYS  17  17.135  -5.986   7.446
  160   2HZ   LYS  17          2HZ       LYS  17  18.015  -4.985   8.487
  161   3HZ   LYS  17          3HZ       LYS  17  18.824  -5.946   7.356
  162    H    GLY  18           H        GLY  18  12.317  -3.116   2.449
  163   1HA   GLY  18          2HA       GLY  18  13.069  -0.381   2.814
  164   2HA   GLY  18          1HA       GLY  18  12.073  -1.020   1.515
  165    H    GLY  19           H        GLY  19  10.871   0.997   1.834
  166   1HA   GLY  19          2HA       GLY  19   8.415   0.975   2.618
  167   2HA   GLY  19          1HA       GLY  19   9.145   0.964   4.216
  168    H    ARG  20           H        ARG  20   7.388   2.959   3.346
  169    HA   ARG  20           HA       ARG  20   8.727   5.278   4.097
  170   1HB   ARG  20          2HB       ARG  20   8.915   4.646   1.245
  171   2HB   ARG  20          1HB       ARG  20   8.240   6.239   1.552
  172   1HG   ARG  20          2HG       ARG  20  10.194   7.071   2.296
  173   2HG   ARG  20          1HG       ARG  20  10.663   5.562   3.083
  174   1HD   ARG  20          2HD       ARG  20  11.439   4.630   1.066
  175   2HD   ARG  20          1HD       ARG  20  10.623   5.852   0.094
  176    HE   ARG  20           HE       ARG  20  12.558   7.030   1.808
  177   1HH1  ARG  20          1HH1      ARG  20  12.222   5.214  -1.155
  178   2HH1  ARG  20          2HH1      ARG  20  13.694   5.819  -1.840
  179   1HH2  ARG  20          1HH2      ARG  20  14.495   7.825   0.907
  180   2HH2  ARG  20          2HH2      ARG  20  14.983   7.300  -0.669
  181    H    MET  21           H        MET  21   6.527   5.200   1.348
  182    HA   MET  21           HA       MET  21   4.037   5.115   2.346
  183   1HB   MET  21          2HB       MET  21   3.838   6.773   3.864
  184   2HB   MET  21          1HB       MET  21   5.378   7.479   3.399
  185   1HG   MET  21          2HG       MET  21   4.326   8.706   1.611
  186   2HG   MET  21          1HG       MET  21   2.783   7.926   1.942
  187   1HE   MET  21          1HE       MET  21   5.049  10.636   2.340
  188   2HE   MET  21          2HE       MET  21   5.490  10.388   4.030
  189   3HE   MET  21          3HE       MET  21   4.400  11.701   3.585
  190    H    LEU  22           H        LEU  22   2.578   5.479   0.677
  191    HA   LEU  22           HA       LEU  22   2.719   7.434  -1.259
  192   1HB   LEU  22          2HB       LEU  22   4.750   6.753  -2.117
  193   2HB   LEU  22          1HB       LEU  22   4.413   5.058  -1.852
  194    HG   LEU  22           HG       LEU  22   2.744   6.454  -3.869
  195   1HD1  LEU  22          1HD1      LEU  22   4.604   7.343  -4.803
  196   2HD1  LEU  22          2HD1      LEU  22   4.740   5.717  -5.472
  197   3HD1  LEU  22          3HD1      LEU  22   5.681   6.168  -4.051
  198   1HD2  LEU  22          1HD2      LEU  22   3.432   4.185  -5.014
  199   2HD2  LEU  22          2HD2      LEU  22   2.187   4.238  -3.766
  200   3HD2  LEU  22          3HD2      LEU  22   3.825   3.730  -3.356
  201    HA   PRO  23           HA       PRO  23  -0.165   4.055  -2.827
  202   1HB   PRO  23          2HB       PRO  23   0.099   1.554  -1.533
  203   2HB   PRO  23          1HB       PRO  23   0.657   1.995  -3.146
  204   1HG   PRO  23          2HG       PRO  23   2.306   1.368  -0.999
  205   2HG   PRO  23          1HG       PRO  23   2.809   2.266  -2.444
  206   1HD   PRO  23          2HD       PRO  23   1.945   3.307   0.232
  207   2HD   PRO  23          1HD       PRO  23   3.293   3.854  -0.799
  208    H    GLN  24           H        GLN  24   0.294   3.683   0.647
  209    HA   GLN  24           HA       GLN  24  -2.424   2.937   1.143
  210   1HB   GLN  24          2HB       GLN  24  -0.943   4.135   3.389
  211   2HB   GLN  24          1HB       GLN  24  -1.814   2.613   3.298
  212   1HG   GLN  24          2HG       GLN  24   0.133   1.691   2.012
  213   2HG   GLN  24          1HG       GLN  24   0.997   3.178   2.405
  214   1HE2  GLN  24          1HE2      GLN  24   2.540   2.273   3.684
  215   2HE2  GLN  24          2HE2      GLN  24   2.208   1.529   5.207
  216    H    LEU  25           H        LEU  25  -0.669   5.926   1.009
  217    HA   LEU  25           HA       LEU  25  -2.812   7.437   2.183
  218   1HB   LEU  25          2HB       LEU  25  -0.362   8.377   0.686
  219   2HB   LEU  25          1HB       LEU  25  -1.467   9.421   1.558
  220    HG   LEU  25           HG       LEU  25   0.499   9.097   2.883
  221   1HD1  LEU  25          1HD1      LEU  25  -1.460   7.284   4.213
  222   2HD1  LEU  25          2HD1      LEU  25  -1.894   8.964   3.889
  223   3HD1  LEU  25          3HD1      LEU  25  -0.494   8.592   4.897
  224   1HD2  LEU  25          1HD2      LEU  25   0.044   6.163   3.119
  225   2HD2  LEU  25          2HD2      LEU  25   1.521   7.098   3.353
  226   3HD2  LEU  25          3HD2      LEU  25   0.922   6.790   1.724
  227    H    VAL  26           H        VAL  26  -1.645   6.671  -0.992
  228    HA   VAL  26           HA       VAL  26  -3.594   8.373  -2.305
  229    HB   VAL  26           HB       VAL  26  -1.862   6.201  -3.465
  230   1HG1  VAL  26          1HG1      VAL  26  -2.385   7.060  -5.611
  231   2HG1  VAL  26          2HG1      VAL  26  -3.172   8.481  -4.922
  232   3HG1  VAL  26          3HG1      VAL  26  -3.916   6.892  -4.752
  233   1HG2  VAL  26          1HG2      VAL  26  -0.767   8.280  -2.341
  234   2HG2  VAL  26          2HG2      VAL  26  -1.298   9.114  -3.802
  235   3HG2  VAL  26          3HG2      VAL  26  -0.201   7.739  -3.921
  236    H    CYS  27           H        CYS  27  -3.003   5.079  -1.437
  237    HA   CYS  27           HA       CYS  27  -5.142   3.821  -2.717
  238   1HB   CYS  27          2HB       CYS  27  -3.892   2.170  -1.827
  239   2HB   CYS  27          1HB       CYS  27  -3.247   3.179  -0.553
  240    H    ARG  28           H        ARG  28  -4.801   4.944   0.602
  241    HA   ARG  28           HA       ARG  28  -7.462   4.443   1.207
  242   1HB   ARG  28          2HB       ARG  28  -5.407   6.213   2.510
  243   2HB   ARG  28          1HB       ARG  28  -7.030   6.023   3.165
  244   1HG   ARG  28          2HG       ARG  28  -6.659   3.878   3.842
  245   2HG   ARG  28          1HG       ARG  28  -5.499   3.537   2.567
  246   1HD   ARG  28          2HD       ARG  28  -4.841   3.915   5.157
  247   2HD   ARG  28          1HD       ARG  28  -3.750   4.252   3.815
  248    HE   ARG  28           HE       ARG  28  -3.866   6.465   4.359
  249   1HH1  ARG  28          1HH1      ARG  28  -6.641   4.851   5.724
  250   2HH1  ARG  28          2HH1      ARG  28  -7.194   6.252   6.578
  251   1HH2  ARG  28          1HH2      ARG  28  -4.595   8.313   5.481
  252   2HH2  ARG  28          2HH2      ARG  28  -6.034   8.216   6.440
  253    H    LEU  29           H        LEU  29  -5.884   7.044  -0.404
  254    HA   LEU  29           HA       LEU  29  -7.898   9.017  -0.130
  255   1HB   LEU  29          2HB       LEU  29  -5.643   8.524  -2.013
  256   2HB   LEU  29          1HB       LEU  29  -6.890   9.649  -2.516
  257    HG   LEU  29           HG       LEU  29  -5.499   9.932   0.130
  258   1HD1  LEU  29          1HD1      LEU  29  -4.306  10.214  -2.454
  259   2HD1  LEU  29          2HD1      LEU  29  -3.599  10.499  -0.863
  260   3HD1  LEU  29          3HD1      LEU  29  -4.444  11.801  -1.697
  261   1HD2  LEU  29          1HD2      LEU  29  -7.184  11.430   0.245
  262   2HD2  LEU  29          2HD2      LEU  29  -7.390  11.494  -1.505
  263   3HD2  LEU  29          3HD2      LEU  29  -6.097  12.414  -0.734
  264    H    VAL  30           H        VAL  30  -7.559   6.131  -1.959
  265    HA   VAL  30           HA       VAL  30  -9.831   6.702  -3.682
  266    HB   VAL  30           HB       VAL  30  -7.949   4.350  -3.488
  267   1HG1  VAL  30          1HG1      VAL  30  -9.954   3.279  -4.010
  268   2HG1  VAL  30          2HG1      VAL  30  -9.202   3.560  -5.580
  269   3HG1  VAL  30          3HG1      VAL  30 -10.509   4.608  -5.028
  270   1HG2  VAL  30          1HG2      VAL  30  -6.902   6.058  -4.682
  271   2HG2  VAL  30          2HG2      VAL  30  -8.399   6.549  -5.477
  272   3HG2  VAL  30          3HG2      VAL  30  -7.606   5.041  -5.940
  273    H    LEU  31           H        LEU  31  -8.974   4.984  -0.794
  274    HA   LEU  31           HA       LEU  31 -11.046   3.153  -0.555
  275   1HB   LEU  31          2HB       LEU  31  -9.533   2.886   1.138
  276   2HB   LEU  31          1HB       LEU  31  -9.302   4.609   1.347
  277    HG   LEU  31           HG       LEU  31 -11.870   3.343   2.223
  278   1HD1  LEU  31          1HD1      LEU  31 -10.698   1.988   3.573
  279   2HD1  LEU  31          2HD1      LEU  31 -10.434   3.452   4.520
  280   3HD1  LEU  31          3HD1      LEU  31  -9.207   2.909   3.375
  281   1HD2  LEU  31          1HD2      LEU  31 -12.236   5.297   3.268
  282   2HD2  LEU  31          2HD2      LEU  31 -11.013   5.923   2.162
  283   3HD2  LEU  31          3HD2      LEU  31 -10.560   5.443   3.798
  284    H    ARG  32           H        ARG  32 -11.023   6.589  -0.243
  285    HA   ARG  32           HA       ARG  32 -13.388   7.029   1.178
  286   1HB   ARG  32          2HB       ARG  32 -11.762   8.801   0.589
  287   2HB   ARG  32          1HB       ARG  32 -12.248   8.673  -1.096
  288   1HG   ARG  32          2HG       ARG  32 -14.455   9.157   0.770
  289   2HG   ARG  32          1HG       ARG  32 -13.257  10.450   0.690
  290   1HD   ARG  32          2HD       ARG  32 -14.308  11.168  -1.138
  291   2HD   ARG  32          1HD       ARG  32 -13.685   9.738  -1.961
  292    HE   ARG  32           HE       ARG  32 -15.823   8.985  -2.062
  293   1HH1  ARG  32          1HH1      ARG  32 -15.577  11.134   0.677
  294   2HH1  ARG  32          2HH1      ARG  32 -17.253  10.997   1.092
  295   1HH2  ARG  32          1HH2      ARG  32 -18.023   8.798  -1.515
  296   2HH2  ARG  32          2HH2      ARG  32 -18.641   9.671  -0.152
  297    H    CYS  33           H        CYS  33 -12.865   5.712  -1.919
  298    HA   CYS  33           HA       CYS  33 -14.982   6.396  -3.452
  299   1HB   CYS  33          2HB       CYS  33 -13.656   4.916  -4.567
  300   2HB   CYS  33          1HB       CYS  33 -13.352   3.949  -3.133
  301    H    SER  34           H        SER  34 -17.124   5.888  -3.642
  302    HA   SER  34           HA       SER  34 -18.585   3.882  -2.517
  303   1HB   SER  34          2HB       SER  34 -18.090   4.399  -0.286
  304   2HB   SER  34          1HB       SER  34 -18.142   6.138  -0.576
  305    HG   SER  34           HG       SER  34 -20.294   6.111  -0.477
  Start of MODEL   10
    1   1H    CYS   1          1HT       CYS   1 -14.489  -1.062  -2.892
    2   2H    CYS   1          2HT       CYS   1 -15.203   0.079  -3.957
    3   3H    CYS   1          3HT       CYS   1 -15.740  -0.036  -2.331
    4    HA   CYS   1           HA       CYS   1 -13.083   0.833  -3.253
    5   1HB   CYS   1          2HB       CYS   1 -15.574   2.176  -3.020
    6   2HB   CYS   1          1HB       CYS   1 -14.571   2.739  -1.689
    7    H    TRP   2           H        TRP   2 -12.720  -1.177  -1.686
    8    HA   TRP   2           HA       TRP   2 -11.772  -0.062   0.772
    9   1HB   TRP   2          2HB       TRP   2 -13.114  -1.886   2.115
   10   2HB   TRP   2          1HB       TRP   2 -13.830  -0.318   1.765
   11    HD1  TRP   2           HD       TRP   2 -13.678  -3.636  -0.263
   12    HE1  TRP   2           1HE      TRP   2 -16.058  -4.166  -1.081
   13    HE3  TRP   2           3HE      TRP   2 -16.156   0.339   1.796
   14    HZ2  TRP   2           2HZ      TRP   2 -18.641  -3.054  -0.882
   15    HZ3  TRP   2           3HZ      TRP   2 -18.583   0.530   1.431
   16    HH2  TRP   2           HH       TRP   2 -19.797  -1.133   0.119
   17    H    LEU   3           H        LEU   3 -11.133  -1.931  -1.655
   18    HA   LEU   3           HA       LEU   3 -10.099  -4.270  -0.263
   19   1HB   LEU   3          2HB       LEU   3  -9.736  -3.576  -3.169
   20   2HB   LEU   3          1HB       LEU   3  -9.594  -5.153  -2.416
   21    HG   LEU   3           HG       LEU   3 -12.152  -3.591  -2.781
   22   1HD1  LEU   3          1HD1      LEU   3 -10.840  -5.807  -4.272
   23   2HD1  LEU   3          2HD1      LEU   3 -11.753  -4.424  -4.875
   24   3HD1  LEU   3          3HD1      LEU   3 -12.599  -5.789  -4.146
   25   1HD2  LEU   3          1HD2      LEU   3 -13.260  -5.588  -1.920
   26   2HD2  LEU   3          2HD2      LEU   3 -12.172  -4.895  -0.716
   27   3HD2  LEU   3          3HD2      LEU   3 -11.692  -6.335  -1.615
   28    H    CYS   4           H        CYS   4  -9.080  -1.199  -0.580
   29    HA   CYS   4           HA       CYS   4  -6.489  -1.299  -1.542
   30   1HB   CYS   4          2HB       CYS   4  -8.115   0.576  -0.170
   31   2HB   CYS   4          1HB       CYS   4  -6.566   0.509   0.668
   32    H    ARG   5           H        ARG   5  -7.581  -1.711   1.821
   33    HA   ARG   5           HA       ARG   5  -5.341  -2.039   3.238
   34   1HB   ARG   5          2HB       ARG   5  -6.463  -3.805   4.555
   35   2HB   ARG   5          1HB       ARG   5  -7.527  -2.449   4.205
   36   1HG   ARG   5          2HG       ARG   5  -8.294  -3.897   2.195
   37   2HG   ARG   5          1HG       ARG   5  -7.585  -5.226   3.115
   38   1HD   ARG   5          2HD       ARG   5  -9.144  -5.085   4.785
   39   2HD   ARG   5          1HD       ARG   5  -9.425  -3.365   4.524
   40    HE   ARG   5           HE       ARG   5 -10.418  -4.471   2.278
   41   1HH1  ARG   5          1HH1      ARG   5 -10.919  -5.172   5.663
   42   2HH1  ARG   5          2HH1      ARG   5 -12.544  -5.724   5.434
   43   1HH2  ARG   5          1HH2      ARG   5 -12.549  -5.198   1.976
   44   2HH2  ARG   5          2HH2      ARG   5 -13.471  -5.740   3.338
   45    H    ALA   6           H        ALA   6  -6.698  -4.656   1.220
   46    HA   ALA   6           HA       ALA   6  -4.566  -6.465   1.640
   47   1HB   ALA   6          1HB       ALA   6  -6.900  -6.301  -0.162
   48   2HB   ALA   6          2HB       ALA   6  -6.336  -7.630   0.852
   49   3HB   ALA   6          3HB       ALA   6  -5.562  -7.316  -0.701
   50    H    LEU   7           H        LEU   7  -5.108  -3.889  -0.666
   51    HA   LEU   7           HA       LEU   7  -2.955  -4.603  -2.409
   52   1HB   LEU   7          2HB       LEU   7  -4.810  -3.313  -3.257
   53   2HB   LEU   7          1HB       LEU   7  -4.529  -2.053  -2.070
   54    HG   LEU   7           HG       LEU   7  -2.175  -2.512  -3.709
   55   1HD1  LEU   7          1HD1      LEU   7  -4.018  -3.139  -5.315
   56   2HD1  LEU   7          2HD1      LEU   7  -2.980  -1.806  -5.817
   57   3HD1  LEU   7          3HD1      LEU   7  -4.588  -1.477  -5.173
   58   1HD2  LEU   7          1HD2      LEU   7  -2.098  -0.504  -2.641
   59   2HD2  LEU   7          2HD2      LEU   7  -3.842  -0.263  -2.735
   60   3HD2  LEU   7          3HD2      LEU   7  -2.835   0.026  -4.154
   61    H    ILE   8           H        ILE   8  -3.339  -2.445   0.365
   62    HA   ILE   8           HA       ILE   8  -0.843  -1.190   0.037
   63    HB   ILE   8           HB       ILE   8  -1.082  -0.368   2.320
   64   1HG1  ILE   8          2HG1      ILE   8  -3.674  -1.855   2.559
   65   2HG1  ILE   8          1HG1      ILE   8  -2.170  -2.609   3.068
   66   1HG2  ILE   8          1HG2      ILE   8  -2.920   1.030   1.923
   67   2HG2  ILE   8          2HG2      ILE   8  -3.803  -0.221   1.051
   68   3HG2  ILE   8          3HG2      ILE   8  -2.401   0.547   0.307
   69   1HD1  ILE   8          1HD1      ILE   8  -3.096   0.058   4.091
   70   2HD1  ILE   8          2HD1      ILE   8  -1.810  -0.967   4.729
   71   3HD1  ILE   8          3HD1      ILE   8  -3.493  -1.473   4.872
   72    H    LYS   9           H        LYS   9  -1.806  -4.249   1.243
   73    HA   LYS   9           HA       LYS   9   0.594  -4.719   2.705
   74   1HB   LYS   9          2HB       LYS   9  -0.477  -7.193   1.773
   75   2HB   LYS   9          1HB       LYS   9  -0.364  -6.581   3.405
   76   1HG   LYS   9          2HG       LYS   9  -2.526  -5.486   1.797
   77   2HG   LYS   9          1HG       LYS   9  -2.650  -7.200   2.168
   78   1HD   LYS   9          2HD       LYS   9  -3.756  -5.873   3.894
   79   2HD   LYS   9          1HD       LYS   9  -2.360  -6.740   4.533
   80   1HE   LYS   9          2HE       LYS   9  -1.354  -4.283   3.720
   81   2HE   LYS   9          1HE       LYS   9  -2.898  -3.906   4.477
   82   1HZ   LYS   9          1HZ       LYS   9  -2.171  -4.550   6.493
   83   2HZ   LYS   9          2HZ       LYS   9  -0.651  -4.195   5.843
   84   3HZ   LYS   9          3HZ       LYS   9  -1.197  -5.795   5.887
   85    H    ARG  10           H        ARG  10  -0.680  -5.169  -0.475
   86    HA   ARG  10           HA       ARG  10   1.260  -6.805  -1.548
   87   1HB   ARG  10          2HB       ARG  10  -0.139  -4.502  -2.932
   88   2HB   ARG  10          1HB       ARG  10   0.712  -5.809  -3.737
   89   1HG   ARG  10          2HG       ARG  10  -1.790  -6.060  -2.085
   90   2HG   ARG  10          1HG       ARG  10  -1.668  -6.181  -3.839
   91   1HD   ARG  10          2HD       ARG  10  -1.296  -8.354  -3.632
   92   2HD   ARG  10          1HD       ARG  10   0.198  -7.994  -2.770
   93    HE   ARG  10           HE       ARG  10  -1.887  -7.813  -0.935
   94   1HH1  ARG  10          1HH1      ARG  10  -0.363 -10.234  -2.928
   95   2HH1  ARG  10          2HH1      ARG  10  -0.711 -11.534  -1.839
   96   1HH2  ARG  10          1HH2      ARG  10  -2.359  -9.532   0.502
   97   2HH2  ARG  10          2HH2      ARG  10  -1.848 -11.138   0.103
   98    H    ILE  11           H        ILE  11   1.207  -3.552  -0.507
   99    HA   ILE  11           HA       ILE  11   3.556  -2.657  -1.842
  100    HB   ILE  11           HB       ILE  11   1.762  -1.584   0.202
  101   1HG1  ILE  11          2HG1      ILE  11   2.054  -0.842  -2.200
