*HEADER    PROTEIN BINDING                         01-MAR-02   1L3X              
*TITLE     SOLUTION STRUCTURE OF NOVEL DISINTEGRIN SALMOSIN                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PLATELET AGGREGATION INHIBITOR DISINTEGRIN;                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 1-73;                                             
*COMPND   5 SYNONYM: SALMOSIN                                                    
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: AGKISTRODON HALYS BREVICAUDUS;                  
*SOURCE   3 ORGANISM_COMMON: SNAKE                                               
*KEYWDS    DISINTEGRIN, SNAKE VENOME, RGD                                        
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    J.SHIN, W.LEE                                                         
*REVDAT   1   23-DEC-03 1L3X    0                                                

!!Hydrogen Bond
!NH-O
assign (resid 20 and name HN) (resid 17 and name O) 2.4 0.6 0.2
assign (resid 28 and name HN) (resid 26 and name O) 2.4 0.6 0.2
assign (resid 39 and name HN) (resid 36 and name O) 2.4 0.6 0.2
assign (resid 45 and name HN) (resid 59 and name O) 2.4 0.6 0.2
assign (resid 48 and name HN) (resid 57 and name O) 2.4 0.6 0.2
assign (resid 49 and name HN) (resid 56 and name O) 2.4 0.8 0.2
assign (resid 54 and name HN) (resid 51 and name O) 2.4 0.6 0.2
assign (resid 62 and name HN) (resid 60 and name O) 2.4 0.6 0.2
assign (resid 63 and name HN) (resid 61 and name O) 2.4 0.6 0.2
!N-O
assign (resid 20 and name N) (resid 17 and name O) 3.4 0.8 0.2
assign (resid 28 and name N) (resid 26 and name O) 3.4 0.8 0.2
assign (resid 39 and name N) (resid 36 and name O) 3.4 0.8 0.2
assign (resid 45 and name N) (resid 59 and name O) 3.4 0.8 0.2
assign (resid 48 and name N) (resid 57 and name O) 3.4 0.8 0.2
assign (resid 49 and name N) (resid 56 and name O) 3.4 0.8 0.2
assign (resid 54 and name N) (resid 51 and name O) 3.4 0.8 0.2
assign (resid 62 and name N) (resid 60 and name O) 3.4 0.8 0.2
assign (resid 63 and name HN) (resid 61 and name O) 3.4 0.8 0.2
!!noe
assign (resid 10 and name HA) (resid 10 and name HB*) 4.0 2.2 2.0
assign (resid 10 and name HA) (resid 10 and name HN) 4.0 2.2 1.0
assign (resid 10 and name HA) (resid 11 and name HA) 4.0 2.2 1.0
assign (resid 10 and name HA) (resid 11 and name HB*) 4.0 2.2 2.0
assign (resid 10 and name HA) (resid 11 and name HD*) 2.5 0.7 1.2
assign (resid 10 and name HA) (resid 11 and name HG*) 4.0 2.2 2.0
assign (resid 10 and name HA) (resid 12 and name HN) 4.0 2.2 1.0
assign (resid 10 and name HA) (resid 13 and name HN) 4.0 2.2 1.0
assign (resid 10 and name HA) (resid 32 and name HN) 4.0 2.2 1.0
assign (resid 10 and name HB*) (resid 10 and name HN) 3.0 1.2 1.3
assign (resid 10 and name HB*) (resid 11 and name HD*) 4.0 2.2 2.0
assign (resid 10 and name HB*) (resid 11 and name HG*) 4.0 2.2 2.0
assign (resid 10 and name HB*) (resid 13 and name HN) 4.0 2.2 2.0
assign (resid 10 and name HN) (resid 11 and name HA) 4.0 2.2 1.0
assign (resid 10 and name HN) (resid 11 and name HD*) 4.0 2.2 2.0
assign (resid 10 and name HN) (resid 32 and name HA*) 4.0 2.2 2.0
assign (resid 11 and name HA) (resid 11 and name HB*) 4.0 2.2 2.0
assign (resid 11 and name HA) (resid 11 and name HD*) 4.0 2.2 2.0
assign (resid 11 and name HA) (resid 11 and name HG*) 4.0 2.2 2.0
assign (resid 11 and name HA) (resid 12 and name HA*) 4.0 2.2 2.0
assign (resid 11 and name HA) (resid 12 and name HN) 4.0 2.2 1.0
assign (resid 11 and name HA) (resid 13 and name HN) 4.0 2.2 1.0
assign (resid 11 and name HA) (resid 33 and name HB*) 4.0 2.2 1.0 
assign (resid 11 and name HA) (resid 33 and name HD*) 4.0 2.2 2.0
assign (resid 11 and name HA) (resid 33 and name HG) 4.0 2.2 1.0
assign (resid 11 and name HA) (resid 34 and name HN) 4.0 2.2 1.0
assign (resid 11 and name HB*) (resid 11 and name HD*) 4.0 2.2 2.0
assign (resid 11 and name HB*) (resid 11 and name HG*) 4.0 2.2 2.0
assign (resid 11 and name HB*) (resid 12 and name HN) 3.0 1.2 1.3
assign (resid 11 and name HB*) (resid 33 and name HB*) 4.0 2.2 2.0
assign (resid 11 and name HB*) (resid 33 and name HD*) 4.0 2.2 2.0
assign (resid 11 and name HD*) (resid 12 and name HN) 4.0 2.2 2.0
assign (resid 11 and name HD*) (resid 33 and name HB*) 4.0 2.2 2.0
assign (resid 11 and name HG*) (resid 11 and name HD*) 4.0 2.2 2.0
assign (resid 11 and name HG*) (resid 12 and name HN) 4.0 2.2 2.0
assign (resid 12 and name HA*) (resid 12 and name HN) 4.0 2.2 2.0
assign (resid 12 and name HA*) (resid 13 and name HN) 4.0 2.2 2.0
assign (resid 12 and name HA*) (resid 35 and name HB*) 4.0 2.2 2.0
assign (resid 12 and name HN) (resid 13 and name HN) 4.0 2.2 1.0
assign (resid 12 and name HN) (resid 14 and name HA) 4.0 2.2 1.0
assign (resid 12 and name HN) (resid 14 and name HD*) 4.0 2.2 2.0
assign (resid 12 and name HN) (resid 34 and name HA) 4.0 2.2 1.0
assign (resid 12 and name HN) (resid 34 and name HB*) 4.0 2.2 2.0
assign (resid 12 and name HN) (resid 34 and name HN) 5.0 3.2 1.0
assign (resid 12 and name HN) (resid 35 and name HA) 4.0 2.2 1.0
assign (resid 12 and name HN) (resid 35 and name HB*) 4.0 2.2 2.0
assign (resid 12 and name HN) (resid 36 and name HN) 5.0 3.2 1.0
assign (resid 13 and name HA) (resid 13 and name HN) 4.0 2.2 1.0
assign (resid 13 and name HA) (resid 14 and name HD*) 4.0 2.2 2.0
assign (resid 13 and name HB*) (resid 13 and name HN) 4.0 2.2 2.0
assign (resid 13 and name HB*) (resid 14 and name HA) 4.0 2.2 2.0
assign (resid 13 and name HB*) (resid 14 and name HD*) 4.0 2.2 2.0
assign (resid 13 and name HN) (resid 14 and name HA) 5.0 3.2 1.0
assign (resid 13 and name HN) (resid 14 and name HD*) 4.0 2.2 2.0
assign (resid 13 and name HN) (resid 14 and name HG*) 4.0 2.2 2.0
assign (resid 14 and name HA) (resid 14 and name HB*) 4.0 2.2 2.0
assign (resid 14 and name HA) (resid 14 and name HD*) 4.0 2.2 2.0
assign (resid 14 and name HA) (resid 14 and name HG*) 4.0 2.2 2.0
assign (resid 14 and name HA) (resid 15 and name HN) 3.0 1.2 0.3
assign (resid 14 and name HA) (resid 34 and name HA) 4.0 2.2 1.0
assign (resid 14 and name HA) (resid 34 and name HB*) 4.0 2.2 2.0 
assign (resid 14 and name HA) (resid 35 and name HN) 4.0 2.2 2.0
assign (resid 14 and name HB*) (resid 14 and name HD*) 3.0 1.2 1.3
assign (resid 14 and name HB*) (resid 14 and name HG*) 3.0 1.2 1.3
assign (resid 14 and name HB*) (resid 15 and name HA) 4.0 2.2 2.0
assign (resid 14 and name HB*) (resid 15 and name HN) 4.0 2.2 2.0
assign (resid 14 and name HB*) (resid 27 and name HB*) 4.0 2.2 2.0
assign (resid 14 and name HB*) (resid 34 and name HA) 4.0 2.2 2.0
assign (resid 14 and name HB*) (resid 34 and name HB*) 4.0 2.2 2.0
assign (resid 14 and name HB*) (resid 35 and name HA) 4.0 2.2 2.0
assign (resid 14 and name HB*) (resid 35 and name HB*) 4.0 2.2 2.0
assign (resid 14 and name HB*) (resid 35 and name HN) 4.0 2.2 2.0
assign (resid 14 and name HB*) (resid 36 and name HA) 4.0 2.2 2.0
assign (resid 14 and name HB*) (resid 36 and name HB*) 4.0 2.2 2.0
assign (resid 14 and name HB*) (resid 36 and name HN) 4.0 2.2 2.0
assign (resid 14 and name HB*) (resid 38 and name HB*) 4.0 2.2 2.0
assign (resid 14 and name HD*) (resid 34 and name HA) 4.0 2.2 2.0
assign (resid 14 and name HD*) (resid 34 and name HB*) 4.0 2.2 2.0
assign (resid 14 and name HD*) (resid 34 and name HN) 4.0 2.2 2.0
assign (resid 14 and name HD*) (resid 35 and name HA) 4.0 2.2 2.0
assign (resid 14 and name HD*) (resid 35 and name HB*) 4.0 2.2 2.0
assign (resid 14 and name HD*) (resid 35 and name HN) 4.0 2.2 2.0
assign (resid 14 and name HG*) (resid 14 and name HD*) 3.0 1.2 1.3
assign (resid 14 and name HG*) (resid 21 and name HA) 4.0 2.2 2.0
assign (resid 14 and name HG*) (resid 21 and name HB*) 4.0 2.2 2.0
assign (resid 14 and name HG*) (resid 34 and name HA) 4.0 2.2 2.0
assign (resid 14 and name HG*) (resid 34 and name HB*) 4.0 2.2 2.0
assign (resid 14 and name HG*) (resid 35 and name HA) 4.0 2.2 2.0
assign (resid 14 and name HG*) (resid 35 and name HB*) 4.0 2.2 2.0
assign (resid 14 and name HG*) (resid 35 and name HN) 4.0 2.2 2.0 
assign (resid 14 and name HG*) (resid 36 and name HN) 4.0 2.2 2.0
assign (resid 15 and name HA) (resid 15 and name HB*) 4.0 2.2 2.0
assign (resid 15 and name HA) (resid 15 and name HN) 4.0 2.2 1.0
assign (resid 15 and name HA) (resid 16 and name HN) 3.0 1.2 0.3
assign (resid 15 and name HA) (resid 27 and name HB*) 4.0 2.2 2.0
assign (resid 15 and name HA) (resid 30 and name HB*) 4.0 2.2 2.0
assign (resid 15 and name HB*) (resid 15 and name HN) 4.0 2.2 2.0
assign (resid 15 and name HB*) (resid 16 and name HN) 4.0 2.2 2.0
assign (resid 15 and name HB*) (resid 23 and name HD*) 4.0 2.2 2.0
assign (resid 15 and name HB*) (resid 27 and name HA) 4.0 2.2 2.0
assign (resid 15 and name HB*) (resid 27 and name HB*) 4.0 2.2 2.0
assign (resid 15 and name HB*) (resid 27 and name HN) 4.0 2.2 2.0
assign (resid 15 and name HB*) (resid 30 and name HA) 4.0 2.2 2.0
assign (resid 15 and name HB*) (resid 30 and name HB*) 4.0 2.2 2.0
assign (resid 15 and name HB*) (resid 30 and name HN) 4.0 2.2 2.0
assign (resid 15 and name HB*) (resid 31 and name HB*) 4.0 2.2 2.0
assign (resid 15 and name HB*) (resid 31 and name HN) 4.0 2.2 2.0
assign (resid 15 and name HB*) (resid 38 and name HB*) 4.0 2.2 2.0
assign (resid 15 and name HN) (resid 16 and name HN) 4.0 2.2 1.0
assign (resid 15 and name HN) (resid 16 and name HN) 4.0 2.2 1.0
assign (resid 15 and name HN) (resid 27 and name HB*) 4.0 2.2 2.0
assign (resid 15 and name HN) (resid 30 and name HB*) 4.0 2.2 2.0
assign (resid 16 and name HA) (resid 16 and name HB*) 4.0 2.2 2.0
assign (resid 16 and name HA) (resid 16 and name HN) 4.0 2.2 1.0
assign (resid 16 and name HA) (resid 17 and name HN) 3.0 1.2 0.3
assign (resid 16 and name HA) (resid 23 and name HB*) 4.0 2.2 2.0
assign (resid 16 and name HA) (resid 23 and name HD*) 4.0 2.2 2.0
assign (resid 16 and name HA) (resid 27 and name HB*) 4.0 2.2 2.0
assign (resid 16 and name HB*) (resid 16 and name HN) 4.0 2.2 2.0
assign (resid 16 and name HB*) (resid 17 and name HA) 4.0 2.2 2.0
assign (resid 16 and name HB*) (resid 17 and name HN) 4.0 2.2 2.0
assign (resid 16 and name HB*) (resid 23 and name HA) 4.0 2.2 2.0
assign (resid 16 and name HB*) (resid 23 and name HB*) 4.0 2.2 2.0
assign (resid 16 and name HB*) (resid 23 and name HD*) 4.0 2.2 2.0
assign (resid 16 and name HB*) (resid 23 and name HN) 4.0 2.2 2.0
assign (resid 16 and name HB*) (resid 24 and name HN) 4.0 2.2 2.0
assign (resid 16 and name HB*) (resid 27 and name HB*) 4.0 2.2 2.0
assign (resid 16 and name HB*) (resid 27 and name HN) 4.0 2.2 2.0
assign (resid 16 and name HN) (resid 17 and name HB*) 4.0 2.2 2.0
assign (resid 16 and name HN) (resid 17 and name HN) 4.0 2.2 1.0
assign (resid 16 and name HN) (resid 23 and name HB*) 4.0 2.2 2.0
assign (resid 16 and name HN) (resid 23 and name HB*) 4.0 2.2 2.0
assign (resid 16 and name HN) (resid 23 and name HD*) 4.0 2.2 2.0
assign (resid 17 and name HA) (resid 17 and name HN) 4.0 2.2 1.0
assign (resid 17 and name HA) (resid 18 and name HB*) 4.0 2.2 2.0
assign (resid 17 and name HA) (resid 18 and name HN) 4.0 2.2 1.0
assign (resid 17 and name HA) (resid 19 and name HN) 4.0 2.2 1.0
assign (resid 17 and name HA) (resid 20 and name HN) 4.0 2.2 1.0
assign (resid 17 and name HA) (resid 23 and name HB*) 4.0 2.2 2.0
assign (resid 17 and name HA) (resid 23 and name HD*) 4.0 2.2 2.0
assign (resid 17 and name HB*) (resid 17 and name HN) 4.0 2.2 2.0
assign (resid 17 and name HB*) (resid 18 and name HN) 4.0 2.2 2.0
assign (resid 17 and name HB*) (resid 19 and name HA) 4.0 2.2 2.0
assign (resid 17 and name HB*) (resid 19 and name HN) 4.0 2.2 2.0
assign (resid 17 and name HB*) (resid 20 and name HA) 4.0 2.2 2.0
assign (resid 17 and name HB*) (resid 20 and name HB*) 4.0 2.2 2.0
assign (resid 17 and name HB*) (resid 20 and name HG*) 4.0 2.2 2.0
assign (resid 17 and name HB*) (resid 20 and name HN) 4.0 2.2 2.0
assign (resid 17 and name HB*) (resid 21 and name HA) 4.0 2.2 2.0
assign (resid 17 and name HB*) (resid 21 and name HB*) 4.0 2.2 2.0 
assign (resid 17 and name HB*) (resid 21 and name HN) 4.0 2.2 2.0
assign (resid 17 and name HB*) (resid 22 and name HA) 4.0 2.2 2.0
assign (resid 17 and name HB*) (resid 22 and name HB*) 4.0 2.2 2.0
assign (resid 17 and name HB*) (resid 22 and name HN) 4.0 2.2 2.0
assign (resid 17 and name HB*) (resid 23 and name HB*) 4.0 2.2 2.0
assign (resid 17 and name HB*) (resid 23 and name HD*) 4.0 2.2 2.0
assign (resid 17 and name HB*) (resid 23 and name HN) 4.0 2.2 2.0
assign (resid 17 and name HN) (resid 19 and name HN) 4.0 2.2 1.0
assign (resid 17 and name HN) (resid 23 and name HB*) 4.0 2.2 2.0
assign (resid 18 and name HA) (resid 18 and name HB*) 4.0 2.2 2.0
assign (resid 18 and name HA) (resid 18 and name HN) 4.0 2.2 1.0
assign (resid 18 and name HA) (resid 19 and name HB*) 4.0 2.2 2.0
assign (resid 18 and name HA) (resid 19 and name HN) 4.0 2.2 1.0
assign (resid 18 and name HB*) (resid 18 and name HN) 4.0 2.2 2.0
assign (resid 18 and name HB*) (resid 19 and name HA) 4.0 2.2 2.0
assign (resid 18 and name HB*) (resid 19 and name HN) 4.0 2.2 2.0
assign (resid 18 and name HN) (resid 19 and name HB*) 4.0 2.2 2.0
assign (resid 18 and name HN) (resid 19 and name HN) 4.0 2.2 1.0
assign (resid 18 and name HN) (resid 20 and name HN) 4.0 2.2 1.0
assign (resid 18 and name HN) (resid 20 and name HN) 4.0 2.2 1.0
assign (resid 19 and name HA) (resid 19 and name HB*) 4.0 2.2 2.0
assign (resid 19 and name HA) (resid 19 and name HN) 3.0 1.2 1.3
assign (resid 19 and name HA) (resid 20 and name HA) 4.0 2.2 1.0
assign (resid 19 and name HA) (resid 20 and name HN) 4.0 2.2 1.0
assign (resid 19 and name HB*) (resid 19 and name HB*) 4.0 2.2 2.0
assign (resid 19 and name HB*) (resid 19 and name HN) 4.0 2.2 2.0
assign (resid 19 and name HB*) (resid 20 and name HG*) 4.0 2.2 2.0
assign (resid 19 and name HB*) (resid 20 and name HN) 4.0 2.2 2.0
assign (resid 19 and name HN) (resid 20 and name HA) 4.0 2.2 1.0
assign (resid 19 and name HN) (resid 20 and name HG*) 4.0 2.2 2.0
assign (resid 19 and name HN) (resid 20 and name HN) 3.0 1.2 0.3
assign (resid 2 and name HA) (resid 2 and name HB*) 4.0 2.2 2.0
assign (resid 2 and name HA) (resid 2 and name HN) 3.0 1.2 0.3
assign (resid 2 and name HA) (resid 3 and name HA*) 4.0 2.2 2.0
assign (resid 2 and name HA) (resid 3 and name HN) 4.0 2.2 1.0
assign (resid 2 and name HB*) (resid 2 and name HN) 3.0 1.2 1.3
assign (resid 2 and name HB*) (resid 3 and name HN) 4.0 2.2 2.0
assign (resid 2 and name HN) (resid 3 and name HN) 4.0 2.2 1.0
assign (resid 20 and name HA) (resid 20 and name HB) 4.0 2.2 1.0
assign (resid 20 and name HA) (resid 20 and name HG*) 3.0 1.2 1.3
assign (resid 20 and name HA) (resid 20 and name HN) 4.0 2.2 1.0
assign (resid 20 and name HA) (resid 21 and name HA) 4.0 2.2 1.0
assign (resid 20 and name HA) (resid 21 and name HB*) 4.0 2.2 2.0
assign (resid 20 and name HA) (resid 21 and name HN) 3.0 1.2 0.3
assign (resid 20 and name HB) (resid 20 and name HG*) 3.0 1.2 1.3
assign (resid 20 and name HB) (resid 20 and name HN) 4.0 2.2 2.0
assign (resid 20 and name HB) (resid 21 and name HN) 4.0 2.2 1.0
assign (resid 20 and name HG*) (resid 20 and name HN) 4.0 2.2 2.0
assign (resid 20 and name HN) (resid 21 and name HA) 4.0 2.2 1.0
assign (resid 20 and name HN) (resid 21 and name HN) 4.0 2.2 1.0
assign (resid 20 and name HN) (resid 22 and name HN) 4.0 2.2 1.0
assign (resid 20 and name HN) (resid 22 and name HN) 4.0 2.2 1.0
assign (resid 21 and name HA) (resid 21 and name HB*) 4.0 2.2 2.0
assign (resid 21 and name HA) (resid 21 and name HN) 4.0 2.2 1.0
assign (resid 21 and name HA) (resid 22 and name HN) 4.0 2.2 1.0 
assign (resid 21 and name HA) (resid 35 and name HB*) 4.0 2.2 2.0
assign (resid 21 and name HB*) (resid 21 and name HN) 4.0 2.2 2.0
assign (resid 21 and name HB*) (resid 22 and name HA) 4.0 2.2 2.0
assign (resid 21 and name HB*) (resid 22 and name HN) 4.0 2.2 2.0
assign (resid 21 and name HB*) (resid 35 and name HB*) 4.0 2.2 2.0
assign (resid 21 and name HB*) (resid 35 and name HN) 4.0 2.2 2.0
assign (resid 21 and name HB*) (resid 36 and name HA) 4.0 2.2 2.0
assign (resid 21 and name HB*) (resid 36 and name HB*) 4.0 2.2 2.0
assign (resid 21 and name HB*) (resid 36 and name HN) 4.0 2.2 2.0
assign (resid 21 and name HN) (resid 35 and name HB*) 4.0 2.2 2.0
assign (resid 21 and name HN) (resid 35 and name HB*) 4.0 2.2 2.0
assign (resid 22 and name HA) (resid 22 and name HB*) 4.0 2.2 2.0
assign (resid 22 and name HA) (resid 22 and name HD*) 4.0 2.2 2.0
assign (resid 22 and name HA) (resid 22 and name HG*) 4.0 2.2 2.0
assign (resid 22 and name HA) (resid 22 and name HN) 4.0 2.2 1.0
assign (resid 22 and name HA) (resid 23 and name HN) 4.0 2.2 1.0
assign (resid 22 and name HA) (resid 36 and name HB*) 4.0 2.2 2.0
assign (resid 22 and name HB*) (resid 22 and name HG*) 3.0 1.2 1.3
assign (resid 22 and name HB*) (resid 22 and name HN) 4.0 2.2 2.0
assign (resid 22 and name HB*) (resid 23 and name HN) 4.0 2.2 2.0
assign (resid 22 and name HG*) (resid 22 and name HD*) 3.0 1.2 1.3
assign (resid 22 and name HG*) (resid 22 and name HN) 4.0 2.2 2.0
assign (resid 22 and name HG*) (resid 23 and name HN) 4.0 2.2 2.0
assign (resid 22 and name HN) (resid 36 and name HB*) 4.0 2.2 2.0
assign (resid 23 and name HA) (resid 23 and name HB*) 4.0 2.2 2.0
assign (resid 23 and name HA) (resid 23 and name HD*) 4.0 2.2 2.0
assign (resid 23 and name HA) (resid 23 and name HG) 4.0 2.2 1.0
assign (resid 23 and name HA) (resid 24 and name HB*) 4.0 2.2 2.0
assign (resid 23 and name HA) (resid 24 and name HN) 4.0 2.2 1.0
assign (resid 23 and name HB*) (resid 23 and name HD*) 3.0 1.2 1.3
assign (resid 23 and name HB*) (resid 23 and name HG) 3.0 1.2 1.3
assign (resid 23 and name HB*) (resid 24 and name HN) 4.0 2.2 2.0
assign (resid 23 and name HB*) (resid 25 and name HN) 4.0 2.2 2.0
assign (resid 23 and name HB*) (resid 26 and name HA*) 4.0 2.2 2.0
assign (resid 23 and name HB*) (resid 26 and name HN) 4.0 2.2 2.0
assign (resid 23 and name HB*) (resid 27 and name HB*) 4.0 2.2 2.0
assign (resid 23 and name HB*) (resid 27 and name HN) 4.0 2.2 2.0
assign (resid 23 and name HD*) (resid 26 and name HA*) 4.0 2.2 2.0
assign (resid 23 and name HD*) (resid 26 and name HN) 4.0 2.2 2.0
assign (resid 23 and name HD*) (resid 27 and name HA) 4.0 2.2 2.0
assign (resid 23 and name HD*) (resid 27 and name HB*) 4.0 2.2 2.0
assign (resid 23 and name HD*) (resid 27 and name HN) 4.0 2.2 2.0
assign (resid 23 and name HD*) (resid 28 and name HN) 4.0 2.2 2.0
assign (resid 23 and name HG) (resid 23 and name HD*) 2.5 0.7 1.2
assign (resid 23 and name HG) (resid 26 and name HN) 4.0 2.2 1.0
assign (resid 23 and name HG) (resid 27 and name HA) 4.0 2.2 1.0
assign (resid 23 and name HG) (resid 27 and name HB*) 4.0 2.2 2.0
assign (resid 23 and name HG) (resid 27 and name HN) 4.0 2.2 1.0
assign (resid 23 and name HN) (resid 24 and name HN) 4.0 2.2 1.0
assign (resid 23 and name HN) (resid 25 and name HN) 4.0 2.2 1.0
assign (resid 24 and name HA) (resid 24 and name HN) 3.0 1.2 0.3
assign (resid 24 and name HA) (resid 25 and name HN) 3.0 1.2 0.3
assign (resid 24 and name HB*) (resid 24 and name HN) 4.0 2.2 2.0
assign (resid 24 and name HB*) (resid 25 and name HN) 4.0 2.2 1.0
assign (resid 24 and name HG*) (resid 24 and name HN) 4.0 2.2 2.0
assign (resid 24 and name HN) (resid 25 and name HN) 4.0 2.2 1.0
assign (resid 25 and name HA) (resid 25 and name HN) 3.0 1.2 0.3
assign (resid 25 and name HA) (resid 26 and name HN) 3.0 1.2 0.3
assign (resid 25 and name HB*) (resid 25 and name HN) 4.0 2.2 2.0
assign (resid 25 and name HB*) (resid 26 and name HN) 4.0 2.2 2.0
assign (resid 25 and name HG*) (resid 25 and name HN) 4.0 2.2 2.0
assign (resid 25 and name HN) (resid 26 and name HN) 4.0 2.2 1.0
assign (resid 26 and name HA*) (resid 26 and name HN) 4.0 2.2 2.0
assign (resid 26 and name HA*) (resid 27 and name HN) 4.0 2.2 2.0
assign (resid 26 and name HA*) (resid 28 and name HG*) 4.0 2.2 2.0
assign (resid 26 and name HN) (resid 27 and name HN) 4.0 2.2 1.0
assign (resid 26 and name HN) (resid 27 and name HN) 4.0 2.2 1.0
assign (resid 27 and name HA) (resid 27 and name HB*) 4.0 2.2 2.0
assign (resid 27 and name HA) (resid 27 and name HN) 3.0 1.2 0.3
assign (resid 27 and name HA) (resid 28 and name HN) 3.0 1.2 0.3
assign (resid 27 and name HA) (resid 28 and name HN) 3.0 1.2 0.3
assign (resid 27 and name HA) (resid 29 and name HN) 5.0 3.2 1.0
assign (resid 27 and name HA) (resid 30 and name HB*) 4.0 2.2 2.0
assign (resid 27 and name HA) (resid 30 and name HN) 4.0 2.2 1.0
assign (resid 27 and name HA) (resid 38 and name HB*) 4.0 2.2 2.0
assign (resid 27 and name HB*) (resid 27 and name HN) 4.0 2.2 2.0
assign (resid 27 and name HB*) (resid 28 and name HN) 4.0 2.2 2.0
assign (resid 27 and name HB*) (resid 29 and name HN) 4.0 2.2 2.0
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assign (resid 68 and name HB*) (resid 68 and name HN) 4.0 2.2 2.0
assign (resid 68 and name HB*) (resid 69 and name HN) 4.0 2.2 2.0
assign (resid 68 and name HG*) (resid 69 and name HN) 4.0 2.2 2.0
assign (resid 68 and name HN) (resid 69 and name HA) 4.0 2.2 1.0
assign (resid 68 and name HN) (resid 69 and name HN) 4.0 2.2 1.0
assign (resid 68 and name HN) (resid 71 and name HE*) 4.0 2.2 2.0
assign (resid 69 and name HA) (resid 69 and name HN) 4.0 2.2 1.0
assign (resid 69 and name HA) (resid 70 and name HA) 4.0 2.2 1.0
assign (resid 69 and name HA) (resid 70 and name HB*) 4.0 2.2 2.0
assign (resid 69 and name HA) (resid 70 and name HD*) 4.0 2.2 1.0
assign (resid 69 and name HA) (resid 70 and name HG*) 4.0 2.2 2.0
assign (resid 69 and name HB*) (resid 69 and name HN) 4.0 2.2 2.0
assign (resid 69 and name HB*) (resid 69 and name HN) 4.0 2.2 2.0
assign (resid 69 and name HB*) (resid 70 and name HD*) 4.0 2.2 2.0
assign (resid 69 and name HN) (resid 70 and name HD*) 4.0 2.2 2.0
assign (resid 7 and name HA) (resid 7 and name HB*) 4.0 2.2 2.0
assign (resid 7 and name HA) (resid 7 and name HN) 4.0 2.2 1.0
assign (resid 7 and name HA) (resid 8 and name HN) 4.0 2.2 1.0
assign (resid 7 and name HB*) (resid 7 and name HN) 4.0 2.2 2.0
assign (resid 7 and name HB*) (resid 8 and name HN) 3.0 1.2 1.3
assign (resid 7 and name HN) (resid 8 and name HB*) 4.0 2.2 2.0
assign (resid 7 and name HN) (resid 8 and name HN) 3.0 1.2 0.3
assign (resid 70 and name HA) (resid 70 and name HB*) 4.0 2.2 2.0
assign (resid 70 and name HA) (resid 70 and name HD*) 4.0 2.2 2.0
assign (resid 70 and name HA) (resid 70 and name HG*) 4.0 2.2 2.0
assign (resid 70 and name HA) (resid 71 and name HB*) 4.0 2.2 2.0
assign (resid 70 and name HA) (resid 71 and name HN) 4.0 2.2 1.0
assign (resid 70 and name HB*) (resid 70 and name HD*) 4.0 2.2 2.0
assign (resid 70 and name HB*) (resid 70 and name HG*) 4.0 2.2 2.0
assign (resid 70 and name HB*) (resid 71 and name HA) 4.0 2.2 2.0
assign (resid 70 and name HB*) (resid 71 and name HN) 4.0 2.2 2.0
assign (resid 70 and name HG*) (resid 70 and name HD*) 3.0 1.2 1.3
assign (resid 71 and name HA) (resid 71 and name HB*) 3.0 1.2 1.3
assign (resid 71 and name HA) (resid 71 and name HN) 4.0 2.2 1.0
assign (resid 71 and name HA) (resid 72 and name HN) 4.0 2.2 1.0
assign (resid 71 and name HB*) (resid 71 and name HD*) 2.5 0.7 1.2
assign (resid 71 and name HB*) (resid 71 and name HE*) 4.0 2.2 2.0
assign (resid 71 and name HB*) (resid 71 and name HN) 4.0 2.2 2.0
assign (resid 71 and name HB*) (resid 72 and name HN) 4.0 2.2 2.0
assign (resid 71 and name HN) (resid 72 and name HN) 4.0 2.2 1.0
assign (resid 72 and name HA) (resid 72 and name HB*) 3.0 1.2 1.3
assign (resid 72 and name HA) (resid 72 and name HB*) 4.0 2.2 2.0
assign (resid 72 and name HA) (resid 72 and name HN) 4.0 2.2 1.0
assign (resid 72 and name HA) (resid 73 and name HN) 4.0 2.2 1.0
assign (resid 72 and name HB*) (resid 72 and name HN) 4.0 2.2 2.0
assign (resid 72 and name HB*) (resid 73 and name HN) 4.0 2.2 2.0
assign (resid 8 and name HA) (resid 16 and name HN) 5.0 3.2 1.0
assign (resid 8 and name HA) (resid 8 and name HB*) 4.0 2.2 2.0
assign (resid 8 and name HA) (resid 8 and name HN) 4.0 2.2 1.0
assign (resid 8 and name HA) (resid 9 and name HN) 4.0 2.2 1.0
assign (resid 8 and name HB*) (resid 15 and name HA) 4.0 2.2 2.0
assign (resid 8 and name HB*) (resid 15 and name HB*) 4.0 2.2 2.0
assign (resid 8 and name HB*) (resid 15 and name HN) 5.0 3.2 1.0
assign (resid 8 and name HB*) (resid 16 and name HA) 4.0 2.2 2.0
assign (resid 8 and name HB*) (resid 16 and name HB*) 4.0 2.2 2.0
assign (resid 8 and name HB*) (resid 16 and name HN) 4.0 2.2 2.0
assign (resid 8 and name HB*) (resid 8 and name HN) 4.0 2.2 2.0
assign (resid 8 and name HB*) (resid 9 and name HN) 4.0 2.2 2.0!?
assign (resid 8 and name HN) (resid 15 and name HA) 5.0 3.2 1.0
assign (resid 8 and name HN) (resid 15 and name HB*) 4.0 2.2 2.0
assign (resid 8 and name HN) (resid 16 and name HA) 5.0 3.2 1.0
assign (resid 8 and name HN) (resid 16 and name HB*) 4.0 2.2 2.0
assign (resid 8 and name HN) (resid 9 and name HA*) 4.0 2.2 2.0
assign (resid 8 and name HN) (resid 9 and name HN) 4.0 2.2 1.0
assign (resid 9 and name HA*) (resid 10 and name HN) 4.0 2.2 2.0
assign (resid 9 and name HA*) (resid 15 and name HA) 4.0 2.2 2.0
assign (resid 9 and name HA*) (resid 31 and name HB*) 4.0 2.2 2.0
assign (resid 9 and name HA*) (resid 9 and name HN) 4.0 2.2 2.0
assign (resid 9 and name HN) (resid 10 and name HA) 4.0 2.2 1.0
assign (resid 9 and name HN) (resid 10 and name HN) 4.0 2.2 1.0
assign (resid 9 and name HN) (resid 15 and name HA) 4.0 2.2 1.0
assign (resid 9 and name HN) (resid 15 and name HB*) 4.0 2.2 2.0
assign (resid 9 and name HN) (resid 15 and name HN) 4.0 2.2 1.0
assign (resid 9 and name HN) (resid 31 and name HB*) 4.0 2.2 2.0


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    GLU   1           HT1      GLU   1  -1.549  12.750  -1.477
    2   2H    GLU   1           HT2      GLU   1  -0.544  11.362  -1.570
    3   3H    GLU   1           HT3      GLU   1  -0.009  12.757  -0.726
    4    HA   GLU   1           HA       GLU   1  -0.805  10.869   0.647
    5   1HB   GLU   1          HB2       GLU   1  -0.945  13.630   0.906
    6   2HB   GLU   1          HB1       GLU   1  -2.545  13.088   1.396
    7   1HG   GLU   1          HG2       GLU   1  -1.657  11.735   3.122
    8   2HG   GLU   1          HG1       GLU   1  -0.012  11.931   2.520
    9    H    ALA   2           HN       ALA   2  -2.269   9.304   0.712
   10    HA   ALA   2           HA       ALA   2  -4.956   9.837  -0.375
   11   1HB   ALA   2          HB1       ALA   2  -3.307   8.084  -1.437
   12   2HB   ALA   2          HB2       ALA   2  -5.034   7.747  -1.308
   13   3HB   ALA   2          HB3       ALA   2  -3.910   7.061  -0.135
   14    H    GLY   3           HN       GLY   3  -3.593   7.279   1.693
   15   1HA   GLY   3          HA2       GLY   3  -5.812   7.778   3.576
   16   2HA   GLY   3          HA1       GLY   3  -5.050   6.214   3.327
   17    H    GLU   4           HN       GLU   4  -2.479   6.506   3.612
   18    HA   GLU   4           HA       GLU   4  -2.164   7.697   6.286
   19   1HB   GLU   4          HB2       GLU   4  -0.928   5.300   4.970
   20   2HB   GLU   4          HB1       GLU   4  -0.113   6.095   6.311
   21   1HG   GLU   4          HG2       GLU   4  -2.577   5.824   7.354
   22   2HG   GLU   4          HG1       GLU   4  -2.532   4.423   6.284
   23    H    GLU   5           HN       GLU   5   0.164   8.335   6.778
   24    HA   GLU   5           HA       GLU   5   0.950  10.341   4.923
   25   1HB   GLU   5          HB2       GLU   5   2.689   9.359   7.169
   26   2HB   GLU   5          HB1       GLU   5   2.549  10.986   6.517
   27   1HG   GLU   5          HG2       GLU   5   0.175  10.980   7.409
   28   2HG   GLU   5          HG1       GLU   5   0.625   9.523   8.293
   29    H    CYS   6           HN       CYS   6   2.045  10.006   3.106
   30    HA   CYS   6           HA       CYS   6   4.533   9.040   2.771
   31   1HB   CYS   6          HB2       CYS   6   4.145   6.898   3.613
   32   2HB   CYS   6          HB1       CYS   6   2.560   6.787   2.865
   33    H    ASP   7           HN       ASP   7   4.907  10.074   0.930
   34    HA   ASP   7           HA       ASP   7   2.912  10.497  -1.056
   35   1HB   ASP   7          HB2       ASP   7   5.860  10.889  -1.511
   36   2HB   ASP   7          HB1       ASP   7   4.512  11.800  -2.186
   37    H    CYS   8           HN       CYS   8   5.578   8.244  -0.688
   38    HA   CYS   8           HA       CYS   8   5.363   7.214  -3.378
   39   1HB   CYS   8          HB2       CYS   8   6.683   5.835  -1.092
   40   2HB   CYS   8          HB1       CYS   8   7.069   5.693  -2.792
   41    H    GLY   9           HN       GLY   9   3.135   6.968  -1.110
   42   1HA   GLY   9          HA2       GLY   9   2.866   4.130  -0.842
   43   2HA   GLY   9          HA1       GLY   9   1.732   5.346  -0.275
   44    H    SER  10           HN       SER  10   2.766   3.444  -3.028
   45    HA   SER  10           HA       SER  10   0.088   3.791  -4.091
   46   1HB   SER  10          HB2       SER  10   2.650   4.315  -5.546
   47   2HB   SER  10          HB1       SER  10   1.235   3.757  -6.438
   48    HG   SER  10           HG       SER  10   0.831   5.837  -6.458
   49    HA   PRO  11           HA       PRO  11   0.105  -0.624  -4.313
   50   1HB   PRO  11          HB2       PRO  11  -1.591  -0.858  -6.507
   51   2HB   PRO  11          HB1       PRO  11  -2.115  -0.709  -4.827
   52   1HG   PRO  11          HG2       PRO  11  -1.923   1.382  -6.947
   53   2HG   PRO  11          HG1       PRO  11  -3.142   1.177  -5.677
   54   1HD   PRO  11          HD2       PRO  11  -1.218   3.037  -5.488
   55   2HD   PRO  11          HD1       PRO  11  -1.801   2.159  -4.058
   56    H    GLY  12           HN       GLY  12   2.292  -0.775  -4.965
   57   1HA   GLY  12          HA2       GLY  12   3.327  -2.172  -6.791
   58   2HA   GLY  12          HA1       GLY  12   2.696  -0.951  -7.891
   59    H    ASN  13           HN       ASN  13   3.311   0.963  -5.537
   60    HA   ASN  13           HA       ASN  13   6.182   1.288  -6.097
   61   1HB   ASN  13          HB2       ASN  13   4.357   3.583  -5.415
   62   2HB   ASN  13          HB1       ASN  13   5.936   3.627  -6.193
   63   1HD2  ASN  13          HD21      ASN  13   4.490   5.066  -7.577
   64   2HD2  ASN  13          HD22      ASN  13   3.741   4.302  -8.934
   65    HA   PRO  14           HA       PRO  14   5.210  -0.070  -1.619
   66   1HB   PRO  14          HB2       PRO  14   8.118  -0.360  -1.877
   67   2HB   PRO  14          HB1       PRO  14   6.909  -1.569  -1.457
   68   1HG   PRO  14          HG2       PRO  14   8.093  -0.973  -4.061
   69   2HG   PRO  14          HG1       PRO  14   7.157  -2.390  -3.567
   70   1HD   PRO  14          HD2       PRO  14   6.183  -0.587  -5.301
   71   2HD   PRO  14          HD1       PRO  14   5.129  -1.387  -4.111
   72    H    CYS  15           HN       CYS  15   4.716   2.100  -0.951
   73    HA   CYS  15           HA       CYS  15   5.374   4.359  -0.533
   74   1HB   CYS  15          HB2       CYS  15   4.697   3.037   1.505
   75   2HB   CYS  15          HB1       CYS  15   6.409   2.830   1.845
   76    H    CYS  16           HN       CYS  16   7.157   3.876  -2.274
   77    HA   CYS  16           HA       CYS  16   8.981   5.244  -2.743
   78   1HB   CYS  16          HB2       CYS  16   9.979   4.447  -0.024
   79   2HB   CYS  16          HB1       CYS  16  10.927   5.352  -1.188
   80    H    ASP  17           HN       ASP  17  10.691   4.679  -3.953
   81    HA   ASP  17           HA       ASP  17  12.137   2.259  -3.705
   82   1HB   ASP  17          HB2       ASP  17  11.228   1.333  -5.959
   83   2HB   ASP  17          HB1       ASP  17  10.321   1.021  -4.482
   84    H    ALA  18           HN       ALA  18  11.047   4.928  -5.694
   85    HA   ALA  18           HA       ALA  18  11.992   6.057  -7.449
   86   1HB   ALA  18          HB1       ALA  18  14.657   6.171  -6.409
   87   2HB   ALA  18          HB2       ALA  18  13.490   6.285  -5.091
   88   3HB   ALA  18          HB3       ALA  18  13.412   7.420  -6.439
   89    H    ALA  19           HN       ALA  19  12.285   3.048  -7.604
   90    HA   ALA  19           HA       ALA  19  13.811   2.966  -9.969
   91   1HB   ALA  19          HB1       ALA  19  15.200   1.162  -8.147
   92   2HB   ALA  19          HB2       ALA  19  15.426   2.865  -7.746
   93   3HB   ALA  19          HB3       ALA  19  15.848   2.273  -9.353
   94    H    THR  20           HN       THR  20  13.071   0.883  -7.196
   95    HA   THR  20           HA       THR  20  11.040  -0.564  -8.542
   96    HB   THR  20           HB       THR  20  12.741  -2.724  -8.147
   97    HG1  THR  20           HG1      THR  20  14.406  -0.945  -8.177
   98   1HG2  THR  20          HG21      THR  20  11.165  -2.519  -9.992
   99   2HG2  THR  20          HG22      THR  20  12.777  -2.956 -10.561
  100   3HG2  THR  20          HG23      THR  20  12.197  -1.300 -10.740
  101    H    CYS  21           HN       CYS  21   9.998  -2.078  -7.167
  102    HA   CYS  21           HA       CYS  21   9.798  -1.493  -4.526
  103   1HB   CYS  21          HB2       CYS  21   9.516  -4.262  -5.718
  104   2HB   CYS  21          HB1       CYS  21   8.814  -3.720  -4.199
  105    H    LYS  22           HN       LYS  22  11.789  -1.068  -3.558
  106    HA   LYS  22           HA       LYS  22  13.042  -3.269  -2.269
  107   1HB   LYS  22          HB2       LYS  22  15.161  -3.307  -3.287
  108   2HB   LYS  22          HB1       LYS  22  14.019  -3.317  -4.624
  109   1HG   LYS  22          HG2       LYS  22  14.865  -1.445  -5.455
  110   2HG   LYS  22          HG1       LYS  22  14.726  -0.619  -3.902
  111   1HD   LYS  22          HD2       LYS  22  16.897  -0.928  -3.414
  112   2HD   LYS  22          HD1       LYS  22  16.892  -2.586  -4.018
  113   1HE   LYS  22          HE2       LYS  22  18.002  -1.890  -5.810
  114   2HE   LYS  22          HE1       LYS  22  16.597  -0.928  -6.266
  115   1HZ   LYS  22          HZ1       LYS  22  19.093   0.007  -5.574
  116   2HZ   LYS  22          HZ2       LYS  22  18.108   0.379  -4.250
  117   3HZ   LYS  22          HZ3       LYS  22  17.689   0.927  -5.794
  118    H    LEU  23           HN       LEU  23  11.832  -0.824  -1.460
  119    HA   LEU  23           HA       LEU  23  13.797   1.127  -0.833
  120   1HB   LEU  23          HB2       LEU  23  12.143   2.211   0.482
  121   2HB   LEU  23          HB1       LEU  23  11.365   1.590  -0.954
  122    HG   LEU  23           HG       LEU  23  11.082   0.648   1.882
  123   1HD1  LEU  23          HD11      LEU  23   9.597   2.296   0.179
  124   2HD1  LEU  23          HD12      LEU  23   9.117   1.661   1.752
  125   3HD1  LEU  23          HD13      LEU  23   8.708   0.777   0.282
  126   1HD2  LEU  23          HD21      LEU  23   9.935  -1.313   1.169
  127   2HD2  LEU  23          HD22      LEU  23  11.509  -1.314   0.374
  128   3HD2  LEU  23          HD23      LEU  23  10.067  -0.847  -0.526
  129    H    ARG  24           HN       ARG  24  15.115   1.369   0.852
  130    HA   ARG  24           HA       ARG  24  15.732  -0.846   2.485
  131   1HB   ARG  24          HB2       ARG  24  16.544   2.052   2.759
  132   2HB   ARG  24          HB1       ARG  24  17.259   0.722   3.660
  133   1HG   ARG  24          HG2       ARG  24  17.434  -0.050   0.992
  134   2HG   ARG  24          HG1       ARG  24  17.841   1.667   1.003
  135   1HD   ARG  24          HD2       ARG  24  19.787   0.123   1.317
  136   2HD   ARG  24          HD1       ARG  24  19.582   1.325   2.589
  137    HE   ARG  24           HE       ARG  24  19.203  -0.369   4.079
  138   1HH1  ARG  24          HH11      ARG  24  18.883  -1.608   0.841
  139   2HH1  ARG  24          HH12      ARG  24  18.757  -3.260   1.346
  140   1HH2  ARG  24          HH21      ARG  24  19.038  -2.541   4.756
  141   2HH2  ARG  24          HH22      ARG  24  18.845  -3.791   3.572
  142    H    GLN  25           HN       GLN  25  13.319   1.471   2.737
  143    HA   GLN  25           HA       GLN  25  13.147   1.498   5.615
  144   1HB   GLN  25          HB2       GLN  25  11.736   2.800   3.374
  145   2HB   GLN  25          HB1       GLN  25  10.766   2.493   4.808
  146   1HG   GLN  25          HG2       GLN  25  13.409   3.726   5.251
  147   2HG   GLN  25          HG1       GLN  25  12.198   4.719   4.442
  148   1HE2  GLN  25          HE21      GLN  25  12.297   2.417   7.148
  149   2HE2  GLN  25          HE22      GLN  25  11.409   3.411   8.248
  150    H    GLY  26           HN       GLY  26  10.381   0.964   3.591
  151   1HA   GLY  26          HA2       GLY  26   9.768  -1.578   3.483
  152   2HA   GLY  26          HA1       GLY  26   9.680  -1.362   5.225
  153    H    ALA  27           HN       ALA  27   8.341  -0.270   2.151
  154    HA   ALA  27           HA       ALA  27   6.228   1.259   3.191
  155   1HB   ALA  27          HB1       ALA  27   7.095   1.433   0.913
  156   2HB   ALA  27          HB2       ALA  27   5.348   1.194   0.945
  157   3HB   ALA  27          HB3       ALA  27   6.414  -0.150   0.542
  158    H    GLN  28           HN       GLN  28   6.156  -1.329   4.586
  159    HA   GLN  28           HA       GLN  28   4.235  -3.048   3.547
  160   1HB   GLN  28          HB2       GLN  28   4.352  -2.673   6.485
  161   2HB   GLN  28          HB1       GLN  28   4.280  -4.155   5.542
  162   1HG   GLN  28          HG2       GLN  28   6.412  -4.320   6.186
  163   2HG   GLN  28          HG1       GLN  28   6.679  -3.285   4.783
  164   1HE2  GLN  28          HE21      GLN  28   8.551  -3.314   6.713
  165   2HE2  GLN  28          HE22      GLN  28   8.529  -1.839   7.612
  166    H    CYS  29           HN       CYS  29   2.530  -1.862   2.679
  167    HA   CYS  29           HA       CYS  29   0.445  -0.968   2.646
  168   1HB   CYS  29          HB2       CYS  29   0.534  -2.057   5.447
  169   2HB   CYS  29          HB1       CYS  29  -0.865  -1.161   4.868
  170    H    ALA  30           HN       ALA  30   2.153   0.933   2.594
  171    HA   ALA  30           HA       ALA  30   1.832   2.741   4.834
  172   1HB   ALA  30          HB1       ALA  30   3.065   3.672   2.302
  173   2HB   ALA  30          HB2       ALA  30   3.902   2.408   3.202
  174   3HB   ALA  30          HB3       ALA  30   3.556   3.957   3.972
  175    H    GLU  31           HN       GLU  31   1.843   5.132   3.062
  176    HA   GLU  31           HA       GLU  31  -0.771   5.892   3.102
  177   1HB   GLU  31          HB2       GLU  31   0.899   7.503   2.498
  178   2HB   GLU  31          HB1       GLU  31   1.356   6.587   1.068
  179   1HG   GLU  31          HG2       GLU  31  -1.408   7.181   0.875
  180   2HG   GLU  31          HG1       GLU  31  -0.561   8.662   1.319
  181    H    GLY  32           HN       GLY  32   0.839   3.798   0.876
  182   1HA   GLY  32          HA2       GLY  32  -1.722   2.912  -0.189
  183   2HA   GLY  32          HA1       GLY  32  -0.543   3.509  -1.354
  184    H    LEU  33           HN       LEU  33  -1.639   0.807  -1.084
  185    HA   LEU  33           HA       LEU  33  -0.229  -1.084   0.170
  186   1HB   LEU  33          HB2       LEU  33  -1.903  -1.069  -1.998
  187   2HB   LEU  33          HB1       LEU  33  -0.422  -1.711  -2.683
  188    HG   LEU  33           HG       LEU  33  -2.144  -3.371  -1.760
  189   1HD1  LEU  33          HD11      LEU  33   0.342  -4.045  -0.401
  190   2HD1  LEU  33          HD12      LEU  33   0.585  -3.464  -2.049
  191   3HD1  LEU  33          HD13      LEU  33  -0.468  -4.846  -1.747
  192   1HD2  LEU  33          HD21      LEU  33  -2.615  -3.440   0.423
  193   2HD2  LEU  33          HD22      LEU  33  -1.918  -1.822   0.503
  194   3HD2  LEU  33          HD23      LEU  33  -0.924  -3.229   0.880
  195    H    CYS  34           HN       CYS  34   1.548  -2.520  -0.502
  196    HA   CYS  34           HA       CYS  34   3.694  -1.086  -1.905
  197   1HB   CYS  34          HB2       CYS  34   4.697  -0.987   0.117
  198   2HB   CYS  34          HB1       CYS  34   3.639  -2.201   0.810
  199    H    CYS  35           HN       CYS  35   5.439  -2.562  -2.692
  200    HA   CYS  35           HA       CYS  35   4.370  -5.195  -3.376
  201   1HB   CYS  35          HB2       CYS  35   4.136  -4.556  -5.511
  202   2HB   CYS  35          HB1       CYS  35   4.869  -2.998  -5.167
  203    H    ASP  36           HN       ASP  36   6.914  -3.449  -2.123
  204    HA   ASP  36           HA       ASP  36   9.013  -5.274  -2.930
  205   1HB   ASP  36          HB2       ASP  36   9.459  -2.847  -2.700
  206   2HB   ASP  36          HB1       ASP  36   9.085  -2.958  -0.983
  207    H    GLN  37           HN       GLN  37  10.494  -6.106  -1.151
  208    HA   GLN  37           HA       GLN  37   9.298  -8.019   0.373
  209   1HB   GLN  37          HB2       GLN  37  11.752  -6.571   1.349
  210   2HB   GLN  37          HB1       GLN  37  11.343  -8.270   1.541
  211   1HG   GLN  37          HG2       GLN  37  12.251  -6.853  -0.943
  212   2HG   GLN  37          HG1       GLN  37  13.052  -8.163  -0.077
  213   1HE2  GLN  37          HE21      GLN  37  13.037  -9.895  -1.312
  214   2HE2  GLN  37          HE22      GLN  37  11.687 -10.498  -2.204
  215    H    CYS  38           HN       CYS  38   9.472  -4.638   0.972
  216    HA   CYS  38           HA       CYS  38   9.347  -3.852   3.383
  217   1HB   CYS  38          HB2       CYS  38   7.706  -2.320   2.910
  218   2HB   CYS  38          HB1       CYS  38   8.127  -2.856   1.291
  219    H    ARG  39           HN       ARG  39   6.659  -5.895   2.278
  220    HA   ARG  39           HA       ARG  39   5.791  -7.707   3.539
  221   1HB   ARG  39          HB2       ARG  39   7.522  -7.089   5.397
  222   2HB   ARG  39          HB1       ARG  39   6.189  -6.178   6.093
  223   1HG   ARG  39          HG2       ARG  39   5.198  -8.017   6.865
  224   2HG   ARG  39          HG1       ARG  39   5.441  -8.889   5.350
  225   1HD   ARG  39          HD2       ARG  39   7.641  -9.528   5.971