  102   2HG1  ILE  11          1HG1      ILE  11   2.058   0.441  -0.998
  103   1HG2  ILE  11          1HG2      ILE  11   3.656  -1.682   1.652
  104   2HG2  ILE  11          2HG2      ILE  11   3.457  -0.003   1.134
  105   3HG2  ILE  11          3HG2      ILE  11   4.708  -1.014   0.404
  106   1HD1  ILE  11          1HD1      ILE  11   4.627  -0.741  -1.955
  107   2HD1  ILE  11          2HD1      ILE  11   4.316   0.851  -1.262
  108   3HD1  ILE  11          3HD1      ILE  11   3.788   0.485  -2.904
  109    H    GLN  12           H        GLN  12   2.864  -3.950   1.422
  110    HA   GLN  12           HA       GLN  12   5.570  -3.958   2.311
  111   1HB   GLN  12          2HB       GLN  12   4.217  -6.376   3.154
  112   2HB   GLN  12          1HB       GLN  12   4.784  -5.032   4.128
  113   1HG   GLN  12          2HG       GLN  12   2.332  -4.535   2.648
  114   2HG   GLN  12          1HG       GLN  12   2.246  -5.822   3.844
  115   1HE2  GLN  12          1HE2      GLN  12   4.369  -3.045   3.979
  116   2HE2  GLN  12          2HE2      GLN  12   3.621  -2.287   5.356
  117    H    ALA  13           H        ALA  13   3.601  -6.136   0.435
  118    HA   ALA  13           HA       ALA  13   5.229  -8.278   0.246
  119   1HB   ALA  13          1HB       ALA  13   3.945  -8.984  -1.521
  120   2HB   ALA  13          2HB       ALA  13   3.953  -7.398  -2.288
  121   3HB   ALA  13          3HB       ALA  13   2.902  -7.702  -0.903
  122    H    MET  14           H        MET  14   5.452  -5.155  -1.175
  123    HA   MET  14           HA       MET  14   7.413  -5.529  -3.128
  124   1HB   MET  14          2HB       MET  14   5.963  -3.415  -2.356
  125   2HB   MET  14          1HB       MET  14   7.448  -3.034  -1.494
  126   1HG   MET  14          2HG       MET  14   7.830  -3.774  -4.292
  127   2HG   MET  14          1HG       MET  14   6.864  -2.324  -4.052
  128   1HE   MET  14          1HE       MET  14   9.196   0.117  -2.264
  129   2HE   MET  14          2HE       MET  14   8.329  -1.065  -1.283
  130   3HE   MET  14          3HE       MET  14   7.544  -0.338  -2.684
  131    H    ILE  15           H        ILE  15   7.738  -4.553   0.331
  132    HA   ILE  15           HA       ILE  15   9.856  -6.158   0.973
  133    HB   ILE  15           HB       ILE  15  11.740  -4.326   0.954
  134   1HG1  ILE  15          2HG1      ILE  15  11.779  -2.957  -1.030
  135   2HG1  ILE  15          1HG1      ILE  15  10.257  -3.637  -1.588
  136   1HG2  ILE  15          1HG2      ILE  15  12.698  -5.922  -0.226
  137   2HG2  ILE  15          2HG2      ILE  15  11.848  -5.384  -1.674
  138   3HG2  ILE  15          3HG2      ILE  15  11.112  -6.588  -0.616
  139   1HD1  ILE  15          1HD1      ILE  15  10.176  -1.330  -0.561
  140   2HD1  ILE  15          2HD1      ILE  15  10.488  -2.119   0.987
  141   3HD1  ILE  15          3HD1      ILE  15   9.034  -2.515   0.073
  142    HA   PRO  16           HA       PRO  16   9.184  -3.949   4.742
  143   1HB   PRO  16          2HB       PRO  16  10.758  -5.398   6.341
  144   2HB   PRO  16          1HB       PRO  16   9.317  -6.100   5.598
  145   1HG   PRO  16          2HG       PRO  16  12.181  -6.468   4.893
  146   2HG   PRO  16          1HG       PRO  16  10.835  -7.613   4.773
  147   1HD   PRO  16          2HD       PRO  16  11.922  -6.056   2.680
  148   2HD   PRO  16          1HD       PRO  16  10.422  -7.002   2.634
  149    H    LYS  17           H        LYS  17  12.601  -4.681   3.950
  150    HA   LYS  17           HA       LYS  17  13.686  -2.639   5.585
  151   1HB   LYS  17          2HB       LYS  17  14.726  -4.429   3.440
  152   2HB   LYS  17          1HB       LYS  17  15.674  -3.006   3.849
  153   1HG   LYS  17          2HG       LYS  17  15.312  -3.907   6.306
  154   2HG   LYS  17          1HG       LYS  17  15.108  -5.437   5.453
  155   1HD   LYS  17          2HD       LYS  17  17.314  -5.628   5.247
  156   2HD   LYS  17          1HD       LYS  17  17.370  -4.107   4.355
  157   1HE   LYS  17          2HE       LYS  17  18.574  -3.307   6.055
  158   2HE   LYS  17          1HE       LYS  17  17.075  -3.306   6.983
  159   1HZ   LYS  17          1HZ       LYS  17  17.601  -5.386   7.924
  160   2HZ   LYS  17          2HZ       LYS  17  19.018  -4.470   8.031
  161   3HZ   LYS  17          3HZ       LYS  17  18.869  -5.661   6.839
  162    H    GLY  18           H        GLY  18  12.433  -2.728   2.362
  163   1HA   GLY  18          2HA       GLY  18  13.580  -0.258   1.478
  164   2HA   GLY  18          1HA       GLY  18  12.260  -1.130   0.710
  165    H    GLY  19           H        GLY  19  13.001   1.739   2.062
  166   1HA   GLY  19          2HA       GLY  19  10.181   2.255   2.683
  167   2HA   GLY  19          1HA       GLY  19  11.386   2.671   3.888
  168    H    ARG  20           H        ARG  20   9.448   4.089   1.857
  169    HA   ARG  20           HA       ARG  20  10.672   6.555   1.791
  170   1HB   ARG  20          2HB       ARG  20  11.746   4.806  -0.221
  171   2HB   ARG  20          1HB       ARG  20  10.874   6.117  -1.004
  172   1HG   ARG  20          2HG       ARG  20  12.195   7.735   0.316
  173   2HG   ARG  20          1HG       ARG  20  13.120   6.388   0.982
  174   1HD   ARG  20          2HD       ARG  20  12.928   6.428  -1.949
  175   2HD   ARG  20          1HD       ARG  20  13.802   7.788  -1.247
  176    HE   ARG  20           HE       ARG  20  14.667   5.320  -0.133
  177   1HH1  ARG  20          1HH1      ARG  20  14.955   7.335  -2.970
  178   2HH1  ARG  20          2HH1      ARG  20  16.510   6.713  -3.407
  179   1HH2  ARG  20          1HH2      ARG  20  16.716   4.506  -0.706
  180   2HH2  ARG  20          2HH2      ARG  20  17.510   5.109  -2.124
  181    H    MET  21           H        MET  21   8.278   6.330   2.418
  182    HA   MET  21           HA       MET  21   6.118   6.955   2.020
  183   1HB   MET  21          2HB       MET  21   6.170   8.832   0.790
  184   2HB   MET  21          1HB       MET  21   7.649   8.314  -0.012
  185   1HG   MET  21          2HG       MET  21   6.270   6.979  -1.592
  186   2HG   MET  21          1HG       MET  21   4.825   7.637  -0.833
  187   1HE   MET  21          1HE       MET  21   8.240   8.684  -2.345
  188   2HE   MET  21          2HE       MET  21   7.994   9.997  -1.194
  189   3HE   MET  21          3HE       MET  21   7.937  10.321  -2.926
  190    H    LEU  22           H        LEU  22   4.199   6.449   0.582
  191    HA   LEU  22           HA       LEU  22   4.622   4.398  -1.364
  192   1HB   LEU  22          2HB       LEU  22   2.721   3.456   0.635
  193   2HB   LEU  22          1HB       LEU  22   3.912   2.611  -0.320
  194    HG   LEU  22           HG       LEU  22   4.900   4.269   1.943
  195   1HD1  LEU  22          1HD1      LEU  22   4.583   2.089   3.333
  196   2HD1  LEU  22          2HD1      LEU  22   3.239   1.813   2.224
  197   3HD1  LEU  22          3HD1      LEU  22   3.279   3.272   3.215
  198   1HD2  LEU  22          1HD2      LEU  22   6.023   2.490   0.144
  199   2HD2  LEU  22          2HD2      LEU  22   5.895   1.560   1.636
  200   3HD2  LEU  22          3HD2      LEU  22   6.767   3.092   1.626
  201    HA   PRO  23           HA       PRO  23   0.605   5.622  -2.705
  202   1HB   PRO  23          2HB       PRO  23  -0.462   3.401  -3.699
  203   2HB   PRO  23          1HB       PRO  23   1.036   4.072  -4.344
  204   1HG   PRO  23          2HG       PRO  23   0.619   1.691  -2.655
  205   2HG   PRO  23          1HG       PRO  23   1.894   2.027  -3.837
  206   1HD   PRO  23          2HD       PRO  23   2.015   2.332  -1.012
  207   2HD   PRO  23          1HD       PRO  23   3.242   2.770  -2.183
  208    H    GLN  24           H        GLN  24   0.529   3.048  -0.378
  209    HA   GLN  24           HA       GLN  24  -2.126   2.615   0.079
  210   1HB   GLN  24          2HB       GLN  24  -1.424   2.471   2.579
  211   2HB   GLN  24          1HB       GLN  24  -0.737   1.339   1.424
  212   1HG   GLN  24          2HG       GLN  24   0.897   2.248   3.032
  213   2HG   GLN  24          1HG       GLN  24   1.312   2.543   1.347
  214   1HE2  GLN  24          1HE2      GLN  24  -0.863   4.199   3.608
  215   2HE2  GLN  24          2HE2      GLN  24  -0.122   5.752   3.452
  216    H    LEU  25           H        LEU  25  -0.423   5.560   0.455
  217    HA   LEU  25           HA       LEU  25  -2.419   6.647   2.264
  218   1HB   LEU  25          2HB       LEU  25  -1.142   8.871   1.563
  219   2HB   LEU  25          1HB       LEU  25  -0.519   7.775   2.778
  220    HG   LEU  25           HG       LEU  25   0.862   6.712   0.932
  221   1HD1  LEU  25          1HD1      LEU  25   0.307   7.313  -1.139
  222   2HD1  LEU  25          2HD1      LEU  25   1.182   8.809  -0.810
  223   3HD1  LEU  25          3HD1      LEU  25  -0.567   8.741  -0.585
  224   1HD2  LEU  25          1HD2      LEU  25   1.274   9.525   1.884
  225   2HD2  LEU  25          2HD2      LEU  25   2.476   8.689   0.902
  226   3HD2  LEU  25          3HD2      LEU  25   2.015   8.039   2.475
  227    H    VAL  26           H        VAL  26  -1.640   6.902  -1.141
  228    HA   VAL  26           HA       VAL  26  -3.876   8.709  -1.609
  229    HB   VAL  26           HB       VAL  26  -3.236   7.767  -4.100
  230   1HG1  VAL  26          1HG1      VAL  26  -3.435  10.142  -3.080
  231   2HG1  VAL  26          2HG1      VAL  26  -2.465   9.900  -4.534
  232   3HG1  VAL  26          3HG1      VAL  26  -1.678  10.048  -2.964
  233   1HG2  VAL  26          1HG2      VAL  26  -1.319   6.503  -3.041
  234   2HG2  VAL  26          2HG2      VAL  26  -0.579   8.073  -2.731
  235   3HG2  VAL  26          3HG2      VAL  26  -0.903   7.564  -4.386
  236    H    CYS  27           H        CYS  27  -3.032   5.408  -1.669
  237    HA   CYS  27           HA       CYS  27  -5.145   4.335  -3.141
  238   1HB   CYS  27          2HB       CYS  27  -3.790   2.609  -2.906
  239   2HB   CYS  27          1HB       CYS  27  -2.896   3.390  -1.629
  240    H    ARG  28           H        ARG  28  -4.583   4.626   0.317
  241    HA   ARG  28           HA       ARG  28  -7.146   3.643   0.932
  242   1HB   ARG  28          2HB       ARG  28  -5.044   5.069   2.530
  243   2HB   ARG  28          1HB       ARG  28  -6.618   4.724   3.231
  244   1HG   ARG  28          2HG       ARG  28  -6.297   2.376   2.983
  245   2HG   ARG  28          1HG       ARG  28  -4.838   2.604   2.036
  246   1HD   ARG  28          2HD       ARG  28  -5.283   2.983   4.968
  247   2HD   ARG  28          1HD       ARG  28  -4.004   2.096   4.143
  248    HE   ARG  28           HE       ARG  28  -3.356   4.517   3.398
  249   1HH1  ARG  28          1HH1      ARG  28  -4.466   3.489   6.554
  250   2HH1  ARG  28          2HH1      ARG  28  -3.654   4.770   7.389
  251   1HH2  ARG  28          1HH2      ARG  28  -2.284   6.190   4.508
  252   2HH2  ARG  28          2HH2      ARG  28  -2.418   6.297   6.232
  253    H    LEU  29           H        LEU  29  -5.932   6.738   0.049
  254    HA   LEU  29           HA       LEU  29  -8.182   8.208   1.100
  255   1HB   LEU  29          2HB       LEU  29  -5.708   8.870  -0.408
  256   2HB   LEU  29          1HB       LEU  29  -7.053   9.989  -0.520
  257    HG   LEU  29           HG       LEU  29  -5.928   9.093   2.125
  258   1HD1  LEU  29          1HD1      LEU  29  -4.164  10.164   0.750
  259   2HD1  LEU  29          2HD1      LEU  29  -4.596  11.091   2.186
  260   3HD1  LEU  29          3HD1      LEU  29  -5.194  11.588   0.603
  261   1HD2  LEU  29          1HD2      LEU  29  -7.224  10.730   3.068
  262   2HD2  LEU  29          2HD2      LEU  29  -8.260  10.225   1.733
  263   3HD2  LEU  29          3HD2      LEU  29  -7.286  11.689   1.590
  264    H    VAL  30           H        VAL  30  -7.233   6.768  -1.917
  265    HA   VAL  30           HA       VAL  30  -9.423   8.028  -3.368
  266    HB   VAL  30           HB       VAL  30  -7.331   6.054  -4.295
  267   1HG1  VAL  30          1HG1      VAL  30  -9.202   5.745  -5.710
  268   2HG1  VAL  30          2HG1      VAL  30  -8.102   6.809  -6.587
  269   3HG1  VAL  30          3HG1      VAL  30  -9.525   7.478  -5.789
  270   1HG2  VAL  30          1HG2      VAL  30  -6.947   8.655  -3.661
  271   2HG2  VAL  30          2HG2      VAL  30  -7.401   8.795  -5.360
  272   3HG2  VAL  30          3HG2      VAL  30  -6.029   7.791  -4.895
  273    H    LEU  31           H        LEU  31  -8.689   5.008  -1.833
  274    HA   LEU  31           HA       LEU  31 -10.919   3.697  -3.138
  275   1HB   LEU  31          2HB       LEU  31  -8.568   2.799  -1.817
  276   2HB   LEU  31          1HB       LEU  31  -9.958   2.112  -0.997
  277    HG   LEU  31           HG       LEU  31 -10.691   1.616  -3.516
  278   1HD1  LEU  31          1HD1      LEU  31  -7.795   2.149  -3.622
  279   2HD1  LEU  31          2HD1      LEU  31  -9.020   2.242  -4.888
  280   3HD1  LEU  31          3HD1      LEU  31  -8.343   0.680  -4.430
  281   1HD2  LEU  31          1HD2      LEU  31  -9.993  -0.630  -3.183
  282   2HD2  LEU  31          2HD2      LEU  31 -10.388   0.033  -1.595
  283   3HD2  LEU  31          3HD2      LEU  31  -8.703  -0.123  -2.093
  284    H    ARG  32           H        ARG  32 -10.281   5.438  -0.245
  285    HA   ARG  32           HA       ARG  32 -12.286   4.427   1.441
  286   1HB   ARG  32          2HB       ARG  32 -12.205   6.554   2.600
  287   2HB   ARG  32          1HB       ARG  32 -10.573   6.088   2.151
  288   1HG   ARG  32          2HG       ARG  32 -10.301   8.040   1.152
  289   2HG   ARG  32          1HG       ARG  32 -11.601   7.641   0.029
  290   1HD   ARG  32          2HD       ARG  32 -11.817   9.078   2.668
  291   2HD   ARG  32          1HD       ARG  32 -12.142   9.721   1.060
  292    HE   ARG  32           HE       ARG  32 -13.784   7.489   1.962
  293   1HH1  ARG  32          1HH1      ARG  32 -13.504  10.940   1.469
  294   2HH1  ARG  32          2HH1      ARG  32 -15.215  11.198   1.466
  295   1HH2  ARG  32          1HH2      ARG  32 -16.031   7.838   1.965
  296   2HH2  ARG  32          2HH2      ARG  32 -16.648   9.441   1.748
  297    H    CYS  33           H        CYS  33 -12.417   6.161  -1.477
  298    HA   CYS  33           HA       CYS  33 -14.496   7.740  -1.681
  299   1HB   CYS  33          2HB       CYS  33 -14.405   7.277  -3.894
  300   2HB   CYS  33          1HB       CYS  33 -13.074   6.230  -3.436
  301    H    SER  34           H        SER  34 -16.732   7.712  -1.799
  302    HA   SER  34           HA       SER  34 -18.220   5.276  -1.471
  303   1HB   SER  34          2HB       SER  34 -17.721   5.454   0.827
  304   2HB   SER  34          1HB       SER  34 -17.900   7.209   0.818
  305    HG   SER  34           HG       SER  34 -20.065   5.487   0.242
  Start of MODEL   11
    1   1H    CYS   1          1HT       CYS   1 -13.125  -2.265  -3.717
    2   2H    CYS   1          2HT       CYS   1 -14.561  -1.536  -4.310
    3   3H    CYS   1          3HT       CYS   1 -14.469  -2.047  -2.673
    4    HA   CYS   1           HA       CYS   1 -12.668  -0.029  -3.811
    5   1HB   CYS   1          2HB       CYS   1 -15.516   0.133  -3.154
    6   2HB   CYS   1          1HB       CYS   1 -14.548   1.301  -2.265
    7    H    TRP   2           H        TRP   2 -12.525  -2.328  -1.793
    8    HA   TRP   2           HA       TRP   2 -11.483  -0.675   0.390
    9   1HB   TRP   2          2HB       TRP   2 -12.361  -2.676   1.897
   10   2HB   TRP   2          1HB       TRP   2 -13.371  -1.284   1.516
   11    HD1  TRP   2           HD       TRP   2 -12.738  -4.812  -0.008
   12    HE1  TRP   2           1HE      TRP   2 -14.999  -5.725  -0.833
   13    HE3  TRP   2           3HE      TRP   2 -15.697  -0.795   1.115
   14    HZ2  TRP   2           2HZ      TRP   2 -17.681  -4.859  -0.984
   15    HZ3  TRP   2           3HZ      TRP   2 -18.099  -0.918   0.597
   16    HH2  TRP   2           HH       TRP   2 -19.069  -2.909  -0.431
   17    H    LEU   3           H        LEU   3 -10.843  -3.052  -1.834
   18    HA   LEU   3           HA       LEU   3  -9.012  -4.568  -0.153
   19   1HB   LEU   3          2HB       LEU   3  -8.496  -5.660  -2.454
   20   2HB   LEU   3          1HB       LEU   3 -10.005  -6.017  -1.637
   21    HG   LEU   3           HG       LEU   3 -10.046  -3.766  -3.569
   22   1HD1  LEU   3          1HD1      LEU   3  -9.284  -6.515  -4.289
   23   2HD1  LEU   3          2HD1      LEU   3  -9.016  -4.998  -5.146
   24   3HD1  LEU   3          3HD1      LEU   3 -10.581  -5.805  -5.250
   25   1HD2  LEU   3          1HD2      LEU   3 -11.968  -6.049  -3.375
   26   2HD2  LEU   3          2HD2      LEU   3 -12.262  -4.377  -3.852
   27   3HD2  LEU   3          3HD2      LEU   3 -11.971  -4.773  -2.157
   28    H    CYS   4           H        CYS   4  -8.873  -1.658  -1.664
   29    HA   CYS   4           HA       CYS   4  -6.509  -1.631  -3.109
   30   1HB   CYS   4          2HB       CYS   4  -8.005   0.265  -3.114
   31   2HB   CYS   4          1HB       CYS   4  -7.747   0.525  -1.394
   32    H    ARG   5           H        ARG   5  -6.832  -0.524   0.275
   33    HA   ARG   5           HA       ARG   5  -4.212  -0.119   0.853
   34   1HB   ARG   5          2HB       ARG   5  -4.773  -0.118   3.105
   35   2HB   ARG   5          1HB       ARG   5  -6.306   0.216   2.316
   36   1HG   ARG   5          2HG       ARG   5  -5.499  -2.543   3.201
   37   2HG   ARG   5          1HG       ARG   5  -6.356  -1.409   4.240
   38   1HD   ARG   5          2HD       ARG   5  -8.288  -1.529   3.021
   39   2HD   ARG   5          1HD       ARG   5  -7.451  -1.937   1.526
   40    HE   ARG   5           HE       ARG   5  -7.087  -4.181   2.566
   41   1HH1  ARG   5          1HH1      ARG   5  -9.801  -2.193   3.529
   42   2HH1  ARG   5          2HH1      ARG   5 -10.753  -3.540   4.050
   43   1HH2  ARG   5          1HH2      ARG   5  -8.341  -5.941   3.252
   44   2HH2  ARG   5          2HH2      ARG   5  -9.926  -5.668   3.894
   45    H    ALA   6           H        ALA   6  -5.866  -3.262   1.185
   46    HA   ALA   6           HA       ALA   6  -3.493  -4.587   2.062
   47   1HB   ALA   6          1HB       ALA   6  -4.934  -6.664   1.534
   48   2HB   ALA   6          2HB       ALA   6  -6.228  -5.496   1.269
   49   3HB   ALA   6          3HB       ALA   6  -5.430  -5.586   2.838
   50    H    LEU   7           H        LEU   7  -4.499  -3.575  -1.012
   51    HA   LEU   7           HA       LEU   7  -3.321  -5.762  -2.472
   52   1HB   LEU   7          2HB       LEU   7  -5.056  -4.827  -3.684
   53   2HB   LEU   7          1HB       LEU   7  -4.681  -3.196  -3.170
   54    HG   LEU   7           HG       LEU   7  -2.646  -4.458  -4.895
   55   1HD1  LEU   7          1HD1      LEU   7  -4.619  -5.344  -5.963
   56   2HD1  LEU   7          2HD1      LEU   7  -3.944  -4.045  -6.946
   57   3HD1  LEU   7          3HD1      LEU   7  -5.375  -3.750  -5.960
   58   1HD2  LEU   7          1HD2      LEU   7  -3.649  -1.812  -4.217
   59   2HD2  LEU   7          2HD2      LEU   7  -3.429  -2.025  -5.954
   60   3HD2  LEU   7          3HD2      LEU   7  -2.081  -2.301  -4.854
   61    H    ILE   8           H        ILE   8  -2.682  -2.282  -2.545
   62    HA   ILE   8           HA       ILE   8  -0.141  -2.541  -3.600
   63    HB   ILE   8           HB       ILE   8   0.227  -0.201  -2.629
   64   1HG1  ILE   8          2HG1      ILE   8  -2.027   0.903  -2.050
   65   2HG1  ILE   8          1HG1      ILE   8  -2.616  -0.726  -1.776
   66   1HG2  ILE   8          1HG2      ILE   8  -2.242  -0.151  -4.266
   67   2HG2  ILE   8          2HG2      ILE   8  -0.802  -0.924  -4.939
   68   3HG2  ILE   8          3HG2      ILE   8  -0.746   0.766  -4.437
   69   1HD1  ILE   8          1HD1      ILE   8  -1.126   0.973  -0.038
   70   2HD1  ILE   8          2HD1      ILE   8  -0.221  -0.509  -0.335
   71   3HD1  ILE   8          3HD1      ILE   8  -1.865  -0.593   0.292
   72    H    LYS   9           H        LYS   9  -1.268  -2.913  -0.416
   73    HA   LYS   9           HA       LYS   9   1.167  -2.440   0.857
   74   1HB   LYS   9          2HB       LYS   9  -0.576  -2.286   2.300
   75   2HB   LYS   9          1HB       LYS   9  -1.364  -3.691   1.602
   76   1HG   LYS   9          2HG       LYS   9  -0.540  -4.150   3.854
   77   2HG   LYS   9          1HG       LYS   9   0.219  -5.168   2.617
   78   1HD   LYS   9          2HD       LYS   9   1.692  -4.068   4.471
   79   2HD   LYS   9          1HD       LYS   9   2.259  -4.085   2.804
   80   1HE   LYS   9          2HE       LYS   9   1.476  -1.794   2.499
   81   2HE   LYS   9          1HE       LYS   9   0.868  -1.775   4.153
   82   1HZ   LYS   9          1HZ       LYS   9   2.893  -1.361   4.960
   83   2HZ   LYS   9          2HZ       LYS   9   3.335  -0.965   3.377
   84   3HZ   LYS   9          3HZ       LYS   9   3.635  -2.518   3.972
   85    H    ARG  10           H        ARG  10  -0.520  -5.504   0.259
   86    HA   ARG  10           HA       ARG  10   1.513  -7.094   1.216
   87   1HB   ARG  10          2HB       ARG  10   0.620  -8.931  -0.242
   88   2HB   ARG  10          1HB       ARG  10  -0.559  -8.175   0.814
   89   1HG   ARG  10          2HG       ARG  10  -1.642  -8.489  -1.229
   90   2HG   ARG  10          1HG       ARG  10  -1.233  -6.775  -1.176
   91   1HD   ARG  10          2HD       ARG  10   0.902  -8.316  -2.350
   92   2HD   ARG  10          1HD       ARG  10  -0.624  -8.575  -3.200
   93    HE   ARG  10           HE       ARG  10   0.092  -5.832  -2.585
   94   1HH1  ARG  10          1HH1      ARG  10   0.065  -8.395  -4.970
   95   2HH1  ARG  10          2HH1      ARG  10   0.056  -7.313  -6.321
   96   1HH2  ARG  10          1HH2      ARG  10   0.056  -4.410  -4.382
   97   2HH2  ARG  10          2HH2      ARG  10   0.055  -5.055  -5.988
   98    H    ILE  11           H        ILE  11   1.345  -5.190  -1.645
   99    HA   ILE  11           HA       ILE  11   3.417  -6.636  -2.962
  100    HB   ILE  11           HB       ILE  11   1.790  -4.437  -3.660
  101   1HG1  ILE  11          2HG1      ILE  11   4.043  -5.674  -5.254
  102   2HG1  ILE  11          1HG1      ILE  11   2.454  -6.406  -5.068
  103   1HG2  ILE  11          1HG2      ILE  11   3.587  -3.017  -2.765
  104   2HG2  ILE  11          2HG2      ILE  11   3.325  -2.786  -4.495
  105   3HG2  ILE  11          3HG2      ILE  11   4.699  -3.739  -3.927
  106   1HD1  ILE  11          1HD1      ILE  11   3.336  -4.398  -6.916
  107   2HD1  ILE  11          2HD1      ILE  11   1.969  -3.811  -5.969
  108   3HD1  ILE  11          3HD1      ILE  11   1.829  -5.312  -6.884
  109    H    GLN  12           H        GLN  12   3.191  -3.906  -0.729
  110    HA   GLN  12           HA       GLN  12   6.007  -3.379  -0.933
  111   1HB   GLN  12          2HB       GLN  12   5.143  -2.538   1.633
  112   2HB   GLN  12          1HB       GLN  12   5.518  -1.544   0.239
  113   1HG   GLN  12          2HG       GLN  12   2.856  -2.785   0.351
  114   2HG   GLN  12          1HG       GLN  12   3.208  -1.482   1.470
  115   1HE2  GLN  12          1HE2      GLN  12   4.655  -1.825  -1.689
  116   2HE2  GLN  12          2HE2      GLN  12   3.895  -0.445  -2.402
  117    H    ALA  13           H        ALA  13   3.886  -4.999   1.303
  118    HA   ALA  13           HA       ALA  13   5.609  -5.726   3.216
  119   1HB   ALA  13          1HB       ALA  13   4.151  -7.600   3.729
  120   2HB   ALA  13          2HB       ALA  13   3.425  -7.482   2.126
  121   3HB   ALA  13          3HB       ALA  13   3.199  -6.179   3.295
  122    H    MET  14           H        MET  14   5.377  -6.953  -0.020
  123    HA   MET  14           HA       MET  14   7.068  -9.237   0.517
  124   1HB   MET  14          2HB       MET  14   6.072  -8.104  -2.097
  125   2HB   MET  14          1HB       MET  14   6.906  -9.641  -1.905
  126   1HG   MET  14          2HG       MET  14   4.501  -9.198  -0.249
  127   2HG   MET  14          1HG       MET  14   4.258  -9.427  -1.979
  128   1HE   MET  14          1HE       MET  14   4.813 -12.459   1.184
  129   2HE   MET  14          2HE       MET  14   4.635 -10.709   1.305
  130   3HE   MET  14          3HE       MET  14   6.240 -11.424   1.155
  131    H    ILE  15           H        ILE  15   7.542  -5.915  -0.497
  132    HA   ILE  15           HA       ILE  15   9.865  -5.997  -1.952
  133    HB   ILE  15           HB       ILE  15  10.467  -3.857  -1.193
  134   1HG1  ILE  15          2HG1      ILE  15   8.896  -4.466   1.318
  135   2HG1  ILE  15          1HG1      ILE  15  10.632  -4.234   1.179
  136   1HG2  ILE  15          1HG2      ILE  15   7.850  -3.060  -0.631
  137   2HG2  ILE  15          2HG2      ILE  15   7.712  -4.470  -1.682
  138   3HG2  ILE  15          3HG2      ILE  15   8.662  -3.075  -2.195
  139   1HD1  ILE  15          1HD1      ILE  15   9.945  -1.877   0.293
  140   2HD1  ILE  15          2HD1      ILE  15   9.975  -2.216   2.024
  141   3HD1  ILE  15          3HD1      ILE  15   8.443  -2.223   1.150
  142    HA   PRO  16           HA       PRO  16  12.980  -7.797   0.605
  143   1HB   PRO  16          2HB       PRO  16  15.204  -6.912  -0.593
  144   2HB   PRO  16          1HB       PRO  16  14.096  -8.023  -1.409
  145   1HG   PRO  16          2HG       PRO  16  14.400  -5.067  -1.736
  146   2HG   PRO  16          1HG       PRO  16  14.129  -6.308  -2.970
  147   1HD   PRO  16          2HD       PRO  16  12.157  -4.691  -1.905
  148   2HD   PRO  16          1HD       PRO  16  11.868  -6.262  -2.678
  149    H    LYS  17           H        LYS  17  13.625  -4.350  -0.108
  150    HA   LYS  17           HA       LYS  17  13.930  -3.759   2.686
  151   1HB   LYS  17          2HB       LYS  17  16.302  -4.066   0.909
  152   2HB   LYS  17          1HB       LYS  17  16.318  -2.755   2.080
  153   1HG   LYS  17          2HG       LYS  17  15.774  -4.500   3.833
  154   2HG   LYS  17          1HG       LYS  17  16.139  -5.707   2.600
  155   1HD   LYS  17          2HD       LYS  17  18.362  -5.318   2.694
  156   2HD   LYS  17          1HD       LYS  17  18.153  -3.583   2.941
  157   1HE   LYS  17          2HE       LYS  17  18.757  -3.961   5.058
  158   2HE   LYS  17          1HE       LYS  17  17.159  -4.672   5.266
  159   1HZ   LYS  17          1HZ       LYS  17  19.173  -6.445   4.171
  160   2HZ   LYS  17          2HZ       LYS  17  17.997  -6.739   5.350
  161   3HZ   LYS  17          3HZ       LYS  17  19.438  -5.960   5.770
  162    H    GLY  18           H        GLY  18  12.081  -2.687   1.126
  163   1HA   GLY  18          2HA       GLY  18  13.113  -0.130   0.109
  164   2HA   GLY  18          1HA       GLY  18  11.516  -0.793  -0.204
  165    H    GLY  19           H        GLY  19  12.286   1.877   0.777
  166   1HA   GLY  19          2HA       GLY  19  10.304   2.112   2.814
  167   2HA   GLY  19          1HA       GLY  19  11.917   2.254   3.491
  168    H    ARG  20           H        ARG  20   9.456   4.078   2.750
  169    HA   ARG  20           HA       ARG  20  10.708   6.510   2.769
  170   1HB   ARG  20          2HB       ARG  20  11.002   5.295   0.205
  171   2HB   ARG  20          1HB       ARG  20   9.921   6.671   0.033
  172   1HG   ARG  20          2HG       ARG  20  11.583   8.124   0.243
  173   2HG   ARG  20          1HG       ARG  20  12.219   7.309   1.672
  174   1HD   ARG  20          2HD       ARG  20  12.912   5.560  -0.284
  175   2HD   ARG  20          1HD       ARG  20  13.019   7.094  -1.146
  176    HE   ARG  20           HE       ARG  20  14.334   7.086   1.415
  177   1HH1  ARG  20          1HH1      ARG  20  14.676   6.427  -1.995
  178   2HH1  ARG  20          2HH1      ARG  20  16.399   6.601  -1.982
  179   1HH2  ARG  20          1HH2      ARG  20  16.596   7.314   1.436
  180   2HH2  ARG  20          2HH2      ARG  20  17.491   7.104  -0.031
  181    H    MET  21           H        MET  21   8.294   5.692   0.305
  182    HA   MET  21           HA       MET  21   6.215   6.841   2.038
  183   1HB   MET  21          2HB       MET  21   6.386   8.613   0.572
  184   2HB   MET  21          1HB       MET  21   6.940   7.603  -0.757
  185   1HG   MET  21          2HG       MET  21   4.664   6.737  -1.051
  186   2HG   MET  21          1HG       MET  21   4.110   7.741   0.285
  187   1HE   MET  21          1HE       MET  21   5.613  10.736  -0.406
  188   2HE   MET  21          2HE       MET  21   4.162  10.140   0.401
  189   3HE   MET  21          3HE       MET  21   4.020  11.247  -0.965
  190    H    LEU  22           H        LEU  22   3.986   6.237   1.245
  191    HA   LEU  22           HA       LEU  22   4.010   3.628  -0.057
  192   1HB   LEU  22          2HB       LEU  22   2.848   4.456   2.550
  193   2HB   LEU  22          1HB       LEU  22   2.024   3.257   1.580
  194    HG   LEU  22           HG       LEU  22   4.811   3.052   2.727
  195   1HD1  LEU  22          1HD1      LEU  22   2.895   2.720   4.282
  196   2HD1  LEU  22          2HD1      LEU  22   3.934   1.306   4.095
  197   3HD1  LEU  22          3HD1      LEU  22   2.376   1.370   3.272
  198   1HD2  LEU  22          1HD2      LEU  22   4.759   2.000   0.531
  199   2HD2  LEU  22          2HD2      LEU  22   3.320   1.093   0.994
  200   3HD2  LEU  22          3HD2      LEU  22   4.853   0.785   1.806
  201    HA   PRO  23           HA       PRO  23   0.297   4.857  -2.131
  202   1HB   PRO  23          2HB       PRO  23  -0.935   2.316  -1.980
  203   2HB   PRO  23          1HB       PRO  23   0.123   2.887  -3.252
  204   1HG   PRO  23          2HG       PRO  23   0.695   0.844  -1.478
  205   2HG   PRO  23          1HG       PRO  23   1.871   1.695  -2.484
  206   1HD   PRO  23          2HD       PRO  23   1.205   2.073   0.389
  207   2HD   PRO  23          1HD       PRO  23   2.744   2.237  -0.438
  208    H    GLN  24           H        GLN  24  -0.014   3.202   0.914
  209    HA   GLN  24           HA       GLN  24  -2.704   3.192   1.395
  210   1HB   GLN  24          2HB       GLN  24  -1.979   3.672   3.838
  211   2HB   GLN  24          1HB       GLN  24  -1.416   2.205   3.058
  212   1HG   GLN  24          2HG       GLN  24   0.711   2.806   3.250
  213   2HG   GLN  24          1HG       GLN  24   0.392   4.430   2.641
  214   1HE2  GLN  24          1HE2      GLN  24   0.988   2.498   5.380
  215   2HE2  GLN  24          2HE2      GLN  24   0.876   3.741   6.575
  216    H    LEU  25           H        LEU  25  -0.719   5.941   0.968
  217    HA   LEU  25           HA       LEU  25  -2.559   7.642   2.409
  218   1HB   LEU  25          2HB       LEU  25  -1.158   9.429   0.947
  219   2HB   LEU  25          1HB       LEU  25  -0.631   8.800   2.496
  220    HG   LEU  25           HG       LEU  25   0.177   7.283   0.072
  221   1HD1  LEU  25          1HD1      LEU  25   1.852   8.729  -0.603
  222   2HD1  LEU  25          2HD1      LEU  25   1.755   9.692   0.872
  223   3HD1  LEU  25          3HD1      LEU  25   0.479   9.805  -0.342
  224   1HD2  LEU  25          1HD2      LEU  25   1.143   6.268   1.838
  225   2HD2  LEU  25          2HD2      LEU  25   1.068   7.714   2.845
  226   3HD2  LEU  25          3HD2      LEU  25   2.350   7.539   1.647
  227    H    VAL  26           H        VAL  26  -1.712   7.318  -0.983
  228    HA   VAL  26           HA       VAL  26  -3.998   8.835  -1.858
  229    HB   VAL  26           HB       VAL  26  -2.752   6.967  -3.768
  230   1HG1  VAL  26          1HG1      VAL  26  -3.826   9.718  -3.716
  231   2HG1  VAL  26          2HG1      VAL  26  -4.037   8.436  -4.909
  232   3HG1  VAL  26          3HG1      VAL  26  -2.554   9.388  -4.892
  233   1HG2  VAL  26          1HG2      VAL  26  -1.145   9.073  -2.358
  234   2HG2  VAL  26          2HG2      VAL  26  -0.774   8.594  -4.013
  235   3HG2  VAL  26          3HG2      VAL  26  -0.709   7.401  -2.715
  236    H    CYS  27           H        CYS  27  -3.221   5.568  -1.180
  237    HA   CYS  27           HA       CYS  27  -5.288   4.270  -2.583
  238   1HB   CYS  27          2HB       CYS  27  -3.396   3.016  -1.900
  239   2HB   CYS  27          1HB       CYS  27  -3.593   3.464  -0.235
  240    H    ARG  28           H        ARG  28  -4.809   5.358   0.737
  241    HA   ARG  28           HA       ARG  28  -7.337   4.365   1.455
  242   1HB   ARG  28          2HB       ARG  28  -5.245   5.899   2.844
  243   2HB   ARG  28          1HB       ARG  28  -6.877   6.173   3.428
  244   1HG   ARG  28          2HG       ARG  28  -6.423   4.397   4.721
  245   2HG   ARG  28          1HG       ARG  28  -6.891   3.489   3.289
  246   1HD   ARG  28          2HD       ARG  28  -4.888   2.512   3.933
  247   2HD   ARG  28          1HD       ARG  28  -4.403   3.634   2.666
  248    HE   ARG  28           HE       ARG  28  -3.367   4.972   4.262
  249   1HH1  ARG  28          1HH1      ARG  28  -5.053   2.315   5.788
  250   2HH1  ARG  28          2HH1      ARG  28  -4.268   2.533   7.314
  251   1HH2  ARG  28          1HH2      ARG  28  -2.339   5.252   6.275
  252   2HH2  ARG  28          2HH2      ARG  28  -2.731   4.198   7.592
  253    H    LEU  29           H        LEU  29  -6.205   7.218  -0.054
  254    HA   LEU  29           HA       LEU  29  -8.359   8.961   0.539
  255   1HB   LEU  29          2HB       LEU  29  -6.335   8.788  -1.665
  256   2HB   LEU  29          1HB       LEU  29  -7.685   9.895  -1.822
  257    HG   LEU  29           HG       LEU  29  -5.551   9.933   0.309
  258   1HD1  LEU  29          1HD1      LEU  29  -4.635  10.940  -1.560
  259   2HD1  LEU  29          2HD1      LEU  29  -5.347  12.307  -0.702
  260   3HD1  LEU  29          3HD1      LEU  29  -6.182  11.603  -2.087
  261   1HD2  LEU  29          1HD2      LEU  29  -7.265  10.700   1.580
  262   2HD2  LEU  29          2HD2      LEU  29  -8.226  11.193   0.186
  263   3HD2  LEU  29          3HD2      LEU  29  -6.887  12.201   0.735
  264    H    VAL  30           H        VAL  30  -7.811   6.375  -1.696
  265    HA   VAL  30           HA       VAL  30 -10.321   6.752  -3.091
  266    HB   VAL  30           HB       VAL  30  -8.148   4.671  -3.305
  267   1HG1  VAL  30          1HG1      VAL  30 -10.069   3.392  -3.738
  268   2HG1  VAL  30          2HG1      VAL  30  -9.483   3.877  -5.329
  269   3HG1  VAL  30          3HG1      VAL  30 -10.856   4.711  -4.603
  270   1HG2  VAL  30          1HG2      VAL  30  -7.445   6.570  -4.428
  271   2HG2  VAL  30          2HG2      VAL  30  -9.073   6.980  -4.968
  272   3HG2  VAL  30          3HG2      VAL  30  -8.210   5.632  -5.710
  273    H    LEU  31           H        LEU  31  -9.063   4.979  -0.407
  274    HA   LEU  31           HA       LEU  31 -10.814   2.838  -0.223
  275   1HB   LEU  31          2HB       LEU  31  -9.226   2.670   1.401
  276   2HB   LEU  31          1HB       LEU  31  -9.185   4.396   1.680
  277    HG   LEU  31           HG       LEU  31 -11.587   2.905   2.611
  278   1HD1  LEU  31          1HD1      LEU  31 -10.339   1.452   3.765
  279   2HD1  LEU  31          2HD1      LEU  31  -9.963   2.825   4.806
  280   3HD1  LEU  31          3HD1      LEU  31  -8.857   2.372   3.508
  281   1HD2  LEU  31          1HD2      LEU  31 -11.917   4.729   3.876
  282   2HD2  LEU  31          2HD2      LEU  31 -10.766   5.495   2.781
  283   3HD2  LEU  31          3HD2      LEU  31 -10.215   4.848   4.325
  284    H    ARG  32           H        ARG  32 -11.201   6.167   0.757
  285    HA   ARG  32           HA       ARG  32 -13.651   6.001   2.075
  286   1HB   ARG  32          2HB       ARG  32 -12.025   8.015   1.719
  287   2HB   ARG  32          1HB       ARG  32 -13.000   8.323   0.289
  288   1HG   ARG  32          2HG       ARG  32 -14.556   7.898   2.730
  289   2HG   ARG  32          1HG       ARG  32 -13.500   9.311   2.771
  290   1HD   ARG  32          2HD       ARG  32 -15.078  10.398   1.639