  226   2HD   ARG  39          HD1       ARG  39   7.645  -8.421   7.344
  227    HE   ARG  39           HE       ARG  39   6.624 -11.075   7.297
  228   1HH1  ARG  39          HH11      ARG  39   6.109  -7.920   8.676
  229   2HH1  ARG  39          HH12      ARG  39   5.328  -8.526  10.099
  230   1HH2  ARG  39          HH21      ARG  39   5.596 -11.885   9.165
  231   2HH2  ARG  39          HH22      ARG  39   5.037 -10.781  10.377
  232    H    PHE  40           HN       PHE  40   3.793  -7.583   5.309
  233    HA   PHE  40           HA       PHE  40   2.343  -5.104   5.014
  234   1HB   PHE  40          HB2       PHE  40   1.234  -7.568   3.661
  235   2HB   PHE  40          HB1       PHE  40   0.550  -5.941   3.653
  236    HD1  PHE  40           HD1      PHE  40   3.296  -8.044   2.403
  237    HD2  PHE  40           HD2      PHE  40   1.398  -4.240   2.221
  238    HE1  PHE  40           HE1      PHE  40   4.672  -7.457   0.461
  239    HE2  PHE  40           HE2      PHE  40   2.755  -3.664   0.273
  240    HZ   PHE  40           HZ       PHE  40   4.405  -5.254  -0.609
  241    H    MET  41           HN       MET  41   0.695  -4.843   6.399
  242    HA   MET  41           HA       MET  41   0.664  -6.097   8.810
  243   1HB   MET  41          HB2       MET  41  -1.117  -4.281   7.371
  244   2HB   MET  41          HB1       MET  41  -1.954  -5.266   8.563
  245   1HG   MET  41          HG2       MET  41  -1.369  -3.415   9.790
  246   2HG   MET  41          HG1       MET  41  -0.052  -4.528  10.153
  247   1HE   MET  41          HE1       MET  41   0.625  -2.389  11.152
  248   2HE   MET  41          HE2       MET  41   0.624  -0.855  10.281
  249   3HE   MET  41          HE3       MET  41   2.119  -1.779  10.440
  250    H    LYS  42           HN       LYS  42  -2.371  -6.341   7.117
  251    HA   LYS  42           HA       LYS  42  -3.019  -8.597   6.182
  252   1HB   LYS  42          HB2       LYS  42  -2.017  -9.289   8.918
  253   2HB   LYS  42          HB1       LYS  42  -3.358 -10.202   8.249
  254   1HG   LYS  42          HG2       LYS  42  -0.675  -9.879   6.920
  255   2HG   LYS  42          HG1       LYS  42  -1.189 -11.282   7.857
  256   1HD   LYS  42          HD2       LYS  42  -2.967 -11.726   6.280
  257   2HD   LYS  42          HD1       LYS  42  -2.581 -10.253   5.387
  258   1HE   LYS  42          HE2       LYS  42  -1.552 -11.927   4.137
  259   2HE   LYS  42          HE1       LYS  42  -0.239 -11.280   5.118
  260   1HZ   LYS  42          HZ1       LYS  42  -1.797 -13.733   5.732
  261   2HZ   LYS  42          HZ2       LYS  42  -0.516 -13.120   6.651
  262   3HZ   LYS  42          HZ3       LYS  42  -0.233 -13.699   5.087
  263    H    GLU  43           HN       GLU  43  -3.571  -6.421   8.700
  264    HA   GLU  43           HA       GLU  43  -6.448  -7.039   8.703
  265   1HB   GLU  43          HB2       GLU  43  -5.803  -7.285  10.929
  266   2HB   GLU  43          HB1       GLU  43  -4.643  -5.968  10.840
  267   1HG   GLU  43          HG2       GLU  43  -6.561  -4.391  10.635
  268   2HG   GLU  43          HG1       GLU  43  -7.639  -5.753  10.937
  269    H    GLY  44           HN       GLY  44  -7.830  -5.489   8.127
  270   1HA   GLY  44          HA2       GLY  44  -7.636  -3.658   6.363
  271   2HA   GLY  44          HA1       GLY  44  -8.565  -3.265   7.793
  272    H    THR  45           HN       THR  45  -5.357  -2.997   6.295
  273    HA   THR  45           HA       THR  45  -4.833  -0.728   8.082
  274    HB   THR  45           HB       THR  45  -2.876  -1.866   6.129
  275    HG1  THR  45           HG1      THR  45  -3.815  -3.488   7.599
  276   1HG2  THR  45          HG21      THR  45  -2.476   0.289   7.460
  277   2HG2  THR  45          HG22      THR  45  -1.217  -0.946   7.445
  278   3HG2  THR  45          HG23      THR  45  -2.281  -0.788   8.842
  279    H    ILE  46           HN       ILE  46  -3.908  -1.287   4.738
  280    HA   ILE  46           HA       ILE  46  -5.559   0.691   3.630
  281    HB   ILE  46           HB       ILE  46  -3.074   1.666   4.757
  282   1HG1  ILE  46          HG12      ILE  46  -4.409   3.803   3.664
  283   2HG1  ILE  46          HG11      ILE  46  -5.700   2.628   3.883
  284   1HG2  ILE  46          HG21      ILE  46  -3.407   1.913   1.796
  285   2HG2  ILE  46          HG22      ILE  46  -1.951   1.580   2.734
  286   3HG2  ILE  46          HG23      ILE  46  -2.643   3.203   2.725
  287   1HD1  ILE  46          HD11      ILE  46  -5.811   3.159   6.020
  288   2HD1  ILE  46          HD12      ILE  46  -4.502   4.321   5.803
  289   3HD1  ILE  46          HD13      ILE  46  -4.136   2.652   6.242
  290    H    CYS  47           HN       CYS  47  -5.992  -0.616   1.942
  291    HA   CYS  47           HA       CYS  47  -3.786  -1.769   0.410
  292   1HB   CYS  47          HB2       CYS  47  -5.280  -3.469   0.451
  293   2HB   CYS  47          HB1       CYS  47  -6.626  -2.400   0.811
  294    H    ARG  48           HN       ARG  48  -5.271   1.090   0.541
  295    HA   ARG  48           HA       ARG  48  -6.308   2.328  -1.360
  296   1HB   ARG  48          HB2       ARG  48  -3.351   2.863  -1.106
  297   2HB   ARG  48          HB1       ARG  48  -4.598   4.007  -1.579
  298   1HG   ARG  48          HG2       ARG  48  -5.189   2.866   0.997
  299   2HG   ARG  48          HG1       ARG  48  -3.574   3.574   0.973
  300   1HD   ARG  48          HD2       ARG  48  -4.394   5.643   0.967
  301   2HD   ARG  48          HD1       ARG  48  -5.495   5.274  -0.360
  302    HE   ARG  48           HE       ARG  48  -6.308   4.301   2.244
  303   1HH1  ARG  48          HH11      ARG  48  -6.505   6.854  -0.116
  304   2HH1  ARG  48          HH12      ARG  48  -7.980   7.504   0.519
  305   1HH2  ARG  48          HH21      ARG  48  -8.250   5.149   3.090
  306   2HH2  ARG  48          HH22      ARG  48  -8.971   6.535   2.342
  307    H    ARG  49           HN       ARG  49  -6.848   1.195  -3.189
  308    HA   ARG  49           HA       ARG  49  -4.919   0.031  -4.922
  309   1HB   ARG  49          HB2       ARG  49  -7.653   0.773  -5.865
  310   2HB   ARG  49          HB1       ARG  49  -6.704  -0.665  -6.220
  311   1HG   ARG  49          HG2       ARG  49  -7.094  -0.816  -3.497
  312   2HG   ARG  49          HG1       ARG  49  -8.624  -0.178  -4.102
  313   1HD   ARG  49          HD2       ARG  49  -7.237  -2.732  -4.884
  314   2HD   ARG  49          HD1       ARG  49  -8.813  -2.545  -4.115
  315    HE   ARG  49           HE       ARG  49  -8.192  -2.243  -6.929
  316   1HH1  ARG  49          HH11      ARG  49 -10.482  -1.696  -4.362
  317   2HH1  ARG  49          HH12      ARG  49 -11.838  -1.542  -5.429
  318   1HH2  ARG  49          HH21      ARG  49  -9.970  -2.043  -8.343
  319   2HH2  ARG  49          HH22      ARG  49 -11.547  -1.740  -7.693
  320    H    ALA  50           HN       ALA  50  -6.045   3.219  -4.545
  321    HA   ALA  50           HA       ALA  50  -4.270   4.214  -6.517
  322   1HB   ALA  50          HB1       ALA  50  -6.653   5.266  -7.567
  323   2HB   ALA  50          HB2       ALA  50  -6.888   3.523  -7.445
  324   3HB   ALA  50          HB3       ALA  50  -5.518   4.166  -8.348
  325    H    ARG  51           HN       ARG  51  -5.167   6.666  -7.070
  326    HA   ARG  51           HA       ARG  51  -6.103   7.870  -4.571
  327   1HB   ARG  51          HB2       ARG  51  -3.397   7.994  -5.577
  328   2HB   ARG  51          HB1       ARG  51  -4.105   9.602  -5.508
  329   1HG   ARG  51          HG2       ARG  51  -4.714   8.164  -3.105
  330   2HG   ARG  51          HG1       ARG  51  -2.977   8.133  -3.412
  331   1HD   ARG  51          HD2       ARG  51  -3.955  10.097  -2.062
  332   2HD   ARG  51          HD1       ARG  51  -2.796  10.448  -3.343
  333    HE   ARG  51           HE       ARG  51  -4.446  11.545  -4.489
  334   1HH1  ARG  51          HH11      ARG  51  -5.890   9.603  -1.985
  335   2HH1  ARG  51          HH12      ARG  51  -7.477  10.260  -2.210
  336   1HH2  ARG  51          HH21      ARG  51  -6.531  12.418  -4.794
  337   2HH2  ARG  51          HH22      ARG  51  -7.841  11.862  -3.807
  338    H    GLY  52           HN       GLY  52  -4.586   9.493  -7.306
  339   1HA   GLY  52          HA2       GLY  52  -5.426  11.302  -8.505
  340   2HA   GLY  52          HA1       GLY  52  -6.527  10.048  -9.056
  341    H    ASP  53           HN       ASP  53  -8.640  10.226  -8.596
  342    HA   ASP  53           HA       ASP  53  -9.445  12.479  -6.885
  343   1HB   ASP  53          HB2       ASP  53 -10.617  11.236  -9.336
  344   2HB   ASP  53          HB1       ASP  53 -11.708  11.986  -8.174
  345    H    ASP  54           HN       ASP  54  -9.458   9.086  -7.155
  346    HA   ASP  54           HA       ASP  54 -10.784   8.797  -4.628
  347   1HB   ASP  54          HB2       ASP  54 -12.094   7.348  -6.918
  348   2HB   ASP  54          HB1       ASP  54 -12.701   7.598  -5.284
  349    H    LEU  55           HN       LEU  55 -11.508   5.988  -5.238
  350    HA   LEU  55           HA       LEU  55 -10.582   3.908  -5.357
  351   1HB   LEU  55          HB2       LEU  55  -8.067   5.244  -6.345
  352   2HB   LEU  55          HB1       LEU  55  -8.477   3.544  -6.470
  353    HG   LEU  55           HG       LEU  55  -8.960   4.224  -8.598
  354   1HD1  LEU  55          HD11      LEU  55 -11.597   5.159  -7.628
  355   2HD1  LEU  55          HD12      LEU  55 -11.086   3.538  -7.156
  356   3HD1  LEU  55          HD13      LEU  55 -11.198   3.965  -8.863
  357   1HD2  LEU  55          HD21      LEU  55  -8.518   6.692  -7.785
  358   2HD2  LEU  55          HD22      LEU  55 -10.278   6.787  -7.863
  359   3HD2  LEU  55          HD23      LEU  55  -9.353   6.362  -9.304
  360    H    ASP  56           HN       ASP  56 -10.081   2.866  -3.580
  361    HA   ASP  56           HA       ASP  56  -7.687   3.350  -2.088
  362   1HB   ASP  56          HB2       ASP  56 -10.233   3.797  -0.549
  363   2HB   ASP  56          HB1       ASP  56  -8.580   4.166  -0.068
  364    H    ASP  57           HN       ASP  57  -8.557   2.207   0.328
  365    HA   ASP  57           HA       ASP  57 -10.110   0.061   0.483
  366   1HB   ASP  57          HB2       ASP  57  -7.968  -0.516  -1.458
  367   2HB   ASP  57          HB1       ASP  57  -8.241  -1.759  -0.239
  368    H    TYR  58           HN       TYR  58  -9.178  -1.843   1.799
  369    HA   TYR  58           HA       TYR  58  -7.222  -0.763   3.714
  370   1HB   TYR  58          HB2       TYR  58  -9.727  -2.359   4.111
  371   2HB   TYR  58          HB1       TYR  58  -8.431  -2.446   5.295
  372    HD1  TYR  58           HD1      TYR  58  -8.819  -1.144   7.153
  373    HD2  TYR  58           HD2      TYR  58 -10.064   0.295   3.349
  374    HE1  TYR  58           HE1      TYR  58  -9.641   0.919   8.209
  375    HE2  TYR  58           HE2      TYR  58 -10.889   2.363   4.393
  376    HH   TYR  58           HH       TYR  58 -11.431   2.704   7.619
  377    H    CYS  59           HN       CYS  59  -5.780  -2.232   4.717
  378    HA   CYS  59           HA       CYS  59  -4.886  -4.284   2.925
  379   1HB   CYS  59          HB2       CYS  59  -3.794  -2.978   5.330
  380   2HB   CYS  59          HB1       CYS  59  -3.110  -4.509   4.846
  381    H    ASN  60           HN       ASN  60  -5.318  -6.332   3.004
  382    HA   ASN  60           HA       ASN  60  -5.559  -7.795   5.472
  383   1HB   ASN  60          HB2       ASN  60  -7.877  -7.435   3.582
  384   2HB   ASN  60          HB1       ASN  60  -7.721  -8.895   4.555
  385   1HD2  ASN  60          HD21      ASN  60  -7.660  -5.367   4.858
  386   2HD2  ASN  60          HD22      ASN  60  -8.459  -5.321   6.379
  387    H    GLY  61           HN       GLY  61  -4.573  -9.766   5.159
  388   1HA   GLY  61          HA2       GLY  61  -3.300 -11.312   3.969
  389   2HA   GLY  61          HA1       GLY  61  -4.756 -11.448   2.985
  390    H    ILE  62           HN       ILE  62  -2.997  -8.527   3.389
  391    HA   ILE  62           HA       ILE  62  -2.613  -8.247   0.543
  392    HB   ILE  62           HB       ILE  62  -1.657  -5.966   1.354
  393   1HG1  ILE  62          HG12      ILE  62  -2.274  -5.208   3.459
  394   2HG1  ILE  62          HG11      ILE  62  -3.445  -6.481   3.705
  395   1HG2  ILE  62          HG21      ILE  62  -3.567  -5.610   0.254
  396   2HG2  ILE  62          HG22      ILE  62  -4.252  -5.419   1.857
  397   3HG2  ILE  62          HG23      ILE  62  -4.387  -6.963   1.030
  398   1HD1  ILE  62          HD11      ILE  62  -0.685  -7.407   3.536
  399   2HD1  ILE  62          HD12      ILE  62  -1.948  -7.799   4.693
  400   3HD1  ILE  62          HD13      ILE  62  -1.013  -6.319   4.873
  401    H    SER  63           HN       SER  63  -0.778 -10.120   0.891
  402    HA   SER  63           HA       SER  63   1.732  -9.075   1.795
  403   1HB   SER  63          HB2       SER  63   2.698 -11.083   0.694
  404   2HB   SER  63          HB1       SER  63   1.392 -11.472   1.814
  405    HG   SER  63           HG       SER  63   0.469 -12.421   0.194
  406    H    ALA  64           HN       ALA  64   1.097  -7.078   0.471
  407    HA   ALA  64           HA       ALA  64   1.896  -5.641  -1.098
  408   1HB   ALA  64          HB1       ALA  64   3.029  -7.316  -3.089
  409   2HB   ALA  64          HB2       ALA  64   3.580  -7.869  -1.507
  410   3HB   ALA  64          HB3       ALA  64   3.836  -6.200  -1.996
  411    H    GLY  65           HN       GLY  65  -0.584  -7.229  -1.048
  412   1HA   GLY  65          HA2       GLY  65  -1.423  -6.699  -3.821
  413   2HA   GLY  65          HA1       GLY  65  -1.876  -8.204  -3.034
  414    H    CYS  66           HN       CYS  66  -4.021  -8.061  -2.675
  415    HA   CYS  66           HA       CYS  66  -4.994  -6.158  -0.777
  416   1HB   CYS  66          HB2       CYS  66  -5.660  -5.827  -3.675
  417   2HB   CYS  66          HB1       CYS  66  -6.842  -5.387  -2.447
  418    HA   PRO  67           HA       PRO  67  -7.727  -9.497   0.128
  419   1HB   PRO  67          HB2       PRO  67  -9.788  -8.033   1.225
  420   2HB   PRO  67          HB1       PRO  67  -8.311  -8.474   2.089
  421   1HG   PRO  67          HG2       PRO  67  -8.998  -5.909   0.698
  422   2HG   PRO  67          HG1       PRO  67  -8.220  -6.152   2.274
  423   1HD   PRO  67          HD2       PRO  67  -6.774  -5.525   0.127
  424   2HD   PRO  67          HD1       PRO  67  -6.174  -6.697   1.319
  425    H    ARG  68           HN       ARG  68 -10.479  -9.402   0.165
  426    HA   ARG  68           HA       ARG  68 -11.239  -8.657  -2.576
  427   1HB   ARG  68          HB2       ARG  68 -11.560 -11.304  -1.199
  428   2HB   ARG  68          HB1       ARG  68 -12.697 -10.812  -2.447
  429   1HG   ARG  68          HG2       ARG  68 -10.385 -10.334  -3.726
  430   2HG   ARG  68          HG1       ARG  68  -9.884 -11.656  -2.669
  431   1HD   ARG  68          HD2       ARG  68 -12.208 -11.683  -4.592
  432   2HD   ARG  68          HD1       ARG  68 -10.668 -12.514  -4.805
  433    HE   ARG  68           HE       ARG  68 -11.490 -13.574  -2.514
  434   1HH1  ARG  68          HH11      ARG  68 -13.229 -12.983  -5.473
  435   2HH1  ARG  68          HH12      ARG  68 -14.312 -14.317  -5.256
  436   1HH2  ARG  68          HH21      ARG  68 -12.910 -15.334  -2.217
  437   2HH2  ARG  68          HH22      ARG  68 -14.131 -15.654  -3.404
  438    H    ASN  69           HN       ASN  69 -11.720  -7.826   0.410
  439    HA   ASN  69           HA       ASN  69 -14.647  -7.897   0.405
  440   1HB   ASN  69          HB2       ASN  69 -12.949  -6.739   2.602
  441   2HB   ASN  69          HB1       ASN  69 -14.576  -7.405   2.702
  442   1HD2  ASN  69          HD21      ASN  69 -14.578  -9.793   1.800
  443   2HD2  ASN  69          HD22      ASN  69 -13.387 -10.812   2.526
  444    HA   PRO  70           HA       PRO  70 -15.037  -3.690  -0.835
  445   1HB   PRO  70          HB2       PRO  70 -17.319  -2.970   0.421
  446   2HB   PRO  70          HB1       PRO  70 -17.301  -4.104  -0.935
  447   1HG   PRO  70          HG2       PRO  70 -17.455  -4.664   2.001
  448   2HG   PRO  70          HG1       PRO  70 -18.360  -5.409   0.671
  449   1HD   PRO  70          HD2       PRO  70 -16.194  -6.577   1.832
  450   2HD   PRO  70          HD1       PRO  70 -16.638  -6.834   0.133
  451    H    PHE  71           HN       PHE  71 -14.031  -1.890  -0.209
  452    HA   PHE  71           HA       PHE  71 -14.136  -1.101   2.618
  453   1HB   PHE  71          HB2       PHE  71 -11.661  -1.240   0.889
  454   2HB   PHE  71          HB1       PHE  71 -11.729  -0.413   2.441
  455    HD1  PHE  71           HD1      PHE  71 -12.652  -1.899   4.421
  456    HD2  PHE  71           HD2      PHE  71 -10.913  -3.408   0.842
  457    HE1  PHE  71           HE1      PHE  71 -12.126  -4.010   5.571
  458    HE2  PHE  71           HE2      PHE  71 -10.385  -5.522   1.985
  459    HZ   PHE  71           HZ       PHE  71 -10.992  -5.825   4.353
  460    H    HIS  72           HN       HIS  72 -12.846   0.029  -0.516
  461    HA   HIS  72           HA       HIS  72 -13.269   2.772   0.095
  462   1HB   HIS  72          HB2       HIS  72 -11.594   2.402  -1.494
  463   2HB   HIS  72          HB1       HIS  72 -12.574   1.255  -2.402
  464    HD1  HIS  72           HD1      HIS  72 -12.331   4.976  -1.733
  465    HD2  HIS  72           HD2      HIS  72 -13.947   2.334  -4.504
  466    HE1  HIS  72           HE1      HIS  72 -13.193   6.413  -3.608
  467    HE2  HIS  72           HE2      HIS  72 -14.241   4.798  -5.234
  468    H    ALA  73           HN       ALA  73 -15.074   3.931  -0.010
  469    HA   ALA  73           HA       ALA  73 -17.414   2.758  -1.340
  470   1HB   ALA  73          HB1       ALA  73 -17.961   3.188   0.886
  471   2HB   ALA  73          HB2       ALA  73 -18.630   4.569   0.016
  472   3HB   ALA  73          HB3       ALA  73 -17.110   4.733   0.895
  Start of MODEL    2
    1   1H    GLU   1           HT1      GLU   1  -1.118  12.483   2.918
    2   2H    GLU   1           HT2      GLU   1   0.278  11.501   3.102
    3   3H    GLU   1           HT3      GLU   1   0.244  13.083   3.769
    4    HA   GLU   1           HA       GLU   1  -0.079  11.167   5.320
    5   1HB   GLU   1          HB2       GLU   1  -0.777  13.740   5.413
    6   2HB   GLU   1          HB1       GLU   1  -2.391  13.043   5.453
    7   1HG   GLU   1          HG2       GLU   1  -1.983  13.148   7.678
    8   2HG   GLU   1          HG1       GLU   1  -1.312  11.551   7.346
    9    H    ALA   2           HN       ALA   2  -1.271  10.292   2.729
   10    HA   ALA   2           HA       ALA   2  -3.999   9.618   3.176
   11   1HB   ALA   2          HB1       ALA   2  -2.801   7.792   1.351
   12   2HB   ALA   2          HB2       ALA   2  -2.139   9.399   1.055
   13   3HB   ALA   2          HB3       ALA   2  -3.883   9.142   1.013
   14    H    GLY   3           HN       GLY   3  -4.902   7.897   4.153
   15   1HA   GLY   3          HA2       GLY   3  -5.068   6.046   5.503
   16   2HA   GLY   3          HA1       GLY   3  -3.826   5.360   4.466
   17    H    GLU   4           HN       GLU   4  -1.601   5.677   5.041
   18    HA   GLU   4           HA       GLU   4  -1.239   6.215   7.919
   19   1HB   GLU   4          HB2       GLU   4   0.033   4.159   6.127
   20   2HB   GLU   4          HB1       GLU   4   0.778   4.641   7.645
   21   1HG   GLU   4          HG2       GLU   4  -1.855   4.090   8.316
   22   2HG   GLU   4          HG1       GLU   4  -1.422   2.839   7.152
   23    H    GLU   5           HN       GLU   5   1.436   6.320   8.146
   24    HA   GLU   5           HA       GLU   5   2.067   8.877   7.071
   25   1HB   GLU   5          HB2       GLU   5   4.101   7.006   8.256
   26   2HB   GLU   5          HB1       GLU   5   4.048   8.761   8.332
   27   1HG   GLU   5          HG2       GLU   5   1.839   8.340   9.661
   28   2HG   GLU   5          HG1       GLU   5   2.545   6.747   9.926
   29    H    CYS   6           HN       CYS   6   4.952   8.183   6.609
   30    HA   CYS   6           HA       CYS   6   6.339   7.650   4.878
   31   1HB   CYS   6          HB2       CYS   6   5.532   5.378   5.121
   32   2HB   CYS   6          HB1       CYS   6   4.089   5.754   4.194
   33    H    ASP   7           HN       ASP   7   6.773   8.429   2.833
   34    HA   ASP   7           HA       ASP   7   4.574   9.918   1.569
   35   1HB   ASP   7          HB2       ASP   7   7.566  10.333   1.514
   36   2HB   ASP   7          HB1       ASP   7   6.453  11.209   0.467
   37    H    CYS   8           HN       CYS   8   7.127   7.596   1.005
   38    HA   CYS   8           HA       CYS   8   6.635   7.451  -1.847
   39   1HB   CYS   8          HB2       CYS   8   8.298   5.641  -0.090
   40   2HB   CYS   8          HB1       CYS   8   8.323   5.702  -1.844
   41    H    GLY   9           HN       GLY   9   4.323   6.814  -0.154
   42   1HA   GLY   9          HA2       GLY   9   4.132   3.908  -0.525
   43   2HA   GLY   9          HA1       GLY   9   3.125   4.859   0.553
   44    H    SER  10           HN       SER  10   3.500   3.559  -2.572
   45    HA   SER  10           HA       SER  10   0.818   4.412  -3.217
   46   1HB   SER  10          HB2       SER  10   3.235   5.204  -4.802
   47   2HB   SER  10          HB1       SER  10   1.689   4.966  -5.615
   48    HG   SER  10           HG       SER  10   2.471   7.123  -4.420
   49    HA   PRO  11           HA       PRO  11   0.445   0.215  -4.582
   50   1HB   PRO  11          HB2       PRO  11  -1.245   1.378  -6.745
   51   2HB   PRO  11          HB1       PRO  11  -1.607   0.067  -5.616
   52   1HG   PRO  11          HG2       PRO  11  -2.676   2.488  -5.284
   53   2HG   PRO  11          HG1       PRO  11  -2.153   1.517  -3.896
   54   1HD   PRO  11          HD2       PRO  11  -0.853   3.891  -5.147
   55   2HD   PRO  11          HD1       PRO  11  -0.901   3.395  -3.443
   56    H    GLY  12           HN       GLY  12   2.638   0.132  -5.277
   57   1HA   GLY  12          HA2       GLY  12   3.539  -0.876  -7.433
   58   2HA   GLY  12          HA1       GLY  12   3.057   0.657  -8.156
   59    H    ASN  13           HN       ASN  13   3.719   2.035  -5.634
   60    HA   ASN  13           HA       ASN  13   6.654   2.050  -5.846
   61   1HB   ASN  13          HB2       ASN  13   4.682   4.311  -5.581
   62   2HB   ASN  13          HB1       ASN  13   6.345   4.501  -5.035
   63   1HD2  ASN  13          HD21      ASN  13   7.523   5.528  -6.463
   64   2HD2  ASN  13          HD22      ASN  13   7.423   5.368  -8.180
   65    HA   PRO  14           HA       PRO  14   5.021   0.449  -1.671
   66   1HB   PRO  14          HB2       PRO  14   7.537  -0.856  -1.521
   67   2HB   PRO  14          HB1       PRO  14   5.975  -1.589  -1.877
   68   1HG   PRO  14          HG2       PRO  14   8.083  -0.614  -3.753
   69   2HG   PRO  14          HG1       PRO  14   7.023  -2.027  -3.904
   70   1HD   PRO  14          HD2       PRO  14   6.502   0.120  -5.334
   71   2HD   PRO  14          HD1       PRO  14   5.160  -0.691  -4.489
   72    H    CYS  15           HN       CYS  15   5.191   2.107  -0.267
   73    HA   CYS  15           HA       CYS  15   6.316   4.046   0.617
   74   1HB   CYS  15          HB2       CYS  15   5.763   2.132   2.233
   75   2HB   CYS  15          HB1       CYS  15   7.484   1.783   2.201
   76    H    CYS  16           HN       CYS  16   7.727   3.796  -1.550
   77    HA   CYS  16           HA       CYS  16   9.686   4.625  -2.262
   78   1HB   CYS  16          HB2       CYS  16  10.057   4.761   0.512
   79   2HB   CYS  16          HB1       CYS  16  11.513   4.035  -0.158
   80    H    ASP  17           HN       ASP  17  11.265   3.831  -3.490
   81    HA   ASP  17           HA       ASP  17  12.170   1.100  -3.023
   82   1HB   ASP  17          HB2       ASP  17  11.502   0.322  -5.205
   83   2HB   ASP  17          HB1       ASP  17  10.089   0.946  -4.364
   84    H    ALA  18           HN       ALA  18  12.866   4.234  -4.066
   85    HA   ALA  18           HA       ALA  18  14.895   5.125  -4.661
   86   1HB   ALA  18          HB1       ALA  18  15.986   2.472  -5.477
   87   2HB   ALA  18          HB2       ALA  18  15.772   2.825  -3.763
   88   3HB   ALA  18          HB3       ALA  18  16.808   3.854  -4.752
   89    H    ALA  19           HN       ALA  19  13.618   2.504  -6.634
   90    HA   ALA  19           HA       ALA  19  13.220   4.147  -8.897
   91   1HB   ALA  19          HB1       ALA  19  15.543   4.023  -9.283
   92   2HB   ALA  19          HB2       ALA  19  14.813   2.856 -10.385
   93   3HB   ALA  19          HB3       ALA  19  15.592   2.302  -8.903
   94    H    THR  20           HN       THR  20  13.586   0.941  -7.522
   95    HA   THR  20           HA       THR  20  11.144   0.089  -8.865
   96    HB   THR  20           HB       THR  20  13.817  -1.275  -9.139
   97    HG1  THR  20           HG1      THR  20  13.359   0.007 -10.856
   98   1HG2  THR  20          HG21      THR  20  11.158  -2.527  -9.768
   99   2HG2  THR  20          HG22      THR  20  12.190  -2.971  -8.409
  100   3HG2  THR  20          HG23      THR  20  12.754  -3.217 -10.062
  101    H    CYS  21           HN       CYS  21   9.859  -0.618  -7.316
  102    HA   CYS  21           HA       CYS  21   9.770  -0.837  -4.821
  103   1HB   CYS  21          HB2       CYS  21   9.307  -3.389  -6.376
  104   2HB   CYS  21          HB1       CYS  21   8.635  -3.013  -4.792
  105    H    LYS  22           HN       LYS  22  11.713  -0.720  -3.697
  106    HA   LYS  22           HA       LYS  22  12.718  -3.154  -2.678
  107   1HB   LYS  22          HB2       LYS  22  14.125  -1.972  -4.974
  108   2HB   LYS  22          HB1       LYS  22  15.155  -2.356  -3.603
  109   1HG   LYS  22          HG2       LYS  22  14.978  -4.565  -3.926
  110   2HG   LYS  22          HG1       LYS  22  13.265  -4.472  -4.340
  111   1HD   LYS  22          HD2       LYS  22  13.992  -4.977  -6.412
  112   2HD   LYS  22          HD1       LYS  22  14.373  -3.256  -6.491
  113   1HE   LYS  22          HE2       LYS  22  16.276  -5.444  -5.658
  114   2HE   LYS  22          HE1       LYS  22  16.251  -4.651  -7.233
  115   1HZ   LYS  22          HZ1       LYS  22  17.151  -2.754  -6.398
  116   2HZ   LYS  22          HZ2       LYS  22  17.846  -3.859  -5.322
  117   3HZ   LYS  22          HZ3       LYS  22  16.489  -2.964  -4.855
  118    H    LEU  23           HN       LEU  23  11.767  -1.186  -1.196
  119    HA   LEU  23           HA       LEU  23  13.649   0.814  -0.471
  120   1HB   LEU  23          HB2       LEU  23  12.261   0.943   1.684
  121   2HB   LEU  23          HB1       LEU  23  11.517   1.407   0.180
  122    HG   LEU  23           HG       LEU  23  10.439  -0.254   2.081
  123   1HD1  LEU  23          HD11      LEU  23   9.296   1.048   0.322
  124   2HD1  LEU  23          HD12      LEU  23   8.657  -0.583   0.522
  125   3HD1  LEU  23          HD13      LEU  23   9.714  -0.214  -0.837
  126   1HD2  LEU  23          HD21      LEU  23  10.678  -2.424   1.642
  127   2HD2  LEU  23          HD22      LEU  23  12.140  -1.953   0.788
  128   3HD2  LEU  23          HD23      LEU  23  10.639  -2.177  -0.100
  129    H    ARG  24           HN       ARG  24  14.131   0.937   2.076
  130    HA   ARG  24           HA       ARG  24  15.788  -1.420   2.608
  131   1HB   ARG  24          HB2       ARG  24  15.929   1.450   3.483
  132   2HB   ARG  24          HB1       ARG  24  16.802   0.201   4.359
  133   1HG   ARG  24          HG2       ARG  24  17.772  -0.426   2.056
  134   2HG   ARG  24          HG1       ARG  24  17.204   1.169   1.559
  135   1HD   ARG  24          HD2       ARG  24  19.053   2.049   2.417
  136   2HD   ARG  24          HD1       ARG  24  18.521   1.528   4.015
  137    HE   ARG  24           HE       ARG  24  20.059  -0.170   3.943
  138   1HH1  ARG  24          HH11      ARG  24  19.683   1.186   0.758
  139   2HH1  ARG  24          HH12      ARG  24  21.018   0.311   0.086
  140   1HH2  ARG  24          HH21      ARG  24  21.819  -1.329   3.068
  141   2HH2  ARG  24          HH22      ARG  24  22.232  -1.120   1.399
  142    H    GLN  25           HN       GLN  25  12.866  -0.107   3.508
  143    HA   GLN  25           HA       GLN  25  12.976  -1.321   6.181
  144   1HB   GLN  25          HB2       GLN  25  11.476   0.993   5.066
  145   2HB   GLN  25          HB1       GLN  25  10.710   0.050   6.337
  146   1HG   GLN  25          HG2       GLN  25  11.796   1.356   7.763
  147   2HG   GLN  25          HG1       GLN  25  13.246   0.460   7.313
  148   1HE2  GLN  25          HE21      GLN  25  14.832   1.881   7.174
  149   2HE2  GLN  25          HE22      GLN  25  14.779   3.376   6.309
  150    H    GLY  26           HN       GLY  26   9.957  -0.591   4.678
  151   1HA   GLY  26          HA2       GLY  26   9.397  -2.974   3.356
  152   2HA   GLY  26          HA1       GLY  26   8.980  -3.220   5.044
  153    H    ALA  27           HN       ALA  27   8.431  -0.992   2.328
  154    HA   ALA  27           HA       ALA  27   6.428   0.556   3.140
  155   1HB   ALA  27          HB1       ALA  27   7.322   0.635   0.895
  156   2HB   ALA  27          HB2       ALA  27   5.565   0.510   0.829
  157   3HB   ALA  27          HB3       ALA  27   6.562  -0.906   0.513
  158    H    GLN  28           HN       GLN  28   6.146  -2.825   2.685
  159    HA   GLN  28           HA       GLN  28   3.915  -3.867   2.281
  160   1HB   GLN  28          HB2       GLN  28   4.373  -4.030   5.203
  161   2HB   GLN  28          HB1       GLN  28   4.012  -5.297   4.058
  162   1HG   GLN  28          HG2       GLN  28   6.193  -5.386   3.290
  163   2HG   GLN  28          HG1       GLN  28   6.628  -3.871   4.057
  164   1HE2  GLN  28          HE21      GLN  28   5.174  -6.956   5.046
  165   2HE2  GLN  28          HE22      GLN  28   6.180  -7.183   6.432
  166    H    CYS  29           HN       CYS  29   2.458  -2.068   1.866
  167    HA   CYS  29           HA       CYS  29   0.459  -1.051   2.249
  168   1HB   CYS  29          HB2       CYS  29   0.579  -2.598   4.841
  169   2HB   CYS  29          HB1       CYS  29  -0.799  -1.626   4.339
  170    H    ALA  30           HN       ALA  30   2.431   0.566   2.428
  171    HA   ALA  30           HA       ALA  30   2.416   1.904   5.027
  172   1HB   ALA  30          HB1       ALA  30   4.527   1.487   3.650
  173   2HB   ALA  30          HB2       ALA  30   4.304   3.103   4.320
  174   3HB   ALA  30          HB3       ALA  30   3.964   2.800   2.616
  175    H    GLU  31           HN       GLU  31   3.030   4.491   3.424
  176    HA   GLU  31           HA       GLU  31   0.658   5.816   3.714
  177   1HB   GLU  31          HB2       GLU  31   2.985   6.692   2.925
  178   2HB   GLU  31          HB1       GLU  31   2.381   6.366   1.309
  179   1HG   GLU  31          HG2       GLU  31   0.327   7.783   2.190
  180   2HG   GLU  31          HG1       GLU  31   1.569   8.446   3.252
  181    H    GLY  32           HN       GLY  32   1.671   3.614   1.275
  182   1HA   GLY  32          HA2       GLY  32  -1.043   3.308   0.344
  183   2HA   GLY  32          HA1       GLY  32   0.096   3.880  -0.870
  184    H    LEU  33           HN       LEU  33  -1.024   1.584  -1.496
  185    HA   LEU  33           HA       LEU  33   0.013  -0.757  -0.405
  186   1HB   LEU  33          HB2       LEU  33  -1.778  -0.160  -2.350
  187   2HB   LEU  33          HB1       LEU  33  -0.455  -0.802  -3.305
  188    HG   LEU  33           HG       LEU  33  -2.322  -2.391  -2.483
  189   1HD1  LEU  33          HD11      LEU  33  -0.608  -4.210  -2.191
  190   2HD1  LEU  33          HD12      LEU  33   0.620  -2.950  -2.288
  191   3HD1  LEU  33          HD13      LEU  33  -0.454  -3.236  -3.653
  192   1HD2  LEU  33          HD21      LEU  33  -1.655  -1.457  -0.034
  193   2HD2  LEU  33          HD22      LEU  33  -0.665  -2.913  -0.112
  194   3HD2  LEU  33          HD23      LEU  33  -2.413  -3.022  -0.323
  195    H    CYS  34           HN       CYS  34   1.599  -2.160  -0.958
  196    HA   CYS  34           HA       CYS  34   3.971  -0.994  -2.204
  197   1HB   CYS  34          HB2       CYS  34   4.774  -1.709  -0.203
  198   2HB   CYS  34          HB1       CYS  34   3.464  -2.856   0.021
  199    H    CYS  35           HN       CYS  35   5.439  -2.596  -3.296
  200    HA   CYS  35           HA       CYS  35   4.023  -4.677  -4.746
  201   1HB   CYS  35          HB2       CYS  35   4.017  -3.562  -6.686
  202   2HB   CYS  35          HB1       CYS  35   4.713  -2.170  -5.871
  203    H    ASP  36           HN       ASP  36   6.749  -3.774  -3.050
  204    HA   ASP  36           HA       ASP  36   8.508  -5.645  -4.411
  205   1HB   ASP  36          HB2       ASP  36   9.967  -4.847  -2.282
  206   2HB   ASP  36          HB1       ASP  36   9.914  -3.993  -3.815
  207    H    GLN  37           HN       GLN  37  10.016  -6.807  -2.693
  208    HA   GLN  37           HA       GLN  37   8.691  -9.013  -1.767
  209   1HB   GLN  37          HB2       GLN  37  11.220  -7.824  -0.615
  210   2HB   GLN  37          HB1       GLN  37  10.683  -9.486  -0.412
  211   1HG   GLN  37          HG2       GLN  37  10.941  -9.903  -2.770
  212   2HG   GLN  37          HG1       GLN  37  11.349  -8.212  -3.055
  213   1HE2  GLN  37          HE21      GLN  37  13.414  -8.073  -3.541
  214   2HE2  GLN  37          HE22      GLN  37  14.709  -8.886  -2.735
  215    H    CYS  38           HN       CYS  38   8.797  -5.882  -0.365
  216    HA   CYS  38           HA       CYS  38   8.656  -5.814   2.204
  217   1HB   CYS  38          HB2       CYS  38   7.031  -4.172   2.160
  218   2HB   CYS  38          HB1       CYS  38   7.613  -4.160   0.509
  219    H    ARG  39           HN       ARG  39   5.970  -7.387   0.440
  220    HA   ARG  39           HA       ARG  39   5.048  -9.462   1.066
  221   1HB   ARG  39          HB2       ARG  39   6.920  -9.498   2.889
  222   2HB   ARG  39          HB1       ARG  39   5.605  -9.044   3.964
  223   1HG   ARG  39          HG2       ARG  39   5.247 -11.369   2.137
  224   2HG   ARG  39          HG1       ARG  39   6.223 -11.553   3.596
  225   1HD   ARG  39          HD2       ARG  39   4.438 -11.372   4.976
  226   2HD   ARG  39          HD1       ARG  39   3.613 -10.216   3.932
  227    HE   ARG  39           HE       ARG  39   3.454 -12.516   2.529
  228   1HH1  ARG  39          HH11      ARG  39   2.683 -11.683   5.821
  229   2HH1  ARG  39          HH12      ARG  39   1.405 -12.845   5.952
  230   1HH2  ARG  39          HH21      ARG  39   1.774 -14.050   2.691
  231   2HH2  ARG  39          HH22      ARG  39   0.889 -14.192   4.173
  232    H    PHE  40           HN       PHE  40   4.422  -6.499   2.819
  233    HA   PHE  40           HA       PHE  40   2.411  -5.511   3.329
  234   1HB   PHE  40          HB2       PHE  40   1.070  -7.887   2.058
  235   2HB   PHE  40          HB1       PHE  40   0.432  -6.249   2.251
  236    HD1  PHE  40           HD1      PHE  40   2.636  -8.397   0.324
  237    HD2  PHE  40           HD2      PHE  40   1.301  -4.416   0.943
  238    HE1  PHE  40           HE1      PHE  40   3.720  -7.727  -1.751
  239    HE2  PHE  40           HE2      PHE  40   2.349  -3.750  -1.150
  240    HZ   PHE  40           HZ       PHE  40   3.565  -5.390  -2.524
  241    H    MET  41           HN       MET  41   0.515  -5.703   4.689
  242    HA   MET  41           HA       MET  41   1.094  -7.191   7.025
  243   1HB   MET  41          HB2       MET  41  -0.901  -5.161   6.201
  244   2HB   MET  41          HB1       MET  41  -1.336  -6.189   7.559
  245   1HG   MET  41          HG2       MET  41   1.343  -5.249   7.893
  246   2HG   MET  41          HG1       MET  41   0.270  -3.889   7.571
  247   1HE   MET  41          HE1       MET  41   0.450  -6.728  11.057
  248   2HE   MET  41          HE2       MET  41   0.815  -7.070   9.366
  249   3HE   MET  41          HE3       MET  41  -0.834  -7.248   9.966
  250    H    LYS  42           HN       LYS  42  -2.255  -7.005   6.165
  251    HA   LYS  42           HA       LYS  42  -3.100  -9.123   4.918
  252   1HB   LYS  42          HB2       LYS  42  -1.659 -10.104   7.300
  253   2HB   LYS  42          HB1       LYS  42  -3.234 -10.832   7.017
  254   1HG   LYS  42          HG2       LYS  42  -1.114 -10.669   4.898
  255   2HG   LYS  42          HG1       LYS  42  -1.265 -12.030   6.011
  256   1HD   LYS  42          HD2       LYS  42  -3.838 -11.637   5.035
  257   2HD   LYS  42          HD1       LYS  42  -2.794 -11.406   3.632
  258   1HE   LYS  42          HE2       LYS  42  -2.974 -13.810   5.433
  259   2HE   LYS  42          HE1       LYS  42  -3.352 -13.714   3.714
  260   1HZ   LYS  42          HZ1       LYS  42  -0.738 -13.827   5.038
  261   2HZ   LYS  42          HZ2       LYS  42  -0.860 -13.003   3.566
  262   3HZ   LYS  42          HZ3       LYS  42  -1.280 -14.639   3.656
  263    H    GLU  43           HN       GLU  43  -3.252  -7.240   7.726
  264    HA   GLU  43           HA       GLU  43  -6.153  -7.699   7.942
  265   1HB   GLU  43          HB2       GLU  43  -4.979  -8.448   9.957
  266   2HB   GLU  43          HB1       GLU  43  -4.229  -6.866  10.119
  267   1HG   GLU  43          HG2       GLU  43  -5.931  -6.232  11.372
  268   2HG   GLU  43          HG1       GLU  43  -6.991  -6.407   9.974
  269    H    GLY  44           HN       GLY  44  -7.385  -6.038   7.471
  270   1HA   GLY  44          HA2       GLY  44  -7.278  -3.902   6.210
  271   2HA   GLY  44          HA1       GLY  44  -7.980  -3.709   7.801
  272    H    THR  45           HN       THR  45  -4.875  -3.567   6.069
  273    HA   THR  45           HA       THR  45  -3.954  -1.624   8.041
  274    HB   THR  45           HB       THR  45  -2.325  -2.660   5.754
  275    HG1  THR  45           HG1      THR  45  -3.336  -4.363   7.112
  276   1HG2  THR  45          HG21      THR  45  -1.057  -2.378   8.327
  277   2HG2  THR  45          HG22      THR  45  -1.757  -0.863   7.755
  278   3HG2  THR  45          HG23      THR  45  -0.589  -1.728   6.756
  279    H    ILE  46           HN       ILE  46  -3.281  -1.693   4.587
  280    HA   ILE  46           HA       ILE  46  -4.850   0.565   3.959
  281    HB   ILE  46           HB       ILE  46  -2.183   1.109   4.991
  282   1HG1  ILE  46          HG12      ILE  46  -3.428   3.506   4.476
  283   2HG1  ILE  46          HG11      ILE  46  -4.786   2.398   4.643
  284   1HG2  ILE  46          HG21      ILE  46  -1.853   3.003   3.247
  285   2HG2  ILE  46          HG22      ILE  46  -2.781   1.944   2.186
  286   3HG2  ILE  46          HG23      ILE  46  -1.267   1.379   2.890
  287   1HD1  ILE  46          HD11      ILE  46  -3.101   3.550   6.662
  288   2HD1  ILE  46          HD12      ILE  46  -3.082   1.790   6.762
  289   3HD1  ILE  46          HD13      ILE  46  -4.614   2.661   6.832
  290    H    CYS  47           HN       CYS  47  -5.513  -0.445   2.118
  291    HA   CYS  47           HA       CYS  47  -3.482  -1.348   0.219
  292   1HB   CYS  47          HB2       CYS  47  -4.956  -2.932  -0.351
  293   2HB   CYS  47          HB1       CYS  47  -6.035  -2.328   0.892
  294    H    ARG  48           HN       ARG  48  -4.556   1.460   1.044
  295    HA   ARG  48           HA       ARG  48  -5.730   3.151  -0.364
  296   1HB   ARG  48          HB2       ARG  48  -2.721   3.305  -0.394
  297   2HB   ARG  48          HB1       ARG  48  -3.818   4.659  -0.618
  298   1HG   ARG  48          HG2       ARG  48  -4.259   3.127   1.840
  299   2HG   ARG  48          HG1       ARG  48  -2.698   3.945   1.742
  300   1HD   ARG  48          HD2       ARG  48  -3.621   5.968   1.990
  301   2HD   ARG  48          HD1       ARG  48  -4.925   5.607   0.860
  302    HE   ARG  48           HE       ARG  48  -5.290   4.272   3.349
  303   1HH1  ARG  48          HH11      ARG  48  -5.615   7.357   1.765
  304   2HH1  ARG  48          HH12      ARG  48  -6.880   7.907   2.812
  305   1HH2  ARG  48          HH21      ARG  48  -6.956   4.986   4.733
  306   2HH2  ARG  48          HH22      ARG  48  -7.642   6.559   4.500
  307    H    ARG  49           HN       ARG  49  -6.680   2.832  -2.274
  308    HA   ARG  49           HA       ARG  49  -5.208   3.259  -4.660
  309   1HB   ARG  49          HB2       ARG  49  -5.135   0.628  -3.842
  310   2HB   ARG  49          HB1       ARG  49  -6.486   0.644  -4.967
  311   1HG   ARG  49          HG2       ARG  49  -4.485   2.091  -6.245
  312   2HG   ARG  49          HG1       ARG  49  -3.655   0.729  -5.490
  313   1HD   ARG  49          HD2       ARG  49  -4.342  -0.541  -7.178
  314   2HD   ARG  49          HD1       ARG  49  -5.992  -0.337  -6.592
  315    HE   ARG  49           HE       ARG  49  -5.390   1.895  -8.129
  316   1HH1  ARG  49          HH11      ARG  49  -5.707  -1.545  -8.562
  317   2HH1  ARG  49          HH12      ARG  49  -6.213  -1.423 -10.214
  318   1HH2  ARG  49          HH21      ARG  49  -6.057   2.068 -10.306
  319   2HH2  ARG  49          HH22      ARG  49  -6.411   0.631 -11.205
  320    H    ALA  50           HN       ALA  50  -7.499   4.335  -3.314
  321    HA   ALA  50           HA       ALA  50  -9.763   3.554  -4.988
  322   1HB   ALA  50          HB1       ALA  50  -9.565   4.367  -2.343
  323   2HB   ALA  50          HB2       ALA  50 -11.047   4.167  -3.277
  324   3HB   ALA  50          HB3       ALA  50 -10.275   5.750  -3.176
  325    H    ARG  51           HN       ARG  51 -11.051   6.128  -4.852
  326    HA   ARG  51           HA       ARG  51  -9.402   8.081  -6.128
  327   1HB   ARG  51          HB2       ARG  51 -10.986   7.969  -8.240
  328   2HB   ARG  51          HB1       ARG  51  -9.523   7.000  -8.147