  291   2HD   ARG  32          1HD       ARG  32 -14.668   9.390   0.251
  292    HE   ARG  32           HE       ARG  32 -16.641   8.277   0.533
  293   1HH1  ARG  32          1HH1      ARG  32 -15.910  10.015   3.469
  294   2HH1  ARG  32          2HH1      ARG  32 -17.416   9.620   4.226
  295   1HH2  ARG  32          1HH2      ARG  32 -18.621   7.750   1.529
  296   2HH2  ARG  32          2HH2      ARG  32 -18.956   8.333   3.126
  297    H    CYS  33           H        CYS  33 -12.835   5.995  -1.280
  298    HA   CYS  33           HA       CYS  33 -14.344   6.381  -3.122
  299   1HB   CYS  33          2HB       CYS  33 -13.347   4.326  -3.459
  300   2HB   CYS  33          1HB       CYS  33 -14.089   3.607  -2.039
  301    H    SER  34           H        SER  34 -16.176   3.963  -1.278
  302    HA   SER  34           HA       SER  34 -18.671   4.624  -2.172
  303   1HB   SER  34          2HB       SER  34 -17.850   2.726  -0.545
  304   2HB   SER  34          1HB       SER  34 -18.388   3.848   0.704
  305    HG   SER  34           HG       SER  34 -20.428   3.900  -0.463
  Start of MODEL   12
    1   1H    CYS   1          1HT       CYS   1 -13.453  -0.682  -5.514
    2   2H    CYS   1          2HT       CYS   1 -13.419  -1.539  -4.028
    3   3H    CYS   1          3HT       CYS   1 -11.957  -0.996  -4.739
    4    HA   CYS   1           HA       CYS   1 -12.483   1.229  -4.357
    5   1HB   CYS   1          2HB       CYS   1 -15.142   0.184  -3.348
    6   2HB   CYS   1          1HB       CYS   1 -14.633   1.864  -3.320
    7    H    TRP   2           H        TRP   2 -11.682  -1.400  -2.818
    8    HA   TRP   2           HA       TRP   2 -10.988  -0.026  -0.404
    9   1HB   TRP   2          2HB       TRP   2 -12.120  -2.071   0.916
   10   2HB   TRP   2          1HB       TRP   2 -12.933  -0.533   0.646
   11    HD1  TRP   2           HD       TRP   2 -12.623  -3.812  -1.447
   12    HE1  TRP   2           1HE      TRP   2 -14.976  -4.392  -2.321
   13    HE3  TRP   2           3HE      TRP   2 -15.215   0.093   0.575
   14    HZ2  TRP   2           2HZ      TRP   2 -17.589  -3.324  -2.170
   15    HZ3  TRP   2           3HZ      TRP   2 -17.633   0.246   0.167
   16    HH2  TRP   2           HH       TRP   2 -18.796  -1.426  -1.179
   17    H    LEU   3           H        LEU   3  -9.505  -1.301  -2.439
   18    HA   LEU   3           HA       LEU   3  -8.564  -3.798  -1.278
   19   1HB   LEU   3          2HB       LEU   3  -6.812  -3.111  -3.343
   20   2HB   LEU   3          1HB       LEU   3  -8.101  -4.294  -3.392
   21    HG   LEU   3           HG       LEU   3  -8.716  -1.429  -4.003
   22   1HD1  LEU   3          1HD1      LEU   3  -6.667  -2.482  -5.309
   23   2HD1  LEU   3          2HD1      LEU   3  -7.871  -1.474  -6.111
   24   3HD1  LEU   3          3HD1      LEU   3  -7.969  -3.231  -6.233
   25   1HD2  LEU   3          1HD2      LEU   3  -9.906  -4.110  -4.503
   26   2HD2  LEU   3          2HD2      LEU   3 -10.198  -2.830  -5.680
   27   3HD2  LEU   3          3HD2      LEU   3 -10.682  -2.610  -3.998
   28    H    CYS   4           H        CYS   4  -8.109  -0.679  -0.555
   29    HA   CYS   4           HA       CYS   4  -5.567   0.108  -0.468
   30   1HB   CYS   4          2HB       CYS   4  -7.842   0.349   1.337
   31   2HB   CYS   4          1HB       CYS   4  -6.299   0.518   2.161
   32    H    ARG   5           H        ARG   5  -6.618  -1.315   2.549
   33    HA   ARG   5           HA       ARG   5  -4.391  -1.969   3.762
   34   1HB   ARG   5          2HB       ARG   5  -5.523  -4.297   4.336
   35   2HB   ARG   5          1HB       ARG   5  -6.158  -2.777   4.948
   36   1HG   ARG   5          2HG       ARG   5  -8.112  -3.457   4.148
   37   2HG   ARG   5          1HG       ARG   5  -7.479  -3.043   2.561
   38   1HD   ARG   5          2HD       ARG   5  -6.537  -5.455   2.566
   39   2HD   ARG   5          1HD       ARG   5  -7.703  -5.733   3.864
   40    HE   ARG   5           HE       ARG   5  -9.083  -4.483   1.823
   41   1HH1  ARG   5          1HH1      ARG   5  -7.414  -7.529   2.262
   42   2HH1  ARG   5          2HH1      ARG   5  -8.358  -8.344   1.060
   43   1HH2  ARG   5          1HH2      ARG   5 -10.294  -5.546   0.259
   44   2HH2  ARG   5          2HH2      ARG   5  -9.992  -7.216  -0.081
   45    H    ALA   6           H        ALA   6  -5.687  -4.257   1.331
   46    HA   ALA   6           HA       ALA   6  -3.294  -5.842   1.403
   47   1HB   ALA   6          1HB       ALA   6  -4.500  -6.789  -0.771
   48   2HB   ALA   6          2HB       ALA   6  -5.871  -5.957  -0.040
   49   3HB   ALA   6          3HB       ALA   6  -5.018  -7.209   0.862
   50    H    LEU   7           H        LEU   7  -3.810  -2.907   0.059
   51    HA   LEU   7           HA       LEU   7  -2.608  -3.299  -2.498
   52   1HB   LEU   7          2HB       LEU   7  -3.301  -1.207  -2.953
   53   2HB   LEU   7          1HB       LEU   7  -4.221  -1.352  -1.476
   54    HG   LEU   7           HG       LEU   7  -1.463  -0.244  -1.311
   55   1HD1  LEU   7          1HD1      LEU   7  -2.307   0.929  -3.217
   56   2HD1  LEU   7          2HD1      LEU   7  -2.283   2.001  -1.820
   57   3HD1  LEU   7          3HD1      LEU   7  -3.808   1.312  -2.371
   58   1HD2  LEU   7          1HD2      LEU   7  -3.978   0.637   0.073
   59   2HD2  LEU   7          2HD2      LEU   7  -2.310   0.967   0.532
   60   3HD2  LEU   7          3HD2      LEU   7  -2.953  -0.666   0.676
   61    H    ILE   8           H        ILE   8  -1.595  -1.589   0.460
   62    HA   ILE   8           HA       ILE   8   1.086  -1.521  -0.599
   63    HB   ILE   8           HB       ILE   8   1.760  -0.222   1.300
   64   1HG1  ILE   8          2HG1      ILE   8  -1.030  -0.259   2.414
   65   2HG1  ILE   8          1HG1      ILE   8   0.124  -1.515   2.864
   66   1HG2  ILE   8          1HG2      ILE   8   0.028   0.601  -0.655
   67   2HG2  ILE   8          2HG2      ILE   8   0.921   1.648   0.442
   68   3HG2  ILE   8          3HG2      ILE   8  -0.738   1.206   0.816
   69   1HD1  ILE   8          1HD1      ILE   8   0.981  -0.172   4.391
   70   2HD1  ILE   8          2HD1      ILE   8  -0.145   1.103   3.920
   71   3HD1  ILE   8          3HD1      ILE   8   1.426   0.977   3.129
   72    H    LYS   9           H        LYS   9  -0.683  -3.612   1.446
   73    HA   LYS   9           HA       LYS   9   1.699  -4.553   2.775
   74   1HB   LYS   9          2HB       LYS   9  -0.809  -4.636   3.536
   75   2HB   LYS   9          1HB       LYS   9  -0.753  -6.192   2.722
   76   1HG   LYS   9          2HG       LYS   9   0.022  -6.995   4.648
   77   2HG   LYS   9          1HG       LYS   9   1.545  -6.224   4.195
   78   1HD   LYS   9          2HD       LYS   9  -0.606  -5.128   5.993
   79   2HD   LYS   9          1HD       LYS   9   1.055  -5.554   6.416
   80   1HE   LYS   9          2HE       LYS   9   0.770  -3.530   4.276
   81   2HE   LYS   9          1HE       LYS   9   0.224  -3.022   5.872
   82   1HZ   LYS   9          1HZ       LYS   9   2.804  -4.372   5.749
   83   2HZ   LYS   9          2HZ       LYS   9   2.311  -3.063   6.695
   84   3HZ   LYS   9          3HZ       LYS   9   2.743  -2.822   5.077
   85    H    ARG  10           H        ARG  10  -0.483  -5.749   0.301
   86    HA   ARG  10           HA       ARG  10   1.038  -8.085  -0.193
   87   1HB   ARG  10          2HB       ARG  10  -0.767  -6.666  -2.162
   88   2HB   ARG  10          1HB       ARG  10  -0.320  -8.368  -2.167
   89   1HG   ARG  10          2HG       ARG  10  -1.835  -7.113   0.093
   90   2HG   ARG  10          1HG       ARG  10  -2.635  -7.779  -1.334
   91   1HD   ARG  10          2HD       ARG  10  -2.061  -9.153   0.918
   92   2HD   ARG  10          1HD       ARG  10  -2.316  -9.879  -0.667
   93    HE   ARG  10           HE       ARG  10   0.238  -9.494   0.701
   94   1HH1  ARG  10          1HH1      ARG  10  -1.492 -10.701  -2.091
   95   2HH1  ARG  10          2HH1      ARG  10  -0.128 -11.582  -2.691
   96   1HH2  ARG  10          1HH2      ARG  10   2.016 -10.629  -0.113
   97   2HH2  ARG  10          2HH2      ARG  10   1.855 -11.540  -1.577
   98    H    ILE  11           H        ILE  11   1.154  -4.797  -1.156
   99    HA   ILE  11           HA       ILE  11   3.017  -5.196  -3.293
  100    HB   ILE  11           HB       ILE  11   1.566  -2.962  -2.175
  101   1HG1  ILE  11          2HG1      ILE  11   2.917  -2.514  -4.717
  102   2HG1  ILE  11          1HG1      ILE  11   2.123  -4.084  -4.667
  103   1HG2  ILE  11          1HG2      ILE  11   4.469  -2.484  -2.820
  104   2HG2  ILE  11          2HG2      ILE  11   3.690  -2.284  -1.252
  105   3HG2  ILE  11          3HG2      ILE  11   3.257  -1.217  -2.591
  106   1HD1  ILE  11          1HD1      ILE  11   0.031  -3.174  -4.522
  107   2HD1  ILE  11          2HD1      ILE  11   0.854  -1.958  -5.500
  108   3HD1  ILE  11          3HD1      ILE  11   0.614  -1.688  -3.774
  109    H    GLN  12           H        GLN  12   3.148  -4.334   0.177
  110    HA   GLN  12           HA       GLN  12   5.990  -3.838   0.016
  111   1HB   GLN  12          2HB       GLN  12   5.936  -3.329   2.305
  112   2HB   GLN  12          1HB       GLN  12   4.401  -2.745   1.684
  113   1HG   GLN  12          2HG       GLN  12   3.376  -3.905   3.251
  114   2HG   GLN  12          1HG       GLN  12   3.963  -5.391   2.514
  115   1HE2  GLN  12          1HE2      GLN  12   6.628  -5.276   3.012
  116   2HE2  GLN  12          2HE2      GLN  12   6.916  -5.327   4.719
  117    H    ALA  13           H        ALA  13   4.053  -6.569   0.144
  118    HA   ALA  13           HA       ALA  13   6.018  -8.175   1.529
  119   1HB   ALA  13          1HB       ALA  13   3.447  -9.041   0.213
  120   2HB   ALA  13          2HB       ALA  13   3.606  -8.578   1.906
  121   3HB   ALA  13          3HB       ALA  13   4.445 -10.008   1.301
  122    H    MET  14           H        MET  14   4.995  -7.358  -1.651
  123    HA   MET  14           HA       MET  14   6.218  -9.532  -3.022
  124   1HB   MET  14          2HB       MET  14   5.266  -6.803  -3.868
  125   2HB   MET  14          1HB       MET  14   6.080  -7.875  -4.995
  126   1HG   MET  14          2HG       MET  14   3.807  -9.007  -3.482
  127   2HG   MET  14          1HG       MET  14   3.435  -7.794  -4.706
  128   1HE   MET  14          1HE       MET  14   3.922 -12.094  -5.231
  129   2HE   MET  14          2HE       MET  14   3.852 -11.129  -3.759
  130   3HE   MET  14          3HE       MET  14   5.415 -11.520  -4.477
  131    H    ILE  15           H        ILE  15   7.324  -6.401  -1.858
  132    HA   ILE  15           HA       ILE  15   9.760  -6.406  -3.359
  133    HB   ILE  15           HB       ILE  15  10.376  -4.474  -2.169
  134   1HG1  ILE  15          2HG1      ILE  15   8.408  -5.316  -0.038
  135   2HG1  ILE  15          1HG1      ILE  15  10.160  -5.272   0.110
  136   1HG2  ILE  15          1HG2      ILE  15   8.719  -3.136  -2.858
  137   2HG2  ILE  15          2HG2      ILE  15   7.515  -3.942  -1.853
  138   3HG2  ILE  15          3HG2      ILE  15   7.966  -4.632  -3.413
  139   1HD1  ILE  15          1HD1      ILE  15   9.651  -3.327   1.158
  140   2HD1  ILE  15          2HD1      ILE  15   8.187  -3.065   0.213
  141   3HD1  ILE  15          3HD1      ILE  15   9.765  -2.721  -0.493
  142    HA   PRO  16           HA       PRO  16  12.355  -8.909  -0.837
  143   1HB   PRO  16          2HB       PRO  16  14.722  -7.569  -0.845
  144   2HB   PRO  16          1HB       PRO  16  14.101  -8.454  -2.239
  145   1HG   PRO  16          2HG       PRO  16  14.118  -5.529  -1.703
  146   2HG   PRO  16          1HG       PRO  16  14.303  -6.396  -3.237
  147   1HD   PRO  16          2HD       PRO  16  11.994  -5.157  -2.396
  148   2HD   PRO  16          1HD       PRO  16  12.052  -6.460  -3.595
  149    H    LYS  17           H        LYS  17  13.099  -5.509  -0.008
  150    HA   LYS  17           HA       LYS  17  12.243  -5.857   2.691
  151   1HB   LYS  17          2HB       LYS  17  14.916  -6.580   2.104
  152   2HB   LYS  17          1HB       LYS  17  14.977  -5.062   2.989
  153   1HG   LYS  17          2HG       LYS  17  13.689  -6.014   4.794
  154   2HG   LYS  17          1HG       LYS  17  13.499  -7.522   3.896
  155   1HD   LYS  17          2HD       LYS  17  15.317  -8.209   4.999
  156   2HD   LYS  17          1HD       LYS  17  16.218  -7.166   3.897
  157   1HE   LYS  17          2HE       LYS  17  16.367  -5.440   5.463
  158   2HE   LYS  17          1HE       LYS  17  15.052  -6.093   6.441
  159   1HZ   LYS  17          1HZ       LYS  17  16.412  -7.627   7.413
  160   2HZ   LYS  17          2HZ       LYS  17  17.527  -6.379   7.167
  161   3HZ   LYS  17          3HZ       LYS  17  17.485  -7.695   6.106
  162    H    GLY  18           H        GLY  18  11.584  -4.055   0.638
  163   1HA   GLY  18          2HA       GLY  18  12.950  -1.559   1.115
  164   2HA   GLY  18          1HA       GLY  18  11.531  -1.798   0.106
  165    H    GLY  19           H        GLY  19  10.082  -0.355   0.813
  166   1HA   GLY  19          2HA       GLY  19   8.383  -0.569   2.809
  167   2HA   GLY  19          1HA       GLY  19   9.763   0.072   3.690
  168    H    ARG  20           H        ARG  20   9.111   2.082   4.214
  169    HA   ARG  20           HA       ARG  20   8.571   4.281   3.990
  170   1HB   ARG  20          2HB       ARG  20   9.767   3.621   1.334
  171   2HB   ARG  20          1HB       ARG  20   8.949   5.166   1.522
  172   1HG   ARG  20          2HG       ARG  20  10.673   6.041   2.607
  173   2HG   ARG  20          1HG       ARG  20  10.751   4.675   3.723
  174   1HD   ARG  20          2HD       ARG  20  12.604   3.977   2.721
  175   2HD   ARG  20          1HD       ARG  20  11.710   3.778   1.215
  176    HE   ARG  20           HE       ARG  20  12.318   6.454   1.354
  177   1HH1  ARG  20          1HH1      ARG  20  14.127   3.469   1.353
  178   2HH1  ARG  20          2HH1      ARG  20  15.519   4.168   0.597
  179   1HH2  ARG  20          1HH2      ARG  20  14.158   7.374   0.357
  180   2HH2  ARG  20          2HH2      ARG  20  15.539   6.379   0.034
  181    H    MET  21           H        MET  21   6.477   4.771   4.206
  182    HA   MET  21           HA       MET  21   4.399   3.643   2.683
  183   1HB   MET  21          2HB       MET  21   3.007   4.780   4.071
  184   2HB   MET  21          1HB       MET  21   4.479   5.055   4.991
  185   1HG   MET  21          2HG       MET  21   4.668   7.182   3.477
  186   2HG   MET  21          1HG       MET  21   2.932   6.932   3.272
  187   1HE   MET  21          1HE       MET  21   5.384   8.665   4.613
  188   2HE   MET  21          2HE       MET  21   5.372   8.704   6.377
  189   3HE   MET  21          3HE       MET  21   4.317   9.782   5.461
  190    H    LEU  22           H        LEU  22   2.762   5.382   1.593
  191    HA   LEU  22           HA       LEU  22   3.576   7.596   0.232
  192   1HB   LEU  22          2HB       LEU  22   5.400   6.569  -0.807
  193   2HB   LEU  22          1HB       LEU  22   4.533   5.067  -1.055
  194    HG   LEU  22           HG       LEU  22   3.502   7.415  -2.531
  195   1HD1  LEU  22          1HD1      LEU  22   6.073   7.497  -2.569
  196   2HD1  LEU  22          2HD1      LEU  22   5.202   7.552  -4.102
  197   3HD1  LEU  22          3HD1      LEU  22   5.954   6.048  -3.567
  198   1HD2  LEU  22          1HD2      LEU  22   2.384   5.562  -3.211
  199   2HD2  LEU  22          2HD2      LEU  22   3.720   4.483  -2.817
  200   3HD2  LEU  22          3HD2      LEU  22   3.758   5.424  -4.308
  201    HA   PRO  23           HA       PRO  23  -0.021   5.555  -2.139
  202   1HB   PRO  23          2HB       PRO  23  -0.391   2.832  -1.359
  203   2HB   PRO  23          1HB       PRO  23   0.175   3.449  -2.909
  204   1HG   PRO  23          2HG       PRO  23   1.753   2.023  -1.178
  205   2HG   PRO  23          1HG       PRO  23   2.386   3.201  -2.347
  206   1HD   PRO  23          2HD       PRO  23   1.780   3.586   0.571
  207   2HD   PRO  23          1HD       PRO  23   3.201   4.079  -0.333
  208    H    GLN  24           H        GLN  24   0.053   3.819   0.946
  209    HA   GLN  24           HA       GLN  24  -2.495   3.567   1.732
  210   1HB   GLN  24          2HB       GLN  24  -1.814   4.084   4.058
  211   2HB   GLN  24          1HB       GLN  24  -0.672   3.025   3.244
  212   1HG   GLN  24          2HG       GLN  24   0.989   4.520   3.391
  213   2HG   GLN  24          1HG       GLN  24  -0.062   5.882   3.021
  214   1HE2  GLN  24          1HE2      GLN  24   1.483   4.067   5.463
  215   2HE2  GLN  24          2HE2      GLN  24   0.923   4.977   6.819
  216    H    LEU  25           H        LEU  25  -1.097   6.719   1.126
  217    HA   LEU  25           HA       LEU  25  -3.458   7.877   2.406
  218   1HB   LEU  25          2HB       LEU  25  -2.450  10.120   1.616
  219   2HB   LEU  25          1HB       LEU  25  -1.751   9.268   2.976
  220    HG   LEU  25           HG       LEU  25  -0.121  10.336   1.408
  221   1HD1  LEU  25          1HD1      LEU  25   1.445   8.836   1.945
  222   2HD1  LEU  25          2HD1      LEU  25   0.546   7.473   1.284
  223   3HD1  LEU  25          3HD1      LEU  25   0.134   8.113   2.877
  224   1HD2  LEU  25          1HD2      LEU  25  -0.541   8.061  -0.470
  225   2HD2  LEU  25          2HD2      LEU  25   0.237   9.619  -0.733
  226   3HD2  LEU  25          3HD2      LEU  25  -1.518   9.521  -0.627
  227    H    VAL  26           H        VAL  26  -2.169   7.433  -0.796
  228    HA   VAL  26           HA       VAL  26  -4.464   8.732  -2.034
  229    HB   VAL  26           HB       VAL  26  -3.352   7.150  -3.997
  230   1HG1  VAL  26          1HG1      VAL  26  -3.201  10.007  -3.249
  231   2HG1  VAL  26          2HG1      VAL  26  -3.793   9.248  -4.728
  232   3HG1  VAL  26          3HG1      VAL  26  -2.059   9.451  -4.471
  233   1HG2  VAL  26          1HG2      VAL  26  -1.023   8.276  -2.468
  234   2HG2  VAL  26          2HG2      VAL  26  -0.985   7.323  -3.950
  235   3HG2  VAL  26          3HG2      VAL  26  -1.501   6.580  -2.440
  236    H    CYS  27           H        CYS  27  -3.443   5.798  -0.786
  237    HA   CYS  27           HA       CYS  27  -4.963   3.935  -2.147
  238   1HB   CYS  27          2HB       CYS  27  -3.734   2.634  -0.858
  239   2HB   CYS  27          1HB       CYS  27  -3.158   4.031   0.005
  240    H    ARG  28           H        ARG  28  -5.461   5.341   1.045
  241    HA   ARG  28           HA       ARG  28  -8.089   4.382   1.210
  242   1HB   ARG  28          2HB       ARG  28  -6.778   6.615   2.770
  243   2HB   ARG  28          1HB       ARG  28  -8.295   5.831   3.197
  244   1HG   ARG  28          2HG       ARG  28  -7.249   4.058   4.093
  245   2HG   ARG  28          1HG       ARG  28  -6.079   3.938   2.812
  246   1HD   ARG  28          2HD       ARG  28  -5.192   6.167   3.986
  247   2HD   ARG  28          1HD       ARG  28  -5.981   5.434   5.380
  248    HE   ARG  28           HE       ARG  28  -3.497   4.708   4.331
  249   1HH1  ARG  28          1HH1      ARG  28  -6.429   3.228   5.533
  250   2HH1  ARG  28          2HH1      ARG  28  -5.661   1.732   5.940
  251   1HH2  ARG  28          1HH2      ARG  28  -2.488   2.719   4.885
  252   2HH2  ARG  28          2HH2      ARG  28  -3.433   1.447   5.575
  253    H    LEU  29           H        LEU  29  -6.670   7.130  -0.286
  254    HA   LEU  29           HA       LEU  29  -8.940   8.786  -0.474
  255   1HB   LEU  29          2HB       LEU  29  -6.421   8.462  -2.019
  256   2HB   LEU  29          1HB       LEU  29  -7.741   9.298  -2.814
  257    HG   LEU  29           HG       LEU  29  -6.576  10.105  -0.152
  258   1HD1  LEU  29          1HD1      LEU  29  -6.055  12.044  -2.116
  259   2HD1  LEU  29          2HD1      LEU  29  -5.584  10.494  -2.815
  260   3HD1  LEU  29          3HD1      LEU  29  -4.894  11.015  -1.279
  261   1HD2  LEU  29          1HD2      LEU  29  -8.624  11.092  -0.093
  262   2HD2  LEU  29          2HD2      LEU  29  -8.806  11.081  -1.847
  263   3HD2  LEU  29          3HD2      LEU  29  -7.788  12.296  -1.074
  264    H    VAL  30           H        VAL  30  -7.821   5.959  -2.172
  265    HA   VAL  30           HA       VAL  30  -9.864   6.008  -4.181
  266    HB   VAL  30           HB       VAL  30  -7.574   4.332  -3.558
  267   1HG1  VAL  30          1HG1      VAL  30  -9.174   2.631  -2.949
  268   2HG1  VAL  30          2HG1      VAL  30  -8.480   2.235  -4.522
  269   3HG1  VAL  30          3HG1      VAL  30 -10.101   2.924  -4.420
  270   1HG2  VAL  30          1HG2      VAL  30  -7.370   5.313  -5.593
  271   2HG2  VAL  30          2HG2      VAL  30  -9.104   5.264  -5.914
  272   3HG2  VAL  30          3HG2      VAL  30  -8.128   3.808  -6.114
  273    H    LEU  31           H        LEU  31  -9.507   4.786  -0.967
  274    HA   LEU  31           HA       LEU  31 -11.532   2.879  -0.874
  275   1HB   LEU  31          2HB       LEU  31 -10.353   2.857   1.073
  276   2HB   LEU  31          1HB       LEU  31 -10.139   4.591   1.091
  277    HG   LEU  31           HG       LEU  31 -12.854   3.506   1.668
  278   1HD1  LEU  31          1HD1      LEU  31 -12.386   2.788   3.785
  279   2HD1  LEU  31          2HD1      LEU  31 -10.932   3.780   3.918
  280   3HD1  LEU  31          3HD1      LEU  31 -10.902   2.296   2.965
  281   1HD2  LEU  31          1HD2      LEU  31 -12.708   5.448   3.315
  282   2HD2  LEU  31          2HD2      LEU  31 -12.741   5.857   1.599
  283   3HD2  LEU  31          3HD2      LEU  31 -11.217   5.892   2.485
  284    H    ARG  32           H        ARG  32 -11.620   6.332  -0.966
  285    HA   ARG  32           HA       ARG  32 -14.267   6.802  -0.131
  286   1HB   ARG  32          2HB       ARG  32 -12.702   8.638  -0.415
  287   2HB   ARG  32          1HB       ARG  32 -12.536   8.280  -2.127
  288   1HG   ARG  32          2HG       ARG  32 -13.939  10.149  -2.018
  289   2HG   ARG  32          1HG       ARG  32 -15.017   8.786  -2.323
  290   1HD   ARG  32          2HD       ARG  32 -14.519   9.441   0.510
  291   2HD   ARG  32          1HD       ARG  32 -15.437  10.632  -0.409
  292    HE   ARG  32           HE       ARG  32 -16.380   7.930  -0.719
  293   1HH1  ARG  32          1HH1      ARG  32 -16.605  10.853   1.177
  294   2HH1  ARG  32          2HH1      ARG  32 -18.177  10.478   1.797
  295   1HH2  ARG  32          1HH2      ARG  32 -18.449   7.437   0.098
  296   2HH2  ARG  32          2HH2      ARG  32 -19.223   8.540   1.186
  297    H    CYS  33           H        CYS  33 -12.971   5.312  -2.918
  298    HA   CYS  33           HA       CYS  33 -14.586   5.748  -5.009
  299   1HB   CYS  33          2HB       CYS  33 -12.800   4.115  -5.074
  300   2HB   CYS  33          1HB       CYS  33 -13.669   3.060  -3.981
  301    H    SER  34           H        SER  34 -16.684   6.347  -4.567
  302    HA   SER  34           HA       SER  34 -18.638   4.337  -4.512
  303   1HB   SER  34          2HB       SER  34 -18.271   3.916  -2.235
  304   2HB   SER  34          1HB       SER  34 -17.987   5.617  -1.870
  305    HG   SER  34           HG       SER  34 -20.097   4.652  -1.252
  Start of MODEL   13
    1   1H    CYS   1          1HT       CYS   1 -10.957   0.700  -3.697
    2   2H    CYS   1          2HT       CYS   1 -11.853   1.064  -5.114
    3   3H    CYS   1          3HT       CYS   1 -12.129  -0.408  -4.278
    4    HA   CYS   1           HA       CYS   1 -12.515   2.205  -3.015
    5   1HB   CYS   1          2HB       CYS   1 -13.828   2.004  -5.141
    6   2HB   CYS   1          1HB       CYS   1 -14.580   0.553  -4.490
    7    H    TRP   2           H        TRP   2 -11.496  -0.502  -2.197
    8    HA   TRP   2           HA       TRP   2 -12.629  -0.715   0.305
    9   1HB   TRP   2          2HB       TRP   2 -14.409  -1.744  -1.622
   10   2HB   TRP   2          1HB       TRP   2 -13.702  -3.147  -0.826
   11    HD1  TRP   2           HD       TRP   2 -13.639  -2.568   2.105
   12    HE1  TRP   2           1HE      TRP   2 -15.725  -1.972   3.486
   13    HE3  TRP   2           3HE      TRP   2 -16.679  -0.931  -1.673
   14    HZ2  TRP   2           2HZ      TRP   2 -18.312  -0.943   3.039
   15    HZ3  TRP   2           3HZ      TRP   2 -18.946  -0.157  -1.105
   16    HH2  TRP   2           HH       TRP   2 -19.743  -0.165   1.202
   17    H    LEU   3           H        LEU   3 -11.220  -2.429  -2.404
   18    HA   LEU   3           HA       LEU   3  -9.907  -4.388  -0.730
   19   1HB   LEU   3          2HB       LEU   3  -9.095  -3.956  -3.560
   20   2HB   LEU   3          1HB       LEU   3  -9.259  -5.451  -2.663
   21    HG   LEU   3           HG       LEU   3 -11.595  -3.809  -3.638
   22   1HD1  LEU   3          1HD1      LEU   3  -9.969  -5.924  -4.934
   23   2HD1  LEU   3          2HD1      LEU   3 -10.807  -4.542  -5.640
   24   3HD1  LEU   3          3HD1      LEU   3 -11.718  -5.974  -5.157
   25   1HD2  LEU   3          1HD2      LEU   3 -12.550  -6.277  -3.308
   26   2HD2  LEU   3          2HD2      LEU   3 -12.546  -5.076  -2.015
   27   3HD2  LEU   3          3HD2      LEU   3 -11.284  -6.306  -2.079
   28    H    CYS   4           H        CYS   4  -9.322  -1.196  -1.228
   29    HA   CYS   4           HA       CYS   4  -6.719  -0.906  -1.992
   30   1HB   CYS   4          2HB       CYS   4  -8.594   0.753  -0.855
   31   2HB   CYS   4          1HB       CYS   4  -7.282   0.756   0.327
   32    H    ARG   5           H        ARG   5  -7.522  -0.919   1.510
   33    HA   ARG   5           HA       ARG   5  -5.159  -1.183   2.678
   34   1HB   ARG   5          2HB       ARG   5  -6.107  -2.596   4.389
   35   2HB   ARG   5          1HB       ARG   5  -7.351  -1.483   3.839
   36   1HG   ARG   5          2HG       ARG   5  -8.151  -3.347   2.322
   37   2HG   ARG   5          1HG       ARG   5  -7.083  -4.412   3.238
   38   1HD   ARG   5          2HD       ARG   5  -8.264  -3.968   5.265
   39   2HD   ARG   5          1HD       ARG   5  -9.202  -2.685   4.502
   40    HE   ARG   5           HE       ARG   5  -9.543  -5.238   3.243
   41   1HH1  ARG   5          1HH1      ARG   5 -10.616  -3.199   5.864
   42   2HH1  ARG   5          2HH1      ARG   5 -12.169  -3.954   5.981
   43   1HH2  ARG   5          1HH2      ARG   5 -11.578  -6.230   3.392
   44   2HH2  ARG   5          2HH2      ARG   5 -12.717  -5.678   4.576
   45    H    ALA   6           H        ALA   6  -6.681  -3.726   0.778
   46    HA   ALA   6           HA       ALA   6  -4.800  -5.750   1.238
   47   1HB   ALA   6          1HB       ALA   6  -7.099  -5.626  -0.162
   48   2HB   ALA   6          2HB       ALA   6  -5.907  -6.909  -0.368
   49   3HB   ALA   6          3HB       ALA   6  -5.935  -5.545  -1.485
   50    H    LEU   7           H        LEU   7  -5.028  -3.593  -1.605
   51    HA   LEU   7           HA       LEU   7  -2.671  -4.131  -2.846
   52   1HB   LEU   7          2HB       LEU   7  -4.250  -2.656  -3.865
   53   2HB   LEU   7          1HB       LEU   7  -4.131  -1.512  -2.542
   54    HG   LEU   7           HG       LEU   7  -1.703  -2.098  -4.193
   55   1HD1  LEU   7          1HD1      LEU   7  -3.165  -1.621  -5.945
   56   2HD1  LEU   7          2HD1      LEU   7  -2.444  -0.057  -5.560
   57   3HD1  LEU   7          3HD1      LEU   7  -4.069  -0.442  -4.995
   58   1HD2  LEU   7          1HD2      LEU   7  -1.025  -0.682  -2.564
   59   2HD2  LEU   7          2HD2      LEU   7  -2.643  -0.033  -2.301
   60   3HD2  LEU   7          3HD2      LEU   7  -1.679   0.531  -3.665
   61    H    ILE   8           H        ILE   8  -3.181  -2.326   0.094
   62    HA   ILE   8           HA       ILE   8  -0.642  -1.170   0.040
   63    HB   ILE   8           HB       ILE   8  -1.003  -0.285   2.153
   64   1HG1  ILE   8          2HG1      ILE   8  -3.251  -1.663   3.237
   65   2HG1  ILE   8          1HG1      ILE   8  -2.028  -2.853   2.804
   66   1HG2  ILE   8          1HG2      ILE   8  -2.683   0.435   0.435
   67   2HG2  ILE   8          2HG2      ILE   8  -3.220   0.634   2.104
   68   3HG2  ILE   8          3HG2      ILE   8  -3.815  -0.719   1.147
   69   1HD1  ILE   8          1HD1      ILE   8  -1.778  -0.538   4.689
   70   2HD1  ILE   8          2HD1      ILE   8  -0.384  -1.434   4.082
   71   3HD1  ILE   8          3HD1      ILE   8  -1.618  -2.260   5.036
   72    H    LYS   9           H        LYS   9  -1.887  -4.209   0.990
   73    HA   LYS   9           HA       LYS   9   0.215  -5.186   2.564
   74   1HB   LYS   9          2HB       LYS   9  -0.876  -7.166   2.409
   75   2HB   LYS   9          1HB       LYS   9  -2.088  -6.199   1.614
   76   1HG   LYS   9          2HG       LYS   9  -0.115  -7.099  -0.288
   77   2HG   LYS   9          1HG       LYS   9  -0.807  -8.450   0.575
   78   1HD   LYS   9          2HD       LYS   9  -2.379  -8.321  -1.033
   79   2HD   LYS   9          1HD       LYS   9  -3.046  -7.058   0.000
   80   1HE   LYS   9          2HE       LYS   9  -2.026  -5.327  -1.334
   81   2HE   LYS   9          1HE       LYS   9  -1.089  -6.506  -2.214
   82   1HZ   LYS   9          1HZ       LYS   9  -2.844  -5.937  -3.623
   83   2HZ   LYS   9          2HZ       LYS   9  -3.993  -6.044  -2.389
   84   3HZ   LYS   9          3HZ       LYS   9  -3.274  -7.450  -2.993
   85    H    ARG  10           H        ARG  10  -0.317  -4.964  -0.866
   86    HA   ARG  10           HA       ARG  10   1.961  -6.370  -1.722
   87   1HB   ARG  10          2HB       ARG  10   0.093  -4.428  -2.943
   88   2HB   ARG  10          1HB       ARG  10   1.677  -4.529  -3.689
   89   1HG   ARG  10          2HG       ARG  10  -0.514  -6.113  -4.215
   90   2HG   ARG  10          1HG       ARG  10   1.141  -6.399  -4.744
   91   1HD   ARG  10          2HD       ARG  10   0.177  -7.383  -2.073
   92   2HD   ARG  10          1HD       ARG  10  -0.146  -8.302  -3.537
   93    HE   ARG  10           HE       ARG  10   2.614  -7.592  -3.124
   94   1HH1  ARG  10          1HH1      ARG  10   0.126  -9.950  -2.493
   95   2HH1  ARG  10          2HH1      ARG  10   1.244 -11.252  -2.262
   96   1HH2  ARG  10          1HH2      ARG  10   4.092  -9.297  -2.833
   97   2HH2  ARG  10          2HH2      ARG  10   3.500 -10.882  -2.456
   98    H    ILE  11           H        ILE  11   1.395  -3.231  -0.467
   99    HA   ILE  11           HA       ILE  11   3.927  -2.144  -1.165
  100    HB   ILE  11           HB       ILE  11   1.639  -1.252   0.353
  101   1HG1  ILE  11          2HG1      ILE  11   2.871   1.000  -0.139
  102   2HG1  ILE  11          1HG1      ILE  11   3.952  -0.010  -1.094
  103   1HG2  ILE  11          1HG2      ILE  11   3.000  -1.634   2.314
  104   2HG2  ILE  11          2HG2      ILE  11   2.845   0.103   2.033
  105   3HG2  ILE  11          3HG2      ILE  11   4.335  -0.734   1.596
  106   1HD1  ILE  11          1HD1      ILE  11   2.503  -0.099  -2.763
  107   2HD1  ILE  11          2HD1      ILE  11   1.548   1.114  -1.907
  108   3HD1  ILE  11          3HD1      ILE  11   1.198  -0.600  -1.687
  109    H    GLN  12           H        GLN  12   2.634  -4.115   1.428
  110    HA   GLN  12           HA       GLN  12   5.063  -3.859   2.991
  111   1HB   GLN  12          2HB       GLN  12   3.970  -5.021   4.683
  112   2HB   GLN  12          1HB       GLN  12   2.648  -4.178   3.896
  113   1HG   GLN  12          2HG       GLN  12   1.602  -6.109   3.654
  114   2HG   GLN  12          1HG       GLN  12   2.893  -6.657   2.591
  115   1HE2  GLN  12          1HE2      GLN  12   4.829  -7.562   3.694
  116   2HE2  GLN  12          2HE2      GLN  12   4.561  -8.543   5.092
  117    H    ALA  13           H        ALA  13   3.703  -5.907   0.592
  118    HA   ALA  13           HA       ALA  13   5.562  -8.028   1.144
  119   1HB   ALA  13          1HB       ALA  13   3.179  -8.453   0.452
  120   2HB   ALA  13          2HB       ALA  13   4.405  -9.331  -0.461
  121   3HB   ALA  13          3HB       ALA  13   3.640  -7.903  -1.160
  122    H    MET  14           H        MET  14   5.214  -5.338  -0.993
  123    HA   MET  14           HA       MET  14   6.926  -6.167  -3.057
  124   1HB   MET  14          2HB       MET  14   7.163  -3.828  -3.629
  125   2HB   MET  14          1HB       MET  14   5.492  -4.154  -3.194
  126   1HG   MET  14          2HG       MET  14   5.605  -2.922  -1.278
  127   2HG   MET  14          1HG       MET  14   7.335  -3.169  -1.084
  128   1HE   MET  14          1HE       MET  14   6.859   0.696  -1.327
  129   2HE   MET  14          2HE       MET  14   8.103  -0.408  -0.742
  130   3HE   MET  14          3HE       MET  14   6.414  -0.672  -0.306
  131    H    ILE  15           H        ILE  15   7.541  -5.138   0.206
  132    HA   ILE  15           HA       ILE  15  10.411  -5.493  -0.354
  133    HB   ILE  15           HB       ILE  15  11.127  -3.627   0.855
  134   1HG1  ILE  15          2HG1      ILE  15   9.654  -3.733   2.780
  135   2HG1  ILE  15          1HG1      ILE  15   9.605  -2.114   2.098
  136   1HG2  ILE  15          1HG2      ILE  15   9.650  -3.332  -1.400
  137   2HG2  ILE  15          2HG2      ILE  15  10.596  -2.054  -0.642
  138   3HG2  ILE  15          3HG2      ILE  15   8.868  -2.181  -0.318
  139   1HD1  ILE  15          1HD1      ILE  15   7.397  -2.371   2.330
  140   2HD1  ILE  15          2HD1      ILE  15   7.494  -4.131   2.335
  141   3HD1  ILE  15          3HD1      ILE  15   7.534  -3.250   0.809
  142    HA   PRO  16           HA       PRO  16   9.853  -8.103   3.250
  143   1HB   PRO  16          2HB       PRO  16  12.068  -9.564   2.959
  144   2HB   PRO  16          1HB       PRO  16  10.706  -9.744   1.846
  145   1HG   PRO  16          2HG       PRO  16  13.287  -8.292   1.465
  146   2HG   PRO  16          1HG       PRO  16  12.368  -9.268   0.307
  147   1HD   PRO  16          2HD       PRO  16  12.330  -6.491   0.461
  148   2HD   PRO  16          1HD       PRO  16  11.101  -7.491  -0.336
  149    H    LYS  17           H        LYS  17  12.541  -6.012   2.544
  150    HA   LYS  17           HA       LYS  17  12.874  -5.244   5.245
  151   1HB   LYS  17          2HB       LYS  17  14.024  -7.417   5.394
  152   2HB   LYS  17          1HB       LYS  17  15.092  -6.940   4.082
  153   1HG   LYS  17          2HG       LYS  17  15.207  -4.919   6.066
  154   2HG   LYS  17          1HG       LYS  17  15.383  -6.480   6.868
  155   1HD   LYS  17          2HD       LYS  17  17.145  -7.052   5.183
  156   2HD   LYS  17          1HD       LYS  17  17.040  -5.392   4.596
  157   1HE   LYS  17          2HE       LYS  17  18.707  -5.065   6.084
  158   2HE   LYS  17          1HE       LYS  17  17.362  -4.917   7.214
  159   1HZ   LYS  17          1HZ       LYS  17  18.577  -7.551   6.696
  160   2HZ   LYS  17          2HZ       LYS  17  17.729  -7.018   8.059
  161   3HZ   LYS  17          3HZ       LYS  17  19.308  -6.479   7.782
  162    H    GLY  18           H        GLY  18  12.404  -3.886   2.864
  163   1HA   GLY  18          2HA       GLY  18  14.214  -1.780   3.005
  164   2HA   GLY  18          1HA       GLY  18  14.764  -2.821   1.702
  165    H    GLY  19           H        GLY  19  12.354  -0.566   2.758
  166   1HA   GLY  19          2HA       GLY  19  11.662   0.079   0.059
  167   2HA   GLY  19          1HA       GLY  19  10.368  -0.789   0.872
  168    H    ARG  20           H        ARG  20   8.985   1.019   0.754
  169    HA   ARG  20           HA       ARG  20   9.318   2.845   2.958
  170   1HB   ARG  20          2HB       ARG  20   9.414   3.807   0.107
  171   2HB   ARG  20          1HB       ARG  20   8.885   4.855   1.414
  172   1HG   ARG  20          2HG       ARG  20  11.018   5.426   1.613
  173   2HG   ARG  20          1HG       ARG  20  11.255   3.850   2.366
  174   1HD   ARG  20          2HD       ARG  20  12.363   3.034   0.587