  329   1HG   ARG  51          HG2       ARG  51 -11.877   5.690  -7.019
  330   2HG   ARG  51          HG1       ARG  51 -12.010   6.057  -8.740
  331   1HD   ARG  51          HD2       ARG  51  -9.754   4.547  -7.425
  332   2HD   ARG  51          HD1       ARG  51 -11.066   3.830  -8.360
  333    HE   ARG  51           HE       ARG  51  -8.751   5.220  -9.383
  334   1HH1  ARG  51          HH11      ARG  51 -11.982   4.097 -10.033
  335   2HH1  ARG  51          HH12      ARG  51 -11.772   4.086 -11.753
  336   1HH2  ARG  51          HH21      ARG  51  -8.463   5.209 -11.646
  337   2HH2  ARG  51          HH22      ARG  51  -9.770   4.718 -12.669
  338    H    GLY  52           HN       GLY  52 -12.716   7.603  -7.132
  339   1HA   GLY  52          HA2       GLY  52 -14.463   9.127  -6.952
  340   2HA   GLY  52          HA1       GLY  52 -14.304   8.662  -5.265
  341    H    ASP  53           HN       ASP  53 -13.478  10.095  -3.798
  342    HA   ASP  53           HA       ASP  53 -12.794  12.765  -4.842
  343   1HB   ASP  53          HB2       ASP  53 -14.316  12.041  -2.331
  344   2HB   ASP  53          HB1       ASP  53 -13.759  13.666  -2.716
  345    H    ASP  54           HN       ASP  54 -11.724  10.095  -3.111
  346    HA   ASP  54           HA       ASP  54  -9.360  11.558  -2.233
  347   1HB   ASP  54          HB2       ASP  54 -10.668   9.642  -0.317
  348   2HB   ASP  54          HB1       ASP  54  -9.426  10.847   0.008
  349    H    LEU  55           HN       LEU  55  -8.428   9.265  -0.675
  350    HA   LEU  55           HA       LEU  55  -8.292   7.085  -2.592
  351   1HB   LEU  55          HB2       LEU  55  -5.706   8.252  -1.621
  352   2HB   LEU  55          HB1       LEU  55  -5.978   7.138  -2.948
  353    HG   LEU  55           HG       LEU  55  -6.900  10.008  -2.987
  354   1HD1  LEU  55          HD11      LEU  55  -4.708  10.485  -3.092
  355   2HD1  LEU  55          HD12      LEU  55  -4.857   9.907  -4.751
  356   3HD1  LEU  55          HD13      LEU  55  -4.258   8.828  -3.492
  357   1HD2  LEU  55          HD21      LEU  55  -6.344   8.462  -5.441
  358   2HD2  LEU  55          HD22      LEU  55  -7.610   9.642  -5.102
  359   3HD2  LEU  55          HD23      LEU  55  -7.768   7.986  -4.516
  360    H    ASP  56           HN       ASP  56  -9.425   6.091  -0.795
  361    HA   ASP  56           HA       ASP  56  -7.673   5.425   1.475
  362   1HB   ASP  56          HB2       ASP  56 -10.661   5.592   1.200
  363   2HB   ASP  56          HB1       ASP  56  -9.932   4.627   2.480
  364    H    ASP  57           HN       ASP  57  -8.235   3.177   2.418
  365    HA   ASP  57           HA       ASP  57  -9.313   1.046   1.218
  366   1HB   ASP  57          HB2       ASP  57  -7.165   2.040  -0.451
  367   2HB   ASP  57          HB1       ASP  57  -6.872   0.385   0.049
  368    H    TYR  58           HN       TYR  58  -8.878  -0.805   2.335
  369    HA   TYR  58           HA       TYR  58  -6.664  -0.672   4.266
  370   1HB   TYR  58          HB2       TYR  58  -9.416  -1.844   4.428
  371   2HB   TYR  58          HB1       TYR  58  -8.134  -2.459   5.464
  372    HD1  TYR  58           HD1      TYR  58  -6.649  -0.191   6.320
  373    HD2  TYR  58           HD2      TYR  58 -10.837  -0.497   5.642
  374    HE1  TYR  58           HE1      TYR  58  -7.031   1.660   7.892
  375    HE2  TYR  58           HE2      TYR  58 -11.232   1.355   7.212
  376    HH   TYR  58           HH       TYR  58 -10.229   3.053   8.349
  377    H    CYS  59           HN       CYS  59  -5.405  -2.451   4.688
  378    HA   CYS  59           HA       CYS  59  -5.066  -4.296   2.474
  379   1HB   CYS  59          HB2       CYS  59  -3.482  -3.447   4.830
  380   2HB   CYS  59          HB1       CYS  59  -3.076  -4.959   4.062
  381    H    ASN  60           HN       ASN  60  -5.684  -6.365   2.468
  382    HA   ASN  60           HA       ASN  60  -6.058  -7.800   4.981
  383   1HB   ASN  60          HB2       ASN  60  -8.083  -8.123   2.787
  384   2HB   ASN  60          HB1       ASN  60  -8.223  -8.559   4.487
  385   1HD2  ASN  60          HD21      ASN  60  -7.224  -6.122   5.542
  386   2HD2  ASN  60          HD22      ASN  60  -8.401  -4.895   5.239
  387    H    GLY  61           HN       GLY  61  -6.750  -8.495   1.613
  388   1HA   GLY  61          HA2       GLY  61  -4.910 -10.797   1.733
  389   2HA   GLY  61          HA1       GLY  61  -6.202 -10.584   0.545
  390    H    ILE  62           HN       ILE  62  -4.148  -8.067   1.628
  391    HA   ILE  62           HA       ILE  62  -3.413  -7.240  -0.974
  392    HB   ILE  62           HB       ILE  62  -1.967  -5.609   0.379
  393   1HG1  ILE  62          HG12      ILE  62  -2.149  -5.519   2.657
  394   2HG1  ILE  62          HG11      ILE  62  -3.723  -6.282   2.691
  395   1HG2  ILE  62          HG21      ILE  62  -4.877  -5.505   1.069
  396   2HG2  ILE  62          HG22      ILE  62  -4.333  -5.329  -0.597
  397   3HG2  ILE  62          HG23      ILE  62  -3.792  -4.187   0.633
  398   1HD1  ILE  62          HD11      ILE  62  -2.486  -7.897   3.660
  399   2HD1  ILE  62          HD12      ILE  62  -1.015  -7.446   2.805
  400   3HD1  ILE  62          HD13      ILE  62  -2.253  -8.385   1.988
  401    H    SER  63           HN       SER  63  -2.093  -8.834  -1.932
  402    HA   SER  63           HA       SER  63   0.544  -9.192  -0.684
  403   1HB   SER  63          HB2       SER  63   0.865 -10.901  -2.517
  404   2HB   SER  63          HB1       SER  63  -0.374 -11.296  -1.326
  405    HG   SER  63           HG       SER  63  -1.159  -9.901  -3.612
  406    H    ALA  64           HN       ALA  64  -0.279  -6.758  -1.665
  407    HA   ALA  64           HA       ALA  64   1.029  -5.092  -2.664
  408   1HB   ALA  64          HB1       ALA  64   2.525  -5.451  -4.369
  409   2HB   ALA  64          HB2       ALA  64   1.681  -6.871  -4.968
  410   3HB   ALA  64          HB3       ALA  64   2.616  -6.964  -3.477
  411    H    GLY  65           HN       GLY  65  -1.700  -6.294  -2.944
  412   1HA   GLY  65          HA2       GLY  65  -2.507  -4.741  -5.312
  413   2HA   GLY  65          HA1       GLY  65  -3.166  -6.350  -5.038
  414    H    CYS  66           HN       CYS  66  -5.079  -6.409  -4.042
  415    HA   CYS  66           HA       CYS  66  -5.677  -4.812  -1.764
  416   1HB   CYS  66          HB2       CYS  66  -6.816  -4.008  -4.414
  417   2HB   CYS  66          HB1       CYS  66  -7.768  -3.786  -2.950
  418    HA   PRO  67           HA       PRO  67  -8.277  -8.254  -0.907
  419   1HB   PRO  67          HB2       PRO  67 -10.026  -6.293   0.473
  420   2HB   PRO  67          HB1       PRO  67  -9.260  -7.755   1.102
  421   1HG   PRO  67          HG2       PRO  67  -8.344  -5.329   1.749
  422   2HG   PRO  67          HG1       PRO  67  -7.239  -6.690   1.483
  423   1HD   PRO  67          HD2       PRO  67  -7.877  -4.386  -0.302
  424   2HD   PRO  67          HD1       PRO  67  -6.332  -5.214  -0.036
  425    H    ARG  68           HN       ARG  68 -11.128  -7.687  -0.332
  426    HA   ARG  68           HA       ARG  68 -12.166  -6.841  -2.924
  427   1HB   ARG  68          HB2       ARG  68 -12.716  -9.560  -1.721
  428   2HB   ARG  68          HB1       ARG  68 -13.569  -8.883  -3.102
  429   1HG   ARG  68          HG2       ARG  68 -11.987  -9.564  -4.493
  430   2HG   ARG  68          HG1       ARG  68 -10.728  -8.787  -3.532
  431   1HD   ARG  68          HD2       ARG  68 -10.497 -11.279  -3.822
  432   2HD   ARG  68          HD1       ARG  68 -10.471 -10.698  -2.158
  433    HE   ARG  68           HE       ARG  68 -13.105 -11.371  -2.817
  434   1HH1  ARG  68          HH11      ARG  68 -10.018 -12.903  -2.324
  435   2HH1  ARG  68          HH12      ARG  68 -10.701 -14.402  -1.790
  436   1HH2  ARG  68          HH21      ARG  68 -14.016 -13.340  -2.114
  437   2HH2  ARG  68          HH22      ARG  68 -12.975 -14.651  -1.671
  438    H    ASN  69           HN       ASN  69 -12.250  -5.797  -0.189
  439    HA   ASN  69           HA       ASN  69 -15.170  -5.837   0.201
  440   1HB   ASN  69          HB2       ASN  69 -12.977  -5.768   2.275
  441   2HB   ASN  69          HB1       ASN  69 -14.645  -5.337   2.639
  442   1HD2  ASN  69          HD21      ASN  69 -12.454  -7.898   1.828
  443   2HD2  ASN  69          HD22      ASN  69 -13.525  -9.205   2.187
  444    HA   PRO  70           HA       PRO  70 -15.196  -1.458  -0.180
  445   1HB   PRO  70          HB2       PRO  70 -16.955  -0.701   1.761
  446   2HB   PRO  70          HB1       PRO  70 -17.449  -1.467   0.247
  447   1HG   PRO  70          HG2       PRO  70 -17.078  -2.687   2.954
  448   2HG   PRO  70          HG1       PRO  70 -18.369  -2.962   1.769
  449   1HD   PRO  70          HD2       PRO  70 -16.311  -4.683   2.086
  450   2HD   PRO  70          HD1       PRO  70 -17.078  -4.402   0.509
  451    H    PHE  71           HN       PHE  71 -14.277   0.410   0.628
  452    HA   PHE  71           HA       PHE  71 -13.337   0.452   3.388
  453   1HB   PHE  71          HB2       PHE  71 -11.447   0.848   1.060
  454   2HB   PHE  71          HB1       PHE  71 -11.038   0.935   2.771
  455    HD1  PHE  71           HD1      PHE  71 -10.972  -1.096  -0.058
  456    HD2  PHE  71           HD2      PHE  71 -11.677  -1.251   4.135
  457    HE1  PHE  71           HE1      PHE  71 -10.456  -3.502  -0.065
  458    HE2  PHE  71           HE2      PHE  71 -11.162  -3.657   4.136
  459    HZ   PHE  71           HZ       PHE  71 -10.550  -4.785   2.034
  460    H    HIS  72           HN       HIS  72 -12.460   2.326   0.495
  461    HA   HIS  72           HA       HIS  72 -12.707   4.814   1.793
  462   1HB   HIS  72          HB2       HIS  72 -11.320   4.486  -0.210
  463   2HB   HIS  72          HB1       HIS  72 -12.767   4.197  -1.170
  464    HD1  HIS  72           HD1      HIS  72 -13.095   6.176  -2.609
  465    HD2  HIS  72           HD2      HIS  72 -11.923   7.242   1.232
  466    HE1  HIS  72           HE1      HIS  72 -13.119   8.690  -2.573
  467    HE2  HIS  72           HE2      HIS  72 -12.508   9.309  -0.208
  468    H    ALA  73           HN       ALA  73 -14.889   3.055  -0.378
  469    HA   ALA  73           HA       ALA  73 -16.921   5.104  -0.188
  470   1HB   ALA  73          HB1       ALA  73 -16.319   3.198  -2.069
  471   2HB   ALA  73          HB2       ALA  73 -17.801   4.152  -2.009
  472   3HB   ALA  73          HB3       ALA  73 -17.761   2.541  -1.294
  Start of MODEL    3
    1   1H    GLU   1           HT1      GLU   1  -3.958   3.398  12.139
    2   2H    GLU   1           HT2      GLU   1  -3.593   3.008  10.509
    3   3H    GLU   1           HT3      GLU   1  -3.945   4.630  10.948
    4    HA   GLU   1           HA       GLU   1  -1.986   4.873  12.106
    5   1HB   GLU   1          HB2       GLU   1  -1.758   1.875  11.793
    6   2HB   GLU   1          HB1       GLU   1  -0.456   2.893  12.395
    7   1HG   GLU   1          HG2       GLU   1  -1.783   3.550  14.292
    8   2HG   GLU   1          HG1       GLU   1  -3.176   2.672  13.663
    9    H    ALA   2           HN       ALA   2  -0.916   2.179  10.151
   10    HA   ALA   2           HA       ALA   2   0.706   3.859   8.524
   11   1HB   ALA   2          HB1       ALA   2   0.488   1.351   7.278
   12   2HB   ALA   2          HB2       ALA   2   0.416   1.050   9.014
   13   3HB   ALA   2          HB3       ALA   2   1.783   1.927   8.327
   14    H    GLY   3           HN       GLY   3  -0.812   5.314   7.583
   15   1HA   GLY   3          HA2       GLY   3  -1.812   4.395   5.046
   16   2HA   GLY   3          HA1       GLY   3  -3.089   4.791   6.186
   17    H    GLU   4           HN       GLU   4  -1.369   6.027   3.666
   18    HA   GLU   4           HA       GLU   4  -1.566   8.147   2.772
   19   1HB   GLU   4          HB2       GLU   4  -2.091   9.295   5.499
   20   2HB   GLU   4          HB1       GLU   4  -2.538   9.946   3.927
   21   1HG   GLU   4          HG2       GLU   4  -3.835   7.504   4.036
   22   2HG   GLU   4          HG1       GLU   4  -3.984   8.148   5.670
   23    H    GLU   5           HN       GLU   5   0.294   7.222   5.489
   24    HA   GLU   5           HA       GLU   5   2.069   9.458   5.533
   25   1HB   GLU   5          HB2       GLU   5   2.505   6.644   6.552
   26   2HB   GLU   5          HB1       GLU   5   3.478   8.050   6.960
   27   1HG   GLU   5          HG2       GLU   5   1.062   8.952   7.687
   28   2HG   GLU   5          HG1       GLU   5   0.826   7.224   7.943
   29    H    CYS   6           HN       CYS   6   4.417   9.255   5.035
   30    HA   CYS   6           HA       CYS   6   6.138   8.872   3.595
   31   1HB   CYS   6          HB2       CYS   6   6.189   6.582   4.024
   32   2HB   CYS   6          HB1       CYS   6   4.598   6.312   3.325
   33    H    ASP   7           HN       ASP   7   6.697   9.057   1.349
   34    HA   ASP   7           HA       ASP   7   4.487   9.342  -0.534
   35   1HB   ASP   7          HB2       ASP   7   6.475  11.580  -0.117
   36   2HB   ASP   7          HB1       ASP   7   5.077  11.581  -1.188
   37    H    CYS   8           HN       CYS   8   5.854   7.305  -1.002
   38    HA   CYS   8           HA       CYS   8   7.895   8.043  -2.996
   39   1HB   CYS   8          HB2       CYS   8   7.959   5.800  -0.985
   40   2HB   CYS   8          HB1       CYS   8   8.947   5.792  -2.437
   41    H    GLY   9           HN       GLY   9   4.915   6.726  -2.508
   42   1HA   GLY   9          HA2       GLY   9   3.854   6.009  -4.672
   43   2HA   GLY   9          HA1       GLY   9   5.185   4.865  -4.789
   44    H    SER  10           HN       SER  10   2.852   3.642  -4.948
   45    HA   SER  10           HA       SER  10   2.676   2.289  -2.408
   46   1HB   SER  10          HB2       SER  10   0.433   3.870  -3.578
   47   2HB   SER  10          HB1       SER  10   0.111   2.485  -2.534
   48    HG   SER  10           HG       SER  10   1.898   3.781  -1.245
   49    HA   PRO  11           HA       PRO  11   0.540  -0.806  -5.149
   50   1HB   PRO  11          HB2       PRO  11  -1.051  -0.110  -7.190
   51   2HB   PRO  11          HB1       PRO  11  -1.606  -0.041  -5.513
   52   1HG   PRO  11          HG2       PRO  11  -0.595   2.178  -7.259
   53   2HG   PRO  11          HG1       PRO  11  -2.019   2.153  -6.201
   54   1HD   PRO  11          HD2       PRO  11   0.347   3.271  -5.456
   55   2HD   PRO  11          HD1       PRO  11  -0.771   2.519  -4.301
   56    H    GLY  12           HN       GLY  12   2.572  -1.369  -5.880
   57   1HA   GLY  12          HA2       GLY  12   3.710  -2.134  -7.862
   58   2HA   GLY  12          HA1       GLY  12   3.097  -0.716  -8.712
   59    H    ASN  13           HN       ASN  13   3.639   0.983  -6.406
   60    HA   ASN  13           HA       ASN  13   6.573   1.153  -6.560
   61   1HB   ASN  13          HB2       ASN  13   4.530   3.389  -6.526
   62   2HB   ASN  13          HB1       ASN  13   6.258   3.640  -6.299
   63   1HD2  ASN  13          HD21      ASN  13   7.404   2.057  -8.120
   64   2HD2  ASN  13          HD22      ASN  13   6.937   2.514  -9.719
   65    HA   PRO  14           HA       PRO  14   4.707   0.224  -2.245
   66   1HB   PRO  14          HB2       PRO  14   7.205  -1.092  -1.796
   67   2HB   PRO  14          HB1       PRO  14   5.619  -1.832  -2.028
   68   1HG   PRO  14          HG2       PRO  14   7.773  -1.307  -4.016
   69   2HG   PRO  14          HG1       PRO  14   6.636  -2.663  -3.928
   70   1HD   PRO  14          HD2       PRO  14   6.267  -0.778  -5.734
   71   2HD   PRO  14          HD1       PRO  14   4.868  -1.372  -4.805
   72    H    CYS  15           HN       CYS  15   4.805   2.208  -1.402
   73    HA   CYS  15           HA       CYS  15   6.064   4.295  -1.120
   74   1HB   CYS  15          HB2       CYS  15   4.818   3.912   0.789
   75   2HB   CYS  15          HB1       CYS  15   5.692   2.448   1.198
   76    H    CYS  16           HN       CYS  16   7.960   4.122  -2.400
   77    HA   CYS  16           HA       CYS  16  10.196   4.471  -2.581
   78   1HB   CYS  16          HB2       CYS  16   9.772   4.533   0.265
   79   2HB   CYS  16          HB1       CYS  16  11.313   3.765  -0.101
   80    H    ASP  17           HN       ASP  17  11.486   3.172  -3.625
   81    HA   ASP  17           HA       ASP  17  11.968   0.470  -2.616
   82   1HB   ASP  17          HB2       ASP  17  11.601  -0.489  -4.860
   83   2HB   ASP  17          HB1       ASP  17  10.137   0.217  -4.181
   84    H    ALA  18           HN       ALA  18  13.067   3.232  -4.412
   85    HA   ALA  18           HA       ALA  18  15.232   3.878  -4.826
   86   1HB   ALA  18          HB1       ALA  18  16.221   1.088  -4.374
   87   2HB   ALA  18          HB2       ALA  18  15.800   2.129  -3.014
   88   3HB   ALA  18          HB3       ALA  18  17.062   2.620  -4.144
   89    H    ALA  19           HN       ALA  19  14.170   0.747  -6.021
   90    HA   ALA  19           HA       ALA  19  14.396   1.508  -8.732
   91   1HB   ALA  19          HB1       ALA  19  16.794   0.664  -7.602
   92   2HB   ALA  19          HB2       ALA  19  16.425   0.818  -9.320
   93   3HB   ALA  19          HB3       ALA  19  16.202  -0.731  -8.505
   94    H    THR  20           HN       THR  20  14.105  -1.015  -6.308
   95    HA   THR  20           HA       THR  20  12.001  -2.258  -7.900
   96    HB   THR  20           HB       THR  20  14.326  -3.404  -8.209
   97    HG1  THR  20           HG1      THR  20  12.000  -4.225  -8.534
   98   1HG2  THR  20          HG21      THR  20  13.526  -4.869  -5.731
   99   2HG2  THR  20          HG22      THR  20  14.654  -3.515  -5.667
  100   3HG2  THR  20          HG23      THR  20  15.041  -4.940  -6.632
  101    H    CYS  21           HN       CYS  21  10.286  -2.443  -6.663
  102    HA   CYS  21           HA       CYS  21   9.536  -1.720  -4.361
  103   1HB   CYS  21          HB2       CYS  21   9.149  -4.621  -5.118
  104   2HB   CYS  21          HB1       CYS  21   8.166  -3.735  -3.958
  105    H    LYS  22           HN       LYS  22  11.471  -1.339  -3.112
  106    HA   LYS  22           HA       LYS  22  11.692  -3.086  -0.900
  107   1HB   LYS  22          HB2       LYS  22  13.779  -4.066  -1.163
  108   2HB   LYS  22          HB1       LYS  22  13.110  -4.185  -2.785
  109   1HG   LYS  22          HG2       LYS  22  14.354  -2.134  -3.399
  110   2HG   LYS  22          HG1       LYS  22  15.094  -2.148  -1.797
  111   1HD   LYS  22          HD2       LYS  22  15.863  -4.513  -2.352
  112   2HD   LYS  22          HD1       LYS  22  15.407  -4.151  -4.018
  113   1HE   LYS  22          HE2       LYS  22  17.344  -2.524  -2.377
  114   2HE   LYS  22          HE1       LYS  22  17.813  -3.769  -3.535
  115   1HZ   LYS  22          HZ1       LYS  22  16.228  -2.266  -5.047
  116   2HZ   LYS  22          HZ2       LYS  22  17.896  -2.016  -4.920
  117   3HZ   LYS  22          HZ3       LYS  22  16.830  -1.077  -4.003
  118    H    LEU  23           HN       LEU  23  11.881  -1.688   0.716
  119    HA   LEU  23           HA       LEU  23  13.660   0.631   0.358
  120   1HB   LEU  23          HB2       LEU  23  12.036   1.770   1.998
  121   2HB   LEU  23          HB1       LEU  23  11.569   1.624   0.316
  122    HG   LEU  23           HG       LEU  23  10.665  -0.364   2.384
  123   1HD1  LEU  23          HD11      LEU  23   8.497   1.212   1.930
  124   2HD1  LEU  23          HD12      LEU  23   9.799   2.400   1.977
  125   3HD1  LEU  23          HD13      LEU  23   9.545   1.317   3.343
  126   1HD2  LEU  23          HD21      LEU  23  10.505  -0.381  -0.352
  127   2HD2  LEU  23          HD22      LEU  23   8.954   0.307   0.117
  128   3HD2  LEU  23          HD23      LEU  23   9.443  -1.268   0.741
  129    H    ARG  24           HN       ARG  24  14.389   1.589   2.447
  130    HA   ARG  24           HA       ARG  24  15.456  -0.475   4.118
  131   1HB   ARG  24          HB2       ARG  24  15.609   2.462   4.732
  132   2HB   ARG  24          HB1       ARG  24  16.771   1.199   5.116
  133   1HG   ARG  24          HG2       ARG  24  16.662   1.138   2.366
  134   2HG   ARG  24          HG1       ARG  24  16.531   2.856   2.744
  135   1HD   ARG  24          HD2       ARG  24  18.509   2.083   4.441
  136   2HD   ARG  24          HD1       ARG  24  18.795   1.013   3.069
  137    HE   ARG  24           HE       ARG  24  19.409   2.839   1.797
  138   1HH1  ARG  24          HH11      ARG  24  18.057   3.888   4.830
  139   2HH1  ARG  24          HH12      ARG  24  18.561   5.534   4.634
  140   1HH2  ARG  24          HH21      ARG  24  20.078   5.002   1.529
  141   2HH2  ARG  24          HH22      ARG  24  19.709   6.167   2.756
  142    H    GLN  25           HN       GLN  25  12.587   1.261   4.118
  143    HA   GLN  25           HA       GLN  25  12.197   0.868   7.003
  144   1HB   GLN  25          HB2       GLN  25  10.979   2.766   5.029
  145   2HB   GLN  25          HB1       GLN  25  10.127   2.367   6.515
  146   1HG   GLN  25          HG2       GLN  25  12.799   3.704   6.222
  147   2HG   GLN  25          HG1       GLN  25  11.318   4.371   6.905
  148   1HE2  GLN  25          HE21      GLN  25  13.913   2.074   7.397
  149   2HE2  GLN  25          HE22      GLN  25  13.741   1.954   9.112
  150    H    GLY  26           HN       GLY  26   9.347   1.305   5.188
  151   1HA   GLY  26          HA2       GLY  26   8.867  -1.421   4.509
  152   2HA   GLY  26          HA1       GLY  26   8.108  -1.003   6.037
  153    H    ALA  27           HN       ALA  27   7.957  -0.755   2.618
  154    HA   ALA  27           HA       ALA  27   5.912   1.257   2.557
  155   1HB   ALA  27          HB1       ALA  27   7.169   1.333   0.629
  156   2HB   ALA  27          HB2       ALA  27   5.787   0.381   0.094
  157   3HB   ALA  27          HB3       ALA  27   7.299  -0.421   0.518
  158    H    GLN  28           HN       GLN  28   5.692  -1.620   3.830
  159    HA   GLN  28           HA       GLN  28   3.677  -3.000   2.460
  160   1HB   GLN  28          HB2       GLN  28   3.757  -3.041   5.437
  161   2HB   GLN  28          HB1       GLN  28   3.513  -4.359   4.310
  162   1HG   GLN  28          HG2       GLN  28   5.603  -4.920   4.622
  163   2HG   GLN  28          HG1       GLN  28   6.069  -3.444   3.777
  164   1HE2  GLN  28          HE21      GLN  28   7.666  -4.619   5.715
  165   2HE2  GLN  28          HE22      GLN  28   7.741  -3.577   7.091
  166    H    CYS  29           HN       CYS  29   1.961  -1.816   1.796
  167    HA   CYS  29           HA       CYS  29  -0.027  -0.696   1.910
  168   1HB   CYS  29          HB2       CYS  29   0.065  -1.711   4.762
  169   2HB   CYS  29          HB1       CYS  29  -1.338  -0.942   4.030
  170    H    ALA  30           HN       ALA  30   2.325   0.704   2.189
  171    HA   ALA  30           HA       ALA  30   2.311   2.510   4.398
  172   1HB   ALA  30          HB1       ALA  30   3.974   3.777   3.126
  173   2HB   ALA  30          HB2       ALA  30   3.619   2.808   1.696
  174   3HB   ALA  30          HB3       ALA  30   4.336   2.052   3.117
  175    H    GLU  31           HN       GLU  31   2.701   4.846   2.287
  176    HA   GLU  31           HA       GLU  31   0.409   6.271   2.714
  177   1HB   GLU  31          HB2       GLU  31   2.542   6.906   1.346
  178   2HB   GLU  31          HB1       GLU  31   1.656   6.270  -0.031
  179   1HG   GLU  31          HG2       GLU  31  -0.122   7.991   1.256
  180   2HG   GLU  31          HG1       GLU  31   1.434   8.821   1.269
  181    H    GLY  32           HN       GLY  32   1.030   3.652   0.593
  182   1HA   GLY  32          HA2       GLY  32  -1.785   3.139   0.233
  183   2HA   GLY  32          HA1       GLY  32  -0.870   3.415  -1.245
  184    H    LEU  33           HN       LEU  33  -1.136   1.254  -1.964
  185    HA   LEU  33           HA       LEU  33  -0.371  -0.903  -0.259
  186   1HB   LEU  33          HB2       LEU  33  -1.933  -0.719  -2.448
  187   2HB   LEU  33          HB1       LEU  33  -0.473  -1.363  -3.171
  188    HG   LEU  33           HG       LEU  33  -2.474  -2.860  -2.116
  189   1HD1  LEU  33          HD11      LEU  33  -0.264  -4.473  -1.860
  190   2HD1  LEU  33          HD12      LEU  33   0.255  -3.227  -2.996
  191   3HD1  LEU  33          HD13      LEU  33  -1.187  -4.181  -3.334
  192   1HD2  LEU  33          HD21      LEU  33  -1.838  -2.067   0.179
  193   2HD2  LEU  33          HD22      LEU  33  -0.297  -2.897  -0.033
  194   3HD2  LEU  33          HD23      LEU  33  -1.801  -3.818  -0.037
  195    H    CYS  34           HN       CYS  34   1.117  -2.651  -1.441
  196    HA   CYS  34           HA       CYS  34   3.642  -1.424  -2.289
  197   1HB   CYS  34          HB2       CYS  34   4.413  -1.856  -0.202
  198   2HB   CYS  34          HB1       CYS  34   3.103  -2.966   0.152
  199    H    CYS  35           HN       CYS  35   5.212  -3.304  -3.037
  200    HA   CYS  35           HA       CYS  35   3.580  -5.280  -4.403
  201   1HB   CYS  35          HB2       CYS  35   4.047  -4.456  -6.426
  202   2HB   CYS  35          HB1       CYS  35   4.856  -3.108  -5.641
  203    H    ASP  36           HN       ASP  36   6.512  -4.686  -2.717
  204    HA   ASP  36           HA       ASP  36   7.027  -7.523  -2.841
  205   1HB   ASP  36          HB2       ASP  36   8.198  -6.195  -4.793
  206   2HB   ASP  36          HB1       ASP  36   9.394  -5.872  -3.544
  207    H    GLN  37           HN       GLN  37   9.921  -6.909  -2.078
  208    HA   GLN  37           HA       GLN  37  10.453  -7.582   0.248
  209   1HB   GLN  37          HB2       GLN  37  11.166  -4.855  -0.765
  210   2HB   GLN  37          HB1       GLN  37  11.755  -5.411   0.796
  211   1HG   GLN  37          HG2       GLN  37  12.177  -7.388  -1.269
  212   2HG   GLN  37          HG1       GLN  37  12.920  -5.843  -1.678
  213   1HE2  GLN  37          HE21      GLN  37  12.812  -8.443   0.655
  214   2HE2  GLN  37          HE22      GLN  37  14.339  -8.108   1.390
  215    H    CYS  38           HN       CYS  38   9.043  -4.307   0.138
  216    HA   CYS  38           HA       CYS  38   8.663  -3.649   2.671
  217   1HB   CYS  38          HB2       CYS  38   6.092  -3.194   1.791
  218   2HB   CYS  38          HB1       CYS  38   7.462  -2.124   1.536
  219    H    ARG  39           HN       ARG  39   6.059  -5.503   1.126
  220    HA   ARG  39           HA       ARG  39   5.160  -7.546   1.909
  221   1HB   ARG  39          HB2       ARG  39   6.921  -7.405   3.867
  222   2HB   ARG  39          HB1       ARG  39   5.559  -6.755   4.769
  223   1HG   ARG  39          HG2       ARG  39   4.442  -8.952   3.636
  224   2HG   ARG  39          HG1       ARG  39   6.106  -9.488   3.874
  225   1HD   ARG  39          HD2       ARG  39   5.574  -8.250   6.244
  226   2HD   ARG  39          HD1       ARG  39   4.001  -8.936   5.837
  227    HE   ARG  39           HE       ARG  39   4.857 -10.927   6.514
  228   1HH1  ARG  39          HH11      ARG  39   7.458  -9.031   5.183
  229   2HH1  ARG  39          HH12      ARG  39   8.654 -10.258   5.434
  230   1HH2  ARG  39          HH21      ARG  39   6.425 -12.549   6.851
  231   2HH2  ARG  39          HH22      ARG  39   8.067 -12.258   6.382
  232    H    PHE  40           HN       PHE  40   3.376  -7.536   4.207
  233    HA   PHE  40           HA       PHE  40   1.879  -5.076   4.063
  234   1HB   PHE  40          HB2       PHE  40   0.500  -7.511   2.971
  235   2HB   PHE  40          HB1       PHE  40  -0.016  -5.825   2.888
  236    HD1  PHE  40           HD1      PHE  40   2.338  -8.314   1.551
  237    HD2  PHE  40           HD2      PHE  40   0.846  -4.343   1.234
  238    HE1  PHE  40           HE1      PHE  40   3.528  -8.037  -0.566
  239    HE2  PHE  40           HE2      PHE  40   2.022  -4.075  -0.885
  240    HZ   PHE  40           HZ       PHE  40   3.369  -5.912  -1.797
  241    H    MET  41           HN       MET  41   0.200  -4.897   5.511
  242    HA   MET  41           HA       MET  41   0.514  -6.120   7.961
  243   1HB   MET  41          HB2       MET  41  -1.455  -4.335   6.709
  244   2HB   MET  41          HB1       MET  41  -2.091  -5.287   8.043
  245   1HG   MET  41          HG2       MET  41   0.495  -3.892   8.444
  246   2HG   MET  41          HG1       MET  41  -0.976  -2.922   8.406
  247   1HE   MET  41          HE1       MET  41   0.962  -3.851  11.689
  248   2HE   MET  41          HE2       MET  41  -0.328  -2.664  11.881
  249   3HE   MET  41          HE3       MET  41   0.710  -2.615  10.456
  250    H    LYS  42           HN       LYS  42  -2.705  -6.353   6.650
  251    HA   LYS  42           HA       LYS  42  -3.321  -8.677   5.748
  252   1HB   LYS  42          HB2       LYS  42  -1.849  -9.985   7.091
  253   2HB   LYS  42          HB1       LYS  42  -2.408  -9.217   8.570
  254   1HG   LYS  42          HG2       LYS  42  -3.310 -11.432   8.446
  255   2HG   LYS  42          HG1       LYS  42  -4.620 -10.269   8.231
  256   1HD   LYS  42          HD2       LYS  42  -5.144 -11.578   6.470
  257   2HD   LYS  42          HD1       LYS  42  -3.877 -10.652   5.662
  258   1HE   LYS  42          HE2       LYS  42  -3.092 -13.071   7.202
  259   2HE   LYS  42          HE1       LYS  42  -3.896 -13.298   5.649
  260   1HZ   LYS  42          HZ1       LYS  42  -2.150 -12.421   4.510
  261   2HZ   LYS  42          HZ2       LYS  42  -1.303 -13.067   5.824
  262   3HZ   LYS  42          HZ3       LYS  42  -1.659 -11.414   5.779
  263    H    GLU  43           HN       GLU  43  -3.807  -6.467   8.272
  264    HA   GLU  43           HA       GLU  43  -6.699  -7.022   8.276
  265   1HB   GLU  43          HB2       GLU  43  -5.756  -7.493  10.470
  266   2HB   GLU  43          HB1       GLU  43  -4.984  -5.913  10.507
  267   1HG   GLU  43          HG2       GLU  43  -7.762  -5.537  10.055
  268   2HG   GLU  43          HG1       GLU  43  -7.560  -6.644  11.413
  269    H    GLY  44           HN       GLY  44  -7.945  -5.449   7.534
  270   1HA   GLY  44          HA2       GLY  44  -7.712  -3.456   6.028
  271   2HA   GLY  44          HA1       GLY  44  -8.622  -3.133   7.490
  272    H    THR  45           HN       THR  45  -5.391  -2.971   6.059
  273    HA   THR  45           HA       THR  45  -4.676  -0.913   7.999
  274    HB   THR  45           HB       THR  45  -2.930  -2.069   5.847
  275    HG1  THR  45           HG1      THR  45  -3.923  -3.564   7.518
  276   1HG2  THR  45          HG21      THR  45  -1.959  -1.151   8.489
  277   2HG2  THR  45          HG22      THR  45  -2.339   0.051   7.255
  278   3HG2  THR  45          HG23      THR  45  -1.134  -1.196   6.931
  279    H    ILE  46           HN       ILE  46  -3.856  -1.144   4.591
  280    HA   ILE  46           HA       ILE  46  -5.460   0.942   3.677
  281    HB   ILE  46           HB       ILE  46  -3.128   1.872   5.081
  282   1HG1  ILE  46          HG12      ILE  46  -4.413   4.062   4.000
  283   2HG1  ILE  46          HG11      ILE  46  -5.676   2.838   4.027
  284   1HG2  ILE  46          HG21      ILE  46  -3.149   2.402   2.133
  285   2HG2  ILE  46          HG22      ILE  46  -1.796   1.961   3.174
  286   3HG2  ILE  46          HG23      ILE  46  -2.489   3.580   3.268
  287   1HD1  ILE  46          HD11      ILE  46  -4.145   2.980   6.501
  288   2HD1  ILE  46          HD12      ILE  46  -5.889   2.955   6.238
  289   3HD1  ILE  46          HD13      ILE  46  -4.998   4.471   6.101
  290    H    CYS  47           HN       CYS  47  -5.771  -0.223   1.897
  291    HA   CYS  47           HA       CYS  47  -3.522  -1.188   0.320
  292   1HB   CYS  47          HB2       CYS  47  -5.774  -2.419   0.864
  293   2HB   CYS  47          HB1       CYS  47  -6.350  -1.521  -0.537
  294    H    ARG  48           HN       ARG  48  -4.875   1.688   0.595
  295    HA   ARG  48           HA       ARG  48  -5.921   3.012  -1.248
  296   1HB   ARG  48          HB2       ARG  48  -2.969   3.531  -1.048
  297   2HB   ARG  48          HB1       ARG  48  -4.235   4.693  -1.400
  298   1HG   ARG  48          HG2       ARG  48  -4.830   3.472   1.093
  299   2HG   ARG  48          HG1       ARG  48  -3.145   3.991   1.113
  300   1HD   ARG  48          HD2       ARG  48  -5.563   5.680   0.494
  301   2HD   ARG  48          HD1       ARG  48  -4.530   5.786   1.918
  302    HE   ARG  48           HE       ARG  48  -2.881   6.173  -0.262
  303   1HH1  ARG  48          HH11      ARG  48  -5.667   7.723   1.139
  304   2HH1  ARG  48          HH12      ARG  48  -5.229   9.304   0.581
  305   1HH2  ARG  48          HH21      ARG  48  -2.295   8.250  -1.001
  306   2HH2  ARG  48          HH22      ARG  48  -3.312   9.603  -0.636
  307    H    ARG  49           HN       ARG  49  -6.538   2.153  -3.149
  308    HA   ARG  49           HA       ARG  49  -4.597   2.205  -5.300
  309   1HB   ARG  49          HB2       ARG  49  -5.279  -0.250  -4.053
  310   2HB   ARG  49          HB1       ARG  49  -6.058  -0.234  -5.629
  311   1HG   ARG  49          HG2       ARG  49  -3.481   0.695  -6.105
  312   2HG   ARG  49          HG1       ARG  49  -3.287  -0.625  -4.949
  313   1HD   ARG  49          HD2       ARG  49  -3.290  -1.866  -6.844
  314   2HD   ARG  49          HD1       ARG  49  -5.035  -1.774  -6.607
  315    HE   ARG  49           HE       ARG  49  -4.620   0.364  -8.132
  316   1HH1  ARG  49          HH11      ARG  49  -3.409  -2.888  -8.417
  317   2HH1  ARG  49          HH12      ARG  49  -3.301  -2.835 -10.145
  318   1HH2  ARG  49          HH21      ARG  49  -4.483   0.445 -10.408
  319   2HH2  ARG  49          HH22      ARG  49  -3.911  -0.940 -11.277
  320    H    ALA  50           HN       ALA  50  -7.220   3.443  -4.354
  321    HA   ALA  50           HA       ALA  50  -9.103   2.698  -6.415
  322   1HB   ALA  50          HB1       ALA  50  -9.418   3.734  -3.934
  323   2HB   ALA  50          HB2       ALA  50 -10.642   3.802  -5.202
  324   3HB   ALA  50          HB3       ALA  50  -9.583   5.185  -4.924
  325    H    ARG  51           HN       ARG  51 -10.194   5.147  -7.116
  326    HA   ARG  51           HA       ARG  51  -8.022   6.616  -8.420
  327   1HB   ARG  51          HB2       ARG  51  -9.752   6.646 -10.450
  328   2HB   ARG  51          HB1       ARG  51  -8.519   5.404 -10.283
  329   1HG   ARG  51          HG2       ARG  51 -10.188   3.950  -9.182
  330   2HG   ARG  51          HG1       ARG  51 -11.413   5.185  -9.482
  331   1HD   ARG  51          HD2       ARG  51 -11.113   4.968 -11.864
  332   2HD   ARG  51          HD1       ARG  51  -9.768   3.853 -11.630
  333    HE   ARG  51           HE       ARG  51 -12.240   2.970 -10.450
  334   1HH1  ARG  51          HH11      ARG  51 -10.284   3.020 -13.330
  335   2HH1  ARG  51          HH12      ARG  51 -11.011   1.600 -14.006
  336   1HH2  ARG  51          HH21      ARG  51 -13.205   1.099 -11.330
  337   2HH2  ARG  51          HH22      ARG  51 -12.672   0.508 -12.869
  338    H    GLY  52           HN       GLY  52 -11.310   7.059  -9.443
  339   1HA   GLY  52          HA2       GLY  52 -12.485   9.071  -9.451
  340   2HA   GLY  52          HA1       GLY  52 -12.573   8.661  -7.745
  341    H    ASP  53           HN       ASP  53 -12.152  10.355  -6.518
  342    HA   ASP  53           HA       ASP  53  -9.956  12.152  -7.310
  343   1HB   ASP  53          HB2       ASP  53 -12.749  12.768  -6.725
  344   2HB   ASP  53          HB1       ASP  53 -11.631  13.699  -5.732
  345    H    ASP  54           HN       ASP  54 -10.012   9.804  -5.540
  346    HA   ASP  54           HA       ASP  54  -8.960  11.112  -3.133
  347   1HB   ASP  54          HB2       ASP  54 -11.029   8.947  -3.270
  348   2HB   ASP  54          HB1       ASP  54  -9.950   9.060  -1.884
  349    H    LEU  55           HN       LEU  55  -9.484   7.733  -4.093
  350    HA   LEU  55           HA       LEU  55  -7.970   6.119  -4.737
  351   1HB   LEU  55          HB2       LEU  55  -5.694   7.958  -4.090
  352   2HB   LEU  55          HB1       LEU  55  -5.744   6.629  -5.236
  353    HG   LEU  55           HG       LEU  55  -7.661   8.693  -5.921
  354   1HD1  LEU  55          HD11      LEU  55  -6.470  10.508  -5.454
  355   2HD1  LEU  55          HD12      LEU  55  -5.365   9.990  -6.727
  356   3HD1  LEU  55          HD13      LEU  55  -5.039   9.561  -5.047
  357   1HD2  LEU  55          HD21      LEU  55  -6.427   6.724  -7.220
  358   2HD2  LEU  55          HD22      LEU  55  -5.329   8.045  -7.619
  359   3HD2  LEU  55          HD23      LEU  55  -7.040   8.165  -8.031
  360    H    ASP  56           HN       ASP  56  -8.741   5.086  -2.830
  361    HA   ASP  56           HA       ASP  56  -6.643   4.694  -0.862
  362   1HB   ASP  56          HB2       ASP  56  -9.410   5.663  -0.127
  363   2HB   ASP  56          HB1       ASP  56  -8.298   4.934   1.028
  364    H    ASP  57           HN       ASP  57  -7.522   2.998   0.822
  365    HA   ASP  57           HA       ASP  57  -9.516   1.179   0.280
  366   1HB   ASP  57          HB2       ASP  57  -8.226   0.871  -1.885
  367   2HB   ASP  57          HB1       ASP  57  -6.922   0.198  -0.920
  368    H    TYR  58           HN       TYR  58  -9.105  -0.979   1.387
  369    HA   TYR  58           HA       TYR  58  -7.275  -0.545   3.649
  370   1HB   TYR  58          HB2       TYR  58  -9.957  -1.862   3.465
  371   2HB   TYR  58          HB1       TYR  58  -8.835  -2.335   4.739
  372    HD1  TYR  58           HD1      TYR  58  -9.358  -1.367   6.760
  373    HD2  TYR  58           HD2      TYR  58  -9.854   0.925   3.211
  374    HE1  TYR  58           HE1      TYR  58 -10.070   0.561   8.111
  375    HE2  TYR  58           HE2      TYR  58 -10.569   2.859   4.551
  376    HH   TYR  58           HH       TYR  58 -11.169   2.598   7.979
  377    H    CYS  59           HN       CYS  59  -6.041  -2.216   4.458
  378    HA   CYS  59           HA       CYS  59  -5.352  -4.279   2.506
  379   1HB   CYS  59          HB2       CYS  59  -3.976  -2.974   4.798
  380   2HB   CYS  59          HB1       CYS  59  -3.411  -4.540   4.257
  381    H    ASN  60           HN       ASN  60  -5.964  -6.322   2.765
  382    HA   ASN  60           HA       ASN  60  -6.388  -7.393   5.454
  383   1HB   ASN  60          HB2       ASN  60  -8.267  -8.128   3.227
  384   2HB   ASN  60          HB1       ASN  60  -8.486  -8.328   4.963
  385   1HD2  ASN  60          HD21      ASN  60  -7.621  -5.728   5.696
  386   2HD2  ASN  60          HD22      ASN  60  -8.828  -4.607   5.181
  387    H    GLY  61           HN       GLY  61  -6.867  -8.641   2.213
  388   1HA   GLY  61          HA2       GLY  61  -4.929 -10.788   2.780
  389   2HA   GLY  61          HA1       GLY  61  -6.163 -10.833   1.515
  390    H    ILE  62           HN       ILE  62  -4.314  -8.046   2.255
  391    HA   ILE  62           HA       ILE  62  -3.474  -7.631  -0.407
  392    HB   ILE  62           HB       ILE  62  -2.216  -5.691   0.667
  393   1HG1  ILE  62          HG12      ILE  62  -2.367  -5.244   2.896
  394   2HG1  ILE  62          HG11      ILE  62  -3.957  -5.964   3.046
  395   1HG2  ILE  62          HG21      ILE  62  -5.185  -5.936   1.117
  396   2HG2  ILE  62          HG22      ILE  62  -4.411  -5.533  -0.415
  397   3HG2  ILE  62          HG23      ILE  62  -4.274  -4.436   0.961
  398   1HD1  ILE  62          HD11      ILE  62  -2.875  -7.469   4.278
  399   2HD1  ILE  62          HD12      ILE  62  -1.310  -7.075   3.577
  400   3HD1  ILE  62          HD13      ILE  62  -2.397  -8.168   2.739
  401    H    SER  63           HN       SER  63  -2.047  -9.251  -1.065
  402    HA   SER  63           HA       SER  63   0.511  -9.392   0.369
  403   1HB   SER  63          HB2       SER  63   0.954 -11.413  -0.856
  404   2HB   SER  63          HB1       SER  63  -0.669 -11.526  -0.177
  405    HG   SER  63           HG       SER  63  -1.454 -10.860  -2.254
  406    H    ALA  64           HN       ALA  64  -0.468  -7.206  -1.267
  407    HA   ALA  64           HA       ALA  64   1.073  -5.697  -2.319
  408   1HB   ALA  64          HB1       ALA  64   2.821  -7.269  -2.820
  409   2HB   ALA  64          HB2       ALA  64   2.335  -6.433  -4.290
  410   3HB   ALA  64          HB3       ALA  64   1.794  -8.076  -3.999
  411    H    GLY  65           HN       GLY  65  -1.678  -7.041  -2.672
  412   1HA   GLY  65          HA2       GLY  65  -2.302  -5.700  -5.226
  413   2HA   GLY  65          HA1       GLY  65  -3.073  -7.211  -4.748
  414    H    CYS  66           HN       CYS  66  -5.073  -6.899  -4.041
  415    HA   CYS  66           HA       CYS  66  -5.685  -5.245  -1.854
  416   1HB   CYS  66          HB2       CYS  66  -6.365  -4.157  -4.561
  417   2HB   CYS  66          HB1       CYS  66  -7.446  -3.852  -3.209
  418    HA   PRO  67           HA       PRO  67  -8.809  -8.306  -1.450
  419   1HB   PRO  67          HB2       PRO  67 -10.578  -6.760   0.040
  420   2HB   PRO  67          HB1       PRO  67  -9.233  -7.693   0.700
  421   1HG   PRO  67          HG2       PRO  67  -9.376  -4.781   0.038
  422   2HG   PRO  67          HG1       PRO  67  -8.601  -5.582   1.419
  423   1HD   PRO  67          HD2       PRO  67  -7.151  -4.689  -0.632
  424   2HD   PRO  67          HD1       PRO  67  -6.753  -6.228   0.163
  425    H    ARG  68           HN       ARG  68 -11.498  -7.913  -1.254
  426    HA   ARG  68           HA       ARG  68 -12.275  -6.402  -3.648
  427   1HB   ARG  68          HB2       ARG  68 -13.232  -9.209  -3.072
  428   2HB   ARG  68          HB1       ARG  68 -13.604  -8.233  -4.486
  429   1HG   ARG  68          HG2       ARG  68 -11.727  -8.830  -5.525
  430   2HG   ARG  68          HG1       ARG  68 -10.746  -8.597  -4.078
  431   1HD   ARG  68          HD2       ARG  68 -10.697 -10.924  -4.813
  432   2HD   ARG  68          HD1       ARG  68 -11.461 -10.769  -3.231
  433    HE   ARG  68           HE       ARG  68 -13.393 -11.580  -4.138
  434   1HH1  ARG  68          HH11      ARG  68 -11.327 -10.468  -6.710
  435   2HH1  ARG  68          HH12      ARG  68 -12.351 -11.072  -7.970
  436   1HH2  ARG  68          HH21      ARG  68 -14.750 -12.381  -5.787
  437   2HH2  ARG  68          HH22      ARG  68 -14.298 -12.159  -7.445
  438    H    ASN  69           HN       ASN  69 -12.936  -4.970  -1.815
  439    HA   ASN  69           HA       ASN  69 -15.736  -5.443  -1.223
  440   1HB   ASN  69          HB2       ASN  69 -13.869  -4.782   1.054
  441   2HB   ASN  69          HB1       ASN  69 -15.575  -5.211   1.143
  442   1HD2  ASN  69          HD21      ASN  69 -16.091  -7.261   1.483
  443   2HD2  ASN  69          HD22      ASN  69 -15.000  -8.598   1.398
  444    HA   PRO  70           HA       PRO  70 -16.188  -1.103  -1.697
  445   1HB   PRO  70          HB2       PRO  70 -17.723  -0.928   0.820
  446   2HB   PRO  70          HB1       PRO  70 -18.232  -0.573  -0.833
  447   1HG   PRO  70          HG2       PRO  70 -19.103  -2.754   0.455
  448   2HG   PRO  70          HG1       PRO  70 -18.763  -2.777  -1.285
  449   1HD   PRO  70          HD2       PRO  70 -17.110  -3.818   0.984
  450   2HD   PRO  70          HD1       PRO  70 -17.405  -4.532  -0.616
  451    H    PHE  71           HN       PHE  71 -14.222  -0.149  -1.368
  452    HA   PHE  71           HA       PHE  71 -13.572   0.640   1.397
  453   1HB   PHE  71          HB2       PHE  71 -11.619   0.374  -0.896
  454   2HB   PHE  71          HB1       PHE  71 -11.238   0.649   0.800
  455    HD1  PHE  71           HD1      PHE  71 -12.117  -1.202   2.444
  456    HD2  PHE  71           HD2      PHE  71 -11.483  -1.763  -1.726
  457    HE1  PHE  71           HE1      PHE  71 -11.931  -3.629   2.803
  458    HE2  PHE  71           HE2      PHE  71 -11.295  -4.191  -1.375
  459    HZ   PHE  71           HZ       PHE  71 -11.520  -5.127   0.892
  460    H    HIS  72           HN       HIS  72 -11.472   2.445   0.429
  461    HA   HIS  72           HA       HIS  72 -11.211   4.650  -0.056
  462   1HB   HIS  72          HB2       HIS  72 -11.556   4.230  -2.328
  463   2HB   HIS  72          HB1       HIS  72 -13.246   3.798  -2.092
  464    HD1  HIS  72           HD1      HIS  72 -12.033   6.968  -0.579
  465    HD2  HIS  72           HD2      HIS  72 -13.987   5.722  -4.028
  466    HE1  HIS  72           HE1      HIS  72 -12.941   9.063  -1.632
  467    HE2  HIS  72           HE2      HIS  72 -14.033   8.295  -3.768
  468    H    ALA  73           HN       ALA  73 -14.696   4.516  -0.692
  469    HA   ALA  73           HA       ALA  73 -16.360   5.903   0.081
  470   1HB   ALA  73          HB1       ALA  73 -16.246   3.991   1.681
  471   2HB   ALA  73          HB2       ALA  73 -16.931   5.468   2.362
  472   3HB   ALA  73          HB3       ALA  73 -15.272   5.007   2.743
  Start of MODEL    4
    1   1H    GLU   1           HT1      GLU   1  -5.052   3.759  12.123
    2   2H    GLU   1           HT2      GLU   1  -4.299   3.727  10.581
    3   3H    GLU   1           HT3      GLU   1  -5.937   3.246  10.748
    4    HA   GLU   1           HA       GLU   1  -6.544   5.449  11.394
    5   1HB   GLU   1          HB2       GLU   1  -3.871   5.661  12.019
    6   2HB   GLU   1          HB1       GLU   1  -3.990   6.621  10.551
    7   1HG   GLU   1          HG2       GLU   1  -5.758   7.961  11.562
    8   2HG   GLU   1          HG1       GLU   1  -5.652   6.994  13.033
    9    H    ALA   2           HN       ALA   2  -6.107   7.485   9.715
   10    HA   ALA   2           HA       ALA   2  -6.964   6.411   7.187
   11   1HB   ALA   2          HB1       ALA   2  -6.372   9.305   7.510
   12   2HB   ALA   2          HB2       ALA   2  -7.683   8.611   8.464
   13   3HB   ALA   2          HB3       ALA   2  -7.723   8.508   6.704
   14    H    GLY   3           HN       GLY   3  -5.808   8.637   5.629
   15   1HA   GLY   3          HA2       GLY   3  -3.816   7.526   4.244
   16   2HA   GLY   3          HA1       GLY   3  -3.829   9.252   4.571
   17    H    GLU   4           HN       GLU   4  -2.240   6.273   5.136
   18    HA   GLU   4           HA       GLU   4  -0.833   6.960   7.501
   19   1HB   GLU   4          HB2       GLU   4  -0.438   4.915   5.343
   20   2HB   GLU   4          HB1       GLU   4   0.797   5.154   6.571
   21   1HG   GLU   4          HG2       GLU   4  -0.843   4.667   8.315
   22   2HG   GLU   4          HG1       GLU   4  -2.077   4.420   7.080
   23    H    GLU   5           HN       GLU   5   1.680   6.954   7.416
   24    HA   GLU   5           HA       GLU   5   2.471   9.349   6.100
   25   1HB   GLU   5          HB2       GLU   5   4.271   7.309   7.412
   26   2HB   GLU   5          HB1       GLU   5   4.607   9.015   7.152
   27   1HG   GLU   5          HG2       GLU   5   2.271   8.196   8.817
   28   2HG   GLU   5          HG1       GLU   5   3.896   8.173   9.498
   29    H    CYS   6           HN       CYS   6   5.259   8.048   5.618
   30    HA   CYS   6           HA       CYS   6   6.437   7.208   3.871
   31   1HB   CYS   6          HB2       CYS   6   5.383   5.140   3.939
   32   2HB   CYS   6          HB1       CYS   6   3.815   5.807   3.510
   33    H    ASP   7           HN       ASP   7   7.020   7.879   1.817
   34    HA   ASP   7           HA       ASP   7   5.061   9.523   0.369
   35   1HB   ASP   7          HB2       ASP   7   7.808  10.292   1.283
   36   2HB   ASP   7          HB1       ASP   7   7.123  11.025  -0.164
   37    H    CYS   8           HN       CYS   8   7.515   7.130   0.209
   38    HA   CYS   8           HA       CYS   8   8.374   7.549  -2.467
   39   1HB   CYS   8          HB2       CYS   8   8.259   4.986  -0.902
   40   2HB   CYS   8          HB1       CYS   8   9.130   5.234  -2.403
   41    H    GLY   9           HN       GLY   9   5.389   6.586  -1.262
   42   1HA   GLY   9          HA2       GLY   9   3.604   6.287  -2.922
   43   2HA   GLY   9          HA1       GLY   9   4.720   5.254  -3.810
   44    H    SER  10           HN       SER  10   2.865   3.680  -3.619
   45    HA   SER  10           HA       SER  10   3.457   1.867  -1.548
   46   1HB   SER  10          HB2       SER  10   1.059   3.593  -1.216
   47   2HB   SER  10          HB1       SER  10   1.032   1.936  -0.626
   48    HG   SER  10           HG       SER  10   3.303   2.940   0.176
   49    HA   PRO  11           HA       PRO  11  -0.040  -0.248  -3.922
   50   1HB   PRO  11          HB2       PRO  11  -1.828   1.187  -5.307
   51   2HB   PRO  11          HB1       PRO  11  -1.963   0.966  -3.557
   52   1HG   PRO  11          HG2       PRO  11  -0.812   3.291  -5.077
   53   2HG   PRO  11          HG1       PRO  11  -1.985   3.313  -3.746
   54   1HD   PRO  11          HD2       PRO  11   0.642   3.754  -3.328
   55   2HD   PRO  11          HD1       PRO  11  -0.363   2.891  -2.143
   56    H    GLY  12           HN       GLY  12   1.580  -0.992  -5.273
   57   1HA   GLY  12          HA2       GLY  12   2.088  -1.509  -7.538
   58   2HA   GLY  12          HA1       GLY  12   1.496   0.082  -8.005
   59    H    ASN  13           HN       ASN  13   2.910   1.447  -5.896
   60    HA   ASN  13           HA       ASN  13   5.661   1.236  -6.921
   61   1HB   ASN  13          HB2       ASN  13   4.128   3.675  -5.988
   62   2HB   ASN  13          HB1       ASN  13   5.852   3.672  -6.348
   63   1HD2  ASN  13          HD21      ASN  13   2.942   4.452  -7.557
   64   2HD2  ASN  13          HD22      ASN  13   3.269   4.327  -9.249
   65    HA   PRO  14           HA       PRO  14   5.160  -0.379  -2.416
   66   1HB   PRO  14          HB2       PRO  14   7.820  -1.059  -3.637
   67   2HB   PRO  14          HB1       PRO  14   6.855  -1.994  -2.494
   68   1HG   PRO  14          HG2       PRO  14   6.823  -2.398  -5.198
   69   2HG   PRO  14          HG1       PRO  14   5.478  -2.806  -4.123
   70   1HD   PRO  14          HD2       PRO  14   5.536  -0.820  -6.195
   71   2HD   PRO  14          HD1       PRO  14   4.202  -1.202  -5.087
   72    H    CYS  15           HN       CYS  15   5.244   1.520  -1.291
   73    HA   CYS  15           HA       CYS  15   6.529   3.711  -1.139
   74   1HB   CYS  15          HB2       CYS  15   5.326   2.608   0.803
   75   2HB   CYS  15          HB1       CYS  15   6.876   1.906   1.247
   76    H    CYS  16           HN       CYS  16   8.310   3.580  -2.549
   77    HA   CYS  16           HA       CYS  16  10.559   4.144  -2.570
   78   1HB   CYS  16          HB2       CYS  16  10.983   2.182  -0.321
   79   2HB   CYS  16          HB1       CYS  16  12.177   3.280  -0.988
   80    H    ASP  17           HN       ASP  17  11.127   3.430  -4.467
   81    HA   ASP  17           HA       ASP  17  12.247   0.819  -4.792
   82   1HB   ASP  17          HB2       ASP  17  10.618   0.356  -6.767
   83   2HB   ASP  17          HB1       ASP  17  10.114  -0.041  -5.128
   84    H    ALA  18           HN       ALA  18  13.636   2.935  -5.105
   85    HA   ALA  18           HA       ALA  18  13.791   4.678  -7.040
   86   1HB   ALA  18          HB1       ALA  18  16.271   3.758  -7.407
   87   2HB   ALA  18          HB2       ALA  18  15.843   2.857  -5.952
   88   3HB   ALA  18          HB3       ALA  18  15.767   4.619  -5.952
   89    H    ALA  19           HN       ALA  19  13.997   1.210  -7.699
   90    HA   ALA  19           HA       ALA  19  13.948   1.882 -10.562
   91   1HB   ALA  19          HB1       ALA  19  15.406  -0.302  -9.130
   92   2HB   ALA  19          HB2       ALA  19  16.034   0.905 -10.253
   93   3HB   ALA  19          HB3       ALA  19  15.033  -0.419 -10.850
   94    H    THR  20           HN       THR  20  12.751  -0.354  -8.092
   95    HA   THR  20           HA       THR  20  10.279  -0.677  -9.421
   96    HB   THR  20           HB       THR  20  11.084  -3.368  -9.447
   97    HG1  THR  20           HG1      THR  20  13.204  -2.969  -9.633
   98   1HG2  THR  20          HG21      THR  20  10.501  -3.370 -11.691
   99   2HG2  THR  20          HG22      THR  20  10.990  -1.691 -11.920
  100   3HG2  THR  20          HG23      THR  20   9.527  -2.068 -11.008
  101    H    CYS  21           HN       CYS  21   9.026  -2.584  -8.394
  102    HA   CYS  21           HA       CYS  21   8.592  -2.182  -5.774
  103   1HB   CYS  21          HB2       CYS  21   8.424  -4.820  -7.249
  104   2HB   CYS  21          HB1       CYS  21   7.706  -4.538  -5.672
  105    H    LYS  22           HN       LYS  22  10.614  -1.786  -4.683
  106    HA   LYS  22           HA       LYS  22  11.578  -4.014  -3.243
  107   1HB   LYS  22          HB2       LYS  22  12.712  -4.478  -5.384
  108   2HB   LYS  22          HB1       LYS  22  13.501  -2.909  -5.293
  109   1HG   LYS  22          HG2       LYS  22  14.342  -3.805  -2.982
  110   2HG   LYS  22          HG1       LYS  22  13.998  -5.377  -3.707
  111   1HD   LYS  22          HD2       LYS  22  15.343  -4.244  -5.730
  112   2HD   LYS  22          HD1       LYS  22  16.083  -3.387  -4.376
  113   1HE   LYS  22          HE2       LYS  22  16.938  -5.333  -3.446
  114   2HE   LYS  22          HE1       LYS  22  15.787  -6.363  -4.297
  115   1HZ   LYS  22          HZ1       LYS  22  17.014  -5.500  -6.384
  116   2HZ   LYS  22          HZ2       LYS  22  17.725  -6.721  -5.454
  117   3HZ   LYS  22          HZ3       LYS  22  18.259  -5.124  -5.301
  118    H    LEU  23           HN       LEU  23  12.117  -3.245  -1.304
  119    HA   LEU  23           HA       LEU  23  13.804  -0.916  -1.060
  120   1HB   LEU  23          HB2       LEU  23  12.263   0.105   0.683
  121   2HB   LEU  23          HB1       LEU  23  11.840   0.332  -0.998
  122    HG   LEU  23           HG       LEU  23  10.565  -1.962   0.374
  123   1HD1  LEU  23          HD11      LEU  23   8.928   0.229   0.923
  124   2HD1  LEU  23          HD12      LEU  23  10.534   0.676   1.489
  125   3HD1  LEU  23          HD13      LEU  23   9.770  -0.799   2.075
  126   1HD2  LEU  23          HD21      LEU  23   8.794  -1.477  -1.066
  127   2HD2  LEU  23          HD22      LEU  23  10.226  -1.132  -2.031
  128   3HD2  LEU  23          HD23      LEU  23   9.315   0.189  -1.298
  129    H    ARG  24           HN       ARG  24  15.176  -1.116   0.586
  130    HA   ARG  24           HA       ARG  24  15.352  -3.498   2.044
  131   1HB   ARG  24          HB2       ARG  24  16.654  -0.815   2.505
  132   2HB   ARG  24          HB1       ARG  24  17.080  -2.271   3.394
  133   1HG   ARG  24          HG2       ARG  24  17.924  -3.323   1.454
  134   2HG   ARG  24          HG1       ARG  24  17.225  -2.093   0.399
  135   1HD   ARG  24          HD2       ARG  24  19.730  -1.953   0.866
  136   2HD   ARG  24          HD1       ARG  24  18.785  -0.477   1.059
  137    HE   ARG  24           HE       ARG  24  18.933  -1.815   3.528
  138   1HH1  ARG  24          HH11      ARG  24  20.937  -0.034   1.306
  139   2HH1  ARG  24          HH12      ARG  24  22.012   0.543   2.535
  140   1HH2  ARG  24          HH21      ARG  24  20.341  -1.060   5.156
  141   2HH2  ARG  24          HH22      ARG  24  21.674  -0.041   4.724
  142    H    GLN  25           HN       GLN  25  13.389  -0.813   2.546
  143    HA   GLN  25           HA       GLN  25  13.167  -1.197   5.420
  144   1HB   GLN  25          HB2       GLN  25  11.778   0.728   3.556
  145   2HB   GLN  25          HB1       GLN  25  11.547   0.687   5.298
  146   1HG   GLN  25          HG2       GLN  25  13.923   1.197   5.615
  147   2HG   GLN  25          HG1       GLN  25  14.130   1.270   3.865
  148   1HE2  GLN  25          HE21      GLN  25  13.720   3.089   6.549
  149   2HE2  GLN  25          HE22      GLN  25  13.041   4.512   5.844
  150    H    GLY  26           HN       GLY  26  10.233  -0.325   3.931
  151   1HA   GLY  26          HA2       GLY  26   9.137  -2.871   3.408
  152   2HA   GLY  26          HA1       GLY  26   8.773  -2.417   5.065
  153    H    ALA  27           HN       ALA  27   8.207  -1.724   1.699
  154    HA   ALA  27           HA       ALA  27   6.426   0.463   2.210
  155   1HB   ALA  27          HB1       ALA  27   5.807  -0.065  -0.274
  156   2HB   ALA  27          HB2       ALA  27   7.239  -1.085  -0.211
  157   3HB   ALA  27          HB3       ALA  27   7.377   0.642   0.096
  158    H    GLN  28           HN       GLN  28   6.205  -2.623   2.982
  159    HA   GLN  28           HA       GLN  28   3.901  -3.702   1.962
  160   1HB   GLN  28          HB2       GLN  28   4.925  -5.275   3.163
  161   2HB   GLN  28          HB1       GLN  28   5.673  -4.111   4.234
  162   1HG   GLN  28          HG2       GLN  28   2.807  -4.545   4.643
  163   2HG   GLN  28          HG1       GLN  28   3.848  -5.924   4.976
  164   1HE2  GLN  28          HE21      GLN  28   2.819  -5.386   7.147
  165   2HE2  GLN  28          HE22      GLN  28   3.718  -4.326   8.173
  166    H    CYS  29           HN       CYS  29   2.165  -2.387   1.768
  167    HA   CYS  29           HA       CYS  29   0.280  -1.257   2.330
  168   1HB   CYS  29          HB2       CYS  29   0.688  -2.576   5.028
  169   2HB   CYS  29          HB1       CYS  29  -0.803  -1.827   4.463
  170    H    ALA  30           HN       ALA  30   2.525   0.201   2.328
  171    HA   ALA  30           HA       ALA  30   2.903   1.686   4.752
  172   1HB   ALA  30          HB1       ALA  30   4.544   2.881   3.616
  173   2HB   ALA  30          HB2       ALA  30   3.751   2.675   2.055
  174   3HB   ALA  30          HB3       ALA  30   4.571   1.311   2.813
  175    H    GLU  31           HN       GLU  31   2.973   4.258   2.882
  176    HA   GLU  31           HA       GLU  31   0.789   5.602   3.817
  177   1HB   GLU  31          HB2       GLU  31   2.672   6.413   2.203
  178   2HB   GLU  31          HB1       GLU  31   1.569   5.921   0.928
  179   1HG   GLU  31          HG2       GLU  31   0.290   7.579   2.941
  180   2HG   GLU  31          HG1       GLU  31   1.648   8.378   2.149
  181    H    GLY  32           HN       GLY  32   1.008   3.238   1.346
  182   1HA   GLY  32          HA2       GLY  32  -1.897   2.950   1.312
  183   2HA   GLY  32          HA1       GLY  32  -1.044   3.120  -0.222
  184    H    LEU  33           HN       LEU  33  -0.948   1.166  -1.161
  185    HA   LEU  33           HA       LEU  33  -0.497  -1.103   0.595
  186   1HB   LEU  33          HB2       LEU  33  -2.233  -0.939  -1.395
  187   2HB   LEU  33          HB1       LEU  33  -0.856  -1.504  -2.322
  188    HG   LEU  33           HG       LEU  33  -2.637  -2.994  -0.627
  189   1HD1  LEU  33          HD11      LEU  33  -0.644  -3.453  -2.749
  190   2HD1  LEU  33          HD12      LEU  33  -2.315  -4.000  -2.617
  191   3HD1  LEU  33          HD13      LEU  33  -1.044  -4.821  -1.710
  192   1HD2  LEU  33          HD21      LEU  33   0.281  -3.148   0.074
  193   2HD2  LEU  33          HD22      LEU  33  -0.899  -4.396   0.456
  194   3HD2  LEU  33          HD23      LEU  33  -1.069  -2.787   1.148
  195    H    CYS  34           HN       CYS  34   0.658  -2.706  -1.681
  196    HA   CYS  34           HA       CYS  34   3.236  -1.496  -2.192
  197   1HB   CYS  34          HB2       CYS  34   3.084  -2.762   0.172
  198   2HB   CYS  34          HB1       CYS  34   3.446  -4.134  -0.863
  199    H    CYS  35           HN       CYS  35   4.587  -3.973  -2.675
  200    HA   CYS  35           HA       CYS  35   3.120  -5.634  -4.410
  201   1HB   CYS  35          HB2       CYS  35   3.021  -4.182  -6.160
  202   2HB   CYS  35          HB1       CYS  35   4.357  -3.213  -5.557
  203    H    ASP  36           HN       ASP  36   6.198  -4.369  -3.420
  204    HA   ASP  36           HA       ASP  36   7.684  -6.638  -4.383
  205   1HB   ASP  36          HB2       ASP  36   9.597  -5.487  -3.754
  206   2HB   ASP  36          HB1       ASP  36   8.472  -4.179  -4.093
  207    H    GLN  37           HN       GLN  37   9.396  -7.457  -2.608
  208    HA   GLN  37           HA       GLN  37   8.137  -9.312  -1.040
  209   1HB   GLN  37          HB2       GLN  37  10.828  -8.009  -0.611
  210   2HB   GLN  37          HB1       GLN  37  10.282  -9.441   0.252
  211   1HG   GLN  37          HG2       GLN  37   9.901  -9.974  -2.477
  212   2HG   GLN  37          HG1       GLN  37  11.492  -9.229  -2.329
  213   1HE2  GLN  37          HE21      GLN  37   9.453 -11.823  -1.101
  214   2HE2  GLN  37          HE22      GLN  37  10.747 -12.884  -0.671
  215    H    CYS  38           HN       CYS  38   8.552  -5.975  -0.423
  216    HA   CYS  38           HA       CYS  38   8.663  -5.382   2.115
  217   1HB   CYS  38          HB2       CYS  38   6.541  -3.908   1.769
  218   2HB   CYS  38          HB1       CYS  38   7.976  -3.587   0.813
  219    H    ARG  39           HN       ARG  39   5.925  -7.106   0.723
  220    HA   ARG  39           HA       ARG  39   4.630  -8.723   1.776
  221   1HB   ARG  39          HB2       ARG  39   6.445  -8.376   3.737
  222   2HB   ARG  39          HB1       ARG  39   5.038  -7.666   4.514
  223   1HG   ARG  39          HG2       ARG  39   4.564  -9.744   5.156
  224   2HG   ARG  39          HG1       ARG  39   4.023  -9.991   3.494
  225   1HD   ARG  39          HD2       ARG  39   6.837 -10.311   3.540
  226   2HD   ARG  39          HD1       ARG  39   6.175 -11.243   4.882
  227    HE   ARG  39           HE       ARG  39   4.578 -12.015   2.905
  228   1HH1  ARG  39          HH11      ARG  39   8.039 -11.640   2.990
  229   2HH1  ARG  39          HH12      ARG  39   8.334 -12.887   1.826
  230   1HH2  ARG  39          HH21      ARG  39   4.954 -13.660   1.370
  231   2HH2  ARG  39          HH22      ARG  39   6.579 -14.036   0.904
  232    H    PHE  40           HN       PHE  40   2.980  -8.221   4.062
  233    HA   PHE  40           HA       PHE  40   1.726  -5.667   3.735
  234   1HB   PHE  40          HB2       PHE  40   0.208  -8.094   2.785
  235   2HB   PHE  40          HB1       PHE  40  -0.377  -6.432   2.827
  236    HD1  PHE  40           HD1      PHE  40   1.486  -8.884   0.965
  237    HD2  PHE  40           HD2      PHE  40   0.693  -4.737   1.383
  238    HE1  PHE  40           HE1      PHE  40   2.386  -8.483  -1.282
  239    HE2  PHE  40           HE2      PHE  40   1.569  -4.321  -0.856
  240    HZ   PHE  40           HZ       PHE  40   2.424  -6.201  -2.210
  241    H    MET  41           HN       MET  41   0.510  -5.113   5.439
  242    HA   MET  41           HA       MET  41   0.719  -6.253   7.882
  243   1HB   MET  41          HB2       MET  41  -0.950  -4.246   6.672
  244   2HB   MET  41          HB1       MET  41  -1.883  -5.168   7.843
  245   1HG   MET  41          HG2       MET  41  -1.029  -3.452   9.117
  246   2HG   MET  41          HG1       MET  41   0.117  -4.757   9.419
  247   1HE   MET  41          HE1       MET  41   1.277  -2.999  10.485
  248   2HE   MET  41          HE2       MET  41   1.985  -1.555   9.761
  249   3HE   MET  41          HE3       MET  41   2.854  -3.088   9.702
  250    H    LYS  42           HN       LYS  42  -2.443  -6.397   6.279
  251    HA   LYS  42           HA       LYS  42  -3.793  -8.226   5.860
  252   1HB   LYS  42          HB2       LYS  42  -2.078  -9.877   7.706
  253   2HB   LYS  42          HB1       LYS  42  -3.241 -10.447   6.519
  254   1HG   LYS  42          HG2       LYS  42  -1.053  -8.814   5.438
  255   2HG   LYS  42          HG1       LYS  42  -0.577 -10.370   6.121
  256   1HD   LYS  42          HD2       LYS  42  -2.956 -10.583   4.474
  257   2HD   LYS  42          HD1       LYS  42  -1.588  -9.920   3.578
  258   1HE   LYS  42          HE2       LYS  42  -1.255 -12.170   3.269
  259   2HE   LYS  42          HE1       LYS  42  -0.285 -11.888   4.713
  260   1HZ   LYS  42          HZ1       LYS  42  -1.956 -12.800   6.076
  261   2HZ   LYS  42          HZ2       LYS  42  -1.799 -13.871   4.777
  262   3HZ   LYS  42          HZ3       LYS  42  -3.103 -12.795   4.832
  263    H    GLU  43           HN       GLU  43  -4.958  -6.583   7.172
  264    HA   GLU  43           HA       GLU  43  -6.731  -7.601   8.904
  265   1HB   GLU  43          HB2       GLU  43  -5.222  -8.327  10.530
  266   2HB   GLU  43          HB1       GLU  43  -4.196  -6.910  10.350
  267   1HG   GLU  43          HG2       GLU  43  -5.590  -5.576  11.628
  268   2HG   GLU  43          HG1       GLU  43  -6.979  -6.639  11.401
  269    H    GLY  44           HN       GLY  44  -7.710  -5.925   7.599
  270   1HA   GLY  44          HA2       GLY  44  -8.399  -3.753   7.154
  271   2HA   GLY  44          HA1       GLY  44  -8.527  -3.694   8.901
  272    H    THR  45           HN       THR  45  -5.993  -3.459   6.359
  273    HA   THR  45           HA       THR  45  -4.772  -1.384   8.061
  274    HB   THR  45           HB       THR  45  -3.344  -2.746   5.812
  275    HG1  THR  45           HG1      THR  45  -4.296  -4.302   7.320
  276   1HG2  THR  45          HG21      THR  45  -2.215  -1.909   8.441
  277   2HG2  THR  45          HG22      THR  45  -2.404  -0.760   7.117
  278   3HG2  THR  45          HG23      THR  45  -1.385  -2.185   6.910
  279    H    ILE  46           HN       ILE  46  -3.223  -1.014   5.213
  280    HA   ILE  46           HA       ILE  46  -5.276   0.710   4.064
  281    HB   ILE  46           HB       ILE  46  -2.833   1.582   5.395
  282   1HG1  ILE  46          HG12      ILE  46  -5.174   2.276   5.903
  283   2HG1  ILE  46          HG11      ILE  46  -4.070   3.622   5.643
  284   1HG2  ILE  46          HG21      ILE  46  -1.763   2.055   3.422
  285   2HG2  ILE  46          HG22      ILE  46  -2.656   3.552   3.686
  286   3HG2  ILE  46          HG23      ILE  46  -3.266   2.350   2.549
  287   1HD1  ILE  46          HD11      ILE  46  -5.503   2.711   3.257
  288   2HD1  ILE  46          HD12      ILE  46  -5.180   4.343   3.839
  289   3HD1  ILE  46          HD13      ILE  46  -6.510   3.408   4.524
  290    H    CYS  47           HN       CYS  47  -5.546  -0.409   2.176
  291    HA   CYS  47           HA       CYS  47  -3.200  -1.135   0.596
  292   1HB   CYS  47          HB2       CYS  47  -4.941  -2.808   0.723
  293   2HB   CYS  47          HB1       CYS  47  -6.139  -1.652   0.147
  294    H    ARG  48           HN       ARG  48  -4.609   1.638   1.118
  295    HA   ARG  48           HA       ARG  48  -5.702   3.110  -0.595
  296   1HB   ARG  48          HB2       ARG  48  -2.770   3.621  -0.201
  297   2HB   ARG  48          HB1       ARG  48  -3.964   4.812  -0.652
  298   1HG   ARG  48          HG2       ARG  48  -4.745   3.472   1.759
  299   2HG   ARG  48          HG1       ARG  48  -3.124   4.145   1.909
  300   1HD   ARG  48          HD2       ARG  48  -4.893   5.995   0.589
  301   2HD   ARG  48          HD1       ARG  48  -5.541   5.514   2.156
  302    HE   ARG  48           HE       ARG  48  -3.141   6.116   2.930
  303   1HH1  ARG  48          HH11      ARG  48  -4.989   7.804   0.489
  304   2HH1  ARG  48          HH12      ARG  48  -4.211   9.321   0.779
  305   1HH2  ARG  48          HH21      ARG  48  -2.123   8.113   3.303
  306   2HH2  ARG  48          HH22      ARG  48  -2.586   9.497   2.370
  307    H    ARG  49           HN       ARG  49  -6.212   3.024  -2.670
  308    HA   ARG  49           HA       ARG  49  -4.084   2.785  -4.647
  309   1HB   ARG  49          HB2       ARG  49  -5.838   0.612  -3.965
  310   2HB   ARG  49          HB1       ARG  49  -6.135   1.115  -5.623
  311   1HG   ARG  49          HG2       ARG  49  -3.589   0.988  -5.907
  312   2HG   ARG  49          HG1       ARG  49  -3.613   0.064  -4.403
  313   1HD   ARG  49          HD2       ARG  49  -3.745  -1.596  -6.011
  314   2HD   ARG  49          HD1       ARG  49  -5.437  -1.343  -5.586
  315    HE   ARG  49           HE       ARG  49  -4.804   0.330  -7.737
  316   1HH1  ARG  49          HH11      ARG  49  -5.144  -3.060  -7.020
  317   2HH1  ARG  49          HH12      ARG  49  -5.616  -3.486  -8.631
  318   1HH2  ARG  49          HH21      ARG  49  -5.423  -0.219  -9.862
  319   2HH2  ARG  49          HH22      ARG  49  -5.774  -1.871 -10.248
  320    H    ALA  50           HN       ALA  50  -6.372   4.636  -3.639
  321    HA   ALA  50           HA       ALA  50  -7.819   5.023  -6.149
  322   1HB   ALA  50          HB1       ALA  50  -9.485   5.716  -4.857
  323   2HB   ALA  50          HB2       ALA  50  -8.471   6.981  -4.164
  324   3HB   ALA  50          HB3       ALA  50  -8.491   5.372  -3.442
  325    H    ARG  51           HN       ARG  51  -8.136   7.390  -6.809
  326    HA   ARG  51           HA       ARG  51  -5.655   8.916  -6.431
  327   1HB   ARG  51          HB2       ARG  51  -6.832   9.152  -9.113
  328   2HB   ARG  51          HB1       ARG  51  -5.151   9.017  -8.627
  329   1HG   ARG  51          HG2       ARG  51  -6.116   6.510  -8.097
  330   2HG   ARG  51          HG1       ARG  51  -7.002   6.969  -9.553
  331   1HD   ARG  51          HD2       ARG  51  -5.062   5.963 -10.370
  332   2HD   ARG  51          HD1       ARG  51  -4.721   7.690 -10.475
  333    HE   ARG  51           HE       ARG  51  -3.828   6.491  -8.022
  334   1HH1  ARG  51          HH11      ARG  51  -3.019   7.139 -11.347
  335   2HH1  ARG  51          HH12      ARG  51  -1.309   7.056 -11.082
  336   1HH2  ARG  51          HH21      ARG  51  -1.580   6.380  -7.662
  337   2HH2  ARG  51          HH22      ARG  51  -0.491   6.624  -8.986
  338    H    GLY  52           HN       GLY  52  -8.510   9.495  -8.475
  339   1HA   GLY  52          HA2       GLY  52  -9.567  11.596  -8.715
  340   2HA   GLY  52          HA1       GLY  52 -10.239  10.976  -7.216
  341    H    ASP  53           HN       ASP  53 -10.116  12.258  -5.509
  342    HA   ASP  53           HA       ASP  53  -8.291  14.553  -5.609
  343   1HB   ASP  53          HB2       ASP  53 -10.813  14.828  -5.234
  344   2HB   ASP  53          HB1       ASP  53 -10.535  14.148  -3.634
  345    H    ASP  54           HN       ASP  54  -8.781  11.549  -4.102
  346    HA   ASP  54           HA       ASP  54  -6.447  11.932  -2.434
  347   1HB   ASP  54          HB2       ASP  54  -9.054  11.042  -1.181
  348   2HB   ASP  54          HB1       ASP  54  -7.507  11.243  -0.365
  349    H    LEU  55           HN       LEU  55  -6.828   9.577  -0.879
  350    HA   LEU  55           HA       LEU  55  -7.367   7.407  -2.714
  351   1HB   LEU  55          HB2       LEU  55  -4.611   7.505  -1.534
  352   2HB   LEU  55          HB1       LEU  55  -5.210   6.503  -2.842
  353    HG   LEU  55           HG       LEU  55  -5.436   8.652  -4.195
  354   1HD1  LEU  55          HD11      LEU  55  -4.903  10.610  -3.301
  355   2HD1  LEU  55          HD12      LEU  55  -3.335  10.000  -2.774
  356   3HD1  LEU  55          HD13      LEU  55  -4.751   9.802  -1.741
  357   1HD2  LEU  55          HD21      LEU  55  -2.574   8.235  -3.527
  358   2HD2  LEU  55          HD22      LEU  55  -3.374   8.302  -5.097
  359   3HD2  LEU  55          HD23      LEU  55  -3.498   6.849  -4.105
  360    H    ASP  56           HN       ASP  56  -8.108   5.670  -1.633
  361    HA   ASP  56           HA       ASP  56  -7.276   5.231   1.121
  362   1HB   ASP  56          HB2       ASP  56 -10.080   5.868   0.268
  363   2HB   ASP  56          HB1       ASP  56  -9.792   4.825   1.657
  364    H    ASP  57           HN       ASP  57  -8.056   3.138   1.954
  365    HA   ASP  57           HA       ASP  57  -9.301   1.094   0.792
  366   1HB   ASP  57          HB2       ASP  57  -6.947   1.749  -0.805
  367   2HB   ASP  57          HB1       ASP  57  -6.959   0.069  -0.279
  368    H    TYR  58           HN       TYR  58  -8.900  -0.902   1.840
  369    HA   TYR  58           HA       TYR  58  -7.018  -0.652   4.070
  370   1HB   TYR  58          HB2       TYR  58  -9.552  -2.199   3.680
  371   2HB   TYR  58          HB1       TYR  58  -8.385  -2.719   4.896
  372    HD1  TYR  58           HD1      TYR  58  -8.638   0.818   4.128
  373    HD2  TYR  58           HD2      TYR  58 -10.067  -2.282   6.666
  374    HE1  TYR  58           HE1      TYR  58  -9.502   2.508   5.687
  375    HE2  TYR  58           HE2      TYR  58 -10.939  -0.600   8.234
  376    HH   TYR  58           HH       TYR  58 -10.207   2.025   8.716
  377    H    CYS  59           HN       CYS  59  -5.781  -2.533   4.749
  378    HA   CYS  59           HA       CYS  59  -5.063  -4.218   2.464
  379   1HB   CYS  59          HB2       CYS  59  -3.074  -3.218   2.547
  380   2HB   CYS  59          HB1       CYS  59  -3.461  -2.425   4.058
  381    H    ASN  60           HN       ASN  60  -6.215  -6.007   2.943
  382    HA   ASN  60           HA       ASN  60  -5.692  -7.367   5.479
  383   1HB   ASN  60          HB2       ASN  60  -7.966  -8.061   3.648
  384   2HB   ASN  60          HB1       ASN  60  -7.824  -8.334   5.380
  385   1HD2  ASN  60          HD21      ASN  60  -6.734  -5.615   5.753
  386   2HD2  ASN  60          HD22      ASN  60  -8.076  -4.549   5.609
  387    H    GLY  61           HN       GLY  61  -7.003  -8.956   2.657
  388   1HA   GLY  61          HA2       GLY  61  -4.823 -10.870   2.708
  389   2HA   GLY  61          HA1       GLY  61  -6.254 -10.946   1.682
  390    H    ILE  62           HN       ILE  62  -4.935  -7.901   1.675
  391    HA   ILE  62           HA       ILE  62  -4.336  -7.785  -1.017
  392    HB   ILE  62           HB       ILE  62  -3.467  -5.593  -0.572
  393   1HG1  ILE  62          HG12      ILE  62  -2.027  -5.608   1.216
  394   2HG1  ILE  62          HG11      ILE  62  -3.456  -4.998   2.010
  395   1HG2  ILE  62          HG21      ILE  62  -5.725  -6.244   1.308
  396   2HG2  ILE  62          HG22      ILE  62  -5.885  -5.864  -0.398
  397   3HG2  ILE  62          HG23      ILE  62  -5.313  -4.636   0.726
  398   1HD1  ILE  62          HD11      ILE  62  -3.884  -7.035   3.052
  399   2HD1  ILE  62          HD12      ILE  62  -2.153  -6.785   3.213
  400   3HD1  ILE  62          HD13      ILE  62  -2.769  -7.912   2.016
  401    H    SER  63           HN       SER  63  -2.810  -9.224  -1.778
  402    HA   SER  63           HA       SER  63  -0.142  -9.082  -0.576
  403   1HB   SER  63          HB2       SER  63   0.360 -11.104  -1.619
  404   2HB   SER  63          HB1       SER  63  -1.328 -11.292  -1.148
  405    HG   SER  63           HG       SER  63  -1.885 -11.373  -3.181
  406    H    ALA  64           HN       ALA  64  -1.036  -6.864  -1.729
  407    HA   ALA  64           HA       ALA  64   0.265  -5.299  -2.920
  408   1HB   ALA  64          HB1       ALA  64   1.796  -6.954  -3.871
  409   2HB   ALA  64          HB2       ALA  64   1.233  -5.806  -5.085
  410   3HB   ALA  64          HB3       ALA  64   0.553  -7.432  -5.026
  411    H    GLY  65           HN       GLY  65  -2.539  -6.492  -2.822
  412   1HA   GLY  65          HA2       GLY  65  -3.716  -4.674  -4.769
  413   2HA   GLY  65          HA1       GLY  65  -4.146  -6.374  -4.935
  414    H    CYS  66           HN       CYS  66  -5.896  -4.093  -4.229
  415    HA   CYS  66           HA       CYS  66  -6.447  -4.383  -1.412
  416   1HB   CYS  66          HB2       CYS  66  -8.098  -2.951  -3.495
  417   2HB   CYS  66          HB1       CYS  66  -8.182  -2.745  -1.747
  418    HA   PRO  67           HA       PRO  67  -9.351  -7.658  -1.100
  419   1HB   PRO  67          HB2       PRO  67 -11.338  -6.222   0.288
  420   2HB   PRO  67          HB1       PRO  67 -10.009  -7.133   1.009
  421   1HG   PRO  67          HG2       PRO  67 -10.199  -4.204   0.420
  422   2HG   PRO  67          HG1       PRO  67  -9.469  -5.024   1.815
  423   1HD   PRO  67          HD2       PRO  67  -7.918  -4.043  -0.077
  424   2HD   PRO  67          HD1       PRO  67  -7.580  -5.652   0.601
  425    H    ARG  68           HN       ARG  68 -12.122  -7.417  -0.923
  426    HA   ARG  68           HA       ARG  68 -12.822  -6.372  -3.588
  427   1HB   ARG  68          HB2       ARG  68 -14.147  -8.701  -2.199
  428   2HB   ARG  68          HB1       ARG  68 -14.374  -8.179  -3.862
  429   1HG   ARG  68          HG2       ARG  68 -11.699  -8.637  -3.816
  430   2HG   ARG  68          HG1       ARG  68 -12.284  -9.854  -2.678
  431   1HD   ARG  68          HD2       ARG  68 -13.006  -9.488  -5.570
  432   2HD   ARG  68          HD1       ARG  68 -12.315 -10.905  -4.781
  433    HE   ARG  68           HE       ARG  68 -15.098 -10.156  -4.890
  434   1HH1  ARG  68          HH11      ARG  68 -12.671 -12.034  -3.245
  435   2HH1  ARG  68          HH12      ARG  68 -13.805 -13.166  -2.589
  436   1HH2  ARG  68          HH21      ARG  68 -16.602 -11.641  -4.031
  437   2HH2  ARG  68          HH22      ARG  68 -16.041 -12.943  -3.036
  438    H    ASN  69           HN       ASN  69 -12.994  -4.618  -1.552
  439    HA   ASN  69           HA       ASN  69 -15.827  -4.085  -1.465
  440   1HB   ASN  69          HB2       ASN  69 -14.268  -4.587   1.076
  441   2HB   ASN  69          HB1       ASN  69 -15.828  -3.772   1.032
  442   1HD2  ASN  69          HD21      ASN  69 -17.668  -4.955   0.367
  443   2HD2  ASN  69          HD22      ASN  69 -17.704  -6.678   0.486
  444    HA   PRO  70           HA       PRO  70 -13.765  -0.171  -2.360
  445   1HB   PRO  70          HB2       PRO  70 -16.595   0.640  -1.827
  446   2HB   PRO  70          HB1       PRO  70 -15.509   1.142  -3.128
  447   1HG   PRO  70          HG2       PRO  70 -17.423  -0.654  -3.576
  448   2HG   PRO  70          HG1       PRO  70 -15.826  -0.815  -4.330
  449   1HD   PRO  70          HD2       PRO  70 -17.023  -2.351  -2.084
  450   2HD   PRO  70          HD1       PRO  70 -15.836  -2.864  -3.300
  451    H    PHE  71           HN       PHE  71 -12.572  -0.166  -0.383
  452    HA   PHE  71           HA       PHE  71 -13.755   0.495   2.115
  453   1HB   PHE  71          HB2       PHE  71 -10.948   0.356   1.083
  454   2HB   PHE  71          HB1       PHE  71 -11.267   1.055   2.667
  455    HD1  PHE  71           HD1      PHE  71 -11.579  -2.006   0.629
  456    HD2  PHE  71           HD2      PHE  71 -11.747  -0.314   4.530
  457    HE1  PHE  71           HE1      PHE  71 -11.638  -4.266   1.602
  458    HE2  PHE  71           HE2      PHE  71 -11.801  -2.570   5.510
  459    HZ   PHE  71           HZ       PHE  71 -11.746  -4.549   4.046
  460    H    HIS  72           HN       HIS  72 -11.689   2.417  -0.093
  461    HA   HIS  72           HA       HIS  72 -11.569   4.807   1.102
  462   1HB   HIS  72          HB2       HIS  72 -10.645   4.562  -1.086
  463   2HB   HIS  72          HB1       HIS  72 -12.227   4.242  -1.789
  464    HD1  HIS  72           HD1      HIS  72 -11.603   6.245  -3.440
  465    HD2  HIS  72           HD2      HIS  72 -12.202   7.293   0.536
  466    HE1  HIS  72           HE1      HIS  72 -11.928   8.738  -3.444
  467    HE2  HIS  72           HE2      HIS  72 -12.211   9.360  -1.018
  468    H    ALA  73           HN       ALA  73 -14.441   3.559  -0.548
  469    HA   ALA  73           HA       ALA  73 -15.982   5.812   0.558
  470   1HB   ALA  73          HB1       ALA  73 -16.121   5.770  -1.831
  471   2HB   ALA  73          HB2       ALA  73 -17.673   5.241  -1.182
  472   3HB   ALA  73          HB3       ALA  73 -16.537   4.056  -1.827
  Start of MODEL    5
    1   1H    GLU   1           HT1      GLU   1  -2.747   1.604  14.175
    2   2H    GLU   1           HT2      GLU   1  -1.204   2.330  13.983
    3   3H    GLU   1           HT3      GLU   1  -1.547   0.826  13.230
    4    HA   GLU   1           HA       GLU   1  -3.177   1.850  11.852
    5   1HB   GLU   1          HB2       GLU   1  -3.550   4.228  11.925
    6   2HB   GLU   1          HB1       GLU   1  -3.770   3.587  13.547
    7   1HG   GLU   1          HG2       GLU   1  -2.463   5.291  14.154
    8   2HG   GLU   1          HG1       GLU   1  -1.148   4.249  13.614
    9    H    ALA   2           HN       ALA   2  -2.572   2.694   9.814
   10    HA   ALA   2           HA       ALA   2   0.135   3.662   9.434
   11   1HB   ALA   2          HB1       ALA   2  -0.508   0.897   9.076
   12   2HB   ALA   2          HB2       ALA   2   1.041   1.716   8.872
   13   3HB   ALA   2          HB3       ALA   2  -0.087   1.612   7.520
   14    H    GLY   3           HN       GLY   3   0.320   3.286   6.686
   15   1HA   GLY   3          HA2       GLY   3  -0.378   4.164   4.688
   16   2HA   GLY   3          HA1       GLY   3  -2.024   3.944   5.267
   17    H    GLU   4           HN       GLU   4  -1.342   6.208   3.680
   18    HA   GLU   4           HA       GLU   4  -1.988   8.414   3.754
   19   1HB   GLU   4          HB2       GLU   4  -1.703   8.431   6.747
   20   2HB   GLU   4          HB1       GLU   4  -2.688   9.477   5.733
   21   1HG   GLU   4          HG2       GLU   4  -3.541   6.810   5.311
   22   2HG   GLU   4          HG1       GLU   4  -3.416   7.075   7.050
   23    H    GLU   5           HN       GLU   5   0.436   7.554   6.218
   24    HA   GLU   5           HA       GLU   5   1.954   9.933   5.868
   25   1HB   GLU   5          HB2       GLU   5   2.612   7.272   7.132
   26   2HB   GLU   5          HB1       GLU   5   3.727   8.632   7.124
   27   1HG   GLU   5          HG2       GLU   5   0.963   8.707   8.309
   28   2HG   GLU   5          HG1       GLU   5   2.437   8.393   9.223
   29    H    CYS   6           HN       CYS   6   4.446   9.588   5.383
   30    HA   CYS   6           HA       CYS   6   5.994   9.352   3.728
   31   1HB   CYS   6          HB2       CYS   6   6.216   7.091   4.306
   32   2HB   CYS   6          HB1       CYS   6   4.610   6.684   3.714
   33    H    ASP   7           HN       ASP   7   6.322   9.316   1.389
   34    HA   ASP   7           HA       ASP   7   3.977   9.283  -0.304
   35   1HB   ASP   7          HB2       ASP   7   5.572  11.836  -0.232
   36   2HB   ASP   7          HB1       ASP   7   4.011  11.541  -0.992
   37    H    CYS   8           HN       CYS   8   5.312   7.530  -1.137
   38    HA   CYS   8           HA       CYS   8   7.242   8.541  -3.104
   39   1HB   CYS   8          HB2       CYS   8   7.663   6.312  -1.137
   40   2HB   CYS   8          HB1       CYS   8   8.510   6.340  -2.676
   41    H    GLY   9           HN       GLY   9   4.399   7.001  -2.668
   42   1HA   GLY   9          HA2       GLY   9   3.824   6.231  -5.156
   43   2HA   GLY   9          HA1       GLY   9   4.810   4.880  -4.623
   44    H    SER  10           HN       SER  10   2.950   3.525  -4.972
   45    HA   SER  10           HA       SER  10   1.454   3.136  -2.597
   46   1HB   SER  10          HB2       SER  10  -0.026   4.206  -5.003
   47   2HB   SER  10          HB1       SER  10  -0.803   3.523  -3.572
   48    HG   SER  10           HG       SER  10   0.532   5.940  -3.900
   49    HA   PRO  11           HA       PRO  11   0.410  -0.804  -4.584
   50   1HB   PRO  11          HB2       PRO  11  -1.312  -1.007  -6.656
   51   2HB   PRO  11          HB1       PRO  11  -1.853  -0.752  -4.992
   52   1HG   PRO  11          HG2       PRO  11  -1.523   1.239  -7.201
   53   2HG   PRO  11          HG1       PRO  11  -2.844   1.075  -6.030
   54   1HD   PRO  11          HD2       PRO  11  -0.865   2.897  -5.764
   55   2HD   PRO  11          HD1       PRO  11  -1.678   2.159  -4.374
   56    H    GLY  12           HN       GLY  12   2.483  -1.071  -5.284
   57   1HA   GLY  12          HA2       GLY  12   3.521  -2.131  -7.291
   58   2HA   GLY  12          HA1       GLY  12   2.934  -0.736  -8.191
   59    H    ASN  13           HN       ASN  13   3.490   1.077  -5.984
   60    HA   ASN  13           HA       ASN  13   6.427   1.184  -6.166
   61   1HB   ASN  13          HB2       ASN  13   4.354   3.365  -6.303
   62   2HB   ASN  13          HB1       ASN  13   6.008   3.720  -5.813
   63   1HD2  ASN  13          HD21      ASN  13   3.928   2.765  -8.413
   64   2HD2  ASN  13          HD22      ASN  13   5.079   2.974  -9.684