  175   2HD   ARG  20          1HD       ARG  20  11.278   3.812  -0.565
  176    HE   ARG  20           HE       ARG  20  12.743   5.866   0.453
  177   1HH1  ARG  20          1HH1      ARG  20  13.536   2.836  -1.081
  178   2HH1  ARG  20          2HH1      ARG  20  15.010   3.425  -1.773
  179   1HH2  ARG  20          1HH2      ARG  20  14.677   6.649  -0.454
  180   2HH2  ARG  20          2HH2      ARG  20  15.659   5.595  -1.417
  181    H    MET  21           H        MET  21   7.377   4.091   0.437
  182    HA   MET  21           HA       MET  21   5.002   2.680   0.582
  183   1HB   MET  21          2HB       MET  21   3.685   3.885   2.211
  184   2HB   MET  21          1HB       MET  21   5.115   3.266   3.025
  185   1HG   MET  21          2HG       MET  21   6.019   5.682   2.298
  186   2HG   MET  21          1HG       MET  21   4.304   6.042   2.457
  187   1HE   MET  21          1HE       MET  21   4.396   3.323   4.992
  188   2HE   MET  21          2HE       MET  21   3.137   4.471   4.546
  189   3HE   MET  21          3HE       MET  21   3.829   4.510   6.166
  190    H    LEU  22           H        LEU  22   3.083   4.639   0.469
  191    HA   LEU  22           HA       LEU  22   3.032   7.009  -0.395
  192   1HB   LEU  22          2HB       LEU  22   5.146   6.972  -1.503
  193   2HB   LEU  22          1HB       LEU  22   4.635   5.662  -2.549
  194    HG   LEU  22           HG       LEU  22   4.750   8.047  -3.518
  195   1HD1  LEU  22          1HD1      LEU  22   3.382   7.377  -5.167
  196   2HD1  LEU  22          2HD1      LEU  22   2.047   7.028  -4.069
  197   3HD1  LEU  22          3HD1      LEU  22   3.358   5.863  -4.262
  198   1HD2  LEU  22          1HD2      LEU  22   3.322   9.635  -2.854
  199   2HD2  LEU  22          2HD2      LEU  22   3.165   8.665  -1.391
  200   3HD2  LEU  22          3HD2      LEU  22   1.984   8.500  -2.690
  201    HA   PRO  23           HA       PRO  23   0.271   4.858  -3.629
  202   1HB   PRO  23          2HB       PRO  23   0.597   2.011  -3.535
  203   2HB   PRO  23          1HB       PRO  23   0.985   3.117  -4.852
  204   1HG   PRO  23          2HG       PRO  23   2.879   1.745  -3.436
  205   2HG   PRO  23          1HG       PRO  23   3.183   3.310  -4.219
  206   1HD   PRO  23          2HD       PRO  23   2.434   2.747  -1.356
  207   2HD   PRO  23          1HD       PRO  23   3.757   3.780  -1.982
  208    H    GLN  24           H        GLN  24   0.799   2.921  -0.760
  209    HA   GLN  24           HA       GLN  24  -1.940   2.100  -0.490
  210   1HB   GLN  24          2HB       GLN  24  -1.168   1.441   1.840
  211   2HB   GLN  24          1HB       GLN  24  -0.409   0.608   0.484
  212   1HG   GLN  24          2HG       GLN  24   1.584   1.240   1.209
  213   2HG   GLN  24          1HG       GLN  24   1.117   2.936   1.121
  214   1HE2  GLN  24          1HE2      GLN  24   0.652   0.086   3.179
  215   2HE2  GLN  24          2HE2      GLN  24   0.774   0.934   4.680
  216    H    LEU  25           H        LEU  25  -0.199   4.951   0.216
  217    HA   LEU  25           HA       LEU  25  -2.060   5.812   2.268
  218   1HB   LEU  25          2HB       LEU  25   0.218   7.251   0.904
  219   2HB   LEU  25          1HB       LEU  25  -0.806   7.979   2.128
  220    HG   LEU  25           HG       LEU  25   1.090   7.350   3.321
  221   1HD1  LEU  25          1HD1      LEU  25   0.424   5.502   4.763
  222   2HD1  LEU  25          2HD1      LEU  25  -0.781   4.998   3.579
  223   3HD1  LEU  25          3HD1      LEU  25  -0.954   6.545   4.407
  224   1HD2  LEU  25          1HD2      LEU  25   2.167   5.138   3.085
  225   2HD2  LEU  25          2HD2      LEU  25   2.211   6.095   1.607
  226   3HD2  LEU  25          3HD2      LEU  25   1.059   4.770   1.765
  227    H    VAL  26           H        VAL  26  -1.211   6.540  -1.051
  228    HA   VAL  26           HA       VAL  26  -3.319   8.446  -1.436
  229    HB   VAL  26           HB       VAL  26  -2.956   7.665  -3.942
  230   1HG1  VAL  26          1HG1      VAL  26  -1.468   9.463  -4.252
  231   2HG1  VAL  26          2HG1      VAL  26  -0.769   9.270  -2.645
  232   3HG1  VAL  26          3HG1      VAL  26  -2.413   9.883  -2.823
  233   1HG2  VAL  26          1HG2      VAL  26  -0.160   7.285  -3.480
  234   2HG2  VAL  26          2HG2      VAL  26  -1.293   6.287  -4.387
  235   3HG2  VAL  26          3HG2      VAL  26  -1.084   6.029  -2.659
  236    H    CYS  27           H        CYS  27  -2.704   5.096  -1.962
  237    HA   CYS  27           HA       CYS  27  -4.939   4.205  -3.248
  238   1HB   CYS  27          2HB       CYS  27  -3.645   2.438  -2.915
  239   2HB   CYS  27          1HB       CYS  27  -2.883   3.134  -1.505
  240    H    ARG  28           H        ARG  28  -4.420   4.393   0.196
  241    HA   ARG  28           HA       ARG  28  -6.946   3.690   0.934
  242   1HB   ARG  28          2HB       ARG  28  -4.770   5.221   2.256
  243   2HB   ARG  28          1HB       ARG  28  -6.351   5.196   3.032
  244   1HG   ARG  28          2HG       ARG  28  -6.095   2.588   2.556
  245   2HG   ARG  28          1HG       ARG  28  -4.398   2.998   2.638
  246   1HD   ARG  28          2HD       ARG  28  -6.485   3.470   4.756
  247   2HD   ARG  28          1HD       ARG  28  -5.102   2.380   4.838
  248    HE   ARG  28           HE       ARG  28  -4.051   4.892   4.413
  249   1HH1  ARG  28          1HH1      ARG  28  -6.025   3.359   6.853
  250   2HH1  ARG  28          2HH1      ARG  28  -5.459   4.382   8.132
  251   1HH2  ARG  28          1HH2      ARG  28  -3.308   6.239   6.097
  252   2HH2  ARG  28          2HH2      ARG  28  -3.919   6.016   7.703
  253    H    LEU  29           H        LEU  29  -5.762   6.796  -0.121
  254    HA   LEU  29           HA       LEU  29  -7.909   8.419   0.644
  255   1HB   LEU  29          2HB       LEU  29  -6.421   8.623  -1.977
  256   2HB   LEU  29          1HB       LEU  29  -7.321   9.897  -1.186
  257    HG   LEU  29           HG       LEU  29  -4.803   8.650  -0.092
  258   1HD1  LEU  29          1HD1      LEU  29  -4.399   9.927  -2.145
  259   2HD1  LEU  29          2HD1      LEU  29  -3.702  10.712  -0.728
  260   3HD1  LEU  29          3HD1      LEU  29  -5.203  11.322  -1.425
  261   1HD2  LEU  29          1HD2      LEU  29  -5.798   9.472   1.793
  262   2HD2  LEU  29          2HD2      LEU  29  -6.714  10.693   0.910
  263   3HD2  LEU  29          3HD2      LEU  29  -4.995  10.934   1.222
  264    H    VAL  30           H        VAL  30  -7.512   6.084  -1.890
  265    HA   VAL  30           HA       VAL  30 -10.028   6.658  -3.187
  266    HB   VAL  30           HB       VAL  30  -7.750   4.885  -3.667
  267   1HG1  VAL  30          1HG1      VAL  30  -9.299   3.096  -3.237
  268   2HG1  VAL  30          2HG1      VAL  30  -9.034   3.214  -4.976
  269   3HG1  VAL  30          3HG1      VAL  30 -10.518   3.848  -4.266
  270   1HG2  VAL  30          1HG2      VAL  30  -8.150   5.424  -5.929
  271   2HG2  VAL  30          2HG2      VAL  30  -8.519   6.883  -5.009
  272   3HG2  VAL  30          3HG2      VAL  30  -9.826   5.862  -5.608
  273    H    LEU  31           H        LEU  31  -8.858   4.597  -0.650
  274    HA   LEU  31           HA       LEU  31 -10.834   2.671  -0.509
  275   1HB   LEU  31          2HB       LEU  31  -9.562   2.099   1.230
  276   2HB   LEU  31          1HB       LEU  31  -8.800   3.670   1.228
  277    HG   LEU  31           HG       LEU  31 -11.446   3.333   2.590
  278   1HD1  LEU  31          1HD1      LEU  31 -10.601   2.356   4.462
  279   2HD1  LEU  31          2HD1      LEU  31  -8.961   2.928   4.160
  280   3HD1  LEU  31          3HD1      LEU  31  -9.602   1.564   3.243
  281   1HD2  LEU  31          1HD2      LEU  31 -10.755   5.183   3.872
  282   2HD2  LEU  31          2HD2      LEU  31 -10.278   5.562   2.219
  283   3HD2  LEU  31          3HD2      LEU  31  -9.073   5.001   3.375
  284    H    ARG  32           H        ARG  32 -10.908   6.030   0.347
  285    HA   ARG  32           HA       ARG  32 -13.328   6.047   1.802
  286   1HB   ARG  32          2HB       ARG  32 -11.687   7.958   1.655
  287   2HB   ARG  32          1HB       ARG  32 -12.289   8.262   0.032
  288   1HG   ARG  32          2HG       ARG  32 -14.195   8.177   2.327
  289   2HG   ARG  32          1HG       ARG  32 -13.220   9.619   2.039
  290   1HD   ARG  32          2HD       ARG  32 -14.529  10.254   0.352
  291   2HD   ARG  32          1HD       ARG  32 -14.414   8.671  -0.415
  292    HE   ARG  32           HE       ARG  32 -16.182   8.262   1.593
  293   1HH1  ARG  32          1HH1      ARG  32 -15.998  10.600  -0.993
  294   2HH1  ARG  32          2HH1      ARG  32 -17.715  10.800  -1.101
  295   1HH2  ARG  32          1HH2      ARG  32 -18.442   8.527   1.451
  296   2HH2  ARG  32          2HH2      ARG  32 -19.101   9.624   0.285
  297    H    CYS  33           H        CYS  33 -12.734   7.115  -1.483
  298    HA   CYS  33           HA       CYS  33 -14.202   7.428  -3.232
  299   1HB   CYS  33          2HB       CYS  33 -14.792   5.205  -4.166
  300   2HB   CYS  33          1HB       CYS  33 -13.133   5.295  -3.611
  301    H    SER  34           H        SER  34 -16.486   5.691  -3.864
  302    HA   SER  34           HA       SER  34 -18.747   5.737  -3.682
  303   1HB   SER  34          2HB       SER  34 -18.411   4.353  -1.742
  304   2HB   SER  34          1HB       SER  34 -18.017   5.753  -0.746
  305    HG   SER  34           HG       SER  34 -20.221   4.912  -0.565
  Start of MODEL   14
    1   1H    CYS   1          1HT       CYS   1 -12.370  -0.188  -4.137
    2   2H    CYS   1          2HT       CYS   1 -13.361   0.772  -5.158
    3   3H    CYS   1          3HT       CYS   1 -14.077  -0.294  -4.018
    4    HA   CYS   1           HA       CYS   1 -12.333   1.952  -3.287
    5   1HB   CYS   1          2HB       CYS   1 -14.348   2.705  -4.530
    6   2HB   CYS   1          1HB       CYS   1 -15.358   1.842  -3.376
    7    H    TRP   2           H        TRP   2 -11.902  -0.456  -2.135
    8    HA   TRP   2           HA       TRP   2 -12.397   0.028   0.583
    9   1HB   TRP   2          2HB       TRP   2 -14.631  -1.047  -0.627
   10   2HB   TRP   2          1HB       TRP   2 -13.847  -2.460   0.068
   11    HD1  TRP   2           HD       TRP   2 -12.746  -1.039   2.736
   12    HE1  TRP   2           1HE      TRP   2 -14.418  -0.426   4.593
   13    HE3  TRP   2           3HE      TRP   2 -17.048  -0.967  -0.031
   14    HZ2  TRP   2           2HZ      TRP   2 -17.187   0.027   4.855
   15    HZ3  TRP   2           3HZ      TRP   2 -19.167  -0.434   1.104
   16    HH2  TRP   2           HH       TRP   2 -19.233   0.050   3.496
   17    H    LEU   3           H        LEU   3 -11.650  -2.364  -1.891
   18    HA   LEU   3           HA       LEU   3 -10.285  -4.169  -0.144
   19   1HB   LEU   3          2HB       LEU   3 -10.290  -3.885  -3.142
   20   2HB   LEU   3          1HB       LEU   3  -9.456  -5.169  -2.289
   21    HG   LEU   3           HG       LEU   3 -12.435  -4.681  -2.274
   22   1HD1  LEU   3          1HD1      LEU   3 -10.633  -6.451  -3.829
   23   2HD1  LEU   3          2HD1      LEU   3 -12.133  -5.657  -4.306
   24   3HD1  LEU   3          3HD1      LEU   3 -12.183  -7.108  -3.306
   25   1HD2  LEU   3          1HD2      LEU   3 -10.703  -6.681  -0.847
   26   2HD2  LEU   3          2HD2      LEU   3 -12.419  -6.957  -1.145
   27   3HD2  LEU   3          3HD2      LEU   3 -11.904  -5.583  -0.166
   28    H    CYS   4           H        CYS   4  -9.384  -1.130  -0.994
   29    HA   CYS   4           HA       CYS   4  -6.791  -1.318  -1.917
   30   1HB   CYS   4          2HB       CYS   4  -8.410   0.730  -1.049
   31   2HB   CYS   4          1HB       CYS   4  -7.070   0.770   0.092
   32    H    ARG   5           H        ARG   5  -7.749  -1.052   1.534
   33    HA   ARG   5           HA       ARG   5  -5.412  -1.191   2.829
   34   1HB   ARG   5          2HB       ARG   5  -7.429  -1.293   4.102
   35   2HB   ARG   5          1HB       ARG   5  -7.898  -2.817   3.366
   36   1HG   ARG   5          2HG       ARG   5  -5.530  -3.492   4.526
   37   2HG   ARG   5          1HG       ARG   5  -6.148  -2.285   5.654
   38   1HD   ARG   5          2HD       ARG   5  -6.839  -4.603   6.205
   39   2HD   ARG   5          1HD       ARG   5  -8.193  -3.509   5.931
   40    HE   ARG   5           HE       ARG   5  -7.327  -5.079   3.649
   41   1HH1  ARG   5          1HH1      ARG   5  -9.557  -4.775   6.321
   42   2HH1  ARG   5          2HH1      ARG   5 -10.738  -5.823   5.614
   43   1HH2  ARG   5          1HH2      ARG   5  -8.883  -6.457   2.721
   44   2HH2  ARG   5          2HH2      ARG   5 -10.356  -6.778   3.572
   45    H    ALA   6           H        ALA   6  -6.913  -3.856   1.085
   46    HA   ALA   6           HA       ALA   6  -5.021  -5.834   1.764
   47   1HB   ALA   6          1HB       ALA   6  -7.346  -5.854   0.378
   48   2HB   ALA   6          2HB       ALA   6  -6.166  -7.164   0.334
   49   3HB   ALA   6          3HB       ALA   6  -6.184  -5.950  -0.945
   50    H    LEU   7           H        LEU   7  -5.334  -3.804  -1.144
   51    HA   LEU   7           HA       LEU   7  -2.941  -4.484  -2.372
   52   1HB   LEU   7          2HB       LEU   7  -4.658  -3.242  -3.531
   53   2HB   LEU   7          1HB       LEU   7  -4.490  -1.896  -2.421
   54    HG   LEU   7           HG       LEU   7  -2.126  -2.732  -4.044
   55   1HD1  LEU   7          1HD1      LEU   7  -3.638  -2.610  -5.804
   56   2HD1  LEU   7          2HD1      LEU   7  -2.969  -0.980  -5.726
   57   3HD1  LEU   7          3HD1      LEU   7  -4.563  -1.312  -5.049
   58   1HD2  LEU   7          1HD2      LEU   7  -3.054  -0.377  -2.524
   59   2HD2  LEU   7          2HD2      LEU   7  -2.151  -0.051  -4.003
   60   3HD2  LEU   7          3HD2      LEU   7  -1.429  -1.031  -2.728
   61    H    ILE   8           H        ILE   8  -3.561  -2.387   0.366
   62    HA   ILE   8           HA       ILE   8  -1.132  -1.030   0.160
   63    HB   ILE   8           HB       ILE   8  -1.418  -0.142   2.311
   64   1HG1  ILE   8          2HG1      ILE   8  -3.614  -1.592   3.428
   65   2HG1  ILE   8          1HG1      ILE   8  -2.338  -2.729   3.009
   66   1HG2  ILE   8          1HG2      ILE   8  -3.047   0.777   0.868
   67   2HG2  ILE   8          2HG2      ILE   8  -3.868   0.453   2.396
   68   3HG2  ILE   8          3HG2      ILE   8  -4.091  -0.636   1.031
   69   1HD1  ILE   8          1HD1      ILE   8  -2.492  -0.856   5.184
   70   2HD1  ILE   8          2HD1      ILE   8  -1.024  -0.620   4.237
   71   3HD1  ILE   8          3HD1      ILE   8  -1.381  -2.202   4.928
   72    H    LYS   9           H        LYS   9  -2.083  -4.105   1.315
   73    HA   LYS   9           HA       LYS   9   0.347  -4.707   2.682
   74   1HB   LYS   9          2HB       LYS   9  -0.856  -6.476   3.334
   75   2HB   LYS   9          1HB       LYS   9  -2.122  -5.964   2.245
   76   1HG   LYS   9          2HG       LYS   9   0.034  -7.450   0.933
   77   2HG   LYS   9          1HG       LYS   9  -0.855  -8.366   2.142
   78   1HD   LYS   9          2HD       LYS   9  -2.122  -8.788   0.284
   79   2HD   LYS   9          1HD       LYS   9  -2.947  -7.368   0.922
   80   1HE   LYS   9          2HE       LYS   9  -1.846  -5.934  -0.666
   81   2HE   LYS   9          1HE       LYS   9  -0.799  -7.251  -1.193
   82   1HZ   LYS   9          1HZ       LYS   9  -2.407  -8.134  -2.480
   83   2HZ   LYS   9          2HZ       LYS   9  -3.038  -6.565  -2.450
   84   3HZ   LYS   9          3HZ       LYS   9  -3.656  -7.745  -1.406
   85    H    ARG  10           H        ARG  10  -0.759  -4.679  -0.572
   86    HA   ARG  10           HA       ARG  10   1.184  -6.389  -1.705
   87   1HB   ARG  10          2HB       ARG  10  -0.841  -4.543  -2.681
   88   2HB   ARG  10          1HB       ARG  10   0.637  -4.423  -3.623
   89   1HG   ARG  10          2HG       ARG  10  -1.155  -6.784  -3.233
   90   2HG   ARG  10          1HG       ARG  10  -0.670  -6.000  -4.733
   91   1HD   ARG  10          2HD       ARG  10   0.906  -7.566  -4.928
   92   2HD   ARG  10          1HD       ARG  10   1.718  -6.809  -3.559
   93    HE   ARG  10           HE       ARG  10  -0.323  -8.698  -2.819
   94   1HH1  ARG  10          1HH1      ARG  10   3.049  -8.281  -3.629
   95   2HH1  ARG  10          2HH1      ARG  10   3.552  -9.716  -2.802
   96   1HH2  ARG  10          1HH2      ARG  10   0.342 -10.577  -1.722
   97   2HH2  ARG  10          2HH2      ARG  10   2.017 -11.019  -1.719
   98    H    ILE  11           H        ILE  11   1.192  -3.254  -0.361
   99    HA   ILE  11           HA       ILE  11   3.666  -2.472  -1.662
  100    HB   ILE  11           HB       ILE  11   2.024  -1.227   0.530
  101   1HG1  ILE  11          2HG1      ILE  11   1.145  -0.810  -1.660
  102   2HG1  ILE  11          1HG1      ILE  11   1.952   0.658  -1.136
  103   1HG2  ILE  11          1HG2      ILE  11   3.895  -0.357   1.352
  104   2HG2  ILE  11          2HG2      ILE  11   3.968   0.606  -0.121
  105   3HG2  ILE  11          3HG2      ILE  11   4.852  -0.918  -0.018
  106   1HD1  ILE  11          1HD1      ILE  11   3.926  -0.016  -2.480
  107   2HD1  ILE  11          2HD1      ILE  11   2.470   0.279  -3.431
  108   3HD1  ILE  11          3HD1      ILE  11   2.981  -1.373  -3.093
  109    H    GLN  12           H        GLN  12   2.446  -3.921   1.203
  110    HA   GLN  12           HA       GLN  12   4.631  -3.881   2.913
  111   1HB   GLN  12          2HB       GLN  12   2.160  -5.247   2.603
  112   2HB   GLN  12          1HB       GLN  12   3.390  -6.466   2.858
  113   1HG   GLN  12          2HG       GLN  12   2.056  -4.815   4.672
  114   2HG   GLN  12          1HG       GLN  12   3.214  -6.136   4.957
  115   1HE2  GLN  12          1HE2      GLN  12   5.517  -5.526   4.866
  116   2HE2  GLN  12          2HE2      GLN  12   5.984  -3.978   5.475