   65    HA   PRO  14           HA       PRO  14   4.930   0.253  -1.761
   66   1HB   PRO  14          HB2       PRO  14   7.638  -0.604  -1.413
   67   2HB   PRO  14          HB1       PRO  14   6.189  -1.609  -1.491
   68   1HG   PRO  14          HG2       PRO  14   8.112  -0.889  -3.644
   69   2HG   PRO  14          HG1       PRO  14   7.165  -2.374  -3.434
   70   1HD   PRO  14          HD2       PRO  14   6.462  -0.618  -5.289
   71   2HD   PRO  14          HD1       PRO  14   5.207  -1.371  -4.274
   72    H    CYS  15           HN       CYS  15   4.810   2.579  -1.529
   73    HA   CYS  15           HA       CYS  15   5.820   4.706  -1.187
   74   1HB   CYS  15          HB2       CYS  15   5.090   3.100   0.996
   75   2HB   CYS  15          HB1       CYS  15   6.589   3.889   1.474
   76    H    CYS  16           HN       CYS  16   7.665   4.517  -2.600
   77    HA   CYS  16           HA       CYS  16   9.844   5.091  -2.924
   78   1HB   CYS  16          HB2       CYS  16   9.663   5.233  -0.048
   79   2HB   CYS  16          HB1       CYS  16  11.213   4.557  -0.533
   80    H    ASP  17           HN       ASP  17  11.641   3.977  -3.581
   81    HA   ASP  17           HA       ASP  17  12.335   1.395  -2.614
   82   1HB   ASP  17          HB2       ASP  17  11.746   0.283  -4.894
   83   2HB   ASP  17          HB1       ASP  17  10.489   0.470  -3.674
   84    H    ALA  18           HN       ALA  18  13.323   4.130  -3.957
   85    HA   ALA  18           HA       ALA  18  15.375   4.703  -4.801
   86   1HB   ALA  18          HB1       ALA  18  16.097   2.419  -3.892
   87   2HB   ALA  18          HB2       ALA  18  17.047   3.114  -5.202
   88   3HB   ALA  18          HB3       ALA  18  15.881   1.838  -5.540
   89    H    ALA  19           HN       ALA  19  13.582   2.218  -6.549
   90    HA   ALA  19           HA       ALA  19  13.094   3.864  -8.786
   91   1HB   ALA  19          HB1       ALA  19  14.540   3.075 -10.389
   92   2HB   ALA  19          HB2       ALA  19  14.853   1.572  -9.520
   93   3HB   ALA  19          HB3       ALA  19  15.580   3.080  -8.964
   94    H    THR  20           HN       THR  20  13.229   0.667  -7.354
   95    HA   THR  20           HA       THR  20  10.575   0.078  -8.287
   96    HB   THR  20           HB       THR  20  12.789  -1.849  -9.000
   97    HG1  THR  20           HG1      THR  20  11.750   0.311 -10.413
   98   1HG2  THR  20          HG21      THR  20  10.816  -2.413 -10.698
   99   2HG2  THR  20          HG22      THR  20   9.861  -1.832  -9.334
  100   3HG2  THR  20          HG23      THR  20  10.978  -3.180  -9.118
  101    H    CYS  21           HN       CYS  21   9.531  -1.206  -6.870
  102    HA   CYS  21           HA       CYS  21   9.687  -1.527  -4.393
  103   1HB   CYS  21          HB2       CYS  21   9.543  -4.019  -6.096
  104   2HB   CYS  21          HB1       CYS  21   8.998  -3.912  -4.428
  105    H    LYS  22           HN       LYS  22  11.679  -1.085  -3.432
  106    HA   LYS  22           HA       LYS  22  13.182  -3.340  -2.610
  107   1HB   LYS  22          HB2       LYS  22  14.204  -1.733  -4.882
  108   2HB   LYS  22          HB1       LYS  22  15.367  -2.184  -3.643
  109   1HG   LYS  22          HG2       LYS  22  14.363  -4.570  -3.977
  110   2HG   LYS  22          HG1       LYS  22  13.840  -3.912  -5.528
  111   1HD   LYS  22          HD2       LYS  22  16.672  -3.556  -4.644
  112   2HD   LYS  22          HD1       LYS  22  16.155  -5.099  -5.326
  113   1HE   LYS  22          HE2       LYS  22  16.040  -2.385  -6.629
  114   2HE   LYS  22          HE1       LYS  22  17.043  -3.757  -7.099
  115   1HZ   LYS  22          HZ1       LYS  22  14.715  -4.904  -7.324
  116   2HZ   LYS  22          HZ2       LYS  22  15.341  -3.958  -8.578
  117   3HZ   LYS  22          HZ3       LYS  22  14.181  -3.312  -7.531
  118    H    LEU  23           HN       LEU  23  11.863  -0.864  -1.528
  119    HA   LEU  23           HA       LEU  23  13.964   0.806  -0.553
  120   1HB   LEU  23          HB2       LEU  23  12.315   1.950   0.720
  121   2HB   LEU  23          HB1       LEU  23  11.644   1.599  -0.854
  122    HG   LEU  23           HG       LEU  23  11.028   0.008   1.637
  123   1HD1  LEU  23          HD11      LEU  23   9.401   1.431   2.170
  124   2HD1  LEU  23          HD12      LEU  23   8.913   1.645   0.489
  125   3HD1  LEU  23          HD13      LEU  23  10.252   2.585   1.144
  126   1HD2  LEU  23          HD21      LEU  23  10.126  -0.105  -1.204
  127   2HD2  LEU  23          HD22      LEU  23   8.994  -0.531   0.081
  128   3HD2  LEU  23          HD23      LEU  23  10.510  -1.419  -0.091
  129    H    ARG  24           HN       ARG  24  14.715   1.040   1.542
  130    HA   ARG  24           HA       ARG  24  14.676  -1.448   3.093
  131   1HB   ARG  24          HB2       ARG  24  16.568   0.911   3.161
  132   2HB   ARG  24          HB1       ARG  24  16.676  -0.479   4.233
  133   1HG   ARG  24          HG2       ARG  24  17.345  -1.902   2.535
  134   2HG   ARG  24          HG1       ARG  24  16.698  -0.857   1.269
  135   1HD   ARG  24          HD2       ARG  24  18.499   0.573   1.339
  136   2HD   ARG  24          HD1       ARG  24  18.892   0.164   3.009
  137    HE   ARG  24           HE       ARG  24  19.377  -2.139   1.671
  138   1HH1  ARG  24          HH11      ARG  24  20.402   1.159   1.225
  139   2HH1  ARG  24          HH12      ARG  24  21.924   0.727   0.520
  140   1HH2  ARG  24          HH21      ARG  24  21.379  -2.720   0.744
  141   2HH2  ARG  24          HH22      ARG  24  22.479  -1.478   0.246
  142    H    GLN  25           HN       GLN  25  12.903   1.215   2.983
  143    HA   GLN  25           HA       GLN  25  12.889   1.782   5.850
  144   1HB   GLN  25          HB2       GLN  25  11.142   3.095   3.781
  145   2HB   GLN  25          HB1       GLN  25  11.611   3.712   5.359
  146   1HG   GLN  25          HG2       GLN  25  14.000   3.302   3.961
  147   2HG   GLN  25          HG1       GLN  25  12.888   4.049   2.816
  148   1HE2  GLN  25          HE21      GLN  25  14.169   4.371   6.093
  149   2HE2  GLN  25          HE22      GLN  25  14.106   6.096   6.140
  150    H    GLY  26           HN       GLY  26  11.265  -0.025   3.494
  151   1HA   GLY  26          HA2       GLY  26   9.584  -1.569   3.701
  152   2HA   GLY  26          HA1       GLY  26   9.537  -1.215   5.419
  153    H    ALA  27           HN       ALA  27   8.386  -0.228   2.262
  154    HA   ALA  27           HA       ALA  27   6.504   1.677   3.275
  155   1HB   ALA  27          HB1       ALA  27   5.733   1.454   0.788
  156   2HB   ALA  27          HB2       ALA  27   7.246   0.572   0.612
  157   3HB   ALA  27          HB3       ALA  27   7.263   2.235   1.180
  158    H    GLN  28           HN       GLN  28   6.089  -0.866   4.484
  159    HA   GLN  28           HA       GLN  28   4.145  -2.449   3.233
  160   1HB   GLN  28          HB2       GLN  28   4.152  -2.173   6.194
  161   2HB   GLN  28          HB1       GLN  28   4.004  -3.614   5.203
  162   1HG   GLN  28          HG2       GLN  28   6.092  -3.966   5.884
  163   2HG   GLN  28          HG1       GLN  28   6.490  -2.874   4.560
  164   1HE2  GLN  28          HE21      GLN  28   7.948  -3.418   7.026
  165   2HE2  GLN  28          HE22      GLN  28   8.117  -1.899   7.831
  166    H    CYS  29           HN       CYS  29   2.376  -1.392   2.429
  167    HA   CYS  29           HA       CYS  29   0.347  -0.345   2.395
  168   1HB   CYS  29          HB2       CYS  29   0.407  -1.297   5.264
  169   2HB   CYS  29          HB1       CYS  29  -0.994  -0.506   4.551
  170    H    ALA  30           HN       ALA  30   2.360   1.360   2.464
  171    HA   ALA  30           HA       ALA  30   1.980   3.258   4.624
  172   1HB   ALA  30          HB1       ALA  30   3.808   4.504   3.608
  173   2HB   ALA  30          HB2       ALA  30   3.770   3.430   2.212
  174   3HB   ALA  30          HB3       ALA  30   4.241   2.804   3.790
  175    H    GLU  31           HN       GLU  31   2.655   5.443   2.476
  176    HA   GLU  31           HA       GLU  31   0.261   6.721   2.282
  177   1HB   GLU  31          HB2       GLU  31   2.599   7.412   1.363
  178   2HB   GLU  31          HB1       GLU  31   2.074   6.633  -0.123
  179   1HG   GLU  31          HG2       GLU  31   0.249   8.621   1.099
  180   2HG   GLU  31          HG1       GLU  31   1.721   9.217   0.332
  181    H    GLY  32           HN       GLY  32   1.423   3.998   0.527
  182   1HA   GLY  32          HA2       GLY  32  -1.230   3.286  -0.340
  183   2HA   GLY  32          HA1       GLY  32  -0.116   3.657  -1.652
  184    H    LEU  33           HN       LEU  33  -1.238   1.110  -1.329
  185    HA   LEU  33           HA       LEU  33   0.014  -0.768   0.142
  186   1HB   LEU  33          HB2       LEU  33  -1.611  -0.790  -2.081
  187   2HB   LEU  33          HB1       LEU  33  -0.173  -1.620  -2.643
  188    HG   LEU  33           HG       LEU  33  -2.151  -2.957  -1.579
  189   1HD1  LEU  33          HD11      LEU  33   0.375  -3.863  -0.396
  190   2HD1  LEU  33          HD12      LEU  33   0.443  -3.505  -2.121
  191   3HD1  LEU  33          HD13      LEU  33  -0.719  -4.682  -1.510
  192   1HD2  LEU  33          HD21      LEU  33  -0.652  -2.738   0.950
  193   2HD2  LEU  33          HD22      LEU  33  -2.373  -3.006   0.666
  194   3HD2  LEU  33          HD23      LEU  33  -1.703  -1.378   0.549
  195    H    CYS  34           HN       CYS  34   1.616  -2.484  -0.650
  196    HA   CYS  34           HA       CYS  34   3.917  -1.234  -1.965
  197   1HB   CYS  34          HB2       CYS  34   5.040  -1.295  -0.020
  198   2HB   CYS  34          HB1       CYS  34   3.730  -2.160   0.766
  199    H    CYS  35           HN       CYS  35   5.481  -2.757  -2.780
  200    HA   CYS  35           HA       CYS  35   4.362  -5.381  -3.383
  201   1HB   CYS  35          HB2       CYS  35   4.178  -4.915  -5.569
  202   2HB   CYS  35          HB1       CYS  35   4.669  -3.260  -5.241
  203    H    ASP  36           HN       ASP  36   6.868  -3.655  -2.101
  204    HA   ASP  36           HA       ASP  36   8.947  -5.559  -2.870
  205   1HB   ASP  36          HB2       ASP  36   9.330  -3.030  -2.871
  206   2HB   ASP  36          HB1       ASP  36   9.284  -3.124  -1.118
  207    H    GLN  37           HN       GLN  37  10.507  -6.058  -0.965
  208    HA   GLN  37           HA       GLN  37   9.384  -7.834   0.750
  209   1HB   GLN  37          HB2       GLN  37  11.800  -6.123   1.358
  210   2HB   GLN  37          HB1       GLN  37  11.408  -7.663   2.111
  211   1HG   GLN  37          HG2       GLN  37  11.473  -7.900  -0.761
  212   2HG   GLN  37          HG1       GLN  37  12.984  -7.240  -0.137
  213   1HE2  GLN  37          HE21      GLN  37  14.122  -9.102  -0.661
  214   2HE2  GLN  37          HE22      GLN  37  13.951 -10.570   0.235
  215    H    CYS  38           HN       CYS  38   9.285  -4.386   1.011
  216    HA   CYS  38           HA       CYS  38   9.121  -3.492   3.428
  217   1HB   CYS  38          HB2       CYS  38   6.460  -2.945   2.616
  218   2HB   CYS  38          HB1       CYS  38   7.868  -1.917   2.487
  219    H    ARG  39           HN       ARG  39   6.401  -5.425   2.277
  220    HA   ARG  39           HA       ARG  39   5.449  -7.252   3.437
  221   1HB   ARG  39          HB2       ARG  39   6.204  -5.784   5.977
  222   2HB   ARG  39          HB1       ARG  39   5.379  -7.328   5.886
  223   1HG   ARG  39          HG2       ARG  39   7.619  -7.812   4.410
  224   2HG   ARG  39          HG1       ARG  39   8.222  -6.707   5.646
  225   1HD   ARG  39          HD2       ARG  39   8.457  -8.971   6.427
  226   2HD   ARG  39          HD1       ARG  39   7.218  -8.154   7.378
  227    HE   ARG  39           HE       ARG  39   5.830  -9.397   5.389
  228   1HH1  ARG  39          HH11      ARG  39   8.108 -10.432   7.809
  229   2HH1  ARG  39          HH12      ARG  39   7.432 -12.020   7.954
  230   1HH2  ARG  39          HH21      ARG  39   4.929 -11.485   5.571
  231   2HH2  ARG  39          HH22      ARG  39   5.625 -12.619   6.681
  232    H    PHE  40           HN       PHE  40   3.543  -6.915   5.459
  233    HA   PHE  40           HA       PHE  40   2.164  -4.429   4.986
  234   1HB   PHE  40          HB2       PHE  40   0.820  -6.935   3.991
  235   2HB   PHE  40          HB1       PHE  40   0.320  -5.259   3.744
  236    HD1  PHE  40           HD1      PHE  40   1.403  -3.869   2.086
  237    HD2  PHE  40           HD2      PHE  40   2.674  -7.878   2.740
  238    HE1  PHE  40           HE1      PHE  40   2.751  -3.775   0.055
  239    HE2  PHE  40           HE2      PHE  40   4.018  -7.787   0.704
  240    HZ   PHE  40           HZ       PHE  40   4.064  -5.735  -0.648
  241    H    MET  41           HN       MET  41   0.391  -4.066   6.295
  242    HA   MET  41           HA       MET  41   0.501  -5.122   8.853
  243   1HB   MET  41          HB2       MET  41  -0.956  -3.106   7.483
  244   2HB   MET  41          HB1       MET  41  -2.103  -4.064   8.410
  245   1HG   MET  41          HG2       MET  41   0.229  -3.474   9.986
  246   2HG   MET  41          HG1       MET  41  -0.475  -1.997   9.330
  247   1HE   MET  41          HE1       MET  41  -0.632  -4.068  12.568
  248   2HE   MET  41          HE2       MET  41  -0.927  -5.191  11.241
  249   3HE   MET  41          HE3       MET  41  -2.201  -4.858  12.413
  250    H    LYS  42           HN       LYS  42  -2.537  -5.270   7.048
  251    HA   LYS  42           HA       LYS  42  -3.792  -7.154   6.462
  252   1HB   LYS  42          HB2       LYS  42  -1.773  -8.620   6.876
  253   2HB   LYS  42          HB1       LYS  42  -2.271  -8.703   8.560
  254   1HG   LYS  42          HG2       LYS  42  -3.448 -10.492   8.000
  255   2HG   LYS  42          HG1       LYS  42  -4.555  -9.395   7.174
  256   1HD   LYS  42          HD2       LYS  42  -4.075 -10.740   5.411
  257   2HD   LYS  42          HD1       LYS  42  -2.692  -9.654   5.266
  258   1HE   LYS  42          HE2       LYS  42  -2.003 -11.667   7.131
  259   2HE   LYS  42          HE1       LYS  42  -2.721 -12.467   5.733
  260   1HZ   LYS  42          HZ1       LYS  42  -1.012 -10.537   4.732
  261   2HZ   LYS  42          HZ2       LYS  42  -0.786 -12.213   4.715
  262   3HZ   LYS  42          HZ3       LYS  42  -0.162 -11.290   5.987
  263    H    GLU  43           HN       GLU  43  -5.182  -5.518   7.526
  264    HA   GLU  43           HA       GLU  43  -6.886  -6.698   9.362
  265   1HB   GLU  43          HB2       GLU  43  -5.261  -6.476  11.072
  266   2HB   GLU  43          HB1       GLU  43  -4.882  -4.829  10.589
  267   1HG   GLU  43          HG2       GLU  43  -7.293  -4.279  11.228
  268   2HG   GLU  43          HG1       GLU  43  -7.297  -5.845  12.038
  269    H    GLY  44           HN       GLY  44  -5.662  -3.788   7.945
  270   1HA   GLY  44          HA2       GLY  44  -7.774  -2.759   6.773
  271   2HA   GLY  44          HA1       GLY  44  -8.148  -2.364   8.444
  272    H    THR  45           HN       THR  45  -5.002  -2.454   6.890
  273    HA   THR  45           HA       THR  45  -4.494   0.195   7.893
  274    HB   THR  45           HB       THR  45  -2.700  -1.432   6.117
  275    HG1  THR  45           HG1      THR  45  -3.550  -2.339   8.252
  276   1HG2  THR  45          HG21      THR  45  -1.998   0.867   6.396
  277   2HG2  THR  45          HG22      THR  45  -0.923  -0.237   7.254
  278   3HG2  THR  45          HG23      THR  45  -2.126   0.696   8.146
  279    H    ILE  46           HN       ILE  46  -3.304  -0.528   4.692
  280    HA   ILE  46           HA       ILE  46  -5.305   1.098   3.434
  281    HB   ILE  46           HB       ILE  46  -2.983   2.372   4.486
  282   1HG1  ILE  46          HG12      ILE  46  -4.444   4.186   2.924
  283   2HG1  ILE  46          HG11      ILE  46  -5.610   2.981   3.461
  284   1HG2  ILE  46          HG21      ILE  46  -1.711   2.061   2.549
  285   2HG2  ILE  46          HG22      ILE  46  -2.396   3.677   2.380
  286   3HG2  ILE  46          HG23      ILE  46  -3.096   2.325   1.490
  287   1HD1  ILE  46          HD11      ILE  46  -3.860   3.828   5.604
  288   2HD1  ILE  46          HD12      ILE  46  -5.621   3.789   5.525
  289   3HD1  ILE  46          HD13      ILE  46  -4.740   5.174   4.881
  290    H    CYS  47           HN       CYS  47  -5.714  -0.078   1.713
  291    HA   CYS  47           HA       CYS  47  -3.533  -1.288   0.186
  292   1HB   CYS  47          HB2       CYS  47  -5.014  -2.978   0.056
  293   2HB   CYS  47          HB1       CYS  47  -6.294  -1.978   0.719
  294    H    ARG  48           HN       ARG  48  -4.876   1.585   0.399
  295    HA   ARG  48           HA       ARG  48  -5.923   2.940  -1.397
  296   1HB   ARG  48          HB2       ARG  48  -2.938   3.269  -1.160
  297   2HB   ARG  48          HB1       ARG  48  -4.073   4.498  -1.699
  298   1HG   ARG  48          HG2       ARG  48  -4.590   3.318   0.955
  299   2HG   ARG  48          HG1       ARG  48  -3.150   4.326   0.804
  300   1HD   ARG  48          HD2       ARG  48  -4.844   5.938  -0.427
  301   2HD   ARG  48          HD1       ARG  48  -6.023   5.054   0.540
  302    HE   ARG  48           HE       ARG  48  -3.765   6.061   2.027
  303   1HH1  ARG  48          HH11      ARG  48  -6.978   6.712   0.853
  304   2HH1  ARG  48          HH12      ARG  48  -7.313   7.916   2.053
  305   1HH2  ARG  48          HH21      ARG  48  -4.195   7.644   3.612
  306   2HH2  ARG  48          HH22      ARG  48  -5.730   8.446   3.621
  307    H    ARG  49           HN       ARG  49  -6.605   2.125  -3.310
  308    HA   ARG  49           HA       ARG  49  -4.956   2.455  -5.575
  309   1HB   ARG  49          HB2       ARG  49  -4.789   0.174  -6.369
  310   2HB   ARG  49          HB1       ARG  49  -4.021   0.308  -4.791
  311   1HG   ARG  49          HG2       ARG  49  -5.606  -0.945  -3.755
  312   2HG   ARG  49          HG1       ARG  49  -6.869  -0.505  -4.901
  313   1HD   ARG  49          HD2       ARG  49  -5.506  -1.849  -6.613
  314   2HD   ARG  49          HD1       ARG  49  -4.666  -2.519  -5.215
  315    HE   ARG  49           HE       ARG  49  -7.384  -2.805  -4.742
  316   1HH1  ARG  49          HH11      ARG  49  -5.022  -3.936  -7.035
  317   2HH1  ARG  49          HH12      ARG  49  -5.841  -5.432  -7.339
  318   1HH2  ARG  49          HH21      ARG  49  -8.473  -4.771  -5.133
  319   2HH2  ARG  49          HH22      ARG  49  -7.804  -5.906  -6.257
  320    H    ALA  50           HN       ALA  50  -7.630   3.099  -4.492
  321    HA   ALA  50           HA       ALA  50  -9.569   1.691  -6.046
  322   1HB   ALA  50          HB1       ALA  50  -9.994   2.890  -3.866
  323   2HB   ALA  50          HB2       ALA  50 -11.165   3.188  -5.151
  324   3HB   ALA  50          HB3       ALA  50  -9.934   4.396  -4.783
  325    H    ARG  51           HN       ARG  51 -11.132   3.912  -6.926
  326    HA   ARG  51           HA       ARG  51  -9.541   5.332  -8.885
  327   1HB   ARG  51          HB2       ARG  51 -11.279   4.469 -10.674
  328   2HB   ARG  51          HB1       ARG  51  -9.817   3.559 -10.319
  329   1HG   ARG  51          HG2       ARG  51 -11.899   2.755  -8.530
  330   2HG   ARG  51          HG1       ARG  51 -12.476   2.674 -10.196
  331   1HD   ARG  51          HD2       ARG  51  -9.796   1.638  -9.992
  332   2HD   ARG  51          HD1       ARG  51 -10.867   0.817  -8.857
  333    HE   ARG  51           HE       ARG  51 -10.966   0.705 -11.749
  334   1HH1  ARG  51          HH11      ARG  51 -12.613   0.092  -8.743
  335   2HH1  ARG  51          HH12      ARG  51 -13.699  -1.072  -9.425
  336   1HH2  ARG  51          HH21      ARG  51 -12.391  -0.826 -12.659
  337   2HH2  ARG  51          HH22      ARG  51 -13.573  -1.594 -11.652
  338    H    GLY  52           HN       GLY  52 -12.910   4.624  -9.442
  339   1HA   GLY  52          HA2       GLY  52 -14.611   6.192  -9.749
  340   2HA   GLY  52          HA1       GLY  52 -14.414   6.268  -8.006
  341    H    ASP  53           HN       ASP  53 -13.305   8.000  -7.079
  342    HA   ASP  53           HA       ASP  53 -12.891  10.284  -8.894
  343   1HB   ASP  53          HB2       ASP  53 -14.766  10.331  -7.094
  344   2HB   ASP  53          HB1       ASP  53 -13.446  10.575  -5.955
  345    H    ASP  54           HN       ASP  54 -11.551   8.327  -6.365
  346    HA   ASP  54           HA       ASP  54  -8.964   9.610  -6.761
  347   1HB   ASP  54          HB2       ASP  54  -9.888   9.075  -3.949
  348   2HB   ASP  54          HB1       ASP  54  -8.538  10.065  -4.494
  349    H    LEU  55           HN       LEU  55  -7.754   8.232  -4.536
  350    HA   LEU  55           HA       LEU  55  -8.143   5.409  -5.242
  351   1HB   LEU  55          HB2       LEU  55  -5.383   6.537  -4.922
  352   2HB   LEU  55          HB1       LEU  55  -5.871   5.021  -5.656
  353    HG   LEU  55           HG       LEU  55  -5.128   6.501  -7.388
  354   1HD1  LEU  55          HD11      LEU  55  -6.728   5.509  -8.571
  355   2HD1  LEU  55          HD12      LEU  55  -7.697   6.959  -8.308
  356   3HD1  LEU  55          HD13      LEU  55  -7.866   5.578  -7.226
  357   1HD2  LEU  55          HD21      LEU  55  -5.451   8.705  -7.401
  358   2HD2  LEU  55          HD22      LEU  55  -6.108   8.518  -5.775
  359   3HD2  LEU  55          HD23      LEU  55  -7.190   8.530  -7.168
  360    H    ASP  56           HN       ASP  56  -8.578   4.351  -3.421
  361    HA   ASP  56           HA       ASP  56  -6.861   4.596  -1.130
  362   1HB   ASP  56          HB2       ASP  56  -9.767   5.184  -0.620
  363   2HB   ASP  56          HB1       ASP  56  -8.389   5.436   0.446
  364    H    ASP  57           HN       ASP  57  -7.746   3.173   0.710
  365    HA   ASP  57           HA       ASP  57  -9.629   1.248   0.583
  366   1HB   ASP  57          HB2       ASP  57  -7.468   0.676  -1.343
  367   2HB   ASP  57          HB1       ASP  57  -7.910  -0.665  -0.290
  368    H    TYR  58           HN       TYR  58  -9.086  -0.750   1.895
  369    HA   TYR  58           HA       TYR  58  -7.054  -0.024   3.890
  370   1HB   TYR  58          HB2       TYR  58  -9.669  -1.470   4.107
  371   2HB   TYR  58          HB1       TYR  58  -8.418  -1.709   5.324
  372    HD1  TYR  58           HD1      TYR  58  -9.182   1.416   3.508
  373    HD2  TYR  58           HD2      TYR  58  -9.392  -0.669   7.206
  374    HE1  TYR  58           HE1      TYR  58  -9.889   3.489   4.617
  375    HE2  TYR  58           HE2      TYR  58 -10.104   1.400   8.332
  376    HH   TYR  58           HH       TYR  58 -11.306   3.986   6.855
  377    H    CYS  59           HN       CYS  59  -5.778  -1.606   4.851
  378    HA   CYS  59           HA       CYS  59  -5.044  -3.766   3.042
  379   1HB   CYS  59          HB2       CYS  59  -3.753  -2.246   5.216
  380   2HB   CYS  59          HB1       CYS  59  -3.157  -3.862   4.915
  381    H    ASN  60           HN       ASN  60  -6.010  -5.663   3.369
  382    HA   ASN  60           HA       ASN  60  -6.303  -6.653   6.118
  383   1HB   ASN  60          HB2       ASN  60  -8.168  -7.490   3.919
  384   2HB   ASN  60          HB1       ASN  60  -8.403  -7.594   5.660
  385   1HD2  ASN  60          HD21      ASN  60  -7.461  -4.909   6.173
  386   2HD2  ASN  60          HD22      ASN  60  -8.694  -3.836   5.616
  387    H    GLY  61           HN       GLY  61  -6.747  -8.040   2.927
  388   1HA   GLY  61          HA2       GLY  61  -4.863 -10.194   3.622
  389   2HA   GLY  61          HA1       GLY  61  -6.040 -10.245   2.304
  390    H    ILE  62           HN       ILE  62  -3.967  -7.614   3.190
  391    HA   ILE  62           HA       ILE  62  -3.040  -7.250   0.512
  392    HB   ILE  62           HB       ILE  62  -1.795  -5.311   1.597
  393   1HG1  ILE  62          HG12      ILE  62  -2.111  -4.766   3.793
  394   2HG1  ILE  62          HG11      ILE  62  -3.678  -5.549   3.888
  395   1HG2  ILE  62          HG21      ILE  62  -4.767  -5.295   2.021
  396   2HG2  ILE  62          HG22      ILE  62  -4.033  -5.276   0.419
  397   3HG2  ILE  62          HG23      ILE  62  -3.723  -3.957   1.544
  398   1HD1  ILE  62          HD11      ILE  62  -2.448  -6.870   5.265
  399   2HD1  ILE  62          HD12      ILE  62  -0.965  -6.635   4.359
  400   3HD1  ILE  62          HD13      ILE  62  -2.195  -7.729   3.755
  401    H    SER  63           HN       SER  63  -1.674  -9.129   0.193
  402    HA   SER  63           HA       SER  63   0.859  -9.052   1.675
  403   1HB   SER  63          HB2       SER  63   1.308 -11.139   0.202
  404   2HB   SER  63          HB1       SER  63   0.172 -11.287   1.542
  405    HG   SER  63           HG       SER  63  -0.476 -10.879  -1.192
  406    H    ALA  64           HN       ALA  64   0.271  -6.916   0.161
  407    HA   ALA  64           HA       ALA  64   1.579  -5.545  -1.160
  408   1HB   ALA  64          HB1       ALA  64   3.384  -6.263  -2.262
  409   2HB   ALA  64          HB2       ALA  64   2.538  -7.613  -3.003
  410   3HB   ALA  64          HB3       ALA  64   3.131  -7.741  -1.348
  411    H    GLY  65           HN       GLY  65  -1.064  -7.006  -1.423
  412   1HA   GLY  65          HA2       GLY  65  -1.638  -6.129  -4.177
  413   2HA   GLY  65          HA1       GLY  65  -2.317  -7.619  -3.529
  414    H    CYS  66           HN       CYS  66  -4.328  -7.446  -2.773
  415    HA   CYS  66           HA       CYS  66  -5.166  -5.368  -1.035
  416   1HB   CYS  66          HB2       CYS  66  -5.955  -5.181  -3.917
  417   2HB   CYS  66          HB1       CYS  66  -7.075  -4.646  -2.669
  418    HA   PRO  67           HA       PRO  67  -7.982  -8.484   0.291
  419   1HB   PRO  67          HB2       PRO  67  -9.861  -6.218   0.731
  420   2HB   PRO  67          HB1       PRO  67  -9.326  -7.471   1.856
  421   1HG   PRO  67          HG2       PRO  67  -8.387  -4.980   2.025
  422   2HG   PRO  67          HG1       PRO  67  -7.348  -6.380   2.337
  423   1HD   PRO  67          HD2       PRO  67  -7.451  -4.589  -0.037
  424   2HD   PRO  67          HD1       PRO  67  -6.063  -5.409   0.702
  425    H    ARG  68           HN       ARG  68 -10.881  -7.798   0.179
  426    HA   ARG  68           HA       ARG  68 -11.307  -8.555  -2.617
  427   1HB   ARG  68          HB2       ARG  68 -13.129  -8.722  -0.211
  428   2HB   ARG  68          HB1       ARG  68 -13.580  -9.215  -1.837
  429   1HG   ARG  68          HG2       ARG  68 -11.124 -10.484  -1.109
  430   2HG   ARG  68          HG1       ARG  68 -12.328 -10.748   0.154
  431   1HD   ARG  68          HD2       ARG  68 -13.171 -11.093  -2.675
  432   2HD   ARG  68          HD1       ARG  68 -12.136 -12.332  -1.965
  433    HE   ARG  68           HE       ARG  68 -14.480 -11.598  -0.422
  434   1HH1  ARG  68          HH11      ARG  68 -13.050 -13.777  -2.732
  435   2HH1  ARG  68          HH12      ARG  68 -14.192 -15.045  -2.438
  436   1HH2  ARG  68          HH21      ARG  68 -15.990 -13.262  -0.026
  437   2HH2  ARG  68          HH22      ARG  68 -15.864 -14.752  -0.900
  438    H    ASN  69           HN       ASN  69 -13.084  -6.593  -0.220
  439    HA   ASN  69           HA       ASN  69 -14.007  -4.872  -2.400
  440   1HB   ASN  69          HB2       ASN  69 -14.904  -5.023   0.486
  441   2HB   ASN  69          HB1       ASN  69 -15.623  -4.000  -0.754
  442   1HD2  ASN  69          HD21      ASN  69 -15.699  -5.689  -2.896
  443   2HD2  ASN  69          HD22      ASN  69 -16.770  -7.004  -2.566
  444    HA   PRO  70           HA       PRO  70 -11.261  -1.602  -1.300
  445   1HB   PRO  70          HB2       PRO  70 -12.645   0.520  -2.259
  446   2HB   PRO  70          HB1       PRO  70 -11.843  -0.651  -3.312
  447   1HG   PRO  70          HG2       PRO  70 -14.728  -0.466  -2.537
  448   2HG   PRO  70          HG1       PRO  70 -14.016  -0.794  -4.127
  449   1HD   PRO  70          HD2       PRO  70 -14.999  -2.751  -2.525
  450   2HD   PRO  70          HD1       PRO  70 -13.647  -3.014  -3.644
  451    H    PHE  71           HN       PHE  71 -11.416   0.720  -0.320
  452    HA   PHE  71           HA       PHE  71 -13.461   0.845   1.777
  453   1HB   PHE  71          HB2       PHE  71 -10.479   1.005   2.230
  454   2HB   PHE  71          HB1       PHE  71 -11.686   1.457   3.430
  455    HD1  PHE  71           HD1      PHE  71 -10.921  -1.418   1.173
  456    HD2  PHE  71           HD2      PHE  71 -12.204  -0.113   5.015
  457    HE1  PHE  71           HE1      PHE  71 -11.040  -3.758   1.924
  458    HE2  PHE  71           HE2      PHE  71 -12.324  -2.451   5.773
  459    HZ   PHE  71           HZ       PHE  71 -11.741  -4.277   4.227
  460    H    HIS  72           HN       HIS  72 -12.325   2.317  -0.780
  461    HA   HIS  72           HA       HIS  72 -11.744   4.949   0.190
  462   1HB   HIS  72          HB2       HIS  72 -10.800   4.322  -1.919
  463   2HB   HIS  72          HB1       HIS  72 -12.375   3.869  -2.559
  464    HD1  HIS  72           HD1      HIS  72 -12.217   7.068  -0.708
  465    HD2  HIS  72           HD2      HIS  72 -11.933   5.764  -4.643
  466    HE1  HIS  72           HE1      HIS  72 -12.450   9.136  -2.120
  467    HE2  HIS  72           HE2      HIS  72 -12.362   8.310  -4.499
  468    H    ALA  73           HN       ALA  73 -13.180   6.352   0.940
  469    HA   ALA  73           HA       ALA  73 -15.462   7.230  -0.297
  470   1HB   ALA  73          HB1       ALA  73 -16.869   5.496  -0.134
  471   2HB   ALA  73          HB2       ALA  73 -17.025   5.970   1.558
  472   3HB   ALA  73          HB3       ALA  73 -15.892   4.698   1.099
  Start of MODEL    6
    1   1H    GLU   1           HT1      GLU   1  -1.176   6.327  10.471
    2   2H    GLU   1           HT2      GLU   1  -1.014   7.036  12.026
    3   3H    GLU   1           HT3      GLU   1  -2.420   6.133  11.635
    4    HA   GLU   1           HA       GLU   1   0.304   5.209  12.156
    5   1HB   GLU   1          HB2       GLU   1  -2.046   5.390  13.625
    6   2HB   GLU   1          HB1       GLU   1  -2.001   3.705  13.124
    7   1HG   GLU   1          HG2       GLU   1   0.570   4.160  13.971
    8   2HG   GLU   1          HG1       GLU   1  -0.397   5.114  15.095
    9    H    ALA   2           HN       ALA   2  -2.676   4.495  10.433
   10    HA   ALA   2           HA       ALA   2  -1.895   1.850   9.660
   11   1HB   ALA   2          HB1       ALA   2  -4.229   2.323   9.817
   12   2HB   ALA   2          HB2       ALA   2  -3.859   2.025   8.119
   13   3HB   ALA   2          HB3       ALA   2  -4.088   3.676   8.695
   14    H    GLY   3           HN       GLY   3  -1.163   4.989   8.558
   15   1HA   GLY   3          HA2       GLY   3   0.829   4.485   6.855
   16   2HA   GLY   3          HA1       GLY   3  -0.565   4.174   5.831
   17    H    GLU   4           HN       GLU   4  -1.433   5.868   4.754
   18    HA   GLU   4           HA       GLU   4  -1.335   8.004   3.864
   19   1HB   GLU   4          HB2       GLU   4  -2.235   8.798   6.619
   20   2HB   GLU   4          HB1       GLU   4  -2.768   9.425   5.066
   21   1HG   GLU   4          HG2       GLU   4  -3.658   7.027   4.678
   22   2HG   GLU   4          HG1       GLU   4  -3.514   6.877   6.429
   23    H    GLU   5           HN       GLU   5   1.244   7.369   4.707
   24    HA   GLU   5           HA       GLU   5   2.248  10.031   5.277
   25   1HB   GLU   5          HB2       GLU   5   2.829   7.664   7.060
   26   2HB   GLU   5          HB1       GLU   5   3.803   9.128   7.048
   27   1HG   GLU   5          HG2       GLU   5   1.368  10.202   7.403
   28   2HG   GLU   5          HG1       GLU   5   1.128   8.636   8.177
   29    H    CYS   6           HN       CYS   6   3.024   9.903   3.137
   30    HA   CYS   6           HA       CYS   6   5.658   9.110   2.822
   31   1HB   CYS   6          HB2       CYS   6   4.850   6.811   2.958
   32   2HB   CYS   6          HB1       CYS   6   3.713   7.115   1.650
   33    H    ASP   7           HN       ASP   7   6.433   9.303   0.576
   34    HA   ASP   7           HA       ASP   7   4.544  10.745  -1.154
   35   1HB   ASP   7          HB2       ASP   7   7.290  11.599  -0.280
   36   2HB   ASP   7          HB1       ASP   7   6.581  12.201  -1.775
   37    H    CYS   8           HN       CYS   8   6.976   8.352  -0.882
   38    HA   CYS   8           HA       CYS   8   7.961   8.399  -3.544
   39   1HB   CYS   8          HB2       CYS   8   7.845   6.174  -1.523
   40   2HB   CYS   8          HB1       CYS   8   8.646   6.067  -3.078
   41    H    GLY   9           HN       GLY   9   4.874   7.770  -2.547
   42   1HA   GLY   9          HA2       GLY   9   3.152   7.089  -4.024
   43   2HA   GLY   9          HA1       GLY   9   4.344   6.181  -4.948
   44    H    SER  10           HN       SER  10   2.160   4.770  -4.460
   45    HA   SER  10           HA       SER  10   3.076   2.953  -2.393
   46   1HB   SER  10          HB2       SER  10   0.420   4.293  -2.458
   47   2HB   SER  10          HB1       SER  10   0.562   2.676  -1.778
   48    HG   SER  10           HG       SER  10   1.294   5.053  -0.724
   49    HA   PRO  11           HA       PRO  11   0.215   0.188  -4.971
   50   1HB   PRO  11          HB2       PRO  11  -1.377   1.360  -6.844
   51   2HB   PRO  11          HB1       PRO  11  -1.879   1.064  -5.177
   52   1HG   PRO  11          HG2       PRO  11  -0.864   3.586  -6.430
   53   2HG   PRO  11          HG1       PRO  11  -2.213   3.362  -5.299
   54   1HD   PRO  11          HD2       PRO  11   0.200   4.248  -4.486
   55   2HD   PRO  11          HD1       PRO  11  -0.811   3.205  -3.463
   56    H    GLY  12           HN       GLY  12   2.104  -0.519  -5.956
   57   1HA   GLY  12          HA2       GLY  12   3.136  -1.095  -8.008
   58   2HA   GLY  12          HA1       GLY  12   2.395   0.316  -8.756
   59    H    ASN  13           HN       ASN  13   3.278   1.809  -6.255
   60    HA   ASN  13           HA       ASN  13   6.128   2.116  -6.906
   61   1HB   ASN  13          HB2       ASN  13   4.150   4.333  -6.300
   62   2HB   ASN  13          HB1       ASN  13   5.882   4.549  -6.536
   63   1HD2  ASN  13          HD21      ASN  13   3.105   5.085  -7.986
   64   2HD2  ASN  13          HD22      ASN  13   3.534   4.845  -9.642
   65    HA   PRO  14           HA       PRO  14   4.794   0.781  -2.452
   66   1HB   PRO  14          HB2       PRO  14   7.494  -0.324  -2.704
   67   2HB   PRO  14          HB1       PRO  14   5.986  -1.137  -2.287
   68   1HG   PRO  14          HG2       PRO  14   7.321  -0.969  -4.865
   69   2HG   PRO  14          HG1       PRO  14   5.951  -1.979  -4.390
   70   1HD   PRO  14          HD2       PRO  14   5.742   0.072  -6.146
   71   2HD   PRO  14          HD1       PRO  14   4.403  -0.434  -5.092
   72    H    CYS  15           HN       CYS  15   4.904   2.797  -1.575
   73    HA   CYS  15           HA       CYS  15   6.138   4.867  -1.210
   74   1HB   CYS  15          HB2       CYS  15   5.036   3.872   0.734
   75   2HB   CYS  15          HB1       CYS  15   6.474   2.933   1.085
   76    H    CYS  16           HN       CYS  16   7.885   4.340  -2.876
   77    HA   CYS  16           HA       CYS  16  10.098   5.134  -3.012
   78   1HB   CYS  16          HB2       CYS  16  10.622   3.563  -0.501
   79   2HB   CYS  16          HB1       CYS  16  11.823   4.475  -1.399
   80    H    ASP  17           HN       ASP  17  11.159   4.345  -4.601
   81    HA   ASP  17           HA       ASP  17  12.258   1.741  -4.716
   82   1HB   ASP  17          HB2       ASP  17  10.867   1.133  -6.828
   83   2HB   ASP  17          HB1       ASP  17  10.180   0.820  -5.238
   84    H    ALA  18           HN       ALA  18  13.777   3.637  -4.978
   85    HA   ALA  18           HA       ALA  18  14.263   5.469  -6.697
   86   1HB   ALA  18          HB1       ALA  18  16.335   3.348  -6.858
   87   2HB   ALA  18          HB2       ALA  18  15.933   4.020  -5.278
   88   3HB   ALA  18          HB3       ALA  18  16.503   5.079  -6.567
   89    H    ALA  19           HN       ALA  19  14.288   2.092  -7.794
   90    HA   ALA  19           HA       ALA  19  13.940   3.119 -10.528
   91   1HB   ALA  19          HB1       ALA  19  15.641   0.752  -9.798
   92   2HB   ALA  19          HB2       ALA  19  16.265   2.375 -10.088
   93   3HB   ALA  19          HB3       ALA  19  15.462   1.494 -11.388
   94    H    THR  20           HN       THR  20  13.154   0.699  -8.162
   95    HA   THR  20           HA       THR  20  10.762  -0.014  -9.483
   96    HB   THR  20           HB       THR  20  12.099  -1.309 -10.979
   97    HG1  THR  20           HG1      THR  20  11.252  -3.145  -9.002
   98   1HG2  THR  20          HG21      THR  20  14.155  -1.865 -10.352
   99   2HG2  THR  20          HG22      THR  20  13.406  -3.265  -9.584
  100   3HG2  THR  20          HG23      THR  20  13.744  -1.815  -8.638
  101    H    CYS  21           HN       CYS  21   9.571  -1.700  -8.283
  102    HA   CYS  21           HA       CYS  21   9.223  -1.305  -5.701
  103   1HB   CYS  21          HB2       CYS  21   9.193  -3.986  -7.090
  104   2HB   CYS  21          HB1       CYS  21   8.547  -3.732  -5.475
  105    H    LYS  22           HN       LYS  22  11.138  -0.700  -4.645
  106    HA   LYS  22           HA       LYS  22  12.354  -2.726  -3.100
  107   1HB   LYS  22          HB2       LYS  22  13.715  -3.296  -4.939
  108   2HB   LYS  22          HB1       LYS  22  13.945  -1.615  -5.399
  109   1HG   LYS  22          HG2       LYS  22  15.620  -1.292  -3.917
  110   2HG   LYS  22          HG1       LYS  22  14.930  -2.398  -2.728
  111   1HD   LYS  22          HD2       LYS  22  15.841  -4.271  -3.755
  112   2HD   LYS  22          HD1       LYS  22  16.043  -3.446  -5.302
  113   1HE   LYS  22          HE2       LYS  22  17.549  -2.484  -2.911
  114   2HE   LYS  22          HE1       LYS  22  18.110  -3.919  -3.768
  115   1HZ   LYS  22          HZ1       LYS  22  17.793  -1.177  -4.847
  116   2HZ   LYS  22          HZ2       LYS  22  18.041  -2.529  -5.833
  117   3HZ   LYS  22          HZ3       LYS  22  19.219  -2.077  -4.706
  118    H    LEU  23           HN       LEU  23  12.823  -1.782  -1.191
  119    HA   LEU  23           HA       LEU  23  14.110   0.783  -1.053
  120   1HB   LEU  23          HB2       LEU  23  12.393   1.990   0.087
  121   2HB   LEU  23          HB1       LEU  23  11.737   1.400  -1.428
  122    HG   LEU  23           HG       LEU  23  11.208   0.289   1.325
  123   1HD1  LEU  23          HD11      LEU  23   8.909   0.945   0.835
  124   2HD1  LEU  23          HD12      LEU  23   9.436   1.646  -0.694
  125   3HD1  LEU  23          HD13      LEU  23  10.004   2.324   0.832
  126   1HD2  LEU  23          HD21      LEU  23   9.579  -1.177   0.051
  127   2HD2  LEU  23          HD22      LEU  23  11.286  -1.599  -0.082
  128   3HD2  LEU  23          HD23      LEU  23  10.483  -0.747  -1.401
  129    H    ARG  24           HN       ARG  24  14.711   1.401   1.091
  130    HA   ARG  24           HA       ARG  24  15.095  -0.889   2.832
  131   1HB   ARG  24          HB2       ARG  24  16.095   1.957   3.065
  132   2HB   ARG  24          HB1       ARG  24  16.550   0.634   4.130
  133   1HG   ARG  24          HG2       ARG  24  17.206   0.970   1.219
  134   2HG   ARG  24          HG1       ARG  24  18.317   0.913   2.590
  135   1HD   ARG  24          HD2       ARG  24  17.101  -1.461   2.891
  136   2HD   ARG  24          HD1       ARG  24  16.963  -1.279   1.143
  137    HE   ARG  24           HE       ARG  24  19.392  -1.668   2.675
  138   1HH1  ARG  24          HH11      ARG  24  17.958  -0.777  -0.370
  139   2HH1  ARG  24          HH12      ARG  24  19.392  -1.094  -1.287
  140   1HH2  ARG  24          HH21      ARG  24  21.288  -2.088   1.479
  141   2HH2  ARG  24          HH22      ARG  24  21.287  -1.841  -0.235
  142    H    GLN  25           HN       GLN  25  12.952   1.675   2.454
  143    HA   GLN  25           HA       GLN  25  12.053   1.526   5.250
  144   1HB   GLN  25          HB2       GLN  25  12.580   3.761   3.813
  145   2HB   GLN  25          HB1       GLN  25  10.875   3.552   3.440
  146   1HG   GLN  25          HG2       GLN  25  12.183   4.096   6.065
  147   2HG   GLN  25          HG1       GLN  25  10.834   4.927   5.290
  148   1HE2  GLN  25          HE21      GLN  25  11.807   2.056   7.035
  149   2HE2  GLN  25          HE22      GLN  25  10.225   1.604   7.562
  150    H    GLY  26           HN       GLY  26  11.251  -0.617   4.504
  151   1HA   GLY  26          HA2       GLY  26   9.579  -1.561   2.812
  152   2HA   GLY  26          HA1       GLY  26   9.153  -1.715   4.504
  153    H    ALA  27           HN       ALA  27   8.180  -0.658   1.514
  154    HA   ALA  27           HA       ALA  27   6.371   1.410   2.327
  155   1HB   ALA  27          HB1       ALA  27   5.639   1.236  -0.080
  156   2HB   ALA  27          HB2       ALA  27   6.858  -0.021  -0.279
  157   3HB   ALA  27          HB3       ALA  27   7.343   1.614   0.162
  158    H    GLN  28           HN       GLN  28   6.130  -1.473   3.367
  159    HA   GLN  28           HA       GLN  28   3.968  -2.804   2.281
  160   1HB   GLN  28          HB2       GLN  28   4.232  -2.707   5.248
  161   2HB   GLN  28          HB1       GLN  28   3.887  -4.072   4.198
  162   1HG   GLN  28          HG2       GLN  28   5.972  -4.663   4.511
  163   2HG   GLN  28          HG1       GLN  28   6.401  -3.335   3.432
  164   1HE2  GLN  28          HE21      GLN  28   6.325  -4.470   6.694
  165   2HE2  GLN  28          HE22      GLN  28   7.249  -3.186   7.389
  166    H    CYS  29           HN       CYS  29   2.108  -1.857   1.761
  167    HA   CYS  29           HA       CYS  29   0.176  -0.622   1.931
  168   1HB   CYS  29          HB2       CYS  29   0.449  -1.675   4.756