  117    H    ALA  13           H        ALA  13   3.685  -6.008   0.320
  118    HA   ALA  13           HA       ALA  13   5.868  -7.681   0.604
  119   1HB   ALA  13          1HB       ALA  13   5.046  -8.863  -1.195
  120   2HB   ALA  13          2HB       ALA  13   4.565  -7.399  -2.055
  121   3HB   ALA  13          3HB       ALA  13   3.598  -7.983  -0.702
  122    H    MET  14           H        MET  14   5.315  -4.701  -1.062
  123    HA   MET  14           HA       MET  14   7.321  -4.616  -2.938
  124   1HB   MET  14          2HB       MET  14   6.830  -2.425  -3.085
  125   2HB   MET  14          1HB       MET  14   5.596  -2.761  -1.886
  126   1HG   MET  14          2HG       MET  14   6.547  -1.066  -0.797
  127   2HG   MET  14          1HG       MET  14   7.714  -2.277  -0.280
  128   1HE   MET  14          1HE       MET  14   8.581   1.270  -0.776
  129   2HE   MET  14          2HE       MET  14  10.141   0.466  -0.607
  130   3HE   MET  14          3HE       MET  14   8.755  -0.086   0.338
  131    H    ILE  15           H        ILE  15   7.521  -4.515   0.532
  132    HA   ILE  15           HA       ILE  15   9.346  -5.461   1.650
  133    HB   ILE  15           HB       ILE  15  11.608  -5.290   1.079
  134   1HG1  ILE  15          2HG1      ILE  15  12.576  -3.611  -0.022
  135   2HG1  ILE  15          1HG1      ILE  15  11.673  -4.003  -1.470
  136   1HG2  ILE  15          1HG2      ILE  15  11.005  -5.827  -1.627
  137   2HG2  ILE  15          2HG2      ILE  15   9.661  -6.383  -0.627
  138   3HG2  ILE  15          3HG2      ILE  15  11.298  -6.954  -0.302
  139   1HD1  ILE  15          1HD1      ILE  15   9.808  -2.571  -0.318
  140   2HD1  ILE  15          2HD1      ILE  15  11.140  -1.805  -1.176
  141   3HD1  ILE  15          3HD1      ILE  15  11.172  -1.915   0.581
  142    HA   PRO  16           HA       PRO  16  10.073  -2.020   4.274
  143   1HB   PRO  16          2HB       PRO  16  11.548  -3.239   6.139
  144   2HB   PRO  16          1HB       PRO  16   9.876  -3.724   5.839
  145   1HG   PRO  16          2HG       PRO  16  12.397  -5.096   5.109
  146   2HG   PRO  16          1HG       PRO  16  10.799  -5.780   5.442
  147   1HD   PRO  16          2HD       PRO  16  11.966  -5.228   2.886
  148   2HD   PRO  16          1HD       PRO  16  10.335  -5.834   3.228
  149    H    LYS  17           H        LYS  17  13.110  -3.897   3.762
  150    HA   LYS  17           HA       LYS  17  14.943  -1.963   4.427
  151   1HB   LYS  17          2HB       LYS  17  14.979  -4.454   3.024
  152   2HB   LYS  17          1HB       LYS  17  15.942  -3.301   2.110
  153   1HG   LYS  17          2HG       LYS  17  16.540  -3.164   4.936
  154   2HG   LYS  17          1HG       LYS  17  16.753  -4.796   4.303
  155   1HD   LYS  17          2HD       LYS  17  18.465  -4.188   2.920
  156   2HD   LYS  17          1HD       LYS  17  17.852  -2.547   2.704
  157   1HE   LYS  17          2HE       LYS  17  19.891  -2.454   3.975
  158   2HE   LYS  17          1HE       LYS  17  18.542  -2.033   5.028
  159   1HZ   LYS  17          1HZ       LYS  17  19.582  -4.796   4.901
  160   2HZ   LYS  17          2HZ       LYS  17  18.665  -4.068   6.121
  161   3HZ   LYS  17          3HZ       LYS  17  20.288  -3.639   5.916
  162    H    GLY  18           H        GLY  18  12.955  -2.243   1.623
  163   1HA   GLY  18          2HA       GLY  18  14.309  -0.077   0.220
  164   2HA   GLY  18          1HA       GLY  18  12.970  -1.046  -0.384
  165    H    GLY  19           H        GLY  19  13.507   2.000   0.044
  166   1HA   GLY  19          2HA       GLY  19  10.770   2.551   0.805
  167   2HA   GLY  19          1HA       GLY  19  11.965   3.148   1.944
  168    H    ARG  20           H        ARG  20  10.192   4.809   0.711
  169    HA   ARG  20           HA       ARG  20  11.638   6.960  -0.128
  170   1HB   ARG  20          2HB       ARG  20  11.580   5.018  -2.210
  171   2HB   ARG  20          1HB       ARG  20  10.534   6.339  -2.705
  172   1HG   ARG  20          2HG       ARG  20  12.322   7.459  -3.355
  173   2HG   ARG  20          1HG       ARG  20  12.853   7.535  -1.674
  174   1HD   ARG  20          2HD       ARG  20  14.479   6.038  -2.017
  175   2HD   ARG  20          1HD       ARG  20  13.414   4.963  -2.919
  176    HE   ARG  20           HE       ARG  20  13.891   6.928  -4.693
  177   1HH1  ARG  20          1HH1      ARG  20  16.011   4.993  -2.705
  178   2HH1  ARG  20          2HH1      ARG  20  17.330   5.064  -3.825
  179   1HH2  ARG  20          1HH2      ARG  20  15.625   7.012  -6.171
  180   2HH2  ARG  20          2HH2      ARG  20  17.111   6.206  -5.791
  181    H    MET  21           H        MET  21   8.779   5.048  -0.661
  182    HA   MET  21           HA       MET  21   6.847   6.491   0.487
  183   1HB   MET  21          2HB       MET  21   6.666   8.456  -0.621
  184   2HB   MET  21          1HB       MET  21   7.702   7.902  -1.930
  185   1HG   MET  21          2HG       MET  21   5.772   6.716  -2.926
  186   2HG   MET  21          1HG       MET  21   4.746   7.344  -1.641
  187   1HE   MET  21          1HE       MET  21   6.723  10.491  -1.927
  188   2HE   MET  21          2HE       MET  21   5.300   9.979  -1.019
  189   3HE   MET  21          3HE       MET  21   5.153  11.221  -2.260
  190    H    LEU  22           H        LEU  22   4.608   5.990  -0.423
  191    HA   LEU  22           HA       LEU  22   4.632   3.976  -2.456
  192   1HB   LEU  22          2HB       LEU  22   3.252   3.300   0.087
  193   2HB   LEU  22          1HB       LEU  22   3.703   2.300  -1.273
  194    HG   LEU  22           HG       LEU  22   5.928   3.521   0.257
  195   1HD1  LEU  22          1HD1      LEU  22   5.090   2.865   2.222
  196   2HD1  LEU  22          2HD1      LEU  22   5.601   1.264   1.693
  197   3HD1  LEU  22          3HD1      LEU  22   3.924   1.767   1.481
  198   1HD2  LEU  22          1HD2      LEU  22   5.405   1.097  -1.355
  199   2HD2  LEU  22          2HD2      LEU  22   6.584   0.959  -0.051
  200   3HD2  LEU  22          3HD2      LEU  22   6.811   2.159  -1.324
  201    HA   PRO  23           HA       PRO  23   0.552   5.401  -3.170
  202   1HB   PRO  23          2HB       PRO  23  -0.413   3.189  -4.437
  203   2HB   PRO  23          1HB       PRO  23   0.733   4.321  -5.132
  204   1HG   PRO  23          2HG       PRO  23   1.163   1.583  -4.380
  205   2HG   PRO  23          1HG       PRO  23   2.266   2.686  -5.218
  206   1HD   PRO  23          2HD       PRO  23   2.146   1.969  -2.383
  207   2HD   PRO  23          1HD       PRO  23   3.466   2.690  -3.290
  208    H    GLN  24           H        GLN  24   0.955   2.552  -1.285
  209    HA   GLN  24           HA       GLN  24  -1.688   1.831  -0.803
  210   1HB   GLN  24          2HB       GLN  24  -0.744   1.010   1.451
  211   2HB   GLN  24          1HB       GLN  24  -0.121   0.273  -0.017
  212   1HG   GLN  24          2HG       GLN  24   1.764   0.644   1.288
  213   2HG   GLN  24          1HG       GLN  24   1.771   1.997   0.163
  214   1HE2  GLN  24          1HE2      GLN  24   0.384   1.188   3.323
  215   2HE2  GLN  24          2HE2      GLN  24   0.771   2.696   4.071
  216    H    LEU  25           H        LEU  25   0.024   4.637   0.102
  217    HA   LEU  25           HA       LEU  25  -1.718   5.237   2.342
  218   1HB   LEU  25          2HB       LEU  25   0.578   6.567   1.015
  219   2HB   LEU  25          1HB       LEU  25  -0.554   7.600   1.853
  220    HG   LEU  25           HG       LEU  25   0.444   7.191   3.793
  221   1HD1  LEU  25          1HD1      LEU  25  -0.895   5.344   4.316
  222   2HD1  LEU  25          2HD1      LEU  25   0.756   4.806   4.624
  223   3HD1  LEU  25          3HD1      LEU  25  -0.074   4.305   3.151
  224   1HD2  LEU  25          1HD2      LEU  25   2.568   7.152   3.074
  225   2HD2  LEU  25          2HD2      LEU  25   2.253   5.909   1.864
  226   3HD2  LEU  25          3HD2      LEU  25   2.495   5.456   3.552
  227    H    VAL  26           H        VAL  26  -1.215   6.595  -0.867
  228    HA   VAL  26           HA       VAL  26  -3.526   8.282  -0.705
  229    HB   VAL  26           HB       VAL  26  -2.387   7.401  -3.328
  230   1HG1  VAL  26          1HG1      VAL  26  -3.595   9.926  -2.237
  231   2HG1  VAL  26          2HG1      VAL  26  -4.207   8.881  -3.519
  232   3HG1  VAL  26          3HG1      VAL  26  -2.770   9.867  -3.795
  233   1HG2  VAL  26          1HG2      VAL  26  -0.332   7.834  -2.395
  234   2HG2  VAL  26          2HG2      VAL  26  -0.980   9.006  -1.248
  235   3HG2  VAL  26          3HG2      VAL  26  -0.782   9.448  -2.944
  236    H    CYS  27           H        CYS  27  -2.769   5.060  -1.490
  237    HA   CYS  27           HA       CYS  27  -4.897   4.313  -3.083
  238   1HB   CYS  27          2HB       CYS  27  -3.596   2.555  -3.041
  239   2HB   CYS  27          1HB       CYS  27  -2.806   3.029  -1.565
  240    H    ARG  28           H        ARG  28  -4.542   4.176   0.429
  241    HA   ARG  28           HA       ARG  28  -7.200   3.259   0.700
  242   1HB   ARG  28          2HB       ARG  28  -5.977   4.736   2.979
  243   2HB   ARG  28          1HB       ARG  28  -6.901   3.242   2.983
  244   1HG   ARG  28          2HG       ARG  28  -5.029   2.057   3.078
  245   2HG   ARG  28          1HG       ARG  28  -4.451   2.798   1.597
  246   1HD   ARG  28          2HD       ARG  28  -3.388   4.546   2.756
  247   2HD   ARG  28          1HD       ARG  28  -4.278   4.216   4.237
  248    HE   ARG  28           HE       ARG  28  -1.841   2.988   3.376
  249   1HH1  ARG  28          1HH1      ARG  28  -4.734   2.507   5.276
  250   2HH1  ARG  28          2HH1      ARG  28  -3.991   1.365   6.345
  251   1HH2  ARG  28          1HH2      ARG  28  -0.866   1.490   4.796
  252   2HH2  ARG  28          2HH2      ARG  28  -1.799   0.791   6.075
  253    H    LEU  29           H        LEU  29  -5.781   6.358   0.263
  254    HA   LEU  29           HA       LEU  29  -7.962   7.893   1.304
  255   1HB   LEU  29          2HB       LEU  29  -5.475   8.447  -0.200
  256   2HB   LEU  29          1HB       LEU  29  -6.760   9.633  -0.342
  257    HG   LEU  29           HG       LEU  29  -5.672   8.693   2.307
  258   1HD1  LEU  29          1HD1      LEU  29  -4.147  10.021   0.548
  259   2HD1  LEU  29          2HD1      LEU  29  -4.059  10.279   2.291
  260   3HD1  LEU  29          3HD1      LEU  29  -4.997  11.381   1.283
  261   1HD2  LEU  29          1HD2      LEU  29  -6.995  10.280   3.282
  262   2HD2  LEU  29          2HD2      LEU  29  -8.009   9.854   1.904
  263   3HD2  LEU  29          3HD2      LEU  29  -7.013  11.307   1.847
  264    H    VAL  30           H        VAL  30  -7.173   6.522  -1.792
  265    HA   VAL  30           HA       VAL  30  -9.353   7.935  -3.117
  266    HB   VAL  30           HB       VAL  30  -7.398   5.895  -4.213
  267   1HG1  VAL  30          1HG1      VAL  30  -9.380   5.835  -5.547
  268   2HG1  VAL  30          2HG1      VAL  30  -8.185   6.784  -6.429
  269   3HG1  VAL  30          3HG1      VAL  30  -9.494   7.594  -5.569
  270   1HG2  VAL  30          1HG2      VAL  30  -5.980   7.630  -4.055
  271   2HG2  VAL  30          2HG2      VAL  30  -7.279   8.800  -3.818
  272   3HG2  VAL  30          3HG2      VAL  30  -6.857   8.269  -5.445
  273    H    LEU  31           H        LEU  31  -8.636   4.791  -1.831
  274    HA   LEU  31           HA       LEU  31 -11.018   3.663  -3.045
  275   1HB   LEU  31          2HB       LEU  31  -8.611   2.601  -1.791
  276   2HB   LEU  31          1HB       LEU  31 -10.074   1.729  -1.362
  277    HG   LEU  31           HG       LEU  31 -10.511   1.822  -3.944
  278   1HD1  LEU  31          1HD1      LEU  31  -8.855   2.428  -5.282
  279   2HD1  LEU  31          2HD1      LEU  31  -7.700   1.405  -4.428
  280   3HD1  LEU  31          3HD1      LEU  31  -8.021   3.042  -3.855
  281   1HD2  LEU  31          1HD2      LEU  31  -8.416  -0.110  -3.023
  282   2HD2  LEU  31          2HD2      LEU  31  -9.776  -0.383  -4.108
  283   3HD2  LEU  31          3HD2      LEU  31 -10.057  -0.163  -2.383
  284    H    ARG  32           H        ARG  32 -10.344   5.420  -0.322
  285    HA   ARG  32           HA       ARG  32 -12.261   4.128   1.427
  286   1HB   ARG  32          2HB       ARG  32 -11.909   6.104   2.895
  287   2HB   ARG  32          1HB       ARG  32 -10.414   5.274   2.493
  288   1HG   ARG  32          2HG       ARG  32  -9.916   7.553   2.334
  289   2HG   ARG  32          1HG       ARG  32 -10.111   7.010   0.673
  290   1HD   ARG  32          2HD       ARG  32 -11.206   9.225   1.352
  291   2HD   ARG  32          1HD       ARG  32 -12.173   8.070   0.436
  292    HE   ARG  32           HE       ARG  32 -12.433   7.907   3.314
  293   1HH1  ARG  32          1HH1      ARG  32 -13.684   9.273   0.354
  294   2HH1  ARG  32          2HH1      ARG  32 -15.254   9.584   1.017
  295   1HH2  ARG  32          1HH2      ARG  32 -14.495   8.321   4.185
  296   2HH2  ARG  32          2HH2      ARG  32 -15.713   9.045   3.190
  297    H    CYS  33           H        CYS  33 -12.417   5.931  -1.289
  298    HA   CYS  33           HA       CYS  33 -14.199   7.945  -1.074
  299   1HB   CYS  33          2HB       CYS  33 -14.461   7.728  -3.361
  300   2HB   CYS  33          1HB       CYS  33 -13.009   6.781  -3.108
  301    H    SER  34           H        SER  34 -16.554   7.860  -1.945
  302    HA   SER  34           HA       SER  34 -18.733   7.332  -1.562
  303   1HB   SER  34          2HB       SER  34 -17.976   5.164  -2.641
  304   2HB   SER  34          1HB       SER  34 -17.803   4.510  -1.012
  305    HG   SER  34           HG       SER  34 -19.875   4.223  -0.971
  Start of MODEL   15
    1   1H    CYS   1          1HT       CYS   1 -16.007   0.216  -3.431
    2   2H    CYS   1          2HT       CYS   1 -16.093   0.052  -1.725
    3   3H    CYS   1          3HT       CYS   1 -15.088  -0.995  -2.641
    4    HA   CYS   1           HA       CYS   1 -13.638   0.722  -3.195
    5   1HB   CYS   1          2HB       CYS   1 -15.945   2.354  -2.296
    6   2HB   CYS   1          1HB       CYS   1 -14.355   3.000  -1.913
    7    H    TRP   2           H        TRP   2 -13.164  -1.134  -1.490
    8    HA   TRP   2           HA       TRP   2 -11.870   0.182   0.711
    9   1HB   TRP   2          2HB       TRP   2 -12.969  -1.529   2.355
   10   2HB   TRP   2          1HB       TRP   2 -13.790  -0.022   1.967
   11    HD1  TRP   2           HD       TRP   2 -13.857  -2.943  -0.499
   12    HE1  TRP   2           1HE      TRP   2 -16.268  -3.828  -0.661
   13    HE3  TRP   2           3HE      TRP   2 -15.977  -0.221   3.275
   14    HZ2  TRP   2           2HZ      TRP   2 -18.740  -3.432   0.644
   15    HZ3  TRP   2           3HZ      TRP   2 -18.367  -0.538   3.758
   16    HH2  TRP   2           HH       TRP   2 -19.721  -2.109   2.468
   17    H    LEU   3           H        LEU   3 -11.307  -1.608  -1.636
   18    HA   LEU   3           HA       LEU   3 -10.262  -4.038  -0.435
   19   1HB   LEU   3          2HB       LEU   3  -9.955  -2.953  -3.236
   20   2HB   LEU   3          1HB       LEU   3  -9.483  -4.555  -2.702
   21    HG   LEU   3           HG       LEU   3 -12.305  -3.490  -2.820
   22   1HD1  LEU   3          1HD1      LEU   3 -10.668  -5.242  -4.597
   23   2HD1  LEU   3          2HD1      LEU   3 -11.772  -3.932  -5.017
   24   3HD1  LEU   3          3HD1      LEU   3 -12.410  -5.487  -4.483
   25   1HD2  LEU   3          1HD2      LEU   3 -12.667  -6.081  -2.474
   26   2HD2  LEU   3          2HD2      LEU   3 -12.477  -4.987  -1.103
   27   3HD2  LEU   3          3HD2      LEU   3 -11.108  -5.950  -1.657
   28    H    CYS   4           H        CYS   4  -9.306  -0.937  -0.407
   29    HA   CYS   4           HA       CYS   4  -6.706  -0.819  -1.225
   30   1HB   CYS   4          2HB       CYS   4  -8.438   0.720   0.412
   31   2HB   CYS   4          1HB       CYS   4  -6.859   0.631   1.194
   32    H    ARG   5           H        ARG   5  -7.527  -1.182   2.202
   33    HA   ARG   5           HA       ARG   5  -5.280  -1.824   3.417
   34   1HB   ARG   5          2HB       ARG   5  -6.682  -3.841   4.490
   35   2HB   ARG   5          1HB       ARG   5  -6.999  -2.153   4.868
   36   1HG   ARG   5          2HG       ARG   5  -8.985  -2.144   3.796
   37   2HG   ARG   5          1HG       ARG   5  -8.427  -3.235   2.526
   38   1HD   ARG   5          2HD       ARG   5  -8.681  -5.136   3.970
   39   2HD   ARG   5          1HD       ARG   5  -9.043  -4.097   5.348
   40    HE   ARG   5           HE       ARG   5 -10.971  -3.459   3.557
   41   1HH1  ARG   5          1HH1      ARG   5  -9.849  -6.479   4.895
   42   2HH1  ARG   5          2HH1      ARG   5 -11.400  -7.244   4.791
   43   1HH2  ARG   5          1HH2      ARG   5 -13.011  -4.463   3.419
   44   2HH2  ARG   5          2HH2      ARG   5 -13.195  -6.099   3.954
   45    H    ALA   6           H        ALA   6  -6.884  -3.932   1.126
   46    HA   ALA   6           HA       ALA   6  -5.208  -6.176   1.468
   47   1HB   ALA   6          1HB       ALA   6  -7.472  -5.570  -0.030
   48   2HB   ALA   6          2HB       ALA   6  -6.606  -7.106   0.004
   49   3HB   ALA   6          3HB       ALA   6  -6.221  -5.903  -1.227
   50    H    LEU   7           H        LEU   7  -5.292  -3.991  -1.389
   51    HA   LEU   7           HA       LEU   7  -2.798  -4.802  -2.323
   52   1HB   LEU   7          2HB       LEU   7  -3.035  -3.315  -4.021
   53   2HB   LEU   7          1HB       LEU   7  -4.695  -3.424  -3.484
   54    HG   LEU   7           HG       LEU   7  -4.188  -1.135  -3.970
   55   1HD1  LEU   7          1HD1      LEU   7  -4.066  -1.086  -1.014
   56   2HD1  LEU   7          2HD1      LEU   7  -5.419  -1.909  -1.792
   57   3HD1  LEU   7          3HD1      LEU   7  -5.112  -0.207  -2.131
   58   1HD2  LEU   7          1HD2      LEU   7  -2.236  -0.691  -1.848