  169   2HB   CYS  29          HB1       CYS  29  -0.981  -0.832   4.173
  170    H    ALA  30           HN       ALA  30   2.534   0.794   2.072
  171    HA   ALA  30           HA       ALA  30   2.778   2.547   4.250
  172   1HB   ALA  30          HB1       ALA  30   4.119   3.940   2.779
  173   2HB   ALA  30          HB2       ALA  30   3.496   3.076   1.373
  174   3HB   ALA  30          HB3       ALA  30   4.514   2.238   2.544
  175    H    GLU  31           HN       GLU  31   2.662   5.023   2.322
  176    HA   GLU  31           HA       GLU  31   0.392   6.248   3.234
  177   1HB   GLU  31          HB2       GLU  31   1.934   7.528   1.907
  178   2HB   GLU  31          HB1       GLU  31   1.704   6.477   0.516
  179   1HG   GLU  31          HG2       GLU  31   0.219   7.941  -0.221
  180   2HG   GLU  31          HG1       GLU  31  -0.837   7.427   1.094
  181    H    GLY  32           HN       GLY  32   0.796   3.854   0.812
  182   1HA   GLY  32          HA2       GLY  32  -2.054   3.315   0.811
  183   2HA   GLY  32          HA1       GLY  32  -1.297   3.630  -0.751
  184    H    LEU  33           HN       LEU  33  -1.146   1.720  -1.739
  185    HA   LEU  33           HA       LEU  33  -0.497  -0.660  -0.220
  186   1HB   LEU  33          HB2       LEU  33  -2.226  -0.412  -2.119
  187   2HB   LEU  33          HB1       LEU  33  -0.847  -0.495  -3.197
  188    HG   LEU  33           HG       LEU  33  -2.247  -2.634  -2.568
  189   1HD1  LEU  33          HD11      LEU  33   0.350  -2.074  -3.540
  190   2HD1  LEU  33          HD12      LEU  33  -0.693  -3.448  -3.900
  191   3HD1  LEU  33          HD13      LEU  33   0.427  -3.521  -2.545
  192   1HD2  LEU  33          HD21      LEU  33  -1.094  -3.912  -0.778
  193   2HD2  LEU  33          HD22      LEU  33  -1.966  -2.505  -0.171
  194   3HD2  LEU  33          HD23      LEU  33  -0.215  -2.451  -0.338
  195    H    CYS  34           HN       CYS  34   1.152  -2.226  -1.448
  196    HA   CYS  34           HA       CYS  34   3.452  -0.751  -2.475
  197   1HB   CYS  34          HB2       CYS  34   4.804  -1.239  -0.768
  198   2HB   CYS  34          HB1       CYS  34   3.367  -1.706   0.119
  199    H    CYS  35           HN       CYS  35   5.246  -2.741  -2.865
  200    HA   CYS  35           HA       CYS  35   3.942  -4.971  -4.107
  201   1HB   CYS  35          HB2       CYS  35   3.699  -3.959  -6.109
  202   2HB   CYS  35          HB1       CYS  35   4.762  -2.638  -5.655
  203    H    ASP  36           HN       ASP  36   6.879  -3.231  -3.498
  204    HA   ASP  36           HA       ASP  36   8.666  -5.290  -4.225
  205   1HB   ASP  36          HB2       ASP  36  10.365  -3.886  -3.425
  206   2HB   ASP  36          HB1       ASP  36   9.110  -2.793  -3.992
  207    H    GLN  37           HN       GLN  37  10.443  -5.699  -2.318
  208    HA   GLN  37           HA       GLN  37   9.493  -7.793  -0.830
  209   1HB   GLN  37          HB2       GLN  37  11.809  -5.947  -0.229
  210   2HB   GLN  37          HB1       GLN  37  11.519  -7.463   0.615
  211   1HG   GLN  37          HG2       GLN  37  12.365  -7.006  -2.211
  212   2HG   GLN  37          HG1       GLN  37  13.093  -8.034  -0.977
  213   1HE2  GLN  37          HE21      GLN  37  11.727  -9.886  -0.261
  214   2HE2  GLN  37          HE22      GLN  37  10.815 -10.717  -1.471
  215    H    CYS  38           HN       CYS  38   9.139  -4.440  -0.285
  216    HA   CYS  38           HA       CYS  38   8.919  -3.753   2.200
  217   1HB   CYS  38          HB2       CYS  38   6.401  -2.985   1.614
  218   2HB   CYS  38          HB1       CYS  38   7.821  -2.184   0.975
  219    H    ARG  39           HN       ARG  39   6.209  -5.567   0.827
  220    HA   ARG  39           HA       ARG  39   5.217  -7.495   1.749
  221   1HB   ARG  39          HB2       ARG  39   7.164  -7.390   3.535
  222   2HB   ARG  39          HB1       ARG  39   5.908  -6.688   4.545
  223   1HG   ARG  39          HG2       ARG  39   4.977  -8.669   4.914
  224   2HG   ARG  39          HG1       ARG  39   4.983  -9.073   3.196
  225   1HD   ARG  39          HD2       ARG  39   7.170  -9.947   3.306
  226   2HD   ARG  39          HD1       ARG  39   7.462  -9.223   4.887
  227    HE   ARG  39           HE       ARG  39   5.327 -11.179   4.780
  228   1HH1  ARG  39          HH11      ARG  39   8.693 -10.553   5.409
  229   2HH1  ARG  39          HH12      ARG  39   8.909 -11.969   6.383
  230   1HH2  ARG  39          HH21      ARG  39   5.598 -13.046   6.062
  231   2HH2  ARG  39          HH22      ARG  39   7.148 -13.387   6.755
  232    H    PHE  40           HN       PHE  40   3.661  -7.422   4.164
  233    HA   PHE  40           HA       PHE  40   2.253  -4.905   4.170
  234   1HB   PHE  40          HB2       PHE  40   0.750  -7.323   3.186
  235   2HB   PHE  40          HB1       PHE  40   0.203  -5.645   3.225
  236    HD1  PHE  40           HD1      PHE  40   0.869  -4.079   1.543
  237    HD2  PHE  40           HD2      PHE  40   2.430  -8.039   1.551
  238    HE1  PHE  40           HE1      PHE  40   1.811  -3.720  -0.680
  239    HE2  PHE  40           HE2      PHE  40   3.368  -7.679  -0.680
  240    HZ   PHE  40           HZ       PHE  40   3.059  -5.509  -1.798
  241    H    MET  41           HN       MET  41   0.350  -4.912   5.575
  242    HA   MET  41           HA       MET  41   0.973  -5.973   8.081
  243   1HB   MET  41          HB2       MET  41  -0.245  -3.890   7.818
  244   2HB   MET  41          HB1       MET  41  -1.587  -4.738   7.064
  245   1HG   MET  41          HG2       MET  41  -2.503  -4.868   9.075
  246   2HG   MET  41          HG1       MET  41  -1.246  -6.030   9.491
  247   1HE   MET  41          HE1       MET  41   1.366  -4.680  10.991
  248   2HE   MET  41          HE2       MET  41   0.164  -5.971  11.014
  249   3HE   MET  41          HE3       MET  41   0.236  -4.810  12.339
  250    H    LYS  42           HN       LYS  42  -2.359  -6.389   7.277
  251    HA   LYS  42           HA       LYS  42  -2.804  -8.851   6.440
  252   1HB   LYS  42          HB2       LYS  42  -1.354  -9.026   8.966
  253   2HB   LYS  42          HB1       LYS  42  -2.876  -9.905   8.997
  254   1HG   LYS  42          HG2       LYS  42  -0.584 -10.291   7.091
  255   2HG   LYS  42          HG1       LYS  42  -1.170 -11.416   8.318
  256   1HD   LYS  42          HD2       LYS  42  -3.363 -11.449   7.069
  257   2HD   LYS  42          HD1       LYS  42  -2.548 -10.568   5.776
  258   1HE   LYS  42          HE2       LYS  42  -2.704 -13.246   5.872
  259   2HE   LYS  42          HE1       LYS  42  -1.381 -12.376   5.098
  260   1HZ   LYS  42          HZ1       LYS  42  -0.032 -12.658   7.014
  261   2HZ   LYS  42          HZ2       LYS  42  -0.680 -14.175   6.642
  262   3HZ   LYS  42          HZ3       LYS  42  -1.318 -13.275   7.924
  263    H    GLU  43           HN       GLU  43  -3.387  -6.492   8.823
  264    HA   GLU  43           HA       GLU  43  -6.254  -7.163   8.850
  265   1HB   GLU  43          HB2       GLU  43  -5.307  -7.483  11.071
  266   2HB   GLU  43          HB1       GLU  43  -4.600  -5.873  11.030
  267   1HG   GLU  43          HG2       GLU  43  -7.131  -5.186  10.646
  268   2HG   GLU  43          HG1       GLU  43  -7.403  -6.708  11.492
  269    H    GLY  44           HN       GLY  44  -7.543  -5.690   8.000
  270   1HA   GLY  44          HA2       GLY  44  -7.358  -3.756   6.401
  271   2HA   GLY  44          HA1       GLY  44  -8.325  -3.414   7.821
  272    H    THR  45           HN       THR  45  -5.066  -3.166   6.475
  273    HA   THR  45           HA       THR  45  -4.459  -1.034   8.358
  274    HB   THR  45           HB       THR  45  -2.665  -2.034   6.180
  275    HG1  THR  45           HG1      THR  45  -3.551  -3.732   7.621
  276   1HG2  THR  45          HG21      THR  45  -0.927  -1.137   7.331
  277   2HG2  THR  45          HG22      THR  45  -1.746  -1.273   8.887
  278   3HG2  THR  45          HG23      THR  45  -2.197   0.008   7.762
  279    H    ILE  46           HN       ILE  46  -3.812  -1.316   4.906
  280    HA   ILE  46           HA       ILE  46  -5.476   0.661   3.990
  281    HB   ILE  46           HB       ILE  46  -3.365   1.785   5.532
  282   1HG1  ILE  46          HG12      ILE  46  -4.797   3.808   4.183
  283   2HG1  ILE  46          HG11      ILE  46  -5.915   2.467   4.414
  284   1HG2  ILE  46          HG21      ILE  46  -3.131   2.330   2.599
  285   2HG2  ILE  46          HG22      ILE  46  -1.861   2.016   3.780
  286   3HG2  ILE  46          HG23      ILE  46  -2.709   3.562   3.788
  287   1HD1  ILE  46          HD11      ILE  46  -5.974   2.729   6.649
  288   2HD1  ILE  46          HD12      ILE  46  -5.509   4.378   6.232
  289   3HD1  ILE  46          HD13      ILE  46  -4.284   3.221   6.748
  290    H    CYS  47           HN       CYS  47  -5.625  -0.456   2.133
  291    HA   CYS  47           HA       CYS  47  -3.217  -1.048   0.587
  292   1HB   CYS  47          HB2       CYS  47  -4.915  -2.815   0.910
  293   2HB   CYS  47          HB1       CYS  47  -6.075  -1.826   0.028
  294    H    ARG  48           HN       ARG  48  -4.728   1.608   1.017
  295    HA   ARG  48           HA       ARG  48  -6.021   2.867  -0.805
  296   1HB   ARG  48          HB2       ARG  48  -3.242   3.894  -0.386
  297   2HB   ARG  48          HB1       ARG  48  -4.712   4.812  -0.619
  298   1HG   ARG  48          HG2       ARG  48  -5.114   3.253   1.684
  299   2HG   ARG  48          HG1       ARG  48  -3.499   3.952   1.810
  300   1HD   ARG  48          HD2       ARG  48  -5.790   5.670   0.971
  301   2HD   ARG  48          HD1       ARG  48  -5.585   5.269   2.676
  302    HE   ARG  48           HE       ARG  48  -3.182   6.254   1.473
  303   1HH1  ARG  48          HH11      ARG  48  -6.211   7.183   2.917
  304   2HH1  ARG  48          HH12      ARG  48  -5.642   8.738   3.424
  305   1HH2  ARG  48          HH21      ARG  48  -2.421   8.301   2.135
  306   2HH2  ARG  48          HH22      ARG  48  -3.487   9.375   2.978
  307    H    ARG  49           HN       ARG  49  -6.339   2.734  -2.894
  308    HA   ARG  49           HA       ARG  49  -4.328   3.276  -4.789
  309   1HB   ARG  49          HB2       ARG  49  -4.297   1.111  -5.982
  310   2HB   ARG  49          HB1       ARG  49  -3.571   1.021  -4.383
  311   1HG   ARG  49          HG2       ARG  49  -4.844  -0.906  -4.545
  312   2HG   ARG  49          HG1       ARG  49  -5.846   0.191  -3.591
  313   1HD   ARG  49          HD2       ARG  49  -7.031  -1.094  -5.420
  314   2HD   ARG  49          HD1       ARG  49  -7.254   0.655  -5.431
  315    HE   ARG  49           HE       ARG  49  -6.117   0.765  -7.427
  316   1HH1  ARG  49          HH11      ARG  49  -5.747  -2.405  -6.032
  317   2HH1  ARG  49          HH12      ARG  49  -5.028  -3.088  -7.452
  318   1HH2  ARG  49          HH21      ARG  49  -5.172  -0.125  -9.303
  319   2HH2  ARG  49          HH22      ARG  49  -4.701  -1.792  -9.311
  320    H    ALA  50           HN       ALA  50  -7.045   4.024  -4.039
  321    HA   ALA  50           HA       ALA  50  -8.622   3.193  -6.357
  322   1HB   ALA  50          HB1       ALA  50 -10.510   3.824  -5.211
  323   2HB   ALA  50          HB2       ALA  50  -9.664   5.058  -4.277
  324   3HB   ALA  50          HB3       ALA  50  -9.453   3.353  -3.880
  325    H    ARG  51           HN       ARG  51 -10.161   5.196  -7.024
  326    HA   ARG  51           HA       ARG  51  -8.454   7.534  -7.508
  327   1HB   ARG  51          HB2       ARG  51  -8.201   6.402  -9.544
  328   2HB   ARG  51          HB1       ARG  51  -9.866   5.838  -9.544
  329   1HG   ARG  51          HG2       ARG  51 -10.694   7.882 -10.259
  330   2HG   ARG  51          HG1       ARG  51  -9.249   8.755  -9.746
  331   1HD   ARG  51          HD2       ARG  51  -9.541   8.405 -12.243
  332   2HD   ARG  51          HD1       ARG  51  -7.986   7.941 -11.555
  333    HE   ARG  51           HE       ARG  51  -8.407   5.798 -12.204
  334   1HH1  ARG  51          HH11      ARG  51 -11.429   7.519 -12.036
  335   2HH1  ARG  51          HH12      ARG  51 -12.361   6.208 -12.678
  336   1HH2  ARG  51          HH21      ARG  51  -9.624   4.063 -13.048
  337   2HH2  ARG  51          HH22      ARG  51 -11.335   4.243 -13.253
  338    H    GLY  52           HN       GLY  52 -11.571   6.842  -8.979
  339   1HA   GLY  52          HA2       GLY  52 -13.435   8.237  -9.028
  340   2HA   GLY  52          HA1       GLY  52 -13.454   7.774  -7.333
  341    H    ASP  53           HN       ASP  53 -13.144   9.298  -5.814
  342    HA   ASP  53           HA       ASP  53 -12.512  12.012  -6.764
  343   1HB   ASP  53          HB2       ASP  53 -14.794  11.401  -5.634
  344   2HB   ASP  53          HB1       ASP  53 -13.861  11.465  -4.142
  345    H    ASP  54           HN       ASP  54 -11.465   9.437  -4.807
  346    HA   ASP  54           HA       ASP  54  -9.133  10.925  -3.985
  347   1HB   ASP  54          HB2       ASP  54 -10.699   9.580  -1.794
  348   2HB   ASP  54          HB1       ASP  54  -9.379  10.737  -1.651
  349    H    LEU  55           HN       LEU  55  -8.010   9.222  -2.202
  350    HA   LEU  55           HA       LEU  55  -8.003   6.622  -3.591
  351   1HB   LEU  55          HB2       LEU  55  -5.549   7.781  -2.314
  352   2HB   LEU  55          HB1       LEU  55  -5.665   6.505  -3.511
  353    HG   LEU  55           HG       LEU  55  -5.778   9.465  -3.889
  354   1HD1  LEU  55          HD11      LEU  55  -4.490   7.280  -5.512
  355   2HD1  LEU  55          HD12      LEU  55  -3.691   8.144  -4.199
  356   3HD1  LEU  55          HD13      LEU  55  -4.213   9.017  -5.640
  357   1HD2  LEU  55          HD21      LEU  55  -6.479   8.345  -6.341
  358   2HD2  LEU  55          HD22      LEU  55  -7.495   9.338  -5.295
  359   3HD2  LEU  55          HD23      LEU  55  -7.549   7.579  -5.167
  360    H    ASP  56           HN       ASP  56  -8.767   5.112  -2.260
  361    HA   ASP  56           HA       ASP  56  -7.743   5.003   0.474
  362   1HB   ASP  56          HB2       ASP  56 -10.633   5.226  -0.303
  363   2HB   ASP  56          HB1       ASP  56 -10.173   4.362   1.161
  364    H    ASP  57           HN       ASP  57  -8.334   2.916   1.547
  365    HA   ASP  57           HA       ASP  57  -9.361   0.655   0.538
  366   1HB   ASP  57          HB2       ASP  57  -7.096   1.396  -1.081
  367   2HB   ASP  57          HB1       ASP  57  -6.783  -0.138  -0.282
  368    H    TYR  58           HN       TYR  58  -8.831  -1.206   1.756
  369    HA   TYR  58           HA       TYR  58  -7.065  -0.648   4.042
  370   1HB   TYR  58          HB2       TYR  58  -9.564  -2.275   3.746
  371   2HB   TYR  58          HB1       TYR  58  -8.427  -2.642   5.039
  372    HD1  TYR  58           HD1      TYR  58  -7.679  -0.537   6.465
  373    HD2  TYR  58           HD2      TYR  58 -11.258  -0.764   4.175
  374    HE1  TYR  58           HE1      TYR  58  -8.667   1.244   7.844
  375    HE2  TYR  58           HE2      TYR  58 -12.256   1.017   5.548
  376    HH   TYR  58           HH       TYR  58 -10.887   3.089   7.156
  377    H    CYS  59           HN       CYS  59  -6.062  -2.619   5.055
  378    HA   CYS  59           HA       CYS  59  -5.054  -4.433   2.967
  379   1HB   CYS  59          HB2       CYS  59  -3.656  -3.105   5.247
  380   2HB   CYS  59          HB1       CYS  59  -2.996  -4.553   4.517
  381    H    ASN  60           HN       ASN  60  -5.412  -6.532   3.249
  382    HA   ASN  60           HA       ASN  60  -5.639  -7.657   5.935
  383   1HB   ASN  60          HB2       ASN  60  -7.564  -8.547   3.803
  384   2HB   ASN  60          HB1       ASN  60  -7.671  -8.766   5.543
  385   1HD2  ASN  60          HD21      ASN  60  -7.036  -6.095   6.241
  386   2HD2  ASN  60          HD22      ASN  60  -8.375  -5.102   5.793
  387    H    GLY  61           HN       GLY  61  -6.260  -9.019   2.764
  388   1HA   GLY  61          HA2       GLY  61  -4.052 -10.917   3.166
  389   2HA   GLY  61          HA1       GLY  61  -5.367 -11.104   2.002
  390    H    ILE  62           HN       ILE  62  -3.910  -8.070   2.483
  391    HA   ILE  62           HA       ILE  62  -3.291  -7.624  -0.203
  392    HB   ILE  62           HB       ILE  62  -2.097  -5.582   0.779
  393   1HG1  ILE  62          HG12      ILE  62  -2.070  -5.182   3.011
  394   2HG1  ILE  62          HG11      ILE  62  -3.638  -5.918   3.264
  395   1HG2  ILE  62          HG21      ILE  62  -4.905  -5.689   1.722
  396   2HG2  ILE  62          HG22      ILE  62  -4.595  -6.000   0.025
  397   3HG2  ILE  62          HG23      ILE  62  -4.090  -4.472   0.746
  398   1HD1  ILE  62          HD11      ILE  62  -2.611  -7.564   4.306
  399   2HD1  ILE  62          HD12      ILE  62  -1.035  -6.924   3.864
  400   3HD1  ILE  62          HD13      ILE  62  -1.857  -8.042   2.797
  401    H    SER  63           HN       SER  63  -1.778  -9.054  -1.041
  402    HA   SER  63           HA       SER  63   0.904  -8.990   0.159
  403   1HB   SER  63          HB2       SER  63   1.387 -10.983  -0.961
  404   2HB   SER  63          HB1       SER  63  -0.294 -11.186  -0.470
  405    HG   SER  63           HG       SER  63  -0.181 -11.765  -2.602
  406    H    ALA  64           HN       ALA  64  -0.235  -6.802  -1.114
  407    HA   ALA  64           HA       ALA  64   0.955  -5.141  -2.271
  408   1HB   ALA  64          HB1       ALA  64   2.726  -6.767  -2.988
  409   2HB   ALA  64          HB2       ALA  64   2.291  -5.523  -4.159
  410   3HB   ALA  64          HB3       ALA  64   1.685  -7.162  -4.353
  411    H    GLY  65           HN       GLY  65  -1.659  -6.426  -2.248
  412   1HA   GLY  65          HA2       GLY  65  -2.797  -5.038  -4.547
  413   2HA   GLY  65          HA1       GLY  65  -3.189  -6.749  -4.362
  414    H    CYS  66           HN       CYS  66  -5.419  -5.467  -4.217
  415    HA   CYS  66           HA       CYS  66  -5.846  -4.873  -1.362
  416   1HB   CYS  66          HB2       CYS  66  -7.375  -3.821  -3.743
  417   2HB   CYS  66          HB1       CYS  66  -7.789  -3.511  -2.060
  418    HA   PRO  67           HA       PRO  67  -8.261  -8.551  -0.961
  419   1HB   PRO  67          HB2       PRO  67 -10.013  -7.417   0.928
  420   2HB   PRO  67          HB1       PRO  67  -8.526  -8.300   1.278
  421   1HG   PRO  67          HG2       PRO  67  -8.993  -5.357   1.134
  422   2HG   PRO  67          HG1       PRO  67  -7.917  -6.274   2.203
  423   1HD   PRO  67          HD2       PRO  67  -6.946  -4.902   0.138
  424   2HD   PRO  67          HD1       PRO  67  -6.285  -6.494   0.571
  425    H    ARG  68           HN       ARG  68 -10.869  -8.790  -0.481
  426    HA   ARG  68           HA       ARG  68 -12.130  -7.410  -2.754
  427   1HB   ARG  68          HB2       ARG  68 -13.050  -9.984  -1.477
  428   2HB   ARG  68          HB1       ARG  68 -13.572  -9.301  -3.011
  429   1HG   ARG  68          HG2       ARG  68 -11.709 -10.001  -4.119
  430   2HG   ARG  68          HG1       ARG  68 -10.692  -9.935  -2.679
  431   1HD   ARG  68          HD2       ARG  68 -10.884 -12.173  -2.721
  432   2HD   ARG  68          HD1       ARG  68 -12.455 -11.872  -1.981
  433    HE   ARG  68           HE       ARG  68 -11.939 -12.749  -4.690
  434   1HH1  ARG  68          HH11      ARG  68 -14.234 -11.396  -2.447
  435   2HH1  ARG  68          HH12      ARG  68 -15.617 -11.873  -3.373
  436   1HH2  ARG  68          HH21      ARG  68 -13.754 -13.382  -5.919
  437   2HH2  ARG  68          HH22      ARG  68 -15.344 -13.003  -5.347
  438    H    ASN  69           HN       ASN  69 -11.914  -6.981   0.392
  439    HA   ASN  69           HA       ASN  69 -14.661  -6.888   1.201
  440   1HB   ASN  69          HB2       ASN  69 -12.212  -5.628   2.456
  441   2HB   ASN  69          HB1       ASN  69 -13.794  -5.766   3.216
  442   1HD2  ASN  69          HD21      ASN  69 -14.029  -7.403   4.540
  443   2HD2  ASN  69          HD22      ASN  69 -13.144  -8.886   4.500
  444    HA   PRO  70           HA       PRO  70 -16.009  -3.019  -0.392
  445   1HB   PRO  70          HB2       PRO  70 -17.045  -2.455   2.338
  446   2HB   PRO  70          HB1       PRO  70 -17.897  -2.461   0.790
  447   1HG   PRO  70          HG2       PRO  70 -18.225  -4.451   2.531
  448   2HG   PRO  70          HG1       PRO  70 -18.150  -4.766   0.787
  449   1HD   PRO  70          HD2       PRO  70 -16.064  -5.195   2.884
  450   2HD   PRO  70          HD1       PRO  70 -16.457  -6.185   1.464
  451    H    PHE  71           HN       PHE  71 -14.439  -1.571  -0.777
  452    HA   PHE  71           HA       PHE  71 -13.195  -0.216   1.524
  453   1HB   PHE  71          HB2       PHE  71 -12.044  -0.227  -1.255
  454   2HB   PHE  71          HB1       PHE  71 -11.223   0.056   0.276
  455    HD1  PHE  71           HD1      PHE  71 -11.707  -2.241  -2.284
  456    HD2  PHE  71           HD2      PHE  71 -11.369  -2.008   1.951
  457    HE1  PHE  71           HE1      PHE  71 -11.047  -4.610  -2.212
  458    HE2  PHE  71           HE2      PHE  71 -10.707  -4.376   2.032
  459    HZ   PHE  71           HZ       PHE  71 -10.546  -5.679  -0.051
  460    H    HIS  72           HN       HIS  72 -12.080   1.756  -0.524
  461    HA   HIS  72           HA       HIS  72 -13.557   3.941  -0.099
  462   1HB   HIS  72          HB2       HIS  72 -11.492   3.988  -1.405
  463   2HB   HIS  72          HB1       HIS  72 -12.309   3.212  -2.758
  464    HD1  HIS  72           HD1      HIS  72 -13.863   6.030  -0.813
  465    HD2  HIS  72           HD2      HIS  72 -12.038   5.360  -4.485
  466    HE1  HIS  72           HE1      HIS  72 -14.258   8.122  -2.151
  467    HE2  HIS  72           HE2      HIS  72 -13.232   7.653  -4.403
  468    H    ALA  73           HN       ALA  73 -15.577   4.586  -0.420
  469    HA   ALA  73           HA       ALA  73 -17.032   4.189  -2.802
  470   1HB   ALA  73          HB1       ALA  73 -18.826   2.708  -1.808
  471   2HB   ALA  73          HB2       ALA  73 -17.672   2.323  -0.531
  472   3HB   ALA  73          HB3       ALA  73 -17.300   1.918  -2.207
  Start of MODEL    7
    1   1H    GLU   1           HT1      GLU   1  -3.345  15.333   4.418
    2   2H    GLU   1           HT2      GLU   1  -4.098  14.985   2.915
    3   3H    GLU   1           HT3      GLU   1  -2.621  14.218   3.336
    4    HA   GLU   1           HA       GLU   1  -3.627  12.999   5.031
    5   1HB   GLU   1          HB2       GLU   1  -5.404  15.172   5.039
    6   2HB   GLU   1          HB1       GLU   1  -6.379  13.779   4.591
    7   1HG   GLU   1          HG2       GLU   1  -6.550  13.365   6.761
    8   2HG   GLU   1          HG1       GLU   1  -4.867  12.844   6.694
    9    H    ALA   2           HN       ALA   2  -3.173  11.325   3.645
   10    HA   ALA   2           HA       ALA   2  -5.402  10.432   1.975
   11   1HB   ALA   2          HB1       ALA   2  -4.347  10.973   0.092
   12   2HB   ALA   2          HB2       ALA   2  -3.165   9.724   0.484
   13   3HB   ALA   2          HB3       ALA   2  -2.872  11.397   0.962
   14    H    GLY   3           HN       GLY   3  -5.726   8.896   3.661
   15   1HA   GLY   3          HA2       GLY   3  -5.537   6.798   4.572
   16   2HA   GLY   3          HA1       GLY   3  -4.483   6.407   3.221
   17    H    GLU   4           HN       GLU   4  -2.271   6.413   3.501
   18    HA   GLU   4           HA       GLU   4  -1.350   6.909   6.257
   19   1HB   GLU   4          HB2       GLU   4  -0.643   4.754   4.294
   20   2HB   GLU   4          HB1       GLU   4   0.501   5.219   5.546
   21   1HG   GLU   4          HG2       GLU   4  -1.737   4.893   7.019
   22   2HG   GLU   4          HG1       GLU   4  -2.010   3.711   5.740
   23    H    GLU   5           HN       GLU   5   1.118   7.232   6.314
   24    HA   GLU   5           HA       GLU   5   1.708   9.554   4.784
   25   1HB   GLU   5          HB2       GLU   5   3.731   7.961   6.344
   26   2HB   GLU   5          HB1       GLU   5   3.709   9.692   6.033
   27   1HG   GLU   5          HG2       GLU   5   1.325   8.945   7.420
   28   2HG   GLU   5          HG1       GLU   5   2.732   8.319   8.278
   29    H    CYS   6           HN       CYS   6   4.413   9.297   4.188
   30    HA   CYS   6           HA       CYS   6   5.742   8.782   2.410
   31   1HB   CYS   6          HB2       CYS   6   6.149   6.737   3.581
   32   2HB   CYS   6          HB1       CYS   6   4.602   6.066   3.074
   33    H    ASP   7           HN       ASP   7   5.199   9.651   0.519
   34    HA   ASP   7           HA       ASP   7   2.960   8.454  -0.976
   35   1HB   ASP   7          HB2       ASP   7   4.032  11.236  -1.411
   36   2HB   ASP   7          HB1       ASP   7   2.493  10.566  -1.942
   37    H    CYS   8           HN       CYS   8   5.074   7.006  -1.366
   38    HA   CYS   8           HA       CYS   8   6.552   8.069  -3.666
   39   1HB   CYS   8          HB2       CYS   8   7.041   5.755  -1.820
   40   2HB   CYS   8          HB1       CYS   8   7.838   5.881  -3.375
   41    H    GLY   9           HN       GLY   9   3.842   6.137  -3.043
   42   1HA   GLY   9          HA2       GLY   9   3.388   5.492  -5.713
   43   2HA   GLY   9          HA1       GLY   9   4.225   4.120  -5.012
   44    H    SER  10           HN       SER  10   2.508   2.710  -5.264
   45    HA   SER  10           HA       SER  10   0.600   2.620  -3.177
   46   1HB   SER  10          HB2       SER  10  -0.664   2.970  -5.891
   47   2HB   SER  10          HB1       SER  10  -1.407   3.128  -4.299
   48    HG   SER  10           HG       SER  10  -0.263   5.044  -3.997
   49    HA   PRO  11           HA       PRO  11  -0.023  -1.630  -4.317
   50   1HB   PRO  11          HB2       PRO  11  -2.366  -1.278  -6.107
   51   2HB   PRO  11          HB1       PRO  11  -2.166  -2.342  -4.711
   52   1HG   PRO  11          HG2       PRO  11  -3.647  -0.108  -4.587
   53   2HG   PRO  11          HG1       PRO  11  -2.706  -0.689  -3.206
   54   1HD   PRO  11          HD2       PRO  11  -2.175   1.588  -5.036
   55   2HD   PRO  11          HD1       PRO  11  -1.761   1.395  -3.323
   56    H    GLY  12           HN       GLY  12   1.844  -1.740  -5.524
   57   1HA   GLY  12          HA2       GLY  12   2.340  -2.932  -7.700
   58   2HA   GLY  12          HA1       GLY  12   1.509  -1.578  -8.460
   59    H    ASN  13           HN       ASN  13   2.581   0.258  -6.433
   60    HA   ASN  13           HA       ASN  13   5.385   0.404  -7.310
   61   1HB   ASN  13          HB2       ASN  13   3.283   2.557  -7.199
   62   2HB   ASN  13          HB1       ASN  13   4.991   2.964  -7.056
   63   1HD2  ASN  13          HD21      ASN  13   4.924   4.132  -8.980
   64   2HD2  ASN  13          HD22      ASN  13   4.866   3.351 -10.520
   65    HA   PRO  14           HA       PRO  14   4.605  -0.298  -2.618
   66   1HB   PRO  14          HB2       PRO  14   7.446  -0.931  -3.034
   67   2HB   PRO  14          HB1       PRO  14   6.175  -1.910  -2.299
   68   1HG   PRO  14          HG2       PRO  14   7.150  -1.932  -5.046
   69   2HG   PRO  14          HG1       PRO  14   6.081  -3.089  -4.242
   70   1HD   PRO  14          HD2       PRO  14   5.210  -1.457  -6.211
   71   2HD   PRO  14          HD1       PRO  14   4.163  -1.923  -4.848
   72    H    CYS  15           HN       CYS  15   4.347   1.832  -2.116
   73    HA   CYS  15           HA       CYS  15   5.286   4.127  -2.211
   74   1HB   CYS  15          HB2       CYS  15   4.459   2.788   0.002
   75   2HB   CYS  15          HB1       CYS  15   6.093   3.229   0.486
   76    H    CYS  16           HN       CYS  16   7.085   3.962  -3.621
   77    HA   CYS  16           HA       CYS  16   9.173   4.806  -3.931
   78   1HB   CYS  16          HB2       CYS  16   9.325   4.502  -1.073
   79   2HB   CYS  16          HB1       CYS  16  10.827   4.010  -1.835
   80    H    ASP  17           HN       ASP  17  10.170   3.867  -5.427
   81    HA   ASP  17           HA       ASP  17  11.658   1.452  -5.111
   82   1HB   ASP  17          HB2       ASP  17  10.313   0.360  -7.054
   83   2HB   ASP  17          HB1       ASP  17   9.692   0.227  -5.413
   84    H    ALA  18           HN       ALA  18  12.922   3.471  -5.745
   85    HA   ALA  18           HA       ALA  18  13.116   5.009  -7.793
   86   1HB   ALA  18          HB1       ALA  18  15.500   3.269  -7.687
   87   2HB   ALA  18          HB2       ALA  18  14.990   4.025  -6.177
   88   3HB   ALA  18          HB3       ALA  18  15.364   5.024  -7.581
   89    H    ALA  19           HN       ALA  19  13.583   1.518  -8.239
   90    HA   ALA  19           HA       ALA  19  13.138   1.959 -11.114
   91   1HB   ALA  19          HB1       ALA  19  15.128   0.048  -9.916
   92   2HB   ALA  19          HB2       ALA  19  15.514   1.597 -10.667
   93   3HB   ALA  19          HB3       ALA  19  14.818   0.296 -11.634
   94    H    THR  20           HN       THR  20  12.623  -0.044  -8.325
   95    HA   THR  20           HA       THR  20  10.332  -1.267  -9.448
   96    HB   THR  20           HB       THR  20  12.274  -2.530 -10.555
   97    HG1  THR  20           HG1      THR  20  10.402  -3.993  -9.007
   98   1HG2  THR  20          HG21      THR  20  13.710  -2.781  -8.603
   99   2HG2  THR  20          HG22      THR  20  13.255  -4.344  -9.281
  100   3HG2  THR  20          HG23      THR  20  12.470  -3.756  -7.815
  101    H    CYS  21           HN       CYS  21   9.312  -2.778  -7.912
  102    HA   CYS  21           HA       CYS  21   8.967  -1.902  -5.432
  103   1HB   CYS  21          HB2       CYS  21   9.166  -4.838  -6.148
  104   2HB   CYS  21          HB1       CYS  21   8.374  -4.198  -4.713
  105    H    LYS  22           HN       LYS  22  10.787  -0.978  -4.518
  106    HA   LYS  22           HA       LYS  22  12.292  -2.615  -2.767
  107   1HB   LYS  22          HB2       LYS  22  13.405  -2.922  -5.088
  108   2HB   LYS  22          HB1       LYS  22  14.011  -1.290  -4.844
  109   1HG   LYS  22          HG2       LYS  22  14.670  -2.478  -2.484
  110   2HG   LYS  22          HG1       LYS  22  14.848  -3.811  -3.626
  111   1HD   LYS  22          HD2       LYS  22  16.482  -2.692  -4.861
  112   2HD   LYS  22          HD1       LYS  22  16.033  -1.118  -4.202
  113   1HE   LYS  22          HE2       LYS  22  16.927  -3.103  -2.224
  114   2HE   LYS  22          HE1       LYS  22  18.159  -2.579  -3.371
  115   1HZ   LYS  22          HZ1       LYS  22  16.541  -0.828  -1.601
  116   2HZ   LYS  22          HZ2       LYS  22  17.631  -0.270  -2.767
  117   3HZ   LYS  22          HZ3       LYS  22  18.192  -1.167  -1.447
  118    H    LEU  23           HN       LEU  23  12.503  -1.393  -1.036
  119    HA   LEU  23           HA       LEU  23  13.464   1.322  -1.207
  120   1HB   LEU  23          HB2       LEU  23  11.634   2.262   0.116
  121   2HB   LEU  23          HB1       LEU  23  11.084   1.676  -1.437
  122    HG   LEU  23           HG       LEU  23  10.447   0.681   1.298
  123   1HD1  LEU  23          HD11      LEU  23   8.619   1.765   0.583
  124   2HD1  LEU  23          HD12      LEU  23   8.304   0.267  -0.292
  125   3HD1  LEU  23          HD13      LEU  23   9.073   1.622  -1.116
  126   1HD2  LEU  23          HD21      LEU  23  10.521  -1.041  -1.170
  127   2HD2  LEU  23          HD22      LEU  23   9.553  -1.416   0.255
  128   3HD2  LEU  23          HD23      LEU  23  11.309  -1.337   0.379
  129    H    ARG  24           HN       ARG  24  14.583   1.943   0.582
  130    HA   ARG  24           HA       ARG  24  15.335  -0.090   2.433
  131   1HB   ARG  24          HB2       ARG  24  16.009   2.829   2.162
  132   2HB   ARG  24          HB1       ARG  24  16.586   1.877   3.523
  133   1HG   ARG  24          HG2       ARG  24  17.061   0.686   0.881
  134   2HG   ARG  24          HG1       ARG  24  17.924   2.192   1.200
  135   1HD   ARG  24          HD2       ARG  24  19.057   1.295   3.032
  136   2HD   ARG  24          HD1       ARG  24  17.914  -0.037   3.203
  137    HE   ARG  24           HE       ARG  24  19.212  -1.235   1.770
  138   1HH1  ARG  24          HH11      ARG  24  19.818   2.151   1.228
  139   2HH1  ARG  24          HH12      ARG  24  21.067   1.873   0.060
  140   1HH2  ARG  24          HH21      ARG  24  20.856  -1.613   0.235
  141   2HH2  ARG  24          HH22      ARG  24  21.657  -0.267  -0.504
  142    H    GLN  25           HN       GLN  25  12.620   1.760   2.337
  143    HA   GLN  25           HA       GLN  25  12.425   2.047   5.245
  144   1HB   GLN  25          HB2       GLN  25  10.766   3.203   3.011
  145   2HB   GLN  25          HB1       GLN  25  10.364   3.382   4.713
  146   1HG   GLN  25          HG2       GLN  25  12.964   4.294   3.509
  147   2HG   GLN  25          HG1       GLN  25  11.546   5.326   3.685
  148   1HE2  GLN  25          HE21      GLN  25  11.913   6.690   5.279
  149   2HE2  GLN  25          HE22      GLN  25  12.560   6.291   6.830
  150    H    GLY  26           HN       GLY  26   9.560   1.781   3.354
  151   1HA   GLY  26          HA2       GLY  26   9.007  -0.910   3.340
  152   2HA   GLY  26          HA1       GLY  26   8.587  -0.372   4.960
  153    H    ALA  27           HN       ALA  27   7.758  -0.290   1.603
  154    HA   ALA  27           HA       ALA  27   5.574   1.570   1.942
  155   1HB   ALA  27          HB1       ALA  27   6.713   1.641  -0.144
  156   2HB   ALA  27          HB2       ALA  27   5.100   0.984  -0.429
  157   3HB   ALA  27          HB3       ALA  27   6.491  -0.092  -0.386
  158    H    GLN  28           HN       GLN  28   5.732  -1.252   3.224
  159    HA   GLN  28           HA       GLN  28   4.096  -3.138   2.402
  160   1HB   GLN  28          HB2       GLN  28   3.562  -1.929   5.107
  161   2HB   GLN  28          HB1       GLN  28   3.479  -3.617   4.639
  162   1HG   GLN  28          HG2       GLN  28   5.513  -3.839   5.460
  163   2HG   GLN  28          HG1       GLN  28   6.083  -2.902   4.080
  164   1HE2  GLN  28          HE21      GLN  28   6.599  -3.155   7.166
  165   2HE2  GLN  28          HE22      GLN  28   6.815  -1.506   7.635
  166    H    CYS  29           HN       CYS  29   2.520  -0.648   4.344
  167    HA   CYS  29           HA       CYS  29   0.288  -0.579   2.448
  168   1HB   CYS  29          HB2       CYS  29   0.133  -0.877   5.454
  169   2HB   CYS  29          HB1       CYS  29  -1.237  -0.383   4.466
  170    H    ALA  30           HN       ALA  30   2.314   1.200   2.410
  171    HA   ALA  30           HA       ALA  30   1.945   3.482   4.079
  172   1HB   ALA  30          HB1       ALA  30   3.296   3.348   1.385
  173   2HB   ALA  30          HB2       ALA  30   4.064   2.943   2.920
  174   3HB   ALA  30          HB3       ALA  30   3.514   4.591   2.617
  175    H    GLU  31           HN       GLU  31   2.124   5.327   1.591
  176    HA   GLU  31           HA       GLU  31  -0.322   6.475   1.583
  177   1HB   GLU  31          HB2       GLU  31   1.265   7.557   0.238
  178   2HB   GLU  31          HB1       GLU  31   1.640   6.094  -0.663
  179   1HG   GLU  31          HG2       GLU  31  -0.276   6.264  -1.974
  180   2HG   GLU  31          HG1       GLU  31  -1.059   7.373  -0.850
  181    H    GLY  32           HN       GLY  32   0.638   3.523   0.076
  182   1HA   GLY  32          HA2       GLY  32  -2.083   2.644  -0.131
  183   2HA   GLY  32          HA1       GLY  32  -1.290   2.845  -1.692
  184    H    LEU  33           HN       LEU  33  -1.766   0.428  -1.730
  185    HA   LEU  33           HA       LEU  33  -0.303  -1.207   0.052
  186   1HB   LEU  33          HB2       LEU  33  -2.326  -1.661  -1.705
  187   2HB   LEU  33          HB1       LEU  33  -0.977  -2.440  -2.513
  188    HG   LEU  33           HG       LEU  33  -2.361  -3.908  -0.988
  189   1HD1  LEU  33          HD11      LEU  33  -0.595  -5.251  -0.747
  190   2HD1  LEU  33          HD12      LEU  33   0.313  -4.052   0.170
  191   3HD1  LEU  33          HD13      LEU  33   0.287  -3.979  -1.593
  192   1HD2  LEU  33          HD21      LEU  33  -0.973  -3.213   1.409
  193   2HD2  LEU  33          HD22      LEU  33  -2.708  -3.314   1.119
  194   3HD2  LEU  33          HD23      LEU  33  -1.852  -1.808   0.810
  195    H    CYS  34           HN       CYS  34   1.406  -2.698  -0.457
  196    HA   CYS  34           HA       CYS  34   3.379  -1.573  -2.298
  197   1HB   CYS  34          HB2       CYS  34   4.788  -1.662  -0.565
  198   2HB   CYS  34          HB1       CYS  34   3.505  -2.313   0.435
  199    H    CYS  35           HN       CYS  35   5.119  -3.397  -2.726
  200    HA   CYS  35           HA       CYS  35   3.836  -5.888  -3.480
  201   1HB   CYS  35          HB2       CYS  35   3.693  -5.306  -5.646
  202   2HB   CYS  35          HB1       CYS  35   4.554  -3.804  -5.345
  203    H    ASP  36           HN       ASP  36   6.687  -4.100  -2.760
  204    HA   ASP  36           HA       ASP  36   8.511  -6.271  -3.180
  205   1HB   ASP  36          HB2       ASP  36   9.773  -4.430  -3.440
  206   2HB   ASP  36          HB1       ASP  36   8.639  -3.421  -2.560
  207    H    GLN  37           HN       GLN  37  10.129  -6.606  -1.240
  208    HA   GLN  37           HA       GLN  37   8.976  -8.224   0.624
  209   1HB   GLN  37          HB2       GLN  37  11.444  -6.551   1.111
  210   2HB   GLN  37          HB1       GLN  37  11.031  -8.070   1.895
  211   1HG   GLN  37          HG2       GLN  37  11.949  -9.253   0.264
  212   2HG   GLN  37          HG1       GLN  37  11.064  -8.361  -0.972
  213   1HE2  GLN  37          HE21      GLN  37  13.896  -8.200   1.128
  214   2HE2  GLN  37          HE22      GLN  37  14.862  -7.252   0.054
  215    H    CYS  38           HN       CYS  38   8.948  -4.778   0.568
  216    HA   CYS  38           HA       CYS  38   8.877  -3.677   2.918
  217   1HB   CYS  38          HB2       CYS  38   6.259  -3.035   2.125
  218   2HB   CYS  38          HB1       CYS  38   7.726  -2.140   1.761
  219    H    ARG  39           HN       ARG  39   6.389  -5.992   1.949
  220    HA   ARG  39           HA       ARG  39   5.357  -7.575   3.312
  221   1HB   ARG  39          HB2       ARG  39   7.166  -6.644   5.110
  222   2HB   ARG  39          HB1       ARG  39   5.669  -6.085   5.844
  223   1HG   ARG  39          HG2       ARG  39   4.844  -8.488   5.547
  224   2HG   ARG  39          HG1       ARG  39   6.538  -8.892   5.261
  225   1HD   ARG  39          HD2       ARG  39   6.561  -7.294   7.540
  226   2HD   ARG  39          HD1       ARG  39   5.162  -8.347   7.745
  227    HE   ARG  39           HE       ARG  39   6.609 -10.053   8.159
  228   1HH1  ARG  39          HH11      ARG  39   8.270  -7.638   6.281
  229   2HH1  ARG  39          HH12      ARG  39   9.794  -8.461   6.329
  230   1HH2  ARG  39          HH21      ARG  39   8.609 -11.149   8.228
  231   2HH2  ARG  39          HH22      ARG  39   9.986 -10.458   7.436
  232    H    PHE  40           HN       PHE  40   3.561  -7.131   5.381
  233    HA   PHE  40           HA       PHE  40   2.080  -4.721   4.875
  234   1HB   PHE  40          HB2       PHE  40   0.724  -7.282   4.061
  235   2HB   PHE  40          HB1       PHE  40   0.184  -5.624   3.790
  236    HD1  PHE  40           HD1      PHE  40   2.441  -8.274   2.662
  237    HD2  PHE  40           HD2      PHE  40   1.189  -4.248   2.061
  238    HE1  PHE  40           HE1      PHE  40   3.640  -8.221   0.524
  239    HE2  PHE  40           HE2      PHE  40   2.381  -4.201  -0.077
  240    HZ   PHE  40           HZ       PHE  40   3.614  -6.178  -0.844
  241    H    MET  41           HN       MET  41   0.926  -4.147   6.532
  242    HA   MET  41           HA       MET  41   1.103  -5.094   9.028
  243   1HB   MET  41          HB2       MET  41  -0.553  -3.232   7.672
  244   2HB   MET  41          HB1       MET  41  -1.577  -4.159   8.761
  245   1HG   MET  41          HG2       MET  41  -0.560  -2.031   9.675
  246   2HG   MET  41          HG1       MET  41  -0.375  -3.486  10.652
  247   1HE   MET  41          HE1       MET  41   2.849  -2.435  11.800
  248   2HE   MET  41          HE2       MET  41   2.427  -4.129  11.551
  249   3HE   MET  41          HE3       MET  41   1.191  -2.977  12.055
  250    H    LYS  42           HN       LYS  42  -1.691  -5.876   6.951
  251    HA   LYS  42           HA       LYS  42  -2.972  -7.770   6.834
  252   1HB   LYS  42          HB2       LYS  42  -1.190  -8.840   9.031
  253   2HB   LYS  42          HB1       LYS  42  -2.474  -9.745   8.251
  254   1HG   LYS  42          HG2       LYS  42  -0.273  -8.538   6.630
  255   2HG   LYS  42          HG1       LYS  42  -0.053 -10.083   7.457
  256   1HD   LYS  42          HD2       LYS  42  -2.546 -10.232   6.173
  257   2HD   LYS  42          HD1       LYS  42  -1.438  -9.512   5.004
  258   1HE   LYS  42          HE2       LYS  42  -0.894 -11.645   4.552
  259   2HE   LYS  42          HE1       LYS  42   0.094 -11.512   6.007
  260   1HZ   LYS  42          HZ1       LYS  42  -1.285 -13.499   6.038
  261   2HZ   LYS  42          HZ2       LYS  42  -2.684 -12.559   5.903
  262   3HZ   LYS  42          HZ3       LYS  42  -1.722 -12.447   7.289
  263    H    GLU  43           HN       GLU  43  -3.518  -5.436   8.320
  264    HA   GLU  43           HA       GLU  43  -5.754  -6.347   9.840
  265   1HB   GLU  43          HB2       GLU  43  -3.912  -6.601  11.499
  266   2HB   GLU  43          HB1       GLU  43  -3.585  -4.880  11.348
  267   1HG   GLU  43          HG2       GLU  43  -5.956  -4.477  12.078
  268   2HG   GLU  43          HG1       GLU  43  -6.047  -6.197  12.454
  269    H    GLY  44           HN       GLY  44  -7.048  -5.069   8.657
  270   1HA   GLY  44          HA2       GLY  44  -7.589  -3.102   7.430
  271   2HA   GLY  44          HA1       GLY  44  -8.029  -2.754   9.089
  272    H    THR  45           HN       THR  45  -5.091  -2.659   7.026
  273    HA   THR  45           HA       THR  45  -4.352  -0.223   8.458
  274    HB   THR  45           HB       THR  45  -2.629  -1.509   6.387
  275    HG1  THR  45           HG1      THR  45  -3.453  -3.082   7.971
  276   1HG2  THR  45          HG21      THR  45  -0.825  -0.717   7.725
  277   2HG2  THR  45          HG22      THR  45  -1.937  -0.201   8.993
  278   3HG2  THR  45          HG23      THR  45  -1.936   0.621   7.433
  279    H    ILE  46           HN       ILE  46  -3.703  -0.962   5.086
  280    HA   ILE  46           HA       ILE  46  -5.546   0.834   3.984
  281    HB   ILE  46           HB       ILE  46  -3.156   2.090   4.995
  282   1HG1  ILE  46          HG12      ILE  46  -4.650   4.030   3.756
  283   2HG1  ILE  46          HG11      ILE  46  -5.843   2.768   4.042
  284   1HG2  ILE  46          HG21      ILE  46  -2.802   3.517   2.890
  285   2HG2  ILE  46          HG22      ILE  46  -3.481   2.141   2.022
  286   3HG2  ILE  46          HG23      ILE  46  -2.014   1.942   2.981
  287   1HD1  ILE  46          HD11      ILE  46  -4.823   4.677   5.856
  288   2HD1  ILE  46          HD12      ILE  46  -4.312   3.081   6.406
  289   3HD1  ILE  46          HD13      ILE  46  -6.023   3.417   6.141
  290    H    CYS  47           HN       CYS  47  -5.926  -0.486   2.325
  291    HA   CYS  47           HA       CYS  47  -3.678  -1.505   0.764
  292   1HB   CYS  47          HB2       CYS  47  -5.661  -2.943   1.579
  293   2HB   CYS  47          HB1       CYS  47  -6.513  -2.230   0.209
  294    H    ARG  48           HN       ARG  48  -5.199   1.222   0.825
  295    HA   ARG  48           HA       ARG  48  -6.455   2.351  -0.999
  296   1HB   ARG  48          HB2       ARG  48  -3.492   2.830  -1.183
  297   2HB   ARG  48          HB1       ARG  48  -4.767   3.973  -1.560
  298   1HG   ARG  48          HG2       ARG  48  -4.916   2.948   1.162
  299   2HG   ARG  48          HG1       ARG  48  -3.419   3.807   0.814
  300   1HD   ARG  48          HD2       ARG  48  -4.534   5.704   1.149
  301   2HD   ARG  48          HD1       ARG  48  -5.431   5.360  -0.330
  302    HE   ARG  48           HE       ARG  48  -6.815   3.963   1.484
  303   1HH1  ARG  48          HH11      ARG  48  -5.635   7.238   1.512
  304   2HH1  ARG  48          HH12      ARG  48  -6.924   7.831   2.506
  305   1HH2  ARG  48          HH21      ARG  48  -8.517   4.732   2.792
  306   2HH2  ARG  48          HH22      ARG  48  -8.563   6.406   3.233
  307    H    ARG  49           HN       ARG  49  -7.268   1.293  -2.756
  308    HA   ARG  49           HA       ARG  49  -5.628  -0.119  -4.605
  309   1HB   ARG  49          HB2       ARG  49  -8.358   0.854  -5.335
  310   2HB   ARG  49          HB1       ARG  49  -7.578  -0.672  -5.725
  311   1HG   ARG  49          HG2       ARG  49  -7.734  -1.161  -3.209
  312   2HG   ARG  49          HG1       ARG  49  -8.895   0.166  -3.174
  313   1HD   ARG  49          HD2       ARG  49  -9.466  -2.471  -3.723
  314   2HD   ARG  49          HD1       ARG  49 -10.503  -1.090  -4.077
  315    HE   ARG  49           HE       ARG  49  -9.999  -1.313  -6.311
  316   1HH1  ARG  49          HH11      ARG  49  -7.876  -3.320  -4.416
  317   2HH1  ARG  49          HH12      ARG  49  -7.234  -4.160  -5.788
  318   1HH2  ARG  49          HH21      ARG  49  -9.160  -2.412  -8.125
  319   2HH2  ARG  49          HH22      ARG  49  -7.963  -3.643  -7.897
  320    H    ALA  50           HN       ALA  50  -6.139   3.172  -4.182
  321    HA   ALA  50           HA       ALA  50  -5.221   3.658  -6.932
  322   1HB   ALA  50          HB1       ALA  50  -6.519   5.909  -6.639
  323   2HB   ALA  50          HB2       ALA  50  -7.448   4.962  -5.478
  324   3HB   ALA  50          HB3       ALA  50  -7.346   4.441  -7.154
  325    H    ARG  51           HN       ARG  51  -5.658   6.538  -5.190
  326    HA   ARG  51           HA       ARG  51  -2.893   6.489  -4.217
  327   1HB   ARG  51          HB2       ARG  51  -3.857   8.908  -5.685
  328   2HB   ARG  51          HB1       ARG  51  -2.212   8.363  -5.395
  329   1HG   ARG  51          HG2       ARG  51  -2.153   7.195  -7.290
  330   2HG   ARG  51          HG1       ARG  51  -3.751   6.502  -7.019
  331   1HD   ARG  51          HD2       ARG  51  -3.740   7.852  -9.037
  332   2HD   ARG  51          HD1       ARG  51  -4.783   8.575  -7.813
  333    HE   ARG  51           HE       ARG  51  -2.220   9.698  -7.606
  334   1HH1  ARG  51          HH11      ARG  51  -4.957   9.654  -9.758
  335   2HH1  ARG  51          HH12      ARG  51  -4.647  11.236 -10.394
  336   1HH2  ARG  51          HH21      ARG  51  -1.802  11.781  -8.437
  337   2HH2  ARG  51          HH22      ARG  51  -2.853  12.444  -9.643
  338    H    GLY  52           HN       GLY  52  -4.488   6.283  -2.264
  339   1HA   GLY  52          HA2       GLY  52  -5.272   7.222  -0.324
  340   2HA   GLY  52          HA1       GLY  52  -4.194   8.554  -0.693
  341    H    ASP  53           HN       ASP  53  -5.115  10.145  -2.369
  342    HA   ASP  53           HA       ASP  53  -7.548  11.156  -1.333
  343   1HB   ASP  53          HB2       ASP  53  -5.525  12.009  -3.249
  344   2HB   ASP  53          HB1       ASP  53  -7.151  12.472  -3.743
  345    H    ASP  54           HN       ASP  54  -6.720   9.356  -4.220
  346    HA   ASP  54           HA       ASP  54  -9.531   9.358  -5.046
  347   1HB   ASP  54          HB2       ASP  54  -6.947   8.703  -6.428
  348   2HB   ASP  54          HB1       ASP  54  -8.468   8.075  -7.056
  349    H    LEU  55           HN       LEU  55 -10.783   7.678  -4.518
  350    HA   LEU  55           HA       LEU  55 -11.421   5.687  -3.596
  351   1HB   LEU  55          HB2       LEU  55  -9.183   4.409  -5.131
  352   2HB   LEU  55          HB1       LEU  55 -10.783   3.778  -4.794
  353    HG   LEU  55           HG       LEU  55 -11.119   4.299  -6.968
  354   1HD1  LEU  55          HD11      LEU  55 -12.465   6.132  -7.138
  355   2HD1  LEU  55          HD12      LEU  55 -11.358   7.168  -6.236
  356   3HD1  LEU  55          HD13      LEU  55 -12.364   5.998  -5.382
  357   1HD2  LEU  55          HD21      LEU  55  -8.810   6.119  -6.566
  358   2HD2  LEU  55          HD22      LEU  55  -9.900   6.456  -7.911
  359   3HD2  LEU  55          HD23      LEU  55  -9.087   4.894  -7.804
  360    H    ASP  56           HN       ASP  56 -10.479   3.555  -2.536
  361    HA   ASP  56           HA       ASP  56  -7.934   3.815  -1.252
  362   1HB   ASP  56          HB2       ASP  56 -10.277   3.939   0.626
  363   2HB   ASP  56          HB1       ASP  56  -8.581   4.262   0.961
  364    H    ASP  57           HN       ASP  57  -8.354   2.269   0.968
  365    HA   ASP  57           HA       ASP  57  -9.928   0.026   0.825
  366   1HB   ASP  57          HB2       ASP  57  -8.664  -0.295  -1.382
  367   2HB   ASP  57          HB1       ASP  57  -7.254  -0.641  -0.395
  368    H    TYR  58           HN       TYR  58  -9.114  -1.764   2.218
  369    HA   TYR  58           HA       TYR  58  -7.202  -0.721   4.195
  370   1HB   TYR  58          HB2       TYR  58  -9.709  -2.322   4.502
  371   2HB   TYR  58          HB1       TYR  58  -8.443  -2.436   5.721
  372    HD1  TYR  58           HD1      TYR  58  -8.368   0.758   4.249
  373    HD2  TYR  58           HD2      TYR  58 -10.508  -1.560   7.102
  374    HE1  TYR  58           HE1      TYR  58  -9.191   2.823   5.298
  375    HE2  TYR  58           HE2      TYR  58 -11.340   0.499   8.159
  376    HH   TYR  58           HH       TYR  58 -11.655   2.787   7.742
  377    H    CYS  59           HN       CYS  59  -5.807  -2.153   5.262
  378    HA   CYS  59           HA       CYS  59  -4.910  -4.338   3.564
  379   1HB   CYS  59          HB2       CYS  59  -3.696  -2.705   5.728
  380   2HB   CYS  59          HB1       CYS  59  -2.977  -4.250   5.312
  381    H    ASN  60           HN       ASN  60  -5.678  -6.299   3.964
  382    HA   ASN  60           HA       ASN  60  -5.732  -7.262   6.729
  383   1HB   ASN  60          HB2       ASN  60  -7.772  -8.163   4.712
  384   2HB   ASN  60          HB1       ASN  60  -7.813  -8.333   6.465
  385   1HD2  ASN  60          HD21      ASN  60  -6.935  -5.651   6.974
  386   2HD2  ASN  60          HD22      ASN  60  -8.253  -4.600   6.604
  387    H    GLY  61           HN       GLY  61  -6.426  -8.676   3.593
  388   1HA   GLY  61          HA2       GLY  61  -4.377 -10.729   4.093
  389   2HA   GLY  61          HA1       GLY  61  -5.673 -10.841   2.899
  390    H    ILE  62           HN       ILE  62  -3.917  -7.940   3.381
  391    HA   ILE  62           HA       ILE  62  -3.182  -7.695   0.662
  392    HB   ILE  62           HB       ILE  62  -1.998  -5.633   1.429
  393   1HG1  ILE  62          HG12      ILE  62  -1.621  -5.158   3.591
  394   2HG1  ILE  62          HG11      ILE  62  -3.293  -5.480   3.991
  395   1HG2  ILE  62          HG21      ILE  62  -4.407  -5.813   0.752
  396   2HG2  ILE  62          HG22      ILE  62  -4.006  -4.433   1.770
  397   3HG2  ILE  62          HG23      ILE  62  -4.803  -5.837   2.463
  398   1HD1  ILE  62          HD11      ILE  62  -1.944  -7.971   3.751
  399   2HD1  ILE  62          HD12      ILE  62  -2.696  -7.234   5.145
  400   3HD1  ILE  62          HD13      ILE  62  -1.011  -6.897   4.777
  401    H    SER  63           HN       SER  63  -1.723  -9.281   0.028
  402    HA   SER  63           HA       SER  63   0.841  -9.359   1.435
  403   1HB   SER  63          HB2       SER  63   1.274 -11.386   0.353
  404   2HB   SER  63          HB1       SER  63  -0.457 -11.450   0.679
  405    HG   SER  63           HG       SER  63  -0.256 -10.305  -1.644
  406    H    ALA  64           HN       ALA  64  -0.440  -7.330  -0.532
  407    HA   ALA  64           HA       ALA  64   1.320  -5.747  -1.404
  408   1HB   ALA  64          HB1       ALA  64   1.876  -8.226  -2.953
  409   2HB   ALA  64          HB2       ALA  64   2.999  -7.101  -2.199
  410   3HB   ALA  64          HB3       ALA  64   2.165  -6.649  -3.682
  411    H    GLY  65           HN       GLY  65  -1.273  -7.734  -2.347
  412   1HA   GLY  65          HA2       GLY  65  -2.092  -5.880  -4.476
  413   2HA   GLY  65          HA1       GLY  65  -2.776  -7.475  -4.185
  414    H    CYS  66           HN       CYS  66  -4.480  -7.690  -2.844
  415    HA   CYS  66           HA       CYS  66  -5.244  -5.936  -0.826
  416   1HB   CYS  66          HB2       CYS  66  -6.513  -5.425  -3.479
  417   2HB   CYS  66          HB1       CYS  66  -7.471  -5.227  -2.018
  418    HA   PRO  67           HA       PRO  67  -7.525  -9.319   0.687
  419   1HB   PRO  67          HB2       PRO  67  -9.823  -7.864   1.460
  420   2HB   PRO  67          HB1       PRO  67  -8.433  -8.261   2.472
  421   1HG   PRO  67          HG2       PRO  67  -9.047  -5.749   0.995
  422   2HG   PRO  67          HG1       PRO  67  -8.209  -5.970   2.542
  423   1HD   PRO  67          HD2       PRO  67  -6.853  -5.369   0.329
  424   2HD   PRO  67          HD1       PRO  67  -6.199  -6.522   1.513
  425    H    ARG  68           HN       ARG  68 -10.205  -7.240  -0.272
  426    HA   ARG  68           HA       ARG  68 -10.810  -8.989  -2.539
  427   1HB   ARG  68          HB2       ARG  68 -12.548  -8.554  -0.130
  428   2HB   ARG  68          HB1       ARG  68 -13.267  -8.911  -1.694
  429   1HG   ARG  68          HG2       ARG  68 -13.052 -11.048  -1.117
  430   2HG   ARG  68          HG1       ARG  68 -11.336 -10.842  -1.475
  431   1HD   ARG  68          HD2       ARG  68 -10.777 -11.078   0.669
  432   2HD   ARG  68          HD1       ARG  68 -11.988  -9.904   1.182
  433    HE   ARG  68           HE       ARG  68 -12.198 -12.745   1.301
  434   1HH1  ARG  68          HH11      ARG  68 -14.032  -9.815   0.876
  435   2HH1  ARG  68          HH12      ARG  68 -15.510 -10.500   1.466
  436   1HH2  ARG  68          HH21      ARG  68 -14.139 -13.658   2.080
  437   2HH2  ARG  68          HH22      ARG  68 -15.570 -12.685   2.152
  438    H    ASN  69           HN       ASN  69 -12.752  -6.562  -0.829
  439    HA   ASN  69           HA       ASN  69 -12.213  -4.460  -2.646
  440   1HB   ASN  69          HB2       ASN  69 -14.624  -6.165  -3.148
  441   2HB   ASN  69          HB1       ASN  69 -14.670  -4.445  -3.523
  442   1HD2  ASN  69          HD21      ASN  69 -14.112  -7.402  -4.781
  443   2HD2  ASN  69          HD22      ASN  69 -13.091  -6.977  -6.108
  444    HA   PRO  70           HA       PRO  70 -16.306  -3.473   0.118
  445   1HB   PRO  70          HB2       PRO  70 -15.350  -5.578   2.025
  446   2HB   PRO  70          HB1       PRO  70 -16.983  -4.946   1.787
  447   1HG   PRO  70          HG2       PRO  70 -16.176  -7.280   0.704
  448   2HG   PRO  70          HG1       PRO  70 -17.348  -6.218  -0.092
  449   1HD   PRO  70          HD2       PRO  70 -14.594  -6.838  -0.859
  450   2HD   PRO  70          HD1       PRO  70 -15.876  -6.057  -1.804
  451    H    PHE  71           HN       PHE  71 -14.783  -1.677   0.144
  452    HA   PHE  71           HA       PHE  71 -13.805  -1.137   2.774
  453   1HB   PHE  71          HB2       PHE  71 -11.787  -1.420   0.536
  454   2HB   PHE  71          HB1       PHE  71 -11.446  -0.739   2.123
  455    HD1  PHE  71           HD1      PHE  71 -11.534  -3.690   0.161
  456    HD2  PHE  71           HD2      PHE  71 -11.859  -2.257   4.155
  457    HE1  PHE  71           HE1      PHE  71 -11.011  -5.941   1.007
  458    HE2  PHE  71           HE2      PHE  71 -11.335  -4.505   5.008
  459    HZ   PHE  71           HZ       PHE  71 -10.910  -6.350   3.433
  460    H    HIS  72           HN       HIS  72 -13.246  -0.140  -0.604
  461    HA   HIS  72           HA       HIS  72 -13.478   2.655   0.168
  462   1HB   HIS  72          HB2       HIS  72 -11.722   2.375  -1.340
  463   2HB   HIS  72          HB1       HIS  72 -12.613   1.211  -2.315
  464    HD1  HIS  72           HD1      HIS  72 -13.346   2.126  -4.479
  465    HD2  HIS  72           HD2      HIS  72 -13.074   5.088  -1.578
  466    HE1  HIS  72           HE1      HIS  72 -13.936   4.270  -5.652
  467    HE2  HIS  72           HE2      HIS  72 -13.667   6.061  -3.900
  468    H    ALA  73           HN       ALA  73 -15.636   0.306  -0.503
  469    HA   ALA  73           HA       ALA  73 -17.916   0.497  -0.791
  470   1HB   ALA  73          HB1       ALA  73 -18.867   2.511  -0.631
  471   2HB   ALA  73          HB2       ALA  73 -18.000   3.129  -2.037
  472   3HB   ALA  73          HB3       ALA  73 -17.227   3.134  -0.452
  Start of MODEL    8
    1   1H    GLU   1           HT1      GLU   1  -8.179   7.324  11.327
    2   2H    GLU   1           HT2      GLU   1  -8.931   7.243   9.787
    3   3H    GLU   1           HT3      GLU   1  -7.989   8.612  10.213
    4    HA   GLU   1           HA       GLU   1  -6.062   7.600   9.871
    5   1HB   GLU   1          HB2       GLU   1  -7.264   5.646  11.441
    6   2HB   GLU   1          HB1       GLU   1  -6.852   4.797   9.957
    7   1HG   GLU   1          HG2       GLU   1  -4.912   4.488  11.065
    8   2HG   GLU   1          HG1       GLU   1  -4.544   6.053  10.340
    9    H    ALA   2           HN       ALA   2  -5.821   8.043   7.766
   10    HA   ALA   2           HA       ALA   2  -6.409   6.040   5.813
   11   1HB   ALA   2          HB1       ALA   2  -8.409   6.723   5.131
   12   2HB   ALA   2          HB2       ALA   2  -7.681   8.252   4.637
   13   3HB   ALA   2          HB3       ALA   2  -8.370   8.084   6.252
   14    H    GLY   3           HN       GLY   3  -5.155   6.266   3.998
   15   1HA   GLY   3          HA2       GLY   3  -3.457   7.060   2.671
   16   2HA   GLY   3          HA1       GLY   3  -4.066   8.668   3.035
   17    H    GLU   4           HN       GLU   4  -1.651   6.298   3.719
   18    HA   GLU   4           HA       GLU   4  -0.578   7.659   6.021
   19   1HB   GLU   4          HB2       GLU   4   0.399   5.367   4.328
   20   2HB   GLU   4          HB1       GLU   4   1.359   6.039   5.639
   21   1HG   GLU   4          HG2       GLU   4   0.325   4.319   6.717
   22   2HG   GLU   4          HG1       GLU   4  -0.817   5.624   7.033
   23    H    GLU   5           HN       GLU   5   1.991   7.952   5.849
   24    HA   GLU   5           HA       GLU   5   2.358  10.219   4.168
   25   1HB   GLU   5          HB2       GLU   5   4.560   8.737   5.593
   26   2HB   GLU   5          HB1       GLU   5   4.485  10.446   5.187
   27   1HG   GLU   5          HG2       GLU   5   2.755  10.805   6.823
   28   2HG   GLU   5          HG1       GLU   5   2.687   9.078   7.173
   29    H    CYS   6           HN       CYS   6   4.913  10.093   3.223
   30    HA   CYS   6           HA       CYS   6   6.184   9.407   1.462
   31   1HB   CYS   6          HB2       CYS   6   6.591   7.313   2.403
   32   2HB   CYS   6          HB1       CYS   6   4.904   6.827   2.297
   33    H    ASP   7           HN       ASP   7   5.909   9.882  -0.634
   34    HA   ASP   7           HA       ASP   7   3.270   9.332  -1.826
   35   1HB   ASP   7          HB2       ASP   7   5.117  11.671  -2.340
   36   2HB   ASP   7          HB1       ASP   7   3.617  11.361  -3.209
   37    H    CYS   8           HN       CYS   8   5.880   7.800  -1.849
   38    HA   CYS   8           HA       CYS   8   6.918   7.949  -4.508
   39   1HB   CYS   8          HB2       CYS   8   7.082   5.792  -2.423
   40   2HB   CYS   8          HB1       CYS   8   7.933   5.753  -3.954
   41    H    GLY   9           HN       GLY   9   3.961   6.932  -3.473
   42   1HA   GLY   9          HA2       GLY   9   2.444   6.037  -5.170
   43   2HA   GLY   9          HA1       GLY   9   3.748   4.960  -5.659
   44    H    SER  10           HN       SER  10   1.985   3.291  -5.303
   45    HA   SER  10           HA       SER  10   2.387   2.178  -2.710
   46   1HB   SER  10          HB2       SER  10  -0.216   3.414  -3.445
   47   2HB   SER  10          HB1       SER  10  -0.172   2.039  -2.344
   48    HG   SER  10           HG       SER  10   1.483   3.350  -1.193
   49    HA   PRO  11           HA       PRO  11   0.197  -1.355  -4.794
   50   1HB   PRO  11          HB2       PRO  11  -1.916  -1.037  -6.406
   51   2HB   PRO  11          HB1       PRO  11  -2.067  -0.913  -4.648
   52   1HG   PRO  11          HG2       PRO  11  -1.822   1.283  -6.680
   53   2HG   PRO  11          HG1       PRO  11  -2.954   1.145  -5.320
   54   1HD   PRO  11          HD2       PRO  11  -0.678   2.626  -5.186
   55   2HD   PRO  11          HD1       PRO  11  -1.378   1.806  -3.776
   56    H    GLY  12           HN       GLY  12   2.068  -1.665  -5.969
   57   1HA   GLY  12          HA2       GLY  12   2.706  -2.442  -8.190
   58   2HA   GLY  12          HA1       GLY  12   1.849  -1.054  -8.855
   59    H    ASN  13           HN       ASN  13   2.883   0.640  -6.664
   60    HA   ASN  13           HA       ASN  13   5.682   0.917  -7.530
   61   1HB   ASN  13          HB2       ASN  13   3.565   3.040  -7.181
   62   2HB   ASN  13          HB1       ASN  13   5.282   3.427  -7.140
   63   1HD2  ASN  13          HD21      ASN  13   2.852   1.792  -9.124
   64   2HD2  ASN  13          HD22      ASN  13   3.538   2.242 -10.645
   65    HA   PRO  14           HA       PRO  14   4.876  -0.174  -2.895
   66   1HB   PRO  14          HB2       PRO  14   7.732  -0.701  -3.523
   67   2HB   PRO  14          HB1       PRO  14   6.573  -1.691  -2.632
   68   1HG   PRO  14          HG2       PRO  14   7.284  -1.905  -5.387
   69   2HG   PRO  14          HG1       PRO  14   6.065  -2.836  -4.514
   70   1HD   PRO  14          HD2       PRO  14   5.518  -1.048  -6.551
   71   2HD   PRO  14          HD1       PRO  14   4.349  -1.543  -5.307
   72    H    CYS  15           HN       CYS  15   4.566   2.013  -2.380
   73    HA   CYS  15           HA       CYS  15   5.502   4.279  -2.278
   74   1HB   CYS  15          HB2       CYS  15   4.724   2.714  -0.127
   75   2HB   CYS  15          HB1       CYS  15   6.253   3.409   0.399
   76    H    CYS  16           HN       CYS  16   7.385   3.936  -3.706
   77    HA   CYS  16           HA       CYS  16   9.492   4.969  -3.792
   78   1HB   CYS  16          HB2       CYS  16  10.091   3.615  -1.172
   79   2HB   CYS  16          HB1       CYS  16  11.198   4.637  -2.073
   80    H    ASP  17           HN       ASP  17  10.482   4.148  -5.409
   81    HA   ASP  17           HA       ASP  17  12.005   1.765  -5.308
   82   1HB   ASP  17          HB2       ASP  17  10.712   0.539  -7.087
   83   2HB   ASP  17          HB1       ASP  17   9.909   0.604  -5.522
   84    H    ALA  18           HN       ALA  18  13.547   3.269  -6.051
   85    HA   ALA  18           HA       ALA  18  13.733   5.143  -7.831
   86   1HB   ALA  18          HB1       ALA  18  15.535   3.233  -6.928
   87   2HB   ALA  18          HB2       ALA  18  15.912   4.702  -7.828
   88   3HB   ALA  18          HB3       ALA  18  15.673   3.179  -8.685
   89    H    ALA  19           HN       ALA  19  13.329   1.783  -8.806
   90    HA   ALA  19           HA       ALA  19  11.828   2.500 -11.115
   91   1HB   ALA  19          HB1       ALA  19  13.961   1.112 -12.319
   92   2HB   ALA  19          HB2       ALA  19  14.661   2.426 -11.373
   93   3HB   ALA  19          HB3       ALA  19  13.442   2.774 -12.599
   94    H    THR  20           HN       THR  20  12.084   0.550  -8.728
   95    HA   THR  20           HA       THR  20  10.701  -1.597  -9.916
   96    HB   THR  20           HB       THR  20  12.549  -3.313  -9.169
   97    HG1  THR  20           HG1      THR  20  13.871  -1.301  -8.585
   98   1HG2  THR  20          HG21      THR  20  12.992  -3.721 -11.332
   99   2HG2  THR  20          HG22      THR  20  13.383  -2.038 -11.685
  100   3HG2  THR  20          HG23      THR  20  11.698  -2.550 -11.587
  101    H    CYS  21           HN       CYS  21   9.575  -2.712  -8.379
  102    HA   CYS  21           HA       CYS  21   9.037  -1.821  -5.931
  103   1HB   CYS  21          HB2       CYS  21   9.286  -4.713  -6.773
  104   2HB   CYS  21          HB1       CYS  21   8.537  -4.212  -5.264
  105    H    LYS  22           HN       LYS  22  10.767  -0.894  -4.845
  106    HA   LYS  22           HA       LYS  22  12.146  -2.557  -3.016
  107   1HB   LYS  22          HB2       LYS  22  13.449  -2.107  -5.532
  108   2HB   LYS  22          HB1       LYS  22  14.358  -1.302  -4.261
  109   1HG   LYS  22          HG2       LYS  22  14.667  -3.329  -3.073
  110   2HG   LYS  22          HG1       LYS  22  13.504  -4.178  -4.093
  111   1HD   LYS  22          HD2       LYS  22  15.408  -4.885  -5.110
  112   2HD   LYS  22          HD1       LYS  22  15.200  -3.368  -5.988
  113   1HE   LYS  22          HE2       LYS  22  16.626  -2.985  -3.497
  114   2HE   LYS  22          HE1       LYS  22  17.431  -4.162  -4.534
  115   1HZ   LYS  22          HZ1       LYS  22  18.315  -2.153  -5.213
  116   2HZ   LYS  22          HZ2       LYS  22  16.850  -1.322  -5.069
  117   3HZ   LYS  22          HZ3       LYS  22  17.086  -2.400  -6.350
  118    H    LEU  23           HN       LEU  23  13.011  -1.390  -1.312
  119    HA   LEU  23           HA       LEU  23  13.655   1.361  -1.436
  120   1HB   LEU  23          HB2       LEU  23  11.852   2.287  -0.080
  121   2HB   LEU  23          HB1       LEU  23  11.261   1.683  -1.610
  122    HG   LEU  23           HG       LEU  23  10.734   0.689   1.150
  123   1HD1  LEU  23          HD11      LEU  23   8.842   1.719   0.572
  124   2HD1  LEU  23          HD12      LEU  23   8.530   0.298  -0.425
  125   3HD1  LEU  23          HD13      LEU  23   9.264   1.733  -1.140
  126   1HD2  LEU  23          HD21      LEU  23  10.724  -1.005  -1.338
  127   2HD2  LEU  23          HD22      LEU  23   9.811  -1.406   0.117
  128   3HD2  LEU  23          HD23      LEU  23  11.570  -1.313   0.178
  129    H    ARG  24           HN       ARG  24  14.902   1.924   0.250
  130    HA   ARG  24           HA       ARG  24  15.876   0.031   2.024
  131   1HB   ARG  24          HB2       ARG  24  15.861   3.043   2.217
  132   2HB   ARG  24          HB1       ARG  24  16.751   2.009   3.327
  133   1HG   ARG  24          HG2       ARG  24  17.502   1.153   0.785
  134   2HG   ARG  24          HG1       ARG  24  17.462   2.915   0.690
  135   1HD   ARG  24          HD2       ARG  24  19.114   3.172   2.267
  136   2HD   ARG  24          HD1       ARG  24  18.765   1.626   3.040
  137    HE   ARG  24           HE       ARG  24  19.775   1.302   0.391
  138   1HH1  ARG  24          HH11      ARG  24  20.697   1.923   3.691
  139   2HH1  ARG  24          HH12      ARG  24  22.293   1.276   3.504
  140   1HH2  ARG  24          HH21      ARG  24  21.875   0.448   0.133
  141   2HH2  ARG  24          HH22      ARG  24  22.963   0.438   1.481
  142    H    GLN  25           HN       GLN  25  13.007   1.839   2.125
  143    HA   GLN  25           HA       GLN  25  12.570   1.277   4.967
  144   1HB   GLN  25          HB2       GLN  25  10.808   2.885   3.112
  145   2HB   GLN  25          HB1       GLN  25  10.758   2.850   4.869
  146   1HG   GLN  25          HG2       GLN  25  13.337   3.660   3.747
  147   2HG   GLN  25          HG1       GLN  25  11.999   4.747   3.379
  148   1HE2  GLN  25          HE21      GLN  25  14.332   3.926   5.613
  149   2HE2  GLN  25          HE22      GLN  25  13.720   4.799   6.973
  150    H    GLY  26           HN       GLY  26   9.562   1.465   4.233
  151   1HA   GLY  26          HA2       GLY  26   9.206  -1.099   2.889
  152   2HA   GLY  26          HA1       GLY  26   8.680  -1.006   4.562
  153    H    ALA  27           HN       ALA  27   7.918  -0.343   1.316
  154    HA   ALA  27           HA       ALA  27   5.812   1.542   1.807
  155   1HB   ALA  27          HB1       ALA  27   6.686  -0.019  -0.597
  156   2HB   ALA  27          HB2       ALA  27   6.843   1.709  -0.291
  157   3HB   ALA  27          HB3       ALA  27   5.255   1.006  -0.607
  158    H    GLN  28           HN       GLN  28   5.970  -1.506   2.722
  159    HA   GLN  28           HA       GLN  28   4.248  -3.262   2.016
  160   1HB   GLN  28          HB2       GLN  28   4.044  -1.970   4.737
  161   2HB   GLN  28          HB1       GLN  28   3.454  -3.569   4.332
  162   1HG   GLN  28          HG2       GLN  28   5.479  -4.488   4.490
  163   2HG   GLN  28          HG1       GLN  28   6.261  -3.134   3.676
  164   1HE2  GLN  28          HE21      GLN  28   7.267  -4.512   5.933
  165   2HE2  GLN  28          HE22      GLN  28   7.353  -3.388   7.242
  166    H    CYS  29           HN       CYS  29   2.677  -0.957   4.120
  167    HA   CYS  29           HA       CYS  29   0.408  -0.733   2.281
  168   1HB   CYS  29          HB2       CYS  29   0.367  -1.358   5.236
  169   2HB   CYS  29          HB1       CYS  29  -1.030  -0.677   4.409
  170    H    ALA  30           HN       ALA  30   2.587   0.942   2.550
  171    HA   ALA  30           HA       ALA  30   2.361   3.072   4.349
  172   1HB   ALA  30          HB1       ALA  30   3.856   4.267   2.935
  173   2HB   ALA  30          HB2       ALA  30   3.388   3.313   1.528
  174   3HB   ALA  30          HB3       ALA  30   4.304   2.565   2.836
  175    H    GLU  31           HN       GLU  31   2.333   5.182   2.086
  176    HA   GLU  31           HA       GLU  31  -0.090   6.344   2.452
  177   1HB   GLU  31          HB2       GLU  31   1.895   7.078   0.934
  178   2HB   GLU  31          HB1       GLU  31   1.047   6.209  -0.337
  179   1HG   GLU  31          HG2       GLU  31  -0.977   7.652   0.328
  180   2HG   GLU  31          HG1       GLU  31   0.211   8.670   1.142
  181    H    GLY  32           HN       GLY  32   0.730   3.620   0.528
  182   1HA   GLY  32          HA2       GLY  32  -2.014   2.746   0.384
  183   2HA   GLY  32          HA1       GLY  32  -1.252   3.055  -1.171
  184    H    LEU  33           HN       LEU  33  -1.485   0.734  -1.608
  185    HA   LEU  33           HA       LEU  33  -0.168  -1.106   0.106
  186   1HB   LEU  33          HB2       LEU  33  -1.918  -1.285  -2.057
  187   2HB   LEU  33          HB1       LEU  33  -0.464  -2.114  -2.580
  188    HG   LEU  33           HG       LEU  33  -2.380  -3.412  -1.355
  189   1HD1  LEU  33          HD11      LEU  33  -0.914  -5.100  -1.118
  190   2HD1  LEU  33          HD12      LEU  33   0.242  -4.111  -0.226
  191   3HD1  LEU  33          HD13      LEU  33   0.143  -3.984  -1.982
  192   1HD2  LEU  33          HD21      LEU  33  -0.845  -3.052   1.109
  193   2HD2  LEU  33          HD22      LEU  33  -2.583  -3.211   0.870
  194   3HD2  LEU  33          HD23      LEU  33  -1.805  -1.649   0.643
  195    H    CYS  34           HN       CYS  34   1.353  -2.794  -1.251
  196    HA   CYS  34           HA       CYS  34   3.505  -1.339  -2.563
  197   1HB   CYS  34          HB2       CYS  34   4.984  -1.596  -0.899
  198   2HB   CYS  34          HB1       CYS  34   3.625  -2.016   0.119
  199    H    CYS  35           HN       CYS  35   5.349  -3.259  -2.864
  200    HA   CYS  35           HA       CYS  35   4.115  -5.701  -3.771
  201   1HB   CYS  35          HB2       CYS  35   3.821  -4.977  -5.884
  202   2HB   CYS  35          HB1       CYS  35   4.800  -3.546  -5.614
  203    H    ASP  36           HN       ASP  36   6.983  -3.818  -3.244
  204    HA   ASP  36           HA       ASP  36   8.819  -5.935  -3.764
  205   1HB   ASP  36          HB2       ASP  36  10.491  -4.413  -3.284
  206   2HB   ASP  36          HB1       ASP  36   9.180  -3.363  -3.800
  207    H    GLN  37           HN       GLN  37  10.597  -6.056  -1.804
  208    HA   GLN  37           HA       GLN  37   9.686  -7.955  -0.063
  209   1HB   GLN  37          HB2       GLN  37  11.985  -6.028   0.159
  210   2HB   GLN  37          HB1       GLN  37  11.687  -7.251   1.386
  211   1HG   GLN  37          HG2       GLN  37  11.842  -8.987  -0.369
  212   2HG   GLN  37          HG1       GLN  37  12.267  -7.727  -1.527
  213   1HE2  GLN  37          HE21      GLN  37  13.246  -8.971   1.646
  214   2HE2  GLN  37          HE22      GLN  37  14.943  -8.772   1.393
  215    H    CYS  38           HN       CYS  38   9.224  -4.566   0.118
  216    HA   CYS  38           HA       CYS  38   9.006  -3.665   2.556
  217   1HB   CYS  38          HB2       CYS  38   6.442  -3.067   1.821
  218   2HB   CYS  38          HB1       CYS  38   7.864  -2.193   1.268
  219    H    ARG  39           HN       ARG  39   6.630  -5.960   1.274
  220    HA   ARG  39           HA       ARG  39   5.606  -7.723   2.398
  221   1HB   ARG  39          HB2       ARG  39   7.470  -7.059   4.278
  222   2HB   ARG  39          HB1       ARG  39   5.980  -6.663   5.126
  223   1HG   ARG  39          HG2       ARG  39   5.730  -9.214   3.838
  224   2HG   ARG  39          HG1       ARG  39   7.178  -9.175   4.845
  225   1HD   ARG  39          HD2       ARG  39   5.938  -9.392   6.673
  226   2HD   ARG  39          HD1       ARG  39   5.050  -7.924   6.265
  227    HE   ARG  39           HE       ARG  39   3.900  -9.823   4.705
  228   1HH1  ARG  39          HH11      ARG  39   4.547  -9.562   8.116
  229   2HH1  ARG  39          HH12      ARG  39   3.180 -10.519   8.581
  230   1HH2  ARG  39          HH21      ARG  39   2.097 -11.085   5.304
  231   2HH2  ARG  39          HH22      ARG  39   1.787 -11.386   6.981
  232    H    PHE  40           HN       PHE  40   3.951  -7.450   4.726
  233    HA   PHE  40           HA       PHE  40   2.459  -5.008   4.461
  234   1HB   PHE  40          HB2       PHE  40   1.027  -7.508   3.603
  235   2HB   PHE  40          HB1       PHE  40   0.478  -5.837   3.481
  236    HD1  PHE  40           HD1      PHE  40   1.202  -4.416   1.721
  237    HD2  PHE  40           HD2      PHE  40   2.753  -8.361   2.080
  238    HE1  PHE  40           HE1      PHE  40   2.193  -4.231  -0.509
  239    HE2  PHE  40           HE2      PHE  40   3.742  -8.179  -0.161
  240    HZ   PHE  40           HZ       PHE  40   3.469  -6.101  -1.451
  241    H    MET  41           HN       MET  41   0.927  -4.684   6.045
  242    HA   MET  41           HA       MET  41   1.355  -5.737   8.531
  243   1HB   MET  41          HB2       MET  41  -0.521  -3.954   7.327
  244   2HB   MET  41          HB1       MET  41  -1.397  -5.032   8.404
  245   1HG   MET  41          HG2       MET  41   1.012  -3.408   9.185
  246   2HG   MET  41          HG1       MET  41  -0.662  -2.949   9.491
  247   1HE   MET  41          HE1       MET  41   1.325  -3.836  12.699
  248   2HE   MET  41          HE2       MET  41   1.873  -3.232  11.135
  249   3HE   MET  41          HE3       MET  41   2.297  -4.866  11.647
  250    H    LYS  42           HN       LYS  42  -1.815  -6.277   7.104
  251    HA   LYS  42           HA       LYS  42  -2.447  -8.596   6.457
  252   1HB   LYS  42          HB2       LYS  42  -0.709  -9.730   7.731
  253   2HB   LYS  42          HB1       LYS  42  -1.401  -9.146   9.238
  254   1HG   LYS  42          HG2       LYS  42  -1.998 -11.451   8.911
  255   2HG   LYS  42          HG1       LYS  42  -3.442 -10.445   8.774
  256   1HD   LYS  42          HD2       LYS  42  -3.813 -11.568   6.870
  257   2HD   LYS  42          HD1       LYS  42  -2.555 -10.535   6.188
  258   1HE   LYS  42          HE2       LYS  42  -2.001 -12.777   5.623
  259   2HE   LYS  42          HE1       LYS  42  -0.885 -12.271   6.891
  260   1HZ   LYS  42          HZ1       LYS  42  -2.714 -14.429   6.889
  261   2HZ   LYS  42          HZ2       LYS  42  -3.067 -13.386   8.173
  262   3HZ   LYS  42          HZ3       LYS  42  -1.517 -14.049   8.025
  263    H    GLU  43           HN       GLU  43  -2.936  -6.250   8.797
  264    HA   GLU  43           HA       GLU  43  -5.738  -7.085   9.113
  265   1HB   GLU  43          HB2       GLU  43  -4.464  -7.443  11.213
  266   2HB   GLU  43          HB1       GLU  43  -4.054  -5.734  11.230
  267   1HG   GLU  43          HG2       GLU  43  -6.254  -5.090  11.670
  268   2HG   GLU  43          HG1       GLU  43  -6.903  -6.655  11.184
  269    H    GLY  44           HN       GLY  44  -7.133  -5.652   8.405
  270   1HA   GLY  44          HA2       GLY  44  -7.275  -3.664   6.935
  271   2HA   GLY  44          HA1       GLY  44  -8.009  -3.381   8.498
  272    H    THR  45           HN       THR  45  -4.907  -3.100   6.787
  273    HA   THR  45           HA       THR  45  -4.194  -0.880   8.530
  274    HB   THR  45           HB       THR  45  -2.530  -1.877   6.255
  275    HG1  THR  45           HG1      THR  45  -3.289  -3.622   7.694
  276   1HG2  THR  45          HG21      THR  45  -0.880  -1.460   8.351
  277   2HG2  THR  45          HG22      THR  45  -2.110  -0.224   8.621
  278   3HG2  THR  45          HG23      THR  45  -1.229  -0.274   7.093
  279    H    ILE  46           HN       ILE  46  -3.741  -1.258   5.067
  280    HA   ILE  46           HA       ILE  46  -5.540   0.659   4.190
  281    HB   ILE  46           HB       ILE  46  -3.199   1.850   5.364
  282   1HG1  ILE  46          HG12      ILE  46  -4.730   3.863   4.243
  283   2HG1  ILE  46          HG11      ILE  46  -5.883   2.552   4.468
  284   1HG2  ILE  46          HG21      ILE  46  -2.748   3.476   3.472
  285   2HG2  ILE  46          HG22      ILE  46  -3.497   2.284   2.409
  286   3HG2  ILE  46          HG23      ILE  46  -2.044   1.866   3.316
  287   1HD1  ILE  46          HD11      ILE  46  -4.185   2.967   6.787
  288   2HD1  ILE  46          HD12      ILE  46  -5.941   2.854   6.667
  289   3HD1  ILE  46          HD13      ILE  46  -5.132   4.390   6.355
  290    H    CYS  47           HN       CYS  47  -5.861  -0.670   2.492
  291    HA   CYS  47           HA       CYS  47  -3.606  -1.479   0.862
  292   1HB   CYS  47          HB2       CYS  47  -5.512  -3.013   1.559
  293   2HB   CYS  47          HB1       CYS  47  -6.439  -2.210   0.293
  294    H    ARG  48           HN       ARG  48  -5.052   1.262   1.005
  295    HA   ARG  48           HA       ARG  48  -6.292   2.451  -0.811
  296   1HB   ARG  48          HB2       ARG  48  -3.324   2.922  -0.898
  297   2HB   ARG  48          HB1       ARG  48  -4.585   4.076  -1.303
  298   1HG   ARG  48          HG2       ARG  48  -4.977   3.073   1.356
  299   2HG   ARG  48          HG1       ARG  48  -3.343   3.703   1.172
  300   1HD   ARG  48          HD2       ARG  48  -5.847   5.195   0.400
  301   2HD   ARG  48          HD1       ARG  48  -4.995   5.402   1.929
  302    HE   ARG  48           HE       ARG  48  -3.272   5.773  -0.310
  303   1HH1  ARG  48          HH11      ARG  48  -5.725   7.328   1.612
  304   2HH1  ARG  48          HH12      ARG  48  -5.149   8.928   1.284
  305   1HH2  ARG  48          HH21      ARG  48  -2.502   7.872  -0.741
  306   2HH2  ARG  48          HH22      ARG  48  -3.316   9.239  -0.055
  307    H    ARG  49           HN       ARG  49  -6.997   2.096  -2.821
  308    HA   ARG  49           HA       ARG  49  -5.213   0.637  -4.626
  309   1HB   ARG  49          HB2       ARG  49  -8.196   0.872  -4.500
  310   2HB   ARG  49          HB1       ARG  49  -7.377   0.227  -5.917
  311   1HG   ARG  49          HG2       ARG  49  -6.343  -1.499  -4.531
  312   2HG   ARG  49          HG1       ARG  49  -7.178  -0.857  -3.118
  313   1HD   ARG  49          HD2       ARG  49  -9.151  -1.781  -3.705
  314   2HD   ARG  49          HD1       ARG  49  -8.907  -1.452  -5.419
  315    HE   ARG  49           HE       ARG  49  -8.231  -3.865  -3.997
  316   1HH1  ARG  49          HH11      ARG  49  -7.632  -1.915  -6.819
  317   2HH1  ARG  49          HH12      ARG  49  -7.046  -3.238  -7.770
  318   1HH2  ARG  49          HH21      ARG  49  -7.459  -5.616  -5.240
  319   2HH2  ARG  49          HH22      ARG  49  -6.948  -5.343  -6.872
  320    H    ALA  50           HN       ALA  50  -6.604   3.766  -4.290
  321    HA   ALA  50           HA       ALA  50  -5.305   4.542  -6.745
  322   1HB   ALA  50          HB1       ALA  50  -8.099   3.897  -6.806
  323   2HB   ALA  50          HB2       ALA  50  -7.021   4.345  -8.128
  324   3HB   ALA  50          HB3       ALA  50  -7.851   5.597  -7.205
  325    H    ARG  51           HN       ARG  51  -5.963   6.940  -7.283
  326    HA   ARG  51           HA       ARG  51  -6.240   8.436  -4.778
  327   1HB   ARG  51          HB2       ARG  51  -4.241   9.163  -6.912
  328   2HB   ARG  51          HB1       ARG  51  -4.408   9.873  -5.312
  329   1HG   ARG  51          HG2       ARG  51  -3.896   7.468  -4.476
  330   2HG   ARG  51          HG1       ARG  51  -3.248   7.239  -6.101
  331   1HD   ARG  51          HD2       ARG  51  -2.212   9.681  -5.264
  332   2HD   ARG  51          HD1       ARG  51  -2.119   8.647  -3.839
  333    HE   ARG  51           HE       ARG  51  -1.079   7.044  -5.684
  334   1HH1  ARG  51          HH11      ARG  51  -0.503  10.417  -5.042
  335   2HH1  ARG  51          HH12      ARG  51   1.135  10.379  -5.603
  336   1HH2  ARG  51          HH21      ARG  51   1.077   6.980  -6.425
  337   2HH2  ARG  51          HH22      ARG  51   2.034   8.423  -6.391
  338    H    GLY  52           HN       GLY  52  -6.003   8.861  -8.314
  339   1HA   GLY  52          HA2       GLY  52  -7.068  11.269  -8.762
  340   2HA   GLY  52          HA1       GLY  52  -7.549   9.882  -9.728
  341    H    ASP  53           HN       ASP  53  -8.871   8.532  -7.523
  342    HA   ASP  53           HA       ASP  53 -10.881  10.184  -6.404
  343   1HB   ASP  53          HB2       ASP  53 -11.307   9.326  -9.116
  344   2HB   ASP  53          HB1       ASP  53 -12.500   8.570  -8.064
  345    H    ASP  54           HN       ASP  54  -9.310   8.398  -5.188
  346    HA   ASP  54           HA       ASP  54 -11.219   6.400  -4.293
  347   1HB   ASP  54          HB2       ASP  54  -8.524   5.688  -5.439
  348   2HB   ASP  54          HB1       ASP  54  -9.476   4.589  -4.447
  349    H    LEU  55           HN       LEU  55  -7.781   6.086  -3.768
  350    HA   LEU  55           HA       LEU  55  -6.514   6.188  -1.884
  351   1HB   LEU  55          HB2       LEU  55  -8.355   8.486  -1.213
  352   2HB   LEU  55          HB1       LEU  55  -6.824   8.144  -0.426
  353    HG   LEU  55           HG       LEU  55  -7.200   8.926  -3.312
  354   1HD1  LEU  55          HD11      LEU  55  -7.532  10.733  -1.664
  355   2HD1  LEU  55          HD12      LEU  55  -6.131  10.985  -2.706
  356   3HD1  LEU  55          HD13      LEU  55  -5.908  10.426  -1.048
  357   1HD2  LEU  55          HD21      LEU  55  -4.595   8.607  -1.851
  358   2HD2  LEU  55          HD22      LEU  55  -4.865   8.795  -3.581
  359   3HD2  LEU  55          HD23      LEU  55  -5.320   7.295  -2.776
  360    H    ASP  56           HN       ASP  56  -8.926   4.562  -1.987
  361    HA   ASP  56           HA       ASP  56  -9.365   4.262   0.902
  362   1HB   ASP  56          HB2       ASP  56 -11.337   4.262  -1.352
  363   2HB   ASP  56          HB1       ASP  56 -11.667   3.330   0.105
  364    H    ASP  57           HN       ASP  57  -9.150   2.268   1.692
  365    HA   ASP  57           HA       ASP  57  -9.694  -0.162   0.796
  366   1HB   ASP  57          HB2       ASP  57  -7.576   0.916  -0.879
  367   2HB   ASP  57          HB1       ASP  57  -7.122  -0.598  -0.116
  368    H    TYR  58           HN       TYR  58  -9.069  -1.688   2.231
  369    HA   TYR  58           HA       TYR  58  -7.122  -0.869   4.278
  370   1HB   TYR  58          HB2       TYR  58  -9.631  -2.504   4.401
  371   2HB   TYR  58          HB1       TYR  58  -8.382  -2.718   5.621
  372    HD1  TYR  58           HD1      TYR  58  -9.998  -2.004   7.343
  373    HD2  TYR  58           HD2      TYR  58  -8.834   0.586   4.180
  374    HE1  TYR  58           HE1      TYR  58 -10.906  -0.086   8.585
  375    HE2  TYR  58           HE2      TYR  58  -9.737   2.511   5.411