   59   2HD2  LEU   7          2HD2      LEU   7  -2.283  -0.070  -3.499
   60   3HD2  LEU   7          3HD2      LEU   7  -1.630  -1.678  -3.178
   61    H    ILE   8           H        ILE   8  -3.503  -2.687   0.308
   62    HA   ILE   8           HA       ILE   8  -1.117  -1.229   0.078
   63    HB   ILE   8           HB       ILE   8  -1.378  -0.460   2.334
   64   1HG1  ILE   8          2HG1      ILE   8  -3.622  -1.522   3.433
   65   2HG1  ILE   8          1HG1      ILE   8  -2.947  -2.923   2.613
   66   1HG2  ILE   8          1HG2      ILE   8  -4.204  -0.611   1.384
   67   2HG2  ILE   8          2HG2      ILE   8  -2.988   0.219   0.411
   68   3HG2  ILE   8          3HG2      ILE   8  -3.315   0.755   2.059
   69   1HD1  ILE   8          1HD1      ILE   8  -2.301  -2.395   5.074
   70   2HD1  ILE   8          2HD1      ILE   8  -1.182  -1.256   4.325
   71   3HD1  ILE   8          3HD1      ILE   8  -1.082  -2.974   3.938
   72    H    LYS   9           H        LYS   9  -2.039  -4.225   1.558
   73    HA   LYS   9           HA       LYS   9   0.408  -4.751   2.859
   74   1HB   LYS   9          2HB       LYS   9  -0.711  -6.580   3.504
   75   2HB   LYS   9          1HB       LYS   9  -2.006  -6.076   2.446
   76   1HG   LYS   9          2HG       LYS   9   0.138  -7.500   1.060
   77   2HG   LYS   9          1HG       LYS   9  -0.688  -8.454   2.278
   78   1HD   LYS   9          2HD       LYS   9  -2.061  -8.882   0.523
   79   2HD   LYS   9          1HD       LYS   9  -2.825  -7.402   1.098
   80   1HE   LYS   9          2HE       LYS   9  -1.803  -6.091  -0.591
   81   2HE   LYS   9          1HE       LYS   9  -0.655  -7.374  -0.983
   82   1HZ   LYS   9          1HZ       LYS   9  -2.846  -6.924  -2.394
   83   2HZ   LYS   9          2HZ       LYS   9  -3.475  -8.033  -1.285
   84   3HZ   LYS   9          3HZ       LYS   9  -2.157  -8.463  -2.250
   85    H    ARG  10           H        ARG  10  -0.723  -4.958  -0.394
   86    HA   ARG  10           HA       ARG  10   1.253  -6.612  -1.483
   87   1HB   ARG  10          2HB       ARG  10  -0.823  -4.896  -2.488
   88   2HB   ARG  10          1HB       ARG  10   0.653  -4.599  -3.396
   89   1HG   ARG  10          2HG       ARG  10  -0.902  -7.140  -3.119
   90   2HG   ARG  10          1HG       ARG  10  -0.472  -6.259  -4.583
   91   1HD   ARG  10          2HD       ARG  10   1.274  -7.625  -4.797
   92   2HD   ARG  10          1HD       ARG  10   1.959  -6.876  -3.357
   93    HE   ARG  10           HE       ARG  10   0.124  -8.919  -2.652
   94   1HH1  ARG  10          1HH1      ARG  10   3.359  -8.399  -3.855
   95   2HH1  ARG  10          2HH1      ARG  10   3.964  -9.903  -3.247
   96   1HH2  ARG  10          1HH2      ARG  10   0.916 -10.908  -1.860
   97   2HH2  ARG  10          2HH2      ARG  10   2.577 -11.329  -2.117
   98    H    ILE  11           H        ILE  11   1.153  -3.359  -0.410
   99    HA   ILE  11           HA       ILE  11   3.626  -2.587  -1.597
  100    HB   ILE  11           HB       ILE  11   2.123  -1.363   0.717
  101   1HG1  ILE  11          2HG1      ILE  11   0.862  -1.038  -1.267
  102   2HG1  ILE  11          1HG1      ILE  11   1.753   0.461  -1.039
  103   1HG2  ILE  11          1HG2      ILE  11   3.641   0.424   0.728
  104   2HG2  ILE  11          2HG2      ILE  11   4.382  -0.089  -0.788
  105   3HG2  ILE  11          3HG2      ILE  11   4.641  -1.029   0.682
  106   1HD1  ILE  11          1HD1      ILE  11   3.413  -0.320  -2.682
  107   2HD1  ILE  11          2HD1      ILE  11   1.791  -0.151  -3.351
  108   3HD1  ILE  11          3HD1      ILE  11   2.420  -1.751  -2.959
  109    H    GLN  12           H        GLN  12   2.596  -4.084   1.426
  110    HA   GLN  12           HA       GLN  12   5.063  -3.869   2.779
  111   1HB   GLN  12          2HB       GLN  12   4.218  -5.371   4.330
  112   2HB   GLN  12          1HB       GLN  12   2.735  -4.742   3.632
  113   1HG   GLN  12          2HG       GLN  12   2.101  -6.795   3.142
  114   2HG   GLN  12          1HG       GLN  12   3.499  -6.987   2.090
  115   1HE2  GLN  12          1HE2      GLN  12   5.535  -7.619   3.179
  116   2HE2  GLN  12          2HE2      GLN  12   5.437  -8.739   4.492
  117    H    ALA  13           H        ALA  13   3.958  -5.693   0.113
  118    HA   ALA  13           HA       ALA  13   6.114  -7.586   0.189
  119   1HB   ALA  13          1HB       ALA  13   4.760  -8.777  -1.116
  120   2HB   ALA  13          2HB       ALA  13   4.861  -7.537  -2.365
  121   3HB   ALA  13          3HB       ALA  13   3.610  -7.441  -1.125
  122    H    MET  14           H        MET  14   5.419  -4.485  -1.135
  123    HA   MET  14           HA       MET  14   7.164  -4.323  -3.278
  124   1HB   MET  14          2HB       MET  14   7.122  -1.978  -3.039
  125   2HB   MET  14          1HB       MET  14   5.584  -2.499  -2.370
  126   1HG   MET  14          2HG       MET  14   6.078  -1.262  -0.601
  127   2HG   MET  14          1HG       MET  14   7.264  -2.486  -0.181
  128   1HE   MET  14          1HE       MET  14   7.340   0.995   0.449
  129   2HE   MET  14          2HE       MET  14   9.080   0.821   0.679
  130   3HE   MET  14          3HE       MET  14   7.983  -0.432   1.261
  131    H    ILE  15           H        ILE  15   7.694  -4.311   0.161
  132    HA   ILE  15           HA       ILE  15   9.626  -5.245   1.136
  133    HB   ILE  15           HB       ILE  15  11.806  -5.144   0.316
  134   1HG1  ILE  15          2HG1      ILE  15  12.639  -3.336  -0.692
  135   2HG1  ILE  15          1HG1      ILE  15  11.853  -3.864  -2.165
  136   1HG2  ILE  15          1HG2      ILE  15  10.991  -5.590  -2.345
  137   2HG2  ILE  15          2HG2      ILE  15   9.716  -6.161  -1.267
  138   3HG2  ILE  15          3HG2      ILE  15  11.363  -6.760  -1.082
  139   1HD1  ILE  15          1HD1      ILE  15  10.930  -1.843  -2.141
  140   2HD1  ILE  15          2HD1      ILE  15  11.274  -1.595  -0.431
  141   3HD1  ILE  15          3HD1      ILE  15   9.853  -2.498  -0.922
  142    HA   PRO  16           HA       PRO  16  10.491  -1.632   3.479
  143   1HB   PRO  16          2HB       PRO  16  12.301  -2.569   5.192
  144   2HB   PRO  16          1HB       PRO  16  10.667  -3.244   5.136
  145   1HG   PRO  16          2HG       PRO  16  13.217  -4.356   4.070
  146   2HG   PRO  16          1HG       PRO  16  11.834  -5.202   4.783
  147   1HD   PRO  16          2HD       PRO  16  12.364  -4.890   2.035
  148   2HD   PRO  16          1HD       PRO  16  10.849  -5.453   2.756
  149    H    LYS  17           H        LYS  17  13.534  -3.241   2.490
  150    HA   LYS  17           HA       LYS  17  15.111  -0.891   2.805
  151   1HB   LYS  17          2HB       LYS  17  15.734  -3.450   1.326
  152   2HB   LYS  17          1HB       LYS  17  16.901  -2.209   1.760
  153   1HG   LYS  17          2HG       LYS  17  16.054  -2.651   4.181
  154   2HG   LYS  17          1HG       LYS  17  15.497  -4.180   3.497
  155   1HD   LYS  17          2HD       LYS  17  17.558  -4.969   3.799
  156   2HD   LYS  17          1HD       LYS  17  18.096  -3.862   2.534
  157   1HE   LYS  17          2HE       LYS  17  19.089  -2.479   4.000
  158   2HE   LYS  17          1HE       LYS  17  17.779  -2.623   5.171
  159   1HZ   LYS  17          1HZ       LYS  17  18.679  -4.654   5.972
  160   2HZ   LYS  17          2HZ       LYS  17  19.946  -3.535   5.926
  161   3HZ   LYS  17          3HZ       LYS  17  19.825  -4.725   4.730
  162    H    GLY  18           H        GLY  18  13.023  -1.904   0.323
  163   1HA   GLY  18          2HA       GLY  18  14.353  -1.013  -1.975
  164   2HA   GLY  18          1HA       GLY  18  12.613  -1.062  -1.784
  165    H    GLY  19           H        GLY  19  11.554   0.842  -1.838
  166   1HA   GLY  19          2HA       GLY  19  12.506   3.171  -0.584
  167   2HA   GLY  19          1HA       GLY  19  12.934   3.237  -2.281
  168    H    ARG  20           H        ARG  20   9.922   1.716  -1.245
  169    HA   ARG  20           HA       ARG  20   8.541   4.026  -2.439
  170   1HB   ARG  20          2HB       ARG  20   7.442   1.228  -2.283
  171   2HB   ARG  20          1HB       ARG  20   6.737   2.591  -3.116
  172   1HG   ARG  20          2HG       ARG  20   9.289   1.176  -3.830
  173   2HG   ARG  20          1HG       ARG  20   7.758   1.131  -4.709
  174   1HD   ARG  20          2HD       ARG  20   8.552   2.822  -5.926
  175   2HD   ARG  20          1HD       ARG  20   8.312   3.831  -4.500
  176    HE   ARG  20           HE       ARG  20  10.831   2.440  -4.545
  177   1HH1  ARG  20          1HH1      ARG  20   9.132   5.320  -5.545
  178   2HH1  ARG  20          2HH1      ARG  20  10.568   6.282  -5.646
  179   1HH2  ARG  20          1HH2      ARG  20  12.717   3.700  -4.673
  180   2HH2  ARG  20          2HH2      ARG  20  12.606   5.362  -5.150
  181    H    MET  21           H        MET  21   6.062   3.754  -1.778
  182    HA   MET  21           HA       MET  21   4.716   3.213   0.318
  183   1HB   MET  21          2HB       MET  21   5.315   4.631   2.257
  184   2HB   MET  21          1HB       MET  21   6.599   3.485   1.898
  185   1HG   MET  21          2HG       MET  21   7.521   5.515   0.475
  186   2HG   MET  21          1HG       MET  21   6.542   6.441   1.609
  187   1HE   MET  21          1HE       MET  21   7.910   5.495   5.020
  188   2HE   MET  21          2HE       MET  21   6.492   5.877   4.044
  189   3HE   MET  21          3HE       MET  21   7.772   7.072   4.247
  190    H    LEU  22           H        LEU  22   2.959   4.225  -0.584
  191    HA   LEU  22           HA       LEU  22   2.422   6.923  -0.411
  192   1HB   LEU  22          2HB       LEU  22   4.277   7.508  -1.691
  193   2HB   LEU  22          1HB       LEU  22   4.078   6.158  -2.778
  194    HG   LEU  22           HG       LEU  22   3.639   8.555  -3.625
  195   1HD1  LEU  22          1HD1      LEU  22   3.080   7.190  -5.289
  196   2HD1  LEU  22          2HD1      LEU  22   1.415   7.405  -4.744
  197   3HD1  LEU  22          3HD1      LEU  22   2.349   6.012  -4.198
  198   1HD2  LEU  22          1HD2      LEU  22   1.660   8.400  -1.598
  199   2HD2  LEU  22          2HD2      LEU  22   0.847   8.454  -3.162
  200   3HD2  LEU  22          3HD2      LEU  22   1.989   9.720  -2.720
  201    HA   PRO  23           HA       PRO  23  -0.430   5.012  -3.710
  202   1HB   PRO  23          2HB       PRO  23   0.228   2.306  -4.291
  203   2HB   PRO  23          1HB       PRO  23   0.418   3.728  -5.315
  204   1HG   PRO  23          2HG       PRO  23   2.515   2.247  -4.288
  205   2HG   PRO  23          1HG       PRO  23   2.637   3.930  -4.835
  206   1HD   PRO  23          2HD       PRO  23   2.226   2.875  -2.052
  207   2HD   PRO  23          1HD       PRO  23   3.329   4.157  -2.613
  208    H    GLN  24           H        GLN  24   0.602   3.125  -1.018
  209    HA   GLN  24           HA       GLN  24  -1.982   1.761  -0.767
  210   1HB   GLN  24          2HB       GLN  24  -0.931   0.775   1.300
  211   2HB   GLN  24          1HB       GLN  24  -0.166   0.316  -0.211
  212   1HG   GLN  24          2HG       GLN  24   1.774   1.042   0.573
  213   2HG   GLN  24          1HG       GLN  24   1.115   2.664   0.730
  214   1HE2  GLN  24          1HE2      GLN  24   3.004   2.048   2.433
  215   2HE2  GLN  24          2HE2      GLN  24   2.376   1.741   4.012
  216    H    LEU  25           H        LEU  25  -0.238   4.497   0.437
  217    HA   LEU  25           HA       LEU  25  -2.155   4.928   2.568
  218   1HB   LEU  25          2HB       LEU  25  -0.122   6.961   1.772
  219   2HB   LEU  25          1HB       LEU  25  -0.897   6.714   3.325
  220    HG   LEU  25           HG       LEU  25   1.282   6.025   3.693
  221   1HD1  LEU  25          1HD1      LEU  25   1.197   3.575   3.935
  222   2HD1  LEU  25          2HD1      LEU  25  -0.283   3.555   2.978
  223   3HD1  LEU  25          3HD1      LEU  25  -0.250   4.380   4.537
  224   1HD2  LEU  25          1HD2      LEU  25   1.269   5.438   0.886
  225   2HD2  LEU  25          2HD2      LEU  25   1.930   4.077   1.792
  226   3HD2  LEU  25          3HD2      LEU  25   2.631   5.682   1.977
  227    H    VAL  26           H        VAL  26  -1.313   6.162  -0.575
  228    HA   VAL  26           HA       VAL  26  -3.360   8.208  -0.522
  229    HB   VAL  26           HB       VAL  26  -1.679   7.118  -2.786
  230   1HG1  VAL  26          1HG1      VAL  26  -3.782   9.274  -2.830
  231   2HG1  VAL  26          2HG1      VAL  26  -3.752   7.784  -3.773
  232   3HG1  VAL  26          3HG1      VAL  26  -2.575   9.057  -4.097
  233   1HG2  VAL  26          1HG2      VAL  26  -1.639   9.732  -1.289
  234   2HG2  VAL  26          2HG2      VAL  26  -0.687   9.400  -2.735
  235   3HG2  VAL  26          3HG2      VAL  26  -0.406   8.474  -1.260
  236    H    CYS  27           H        CYS  27  -2.794   4.958  -1.483
  237    HA   CYS  27           HA       CYS  27  -4.935   4.306  -3.040
  238   1HB   CYS  27          2HB       CYS  27  -4.051   2.303  -2.728
  239   2HB   CYS  27          1HB       CYS  27  -2.980   2.989  -1.539
  240    H    ARG  28           H        ARG  28  -4.747   4.277   0.455
  241    HA   ARG  28           HA       ARG  28  -7.465   3.699   0.823
  242   1HB   ARG  28          2HB       ARG  28  -5.929   5.219   2.891
  243   2HB   ARG  28          1HB       ARG  28  -7.110   3.936   3.114
  244   1HG   ARG  28          2HG       ARG  28  -5.523   2.335   3.061
  245   2HG   ARG  28          1HG       ARG  28  -4.735   3.053   1.691
  246   1HD   ARG  28          2HD       ARG  28  -3.091   3.536   3.121
  247   2HD   ARG  28          1HD       ARG  28  -4.130   4.853   3.644
  248    HE   ARG  28           HE       ARG  28  -3.330   2.589   5.137
  249   1HH1  ARG  28          1HH1      ARG  28  -5.965   4.838   4.732
  250   2HH1  ARG  28          2HH1      ARG  28  -6.637   4.528   6.292
  251   1HH2  ARG  28          1HH2      ARG  28  -4.204   2.197   7.201
  252   2HH2  ARG  28          2HH2      ARG  28  -5.636   3.036   7.697
  253    H    LEU  29           H        LEU  29  -5.721   6.621   0.233
  254    HA   LEU  29           HA       LEU  29  -7.766   8.398   1.098
  255   1HB   LEU  29          2HB       LEU  29  -5.262   8.634  -0.474
  256   2HB   LEU  29          1HB       LEU  29  -6.446   9.911  -0.671
  257    HG   LEU  29           HG       LEU  29  -5.229   9.058   1.957
  258   1HD1  LEU  29          1HD1      LEU  29  -3.491  10.124   0.854
  259   2HD1  LEU  29          2HD1      LEU  29  -4.255  11.442   1.740
  260   3HD1  LEU  29          3HD1      LEU  29  -4.570  11.241   0.016
  261   1HD2  LEU  29          1HD2      LEU  29  -6.252  11.473   2.437
  262   2HD2  LEU  29          2HD2      LEU  29  -7.175   9.989   2.668
  263   3HD2  LEU  29          3HD2      LEU  29  -7.388  10.939   1.198
  264    H    VAL  30           H        VAL  30  -7.036   6.778  -1.898
  265    HA   VAL  30           HA       VAL  30  -9.187   8.147  -3.306
  266    HB   VAL  30           HB       VAL  30  -7.348   5.986  -4.324
  267   1HG1  VAL  30          1HG1      VAL  30  -9.006   5.950  -5.882
  268   2HG1  VAL  30          2HG1      VAL  30  -8.082   7.312  -6.516
  269   3HG1  VAL  30          3HG1      VAL  30  -9.520   7.602  -5.537
  270   1HG2  VAL  30          1HG2      VAL  30  -7.069   8.947  -4.145
  271   2HG2  VAL  30          2HG2      VAL  30  -6.418   8.120  -5.560
  272   3HG2  VAL  30          3HG2      VAL  30  -5.855   7.682  -3.947
  273    H    LEU  31           H        LEU  31  -8.356   4.837  -2.452
  274    HA   LEU  31           HA       LEU  31 -10.756   3.736  -3.456
  275   1HB   LEU  31          2HB       LEU  31  -8.399   2.666  -2.665
  276   2HB   LEU  31          1HB       LEU  31  -9.425   2.230  -1.309
  277    HG   LEU  31           HG       LEU  31 -10.974   1.091  -2.816
  278   1HD1  LEU  31          1HD1      LEU  31  -9.251   2.351  -4.875
  279   2HD1  LEU  31          2HD1      LEU  31 -10.996   2.100  -4.853
  280   3HD1  LEU  31          3HD1      LEU  31  -9.916   0.754  -5.220
  281   1HD2  LEU  31          1HD2      LEU  31  -8.881  -0.383  -3.893
  282   2HD2  LEU  31          2HD2      LEU  31  -9.674  -0.649  -2.342
  283   3HD2  LEU  31          3HD2      LEU  31  -8.210   0.328  -2.427
  284    H    ARG  32           H        ARG  32 -10.077   5.422  -0.554
  285    HA   ARG  32           HA       ARG  32 -11.879   4.294   1.242
  286   1HB   ARG  32          2HB       ARG  32 -10.575   6.038   2.123
  287   2HB   ARG  32          1HB       ARG  32 -10.949   7.119   0.789
  288   1HG   ARG  32          2HG       ARG  32 -13.073   6.247   2.715
  289   2HG   ARG  32          1HG       ARG  32 -11.991   7.589   3.089
  290   1HD   ARG  32          2HD       ARG  32 -12.878   8.055   0.479
  291   2HD   ARG  32          1HD       ARG  32 -14.303   7.516   1.364
  292    HE   ARG  32           HE       ARG  32 -12.889   9.992   1.690
  293   1HH1  ARG  32          1HH1      ARG  32 -14.997   7.675   3.229
  294   2HH1  ARG  32          2HH1      ARG  32 -15.639   8.819   4.359
  295   1HH2  ARG  32          1HH2      ARG  32 -13.732  11.500   3.179
  296   2HH2  ARG  32          2HH2      ARG  32 -14.921  10.991   4.331
  297    H    CYS  33           H        CYS  33 -12.307   6.206  -1.576
  298    HA   CYS  33           HA       CYS  33 -14.460   7.429  -1.961
  299   1HB   CYS  33          2HB       CYS  33 -13.996   6.726  -4.034
  300   2HB   CYS  33          1HB       CYS  33 -13.273   5.249  -3.425
  301    H    SER  34           H        SER  34 -16.421   7.594  -1.130
  302    HA   SER  34           HA       SER  34 -18.327   5.538  -1.103
  303   1HB   SER  34          2HB       SER  34 -17.084   4.545   0.706
  304   2HB   SER  34          1HB       SER  34 -16.993   6.088   1.556
  305    HG   SER  34           HG       SER  34 -19.407   4.720   0.961