  376    HH   TYR  58           HH       TYR  58 -11.834   2.309   7.857
  377    H    CYS  59           HN       CYS  59  -5.683  -2.386   5.145
  378    HA   CYS  59           HA       CYS  59  -4.885  -4.467   3.265
  379   1HB   CYS  59          HB2       CYS  59  -3.554  -3.045   5.523
  380   2HB   CYS  59          HB1       CYS  59  -2.873  -4.534   4.904
  381    H    ASN  60           HN       ASN  60  -5.417  -6.518   3.587
  382    HA   ASN  60           HA       ASN  60  -5.597  -7.569   6.310
  383   1HB   ASN  60          HB2       ASN  60  -7.541  -8.471   4.204
  384   2HB   ASN  60          HB1       ASN  60  -7.652  -8.648   5.952
  385   1HD2  ASN  60          HD21      ASN  60  -6.921  -5.964   6.579
  386   2HD2  ASN  60          HD22      ASN  60  -8.235  -4.945   6.110
  387    H    GLY  61           HN       GLY  61  -6.160  -8.886   3.108
  388   1HA   GLY  61          HA2       GLY  61  -4.043 -10.883   3.580
  389   2HA   GLY  61          HA1       GLY  61  -5.333 -11.026   2.381
  390    H    ILE  62           HN       ILE  62  -3.690  -8.088   2.985
  391    HA   ILE  62           HA       ILE  62  -3.037  -7.615   0.297
  392    HB   ILE  62           HB       ILE  62  -1.754  -5.651   1.312
  393   1HG1  ILE  62          HG12      ILE  62  -1.753  -5.254   3.551
  394   2HG1  ILE  62          HG11      ILE  62  -3.341  -5.961   3.780
  395   1HG2  ILE  62          HG21      ILE  62  -4.114  -5.746   0.406
  396   2HG2  ILE  62          HG22      ILE  62  -3.761  -4.442   1.540
  397   3HG2  ILE  62          HG23      ILE  62  -4.642  -5.863   2.080
  398   1HD1  ILE  62          HD11      ILE  62  -2.311  -7.581   4.865
  399   2HD1  ILE  62          HD12      ILE  62  -0.731  -7.056   4.304
  400   3HD1  ILE  62          HD13      ILE  62  -1.692  -8.145   3.324
  401    H    SER  63           HN       SER  63  -1.591  -9.048  -0.582
  402    HA   SER  63           HA       SER  63   1.061  -9.198   0.670
  403   1HB   SER  63          HB2       SER  63   1.447 -11.172  -0.522
  404   2HB   SER  63          HB1       SER  63  -0.252 -11.285  -0.064
  405    HG   SER  63           HG       SER  63   0.635 -11.571  -2.439
  406    H    ALA  64           HN       ALA  64  -0.291  -7.043  -0.994
  407    HA   ALA  64           HA       ALA  64   1.304  -5.412  -1.975
  408   1HB   ALA  64          HB1       ALA  64   2.346  -5.978  -4.087
  409   2HB   ALA  64          HB2       ALA  64   1.707  -7.616  -3.974
  410   3HB   ALA  64          HB3       ALA  64   2.897  -7.054  -2.806
  411    H    GLY  65           HN       GLY  65  -1.282  -7.438  -2.798
  412   1HA   GLY  65          HA2       GLY  65  -2.270  -5.579  -4.851
  413   2HA   GLY  65          HA1       GLY  65  -2.901  -7.192  -4.538
  414    H    CYS  66           HN       CYS  66  -4.630  -7.389  -3.273
  415    HA   CYS  66           HA       CYS  66  -5.278  -5.787  -1.081
  416   1HB   CYS  66          HB2       CYS  66  -6.588  -5.012  -3.659
  417   2HB   CYS  66          HB1       CYS  66  -7.495  -4.891  -2.159
  418    HA   PRO  67           HA       PRO  67  -7.730  -9.307  -0.201
  419   1HB   PRO  67          HB2       PRO  67  -9.348  -8.251   1.718
  420   2HB   PRO  67          HB1       PRO  67  -7.650  -8.650   2.001
  421   1HG   PRO  67          HG2       PRO  67  -8.893  -5.995   1.382
  422   2HG   PRO  67          HG1       PRO  67  -7.649  -6.394   2.581
  423   1HD   PRO  67          HD2       PRO  67  -7.040  -5.284   0.204
  424   2HD   PRO  67          HD1       PRO  67  -5.969  -6.451   1.002
  425    H    ARG  68           HN       ARG  68 -10.362  -9.345   0.618
  426    HA   ARG  68           HA       ARG  68 -11.818  -8.189  -1.667
  427   1HB   ARG  68          HB2       ARG  68 -12.026 -10.950  -0.475
  428   2HB   ARG  68          HB1       ARG  68 -13.287 -10.267  -1.492
  429   1HG   ARG  68          HG2       ARG  68 -10.600 -10.101  -2.638
  430   2HG   ARG  68          HG1       ARG  68 -11.188 -11.745  -2.380
  431   1HD   ARG  68          HD2       ARG  68 -11.836 -11.086  -4.578
  432   2HD   ARG  68          HD1       ARG  68 -13.285 -11.093  -3.574
  433    HE   ARG  68           HE       ARG  68 -12.435  -8.524  -3.439
  434   1HH1  ARG  68          HH11      ARG  68 -13.112 -10.701  -6.070
  435   2HH1  ARG  68          HH12      ARG  68 -13.600  -9.444  -7.157
  436   1HH2  ARG  68          HH21      ARG  68 -13.075  -6.859  -4.861
  437   2HH2  ARG  68          HH22      ARG  68 -13.578  -7.259  -6.469
  438    H    ASN  69           HN       ASN  69 -12.000  -6.525   0.198
  439    HA   ASN  69           HA       ASN  69 -14.564  -7.032   1.522
  440   1HB   ASN  69          HB2       ASN  69 -12.042  -6.061   2.859
  441   2HB   ASN  69          HB1       ASN  69 -13.639  -5.778   3.546
  442   1HD2  ASN  69          HD21      ASN  69 -11.132  -8.049   2.993
  443   2HD2  ASN  69          HD22      ASN  69 -11.838  -9.373   3.848
  444    HA   PRO  70           HA       PRO  70 -15.827  -3.146  -0.099
  445   1HB   PRO  70          HB2       PRO  70 -17.065  -2.728   2.578
  446   2HB   PRO  70          HB1       PRO  70 -17.796  -2.632   0.972
  447   1HG   PRO  70          HG2       PRO  70 -18.252  -4.731   2.543
  448   2HG   PRO  70          HG1       PRO  70 -18.029  -4.934   0.795
  449   1HD   PRO  70          HD2       PRO  70 -16.133  -5.509   3.029
  450   2HD   PRO  70          HD1       PRO  70 -16.384  -6.386   1.506
  451    H    PHE  71           HN       PHE  71 -14.619  -1.390  -0.305
  452    HA   PHE  71           HA       PHE  71 -13.618  -0.042   2.102
  453   1HB   PHE  71          HB2       PHE  71 -11.962  -0.593  -0.371
  454   2HB   PHE  71          HB1       PHE  71 -11.445   0.335   1.033
  455    HD1  PHE  71           HD1      PHE  71 -12.639  -1.455   3.156
  456    HD2  PHE  71           HD2      PHE  71 -10.372  -2.312  -0.341
  457    HE1  PHE  71           HE1      PHE  71 -11.814  -3.523   4.203
  458    HE2  PHE  71           HE2      PHE  71  -9.543  -4.382   0.699
  459    HZ   PHE  71           HZ       PHE  71 -10.264  -4.990   2.974
  460    H    HIS  72           HN       HIS  72 -12.432   1.076  -0.940
  461    HA   HIS  72           HA       HIS  72 -13.345   3.627  -0.778
  462   1HB   HIS  72          HB2       HIS  72 -11.737   2.833  -2.474
  463   2HB   HIS  72          HB1       HIS  72 -13.044   2.021  -3.327
  464    HD1  HIS  72           HD1      HIS  72 -13.278   3.328  -5.428
  465    HD2  HIS  72           HD2      HIS  72 -13.018   5.778  -2.082
  466    HE1  HIS  72           HE1      HIS  72 -13.675   5.663  -6.273
  467    HE2  HIS  72           HE2      HIS  72 -13.536   7.128  -4.228
  468    H    ALA  73           HN       ALA  73 -15.402   4.082  -0.197
  469    HA   ALA  73           HA       ALA  73 -17.668   4.292  -0.303
  470   1HB   ALA  73          HB1       ALA  73 -16.737   4.986  -2.719
  471   2HB   ALA  73          HB2       ALA  73 -18.449   5.018  -2.298
  472   3HB   ALA  73          HB3       ALA  73 -17.784   3.645  -3.183
  Start of MODEL    9
    1   1H    GLU   1           HT1      GLU   1  -5.040   5.693  12.936
    2   2H    GLU   1           HT2      GLU   1  -4.179   6.655  11.806
    3   3H    GLU   1           HT3      GLU   1  -3.421   5.300  12.536
    4    HA   GLU   1           HA       GLU   1  -5.655   4.273  11.432
    5   1HB   GLU   1          HB2       GLU   1  -4.643   6.634   9.942
    6   2HB   GLU   1          HB1       GLU   1  -5.026   5.207   8.990
    7   1HG   GLU   1          HG2       GLU   1  -7.174   5.582  10.760
    8   2HG   GLU   1          HG1       GLU   1  -6.780   7.168  10.099
    9    H    ALA   2           HN       ALA   2  -4.930   3.115   9.228
   10    HA   ALA   2           HA       ALA   2  -2.619   1.585   9.940
   11   1HB   ALA   2          HB1       ALA   2  -3.692   0.053   8.749
   12   2HB   ALA   2          HB2       ALA   2  -3.428   0.999   7.284
   13   3HB   ALA   2          HB3       ALA   2  -4.878   1.260   8.254
   14    H    GLY   3           HN       GLY   3  -3.411   3.587   7.086
   15   1HA   GLY   3          HA2       GLY   3  -0.503   3.977   6.720
   16   2HA   GLY   3          HA1       GLY   3  -1.623   3.827   5.373
   17    H    GLU   4           HN       GLU   4  -2.365   5.689   4.488
   18    HA   GLU   4           HA       GLU   4  -2.985   7.874   4.278
   19   1HB   GLU   4          HB2       GLU   4  -2.595   8.284   7.229
   20   2HB   GLU   4          HB1       GLU   4  -3.704   9.109   6.141
   21   1HG   GLU   4          HG2       GLU   4  -3.913   6.353   7.293
   22   2HG   GLU   4          HG1       GLU   4  -5.049   7.696   7.421
   23    H    GLU   5           HN       GLU   5  -0.440   7.593   6.775
   24    HA   GLU   5           HA       GLU   5   0.859   9.998   6.018
   25   1HB   GLU   5          HB2       GLU   5   2.208   7.715   7.438
   26   2HB   GLU   5          HB1       GLU   5   2.515   9.439   7.600
   27   1HG   GLU   5          HG2       GLU   5   0.219   9.651   8.590
   28   2HG   GLU   5          HG1       GLU   5   0.150   7.890   8.617
   29    H    CYS   6           HN       CYS   6   3.486   9.546   5.734
   30    HA   CYS   6           HA       CYS   6   5.135   8.988   4.262
   31   1HB   CYS   6          HB2       CYS   6   4.389   6.643   4.782
   32   2HB   CYS   6          HB1       CYS   6   3.329   6.727   3.379
   33    H    ASP   7           HN       ASP   7   5.644   9.900   2.339
   34    HA   ASP   7           HA       ASP   7   3.485  10.236   0.369
   35   1HB   ASP   7          HB2       ASP   7   5.401  12.353   1.354
   36   2HB   ASP   7          HB1       ASP   7   4.403  12.534  -0.085
   37    H    CYS   8           HN       CYS   8   5.116   8.203  -0.062
   38    HA   CYS   8           HA       CYS   8   6.982   9.202  -2.115
   39   1HB   CYS   8          HB2       CYS   8   7.318   6.734  -0.402
   40   2HB   CYS   8          HB1       CYS   8   8.370   7.217  -1.721
   41    H    GLY   9           HN       GLY   9   4.279   7.259  -1.410
   42   1HA   GLY   9          HA2       GLY   9   3.015   6.589  -3.454
   43   2HA   GLY   9          HA1       GLY   9   4.528   5.880  -4.011
   44    H    SER  10           HN       SER  10   2.884   3.957  -4.107
   45    HA   SER  10           HA       SER  10   3.584   2.247  -1.991
   46   1HB   SER  10          HB2       SER  10   0.899   3.510  -1.860
   47   2HB   SER  10          HB1       SER  10   1.111   1.854  -1.303
   48    HG   SER  10           HG       SER  10   2.559   2.558   0.215
   49    HA   PRO  11           HA       PRO  11   0.733  -0.475  -4.579
   50   1HB   PRO  11          HB2       PRO  11  -1.153   0.637  -6.161
   51   2HB   PRO  11          HB1       PRO  11  -1.419   0.294  -4.448
   52   1HG   PRO  11          HG2       PRO  11  -0.689   2.885  -5.766
   53   2HG   PRO  11          HG1       PRO  11  -1.900   2.575  -4.506
   54   1HD   PRO  11          HD2       PRO  11   0.553   3.563  -3.937
   55   2HD   PRO  11          HD1       PRO  11  -0.314   2.479  -2.828
   56    H    GLY  12           HN       GLY  12   2.563  -0.928  -5.757
   57   1HA   GLY  12          HA2       GLY  12   3.367  -1.360  -7.954
   58   2HA   GLY  12          HA1       GLY  12   2.546   0.094  -8.511
   59    H    ASN  13           HN       ASN  13   3.509   1.661  -6.258
   60    HA   ASN  13           HA       ASN  13   6.369   1.867  -6.909
   61   1HB   ASN  13          HB2       ASN  13   4.423   4.165  -6.569
   62   2HB   ASN  13          HB1       ASN  13   6.160   4.325  -6.813
   63   1HD2  ASN  13          HD21      ASN  13   7.049   3.721  -8.829
   64   2HD2  ASN  13          HD22      ASN  13   6.073   3.687 -10.254
   65    HA   PRO  14           HA       PRO  14   5.305   0.796  -2.353
   66   1HB   PRO  14          HB2       PRO  14   8.230   0.497  -2.942
   67   2HB   PRO  14          HB1       PRO  14   7.193  -0.479  -1.898
   68   1HG   PRO  14          HG2       PRO  14   7.831  -1.114  -4.516
   69   2HG   PRO  14          HG1       PRO  14   6.431  -1.739  -3.634
   70   1HD   PRO  14          HD2       PRO  14   6.407  -0.036  -5.910
   71   2HD   PRO  14          HD1       PRO  14   5.018  -0.537  -4.923
   72    H    CYS  15           HN       CYS  15   5.147   2.389  -0.971
   73    HA   CYS  15           HA       CYS  15   5.866   4.940  -1.143
   74   1HB   CYS  15          HB2       CYS  15   4.942   3.323   0.917
   75   2HB   CYS  15          HB1       CYS  15   6.387   4.078   1.581
   76    H    CYS  16           HN       CYS  16   7.752   5.415  -2.106
   77    HA   CYS  16           HA       CYS  16   9.847   6.237  -2.040
   78   1HB   CYS  16          HB2       CYS  16   9.403   5.594   0.716
   79   2HB   CYS  16          HB1       CYS  16  11.075   5.264   0.279
   80    H    ASP  17           HN       ASP  17   9.333   3.892  -3.403
   81    HA   ASP  17           HA       ASP  17  11.300   1.902  -2.853
   82   1HB   ASP  17          HB2       ASP  17  10.807   1.302  -5.338
   83   2HB   ASP  17          HB1       ASP  17   9.530   1.094  -4.144
   84    H    ALA  18           HN       ALA  18  11.454   5.016  -4.157
   85    HA   ALA  18           HA       ALA  18  13.294   6.233  -4.790
   86   1HB   ALA  18          HB1       ALA  18  14.484   3.919  -3.829
   87   2HB   ALA  18          HB2       ALA  18  15.303   5.409  -4.296
   88   3HB   ALA  18          HB3       ALA  18  15.129   4.097  -5.461
   89    H    ALA  19           HN       ALA  19  12.820   3.188  -6.503
   90    HA   ALA  19           HA       ALA  19  12.110   4.442  -8.934
   91   1HB   ALA  19          HB1       ALA  19  14.033   4.604 -10.034
   92   2HB   ALA  19          HB2       ALA  19  14.485   2.953  -9.607
   93   3HB   ALA  19          HB3       ALA  19  14.855   4.282  -8.507
   94    H    THR  20           HN       THR  20  13.248   1.606  -7.220
   95    HA   THR  20           HA       THR  20  11.297  -0.018  -8.665
   96    HB   THR  20           HB       THR  20  14.250  -0.507  -8.493
   97    HG1  THR  20           HG1      THR  20  13.075   0.295 -10.406
   98   1HG2  THR  20          HG21      THR  20  12.127  -2.605  -8.518
   99   2HG2  THR  20          HG22      THR  20  13.632  -2.545  -7.600
  100   3HG2  THR  20          HG23      THR  20  13.668  -2.862  -9.335
  101    H    CYS  21           HN       CYS  21  10.068  -1.044  -7.262
  102    HA   CYS  21           HA       CYS  21   9.686  -0.942  -4.737
  103   1HB   CYS  21          HB2       CYS  21   9.991  -3.657  -6.034
  104   2HB   CYS  21          HB1       CYS  21   9.059  -3.314  -4.582
  105    H    LYS  22           HN       LYS  22  11.636  -0.185  -3.706
  106    HA   LYS  22           HA       LYS  22  12.863  -2.167  -2.105
  107   1HB   LYS  22          HB2       LYS  22  14.049  -2.063  -4.542
  108   2HB   LYS  22          HB1       LYS  22  15.004  -0.873  -3.669
  109   1HG   LYS  22          HG2       LYS  22  14.507  -3.559  -2.464
  110   2HG   LYS  22          HG1       LYS  22  15.748  -3.354  -3.702
  111   1HD   LYS  22          HD2       LYS  22  17.127  -2.703  -2.078
  112   2HD   LYS  22          HD1       LYS  22  16.150  -1.240  -1.933
  113   1HE   LYS  22          HE2       LYS  22  14.703  -3.100  -0.514
  114   2HE   LYS  22          HE1       LYS  22  16.372  -3.533  -0.146
  115   1HZ   LYS  22          HZ1       LYS  22  14.861  -1.417   0.890
  116   2HZ   LYS  22          HZ2       LYS  22  16.141  -0.752   0.007
  117   3HZ   LYS  22          HZ3       LYS  22  16.456  -1.844   1.259
  118    H    LEU  23           HN       LEU  23  11.723  -0.293  -0.878
  119    HA   LEU  23           HA       LEU  23  13.375   2.080  -0.627
  120   1HB   LEU  23          HB2       LEU  23  11.670   2.905   0.898
  121   2HB   LEU  23          HB1       LEU  23  10.961   2.354  -0.604
  122    HG   LEU  23           HG       LEU  23  10.968   0.355   1.555
  123   1HD1  LEU  23          HD11      LEU  23   8.815   2.315   1.827
  124   2HD1  LEU  23          HD12      LEU  23  10.392   2.857   2.392
  125   3HD1  LEU  23          HD13      LEU  23   9.673   1.391   3.052
  126   1HD2  LEU  23          HD21      LEU  23   8.859  -0.173   0.626
  127   2HD2  LEU  23          HD22      LEU  23   9.927   0.169  -0.732
  128   3HD2  LEU  23          HD23      LEU  23   8.760   1.379  -0.203
  129    H    ARG  24           HN       ARG  24  15.043   2.181   0.692
  130    HA   ARG  24           HA       ARG  24  16.125   0.334   2.272
  131   1HB   ARG  24          HB2       ARG  24  15.979   3.188   3.226
  132   2HB   ARG  24          HB1       ARG  24  17.277   2.031   3.492
  133   1HG   ARG  24          HG2       ARG  24  17.471   2.046   0.903
  134   2HG   ARG  24          HG1       ARG  24  16.592   3.571   1.030
  135   1HD   ARG  24          HD2       ARG  24  18.297   4.575   2.293
  136   2HD   ARG  24          HD1       ARG  24  19.053   3.025   2.661
  137    HE   ARG  24           HE       ARG  24  19.325   3.097   0.020
  138   1HH1  ARG  24          HH11      ARG  24  19.884   5.565   2.412
  139   2HH1  ARG  24          HH12      ARG  24  21.133   6.347   1.502
  140   1HH2  ARG  24          HH21      ARG  24  20.969   4.118  -1.188
  141   2HH2  ARG  24          HH22      ARG  24  21.750   5.524  -0.545
  142    H    GLN  25           HN       GLN  25  13.379   2.264   3.083
  143    HA   GLN  25           HA       GLN  25  13.201   1.130   5.763
  144   1HB   GLN  25          HB2       GLN  25  11.237   3.012   4.456
  145   2HB   GLN  25          HB1       GLN  25  11.471   2.717   6.173
  146   1HG   GLN  25          HG2       GLN  25  13.800   3.747   4.680
  147   2HG   GLN  25          HG1       GLN  25  12.444   4.852   4.901
  148   1HE2  GLN  25          HE21      GLN  25  12.204   5.843   6.802
  149   2HE2  GLN  25          HE22      GLN  25  13.147   5.525   8.215
  150    H    GLY  26           HN       GLY  26  10.153   1.416   5.479
  151   1HA   GLY  26          HA2       GLY  26   9.642  -0.933   3.795
  152   2HA   GLY  26          HA1       GLY  26   9.173  -0.988   5.486
  153    H    ALA  27           HN       ALA  27   8.283  -0.040   2.348
  154    HA   ALA  27           HA       ALA  27   6.245   1.805   3.182
  155   1HB   ALA  27          HB1       ALA  27   5.639   1.641   0.670
  156   2HB   ALA  27          HB2       ALA  27   7.167   0.782   0.529
  157   3HB   ALA  27          HB3       ALA  27   7.138   2.430   1.140
  158    H    GLN  28           HN       GLN  28   6.072  -0.938   4.210
  159    HA   GLN  28           HA       GLN  28   4.241  -2.540   2.861
  160   1HB   GLN  28          HB2       GLN  28   4.130  -2.315   5.838
  161   2HB   GLN  28          HB1       GLN  28   3.957  -3.739   4.827
  162   1HG   GLN  28          HG2       GLN  28   6.042  -4.221   5.268
  163   2HG   GLN  28          HG1       GLN  28   6.524  -2.804   4.336
  164   1HE2  GLN  28          HE21      GLN  28   5.275  -3.597   7.565
  165   2HE2  GLN  28          HE22      GLN  28   6.325  -2.527   8.423
  166    H    CYS  29           HN       CYS  29   2.388  -1.661   2.046
  167    HA   CYS  29           HA       CYS  29   0.346  -0.611   1.988
  168   1HB   CYS  29          HB2       CYS  29   0.417  -1.688   4.809
  169   2HB   CYS  29          HB1       CYS  29  -0.997  -0.875   4.147
  170    H    ALA  30           HN       ALA  30   2.457   1.041   2.261
  171    HA   ALA  30           HA       ALA  30   2.328   2.833   4.448
  172   1HB   ALA  30          HB1       ALA  30   3.288   3.654   1.729
  173   2HB   ALA  30          HB2       ALA  30   4.206   2.513   2.711
  174   3HB   ALA  30          HB3       ALA  30   3.891   4.140   3.313
  175    H    GLU  31           HN       GLU  31   2.243   5.210   2.354
  176    HA   GLU  31           HA       GLU  31  -0.191   6.290   2.965
  177   1HB   GLU  31          HB2       GLU  31   1.243   7.692   1.737
  178   2HB   GLU  31          HB1       GLU  31   1.493   6.491   0.479
  179   1HG   GLU  31          HG2       GLU  31  -0.222   7.240  -0.715
  180   2HG   GLU  31          HG1       GLU  31  -1.283   7.296   0.691
  181    H    GLY  32           HN       GLY  32   0.630   3.796   0.755
  182   1HA   GLY  32          HA2       GLY  32  -2.159   3.016   0.503
  183   2HA   GLY  32          HA1       GLY  32  -1.255   3.277  -0.991
  184    H    LEU  33           HN       LEU  33  -1.237   1.112  -1.661
  185    HA   LEU  33           HA       LEU  33  -0.477  -0.982   0.115
  186   1HB   LEU  33          HB2       LEU  33  -1.727  -0.957  -2.245
  187   2HB   LEU  33          HB1       LEU  33  -0.118  -1.386  -2.793
  188    HG   LEU  33           HG       LEU  33  -1.149  -3.457  -2.455
  189   1HD1  LEU  33          HD11      LEU  33   0.545  -2.633  -0.145
  190   2HD1  LEU  33          HD12      LEU  33   0.859  -3.804  -1.421
  191   3HD1  LEU  33          HD13      LEU  33  -0.242  -4.210  -0.108
  192   1HD2  LEU  33          HD21      LEU  33  -3.094  -2.374  -1.232
  193   2HD2  LEU  33          HD22      LEU  33  -2.154  -2.616   0.241
  194   3HD2  LEU  33          HD23      LEU  33  -2.643  -4.004  -0.730
  195    H    CYS  34           HN       CYS  34   1.386  -2.153  -2.107
  196    HA   CYS  34           HA       CYS  34   3.800  -0.673  -2.082
  197   1HB   CYS  34          HB2       CYS  34   3.406  -1.738   0.361
  198   2HB   CYS  34          HB1       CYS  34   4.128  -3.115  -0.445
  199    H    CYS  35           HN       CYS  35   5.595  -2.869  -2.116
  200    HA   CYS  35           HA       CYS  35   4.688  -4.981  -3.717
  201   1HB   CYS  35          HB2       CYS  35   4.473  -3.834  -5.665
  202   2HB   CYS  35          HB1       CYS  35   5.505  -2.521  -5.116
  203    H    ASP  36           HN       ASP  36   7.315  -2.992  -2.673
  204    HA   ASP  36           HA       ASP  36   9.366  -4.894  -3.259
  205   1HB   ASP  36          HB2       ASP  36  10.864  -3.323  -2.358
  206   2HB   ASP  36          HB1       ASP  36   9.586  -2.356  -3.087
  207    H    GLN  37           HN       GLN  37  10.976  -5.234  -1.271
  208    HA   GLN  37           HA       GLN  37   9.960  -7.261   0.274
  209   1HB   GLN  37          HB2       GLN  37  12.296  -5.427   0.810
  210   2HB   GLN  37          HB1       GLN  37  11.954  -6.863   1.766
  211   1HG   GLN  37          HG2       GLN  37  12.499  -8.302   0.050
  212   2HG   GLN  37          HG1       GLN  37  12.227  -7.084  -1.196
  213   1HE2  GLN  37          HE21      GLN  37  13.762  -5.246  -1.196
  214   2HE2  GLN  37          HE22      GLN  37  15.418  -5.577  -0.830
  215    H    CYS  38           HN       CYS  38   9.576  -3.891   0.685
  216    HA   CYS  38           HA       CYS  38   9.339  -3.130   3.160
  217   1HB   CYS  38          HB2       CYS  38   7.022  -2.156   2.656
  218   2HB   CYS  38          HB1       CYS  38   8.340  -1.703   1.584
  219    H    ARG  39           HN       ARG  39   6.853  -5.241   1.779
  220    HA   ARG  39           HA       ARG  39   5.966  -7.158   2.814
  221   1HB   ARG  39          HB2       ARG  39   7.671  -6.575   4.788
  222   2HB   ARG  39          HB1       ARG  39   6.190  -6.036   5.566
  223   1HG   ARG  39          HG2       ARG  39   5.298  -8.170   5.622
  224   2HG   ARG  39          HG1       ARG  39   6.342  -8.749   4.323
  225   1HD   ARG  39          HD2       ARG  39   7.969  -7.845   6.482
  226   2HD   ARG  39          HD1       ARG  39   6.737  -8.932   7.121
  227    HE   ARG  39           HE       ARG  39   8.151  -9.877   4.775
  228   1HH1  ARG  39          HH11      ARG  39   7.933  -9.843   8.250
  229   2HH1  ARG  39          HH12      ARG  39   8.856 -11.295   8.453
  230   1HH2  ARG  39          HH21      ARG  39   9.370 -11.790   5.029
  231   2HH2  ARG  39          HH22      ARG  39   9.673 -12.401   6.620
  232    H    PHE  40           HN       PHE  40   4.024  -7.205   4.754
  233    HA   PHE  40           HA       PHE  40   2.429  -4.810   4.616
  234   1HB   PHE  40          HB2       PHE  40   1.267  -7.254   3.312
  235   2HB   PHE  40          HB1       PHE  40   0.658  -5.601   3.295
  236    HD1  PHE  40           HD1      PHE  40   3.443  -7.735   2.089
  237    HD2  PHE  40           HD2      PHE  40   1.223  -4.143   1.605
  238    HE1  PHE  40           HE1      PHE  40   4.622  -7.296  -0.013
  239    HE2  PHE  40           HE2      PHE  40   2.396  -3.698  -0.487
  240    HZ   PHE  40           HZ       PHE  40   4.096  -5.271  -1.316
  241    H    MET  41           HN       MET  41   0.072  -5.410   5.293
  242    HA   MET  41           HA       MET  41   0.281  -6.922   7.759
  243   1HB   MET  41          HB2       MET  41  -1.000  -4.460   6.986
  244   2HB   MET  41          HB1       MET  41  -2.172  -5.567   7.689
  245   1HG   MET  41          HG2       MET  41  -0.837  -5.770   9.692
  246   2HG   MET  41          HG1       MET  41   0.424  -4.762   8.985
  247   1HE   MET  41          HE1       MET  41  -2.643  -5.170  10.845
  248   2HE   MET  41          HE2       MET  41  -3.686  -4.305   9.716
  249   3HE   MET  41          HE3       MET  41  -3.236  -3.559  11.249
  250    H    LYS  42           HN       LYS  42  -2.384  -6.188   5.510
  251    HA   LYS  42           HA       LYS  42  -3.758  -7.616   4.348
  252   1HB   LYS  42          HB2       LYS  42  -3.097  -9.730   3.987
  253   2HB   LYS  42          HB1       LYS  42  -1.695  -9.329   4.963
  254   1HG   LYS  42          HG2       LYS  42  -2.286 -11.143   6.128
  255   2HG   LYS  42          HG1       LYS  42  -3.458 -10.069   6.888
  256   1HD   LYS  42          HD2       LYS  42  -5.224 -10.957   5.727
  257   2HD   LYS  42          HD1       LYS  42  -4.227 -11.395   4.341
  258   1HE   LYS  42          HE2       LYS  42  -3.450 -13.340   5.358
  259   2HE   LYS  42          HE1       LYS  42  -3.881 -12.781   6.974
  260   1HZ   LYS  42          HZ1       LYS  42  -5.345 -14.480   5.462
  261   2HZ   LYS  42          HZ2       LYS  42  -6.133 -13.006   5.201
  262   3HZ   LYS  42          HZ3       LYS  42  -5.935 -13.590   6.776
  263    H    GLU  43           HN       GLU  43  -3.726  -6.670   7.381
  264    HA   GLU  43           HA       GLU  43  -6.199  -8.086   8.100
  265   1HB   GLU  43          HB2       GLU  43  -4.123  -8.288   9.608
  266   2HB   GLU  43          HB1       GLU  43  -4.460  -6.623  10.061
  267   1HG   GLU  43          HG2       GLU  43  -6.353  -7.168  11.213
  268   2HG   GLU  43          HG1       GLU  43  -6.664  -8.605  10.239
  269    H    GLY  44           HN       GLY  44  -6.292  -5.959   6.336
  270   1HA   GLY  44          HA2       GLY  44  -7.657  -4.140   6.014
  271   2HA   GLY  44          HA1       GLY  44  -8.147  -4.265   7.695
  272    H    THR  45           HN       THR  45  -5.106  -3.570   5.974
  273    HA   THR  45           HA       THR  45  -4.630  -1.450   7.923
  274    HB   THR  45           HB       THR  45  -2.800  -2.235   5.694
  275    HG1  THR  45           HG1      THR  45  -3.535  -4.062   7.012
  276   1HG2  THR  45          HG21      THR  45  -2.117  -0.278   6.922
  277   2HG2  THR  45          HG22      THR  45  -1.055  -1.635   7.294
  278   3HG2  THR  45          HG23      THR  45  -2.299  -1.149   8.444
  279    H    ILE  46           HN       ILE  46  -3.933  -1.513   4.490
  280    HA   ILE  46           HA       ILE  46  -5.754   0.402   3.665
  281    HB   ILE  46           HB       ILE  46  -3.520   1.542   5.074
  282   1HG1  ILE  46          HG12      ILE  46  -5.117   3.579   4.022
  283   2HG1  ILE  46          HG11      ILE  46  -6.197   2.199   4.194
  284   1HG2  ILE  46          HG21      ILE  46  -2.242   1.865   3.161
  285   2HG2  ILE  46          HG22      ILE  46  -3.130   3.381   3.309
  286   3HG2  ILE  46          HG23      ILE  46  -3.654   2.163   2.148
  287   1HD1  ILE  46          HD11      ILE  46  -6.396   2.679   6.338
  288   2HD1  ILE  46          HD12      ILE  46  -5.205   3.972   6.191
  289   3HD1  ILE  46          HD13      ILE  46  -4.682   2.328   6.553
  290    H    CYS  47           HN       CYS  47  -5.934  -0.760   1.816
  291    HA   CYS  47           HA       CYS  47  -3.559  -1.416   0.300
  292   1HB   CYS  47          HB2       CYS  47  -4.744  -3.206  -0.288
  293   2HB   CYS  47          HB1       CYS  47  -6.113  -2.585   0.610
  294    H    ARG  48           HN       ARG  48  -5.164   1.286   0.610
  295    HA   ARG  48           HA       ARG  48  -6.201   2.626  -1.211
  296   1HB   ARG  48          HB2       ARG  48  -3.300   3.294  -0.833
  297   2HB   ARG  48          HB1       ARG  48  -4.585   4.404  -1.260
  298   1HG   ARG  48          HG2       ARG  48  -5.111   3.000   1.228
  299   2HG   ARG  48          HG1       ARG  48  -3.621   3.941   1.268
  300   1HD   ARG  48          HD2       ARG  48  -5.761   5.412   0.002
  301   2HD   ARG  48          HD1       ARG  48  -6.222   4.880   1.617
  302    HE   ARG  48           HE       ARG  48  -4.585   6.251   2.524
  303   1HH1  ARG  48          HH11      ARG  48  -4.400   6.244  -0.957
  304   2HH1  ARG  48          HH12      ARG  48  -3.368   7.633  -1.032
  305   1HH2  ARG  48          HH21      ARG  48  -3.228   8.079   2.432
  306   2HH2  ARG  48          HH22      ARG  48  -2.701   8.675   0.894
  307    H    ARG  49           HN       ARG  49  -6.634   1.475  -3.082
  308    HA   ARG  49           HA       ARG  49  -4.721   1.957  -5.220
  309   1HB   ARG  49          HB2       ARG  49  -4.990  -0.608  -4.039
  310   2HB   ARG  49          HB1       ARG  49  -5.750  -0.684  -5.623
  311   1HG   ARG  49          HG2       ARG  49  -3.150   0.661  -5.594
  312   2HG   ARG  49          HG1       ARG  49  -3.103  -1.045  -5.144
  313   1HD   ARG  49          HD2       ARG  49  -2.952  -1.318  -7.383
  314   2HD   ARG  49          HD1       ARG  49  -4.709  -1.205  -7.278
  315    HE   ARG  49           HE       ARG  49  -4.104   1.338  -7.649
  316   1HH1  ARG  49          HH11      ARG  49  -2.814  -1.490  -9.227
  317   2HH1  ARG  49          HH12      ARG  49  -2.479  -0.665 -10.712
  318   1HH2  ARG  49          HH21      ARG  49  -3.668   2.429  -9.602
  319   2HH2  ARG  49          HH22      ARG  49  -2.965   1.561 -10.926
  320    H    ALA  50           HN       ALA  50  -7.546   2.649  -4.230
  321    HA   ALA  50           HA       ALA  50  -9.322   1.663  -6.241
  322   1HB   ALA  50          HB1       ALA  50 -10.867   2.470  -4.865
  323   2HB   ALA  50          HB2       ALA  50 -10.250   4.110  -5.066
  324   3HB   ALA  50          HB3       ALA  50  -9.574   3.061  -3.821
  325    H    ARG  51           HN       ARG  51 -10.710   3.730  -7.231
  326    HA   ARG  51           HA       ARG  51  -8.733   5.349  -8.692
  327   1HB   ARG  51          HB2       ARG  51 -11.024   3.728  -9.738
  328   2HB   ARG  51          HB1       ARG  51 -10.516   5.173 -10.602
  329   1HG   ARG  51          HG2       ARG  51  -8.146   3.851 -10.155
  330   2HG   ARG  51          HG1       ARG  51  -9.288   2.544 -10.475
  331   1HD   ARG  51          HD2       ARG  51  -8.896   2.977 -12.635
  332   2HD   ARG  51          HD1       ARG  51  -9.950   4.370 -12.397
  333    HE   ARG  51           HE       ARG  51  -8.128   5.735 -12.609
  334   1HH1  ARG  51          HH11      ARG  51  -7.044   2.484 -11.991
  335   2HH1  ARG  51          HH12      ARG  51  -5.372   2.853 -12.255
  336   1HH2  ARG  51          HH21      ARG  51  -5.929   6.232 -12.960
  337   2HH2  ARG  51          HH22      ARG  51  -4.738   4.984 -12.805
  338    H    GLY  52           HN       GLY  52 -12.105   5.575  -9.465
  339   1HA   GLY  52          HA2       GLY  52 -13.375   7.528  -9.500
  340   2HA   GLY  52          HA1       GLY  52 -13.318   7.219  -7.771
  341    H    ASP  53           HN       ASP  53 -12.498   8.747  -6.508
  342    HA   ASP  53           HA       ASP  53 -10.573  10.658  -7.607
  343   1HB   ASP  53          HB2       ASP  53 -11.814  12.555  -6.647
  344   2HB   ASP  53          HB1       ASP  53 -12.757  11.723  -7.880
  345    H    ASP  54           HN       ASP  54 -10.960   8.405  -5.485
  346    HA   ASP  54           HA       ASP  54  -9.675   9.865  -3.268
  347   1HB   ASP  54          HB2       ASP  54 -11.633   7.595  -3.267
  348   2HB   ASP  54          HB1       ASP  54 -10.527   7.818  -1.915
  349    H    LEU  55           HN       LEU  55 -10.010   6.524  -4.464
  350    HA   LEU  55           HA       LEU  55  -8.451   4.936  -4.956
  351   1HB   LEU  55          HB2       LEU  55  -6.266   6.933  -4.485
  352   2HB   LEU  55          HB1       LEU  55  -6.279   5.555  -5.571
  353    HG   LEU  55           HG       LEU  55  -8.330   7.096  -6.557
  354   1HD1  LEU  55          HD11      LEU  55  -8.102   9.138  -5.672
  355   2HD1  LEU  55          HD12      LEU  55  -6.736   9.288  -6.776
  356   3HD1  LEU  55          HD13      LEU  55  -6.466   8.817  -5.099
  357   1HD2  LEU  55          HD21      LEU  55  -7.065   6.351  -8.241
  358   2HD2  LEU  55          HD22      LEU  55  -5.584   6.415  -7.286
  359   3HD2  LEU  55          HD23      LEU  55  -6.197   7.875  -8.061
  360    H    ASP  56           HN       ASP  56  -9.396   4.545  -2.639
  361    HA   ASP  56           HA       ASP  56  -7.100   4.176  -0.832
  362   1HB   ASP  56          HB2       ASP  56  -9.941   4.935  -0.142
  363   2HB   ASP  56          HB1       ASP  56  -8.787   4.345   1.050
  364    H    ASP  57           HN       ASP  57  -8.181   2.573   1.052
  365    HA   ASP  57           HA       ASP  57  -9.888   0.584   0.676
  366   1HB   ASP  57          HB2       ASP  57  -7.705   0.270  -1.289
  367   2HB   ASP  57          HB1       ASP  57  -8.149  -1.182  -0.395
  368    H    TYR  58           HN       TYR  58  -9.216  -1.585   1.652
  369    HA   TYR  58           HA       TYR  58  -7.314  -1.067   3.832
  370   1HB   TYR  58          HB2       TYR  58  -9.812  -2.713   3.636
  371   2HB   TYR  58          HB1       TYR  58  -8.607  -3.085   4.861
  372    HD1  TYR  58           HD1      TYR  58  -9.717   0.229   3.579
  373    HD2  TYR  58           HD2      TYR  58  -9.593  -2.455   6.878
  374    HE1  TYR  58           HE1      TYR  58 -10.657   1.978   5.028
  375    HE2  TYR  58           HE2      TYR  58 -10.534  -0.714   8.337
  376    HH   TYR  58           HH       TYR  58 -11.577   2.402   7.045
  377    H    CYS  59           HN       CYS  59  -5.727  -2.539   4.372
  378    HA   CYS  59           HA       CYS  59  -4.867  -4.264   2.236
  379   1HB   CYS  59          HB2       CYS  59  -3.672  -3.319   4.776
  380   2HB   CYS  59          HB1       CYS  59  -2.959  -4.692   3.952
  381    H    ASN  60           HN       ASN  60  -6.261  -5.996   2.191
  382    HA   ASN  60           HA       ASN  60  -6.039  -7.892   4.417
  383   1HB   ASN  60          HB2       ASN  60  -8.327  -7.284   2.560
  384   2HB   ASN  60          HB1       ASN  60  -8.184  -8.875   3.300
  385   1HD2  ASN  60          HD21      ASN  60  -7.386  -5.712   4.667
  386   2HD2  ASN  60          HD22      ASN  60  -8.520  -5.801   5.959
  387    H    GLY  61           HN       GLY  61  -5.016  -9.776   3.903
  388   1HA   GLY  61          HA2       GLY  61  -3.667 -11.148   2.588
  389   2HA   GLY  61          HA1       GLY  61  -5.151 -11.306   1.652
  390    H    ILE  62           HN       ILE  62  -3.348  -8.376   2.129
  391    HA   ILE  62           HA       ILE  62  -3.131  -7.957  -0.727
  392    HB   ILE  62           HB       ILE  62  -2.205  -5.708   0.044
  393   1HG1  ILE  62          HG12      ILE  62  -2.336  -5.079   2.267
  394   2HG1  ILE  62          HG11      ILE  62  -3.486  -6.340   2.671
  395   1HG2  ILE  62          HG21      ILE  62  -4.827  -5.774   1.238
  396   2HG2  ILE  62          HG22      ILE  62  -4.776  -6.673  -0.271
  397   3HG2  ILE  62          HG23      ILE  62  -4.286  -4.980  -0.233
  398   1HD1  ILE  62          HD11      ILE  62  -0.531  -6.555   2.329
  399   2HD1  ILE  62          HD12      ILE  62  -1.575  -7.968   2.352
  400   3HD1  ILE  62          HD13      ILE  62  -1.500  -6.904   3.754
  401    H    SER  63           HN       SER  63  -1.368  -9.820  -0.739
  402    HA   SER  63           HA       SER  63   1.229  -9.095   0.206
  403   1HB   SER  63          HB2       SER  63   1.932 -10.901  -1.526
  404   2HB   SER  63          HB1       SER  63   0.998 -11.399  -0.117
  405    HG   SER  63           HG       SER  63   0.109 -11.027  -2.775
  406    H    ALA  64           HN       ALA  64   0.941  -6.863  -0.665
  407    HA   ALA  64           HA       ALA  64   1.790  -5.244  -2.016
  408   1HB   ALA  64          HB1       ALA  64   3.100  -5.833  -4.031
  409   2HB   ALA  64          HB2       ALA  64   2.772  -7.532  -3.705
  410   3HB   ALA  64          HB3       ALA  64   3.704  -6.579  -2.553
  411    H    GLY  65           HN       GLY  65  -0.816  -6.862  -2.340
  412   1HA   GLY  65          HA2       GLY  65  -1.590  -5.602  -4.895
  413   2HA   GLY  65          HA1       GLY  65  -2.140  -7.214  -4.462
  414    H    CYS  66           HN       CYS  66  -4.229  -7.143  -3.967
  415    HA   CYS  66           HA       CYS  66  -5.171  -5.552  -1.790
  416   1HB   CYS  66          HB2       CYS  66  -5.871  -4.776  -4.599
  417   2HB   CYS  66          HB1       CYS  66  -7.021  -4.508  -3.295
  418    HA   PRO  67           HA       PRO  67  -7.924  -8.972  -1.304
  419   1HB   PRO  67          HB2       PRO  67 -10.166  -7.525  -0.461
  420   2HB   PRO  67          HB1       PRO  67  -8.884  -8.148   0.582
  421   1HG   PRO  67          HG2       PRO  67  -9.233  -5.410  -0.564
  422   2HG   PRO  67          HG1       PRO  67  -8.655  -5.890   1.043
  423   1HD   PRO  67          HD2       PRO  67  -6.931  -5.083  -0.811
  424   2HD   PRO  67          HD1       PRO  67  -6.540  -6.460   0.243
  425    H    ARG  68           HN       ARG  68 -10.685  -8.931  -1.597
  426    HA   ARG  68           HA       ARG  68 -10.933  -8.565  -4.501
  427   1HB   ARG  68          HB2       ARG  68 -12.642 -10.256  -2.669
  428   2HB   ARG  68          HB1       ARG  68 -12.694 -10.232  -4.426
  429   1HG   ARG  68          HG2       ARG  68 -10.033 -10.812  -3.488
  430   2HG   ARG  68          HG1       ARG  68 -11.210 -11.936  -2.805
  431   1HD   ARG  68          HD2       ARG  68 -11.887 -11.614  -5.517
  432   2HD   ARG  68          HD1       ARG  68 -10.137 -11.824  -5.461
  433    HE   ARG  68           HE       ARG  68 -10.530 -14.024  -5.055
  434   1HH1  ARG  68          HH11      ARG  68 -13.227 -12.197  -3.824
  435   2HH1  ARG  68          HH12      ARG  68 -14.096 -13.596  -3.286
  436   1HH2  ARG  68          HH21      ARG  68 -11.666 -15.872  -4.352
  437   2HH2  ARG  68          HH22      ARG  68 -13.208 -15.686  -3.586
  438    H    ASN  69           HN       ASN  69 -12.423  -7.782  -1.423
  439    HA   ASN  69           HA       ASN  69 -14.507  -6.246  -2.804
  440   1HB   ASN  69          HB2       ASN  69 -14.249  -7.305   0.000
  441   2HB   ASN  69          HB1       ASN  69 -15.409  -6.039  -0.390
  442   1HD2  ASN  69          HD21      ASN  69 -16.972  -7.634   0.327
  443   2HD2  ASN  69          HD22      ASN  69 -17.534  -8.823  -0.793
  444    HA   PRO  70           HA       PRO  70 -12.414  -2.403  -2.191
  445   1HB   PRO  70          HB2       PRO  70 -15.170  -1.360  -1.776
  446   2HB   PRO  70          HB1       PRO  70 -13.917  -0.814  -2.896
  447   1HG   PRO  70          HG2       PRO  70 -16.008  -2.213  -3.771
  448   2HG   PRO  70          HG1       PRO  70 -14.387  -2.477  -4.442
  449   1HD   PRO  70          HD2       PRO  70 -15.932  -4.140  -2.500
  450   2HD   PRO  70          HD1       PRO  70 -14.837  -4.648  -3.802
  451    H    PHE  71           HN       PHE  71 -12.951  -0.352  -0.635
  452    HA   PHE  71           HA       PHE  71 -13.910  -1.042   1.968
  453   1HB   PHE  71          HB2       PHE  71 -10.941  -0.903   1.474
  454   2HB   PHE  71          HB1       PHE  71 -11.638  -0.610   3.064
  455    HD1  PHE  71           HD1      PHE  71 -12.830  -2.422   4.242
  456    HD2  PHE  71           HD2      PHE  71 -10.752  -3.096   0.590
  457    HE1  PHE  71           HE1      PHE  71 -12.851  -4.843   4.681
  458    HE2  PHE  71           HE2      PHE  71 -10.770  -5.518   1.022
  459    HZ   PHE  71           HZ       PHE  71 -11.821  -6.395   3.069
  460    H    HIS  72           HN       HIS  72 -11.997   1.145  -0.032
  461    HA   HIS  72           HA       HIS  72 -11.722   3.398   1.377
  462   1HB   HIS  72          HB2       HIS  72 -11.103   3.506  -0.891
  463   2HB   HIS  72          HB1       HIS  72 -12.715   3.059  -1.443
  464    HD1  HIS  72           HD1      HIS  72 -13.602   5.013  -2.669
  465    HD2  HIS  72           HD2      HIS  72 -11.639   6.137   0.816
  466    HE1  HIS  72           HE1      HIS  72 -13.912   7.503  -2.496
  467    HE2  HIS  72           HE2      HIS  72 -12.814   8.141  -0.320
  468    H    ALA  73           HN       ALA  73 -14.550   3.534  -0.709
  469    HA   ALA  73           HA       ALA  73 -16.035   5.360   0.562
  470   1HB   ALA  73          HB1       ALA  73 -17.748   3.127  -0.170
  471   2HB   ALA  73          HB2       ALA  73 -16.544   3.498  -1.404
  472   3HB   ALA  73          HB3       ALA  73 -17.653   4.752  -0.849
  Start of MODEL   10
    1   1H    GLU   1           HT1      GLU   1  -1.305  14.317   3.303
    2   2H    GLU   1           HT2      GLU   1  -2.591  15.063   2.446
    3   3H    GLU   1           HT3      GLU   1  -1.040  14.928   1.724
    4    HA   GLU   1           HA       GLU   1  -2.224  13.282   0.727
    5   1HB   GLU   1          HB2       GLU   1  -0.951  11.983   3.144
    6   2HB   GLU   1          HB1       GLU   1  -1.206  11.247   1.568
    7   1HG   GLU   1          HG2       GLU   1   0.705  13.445   2.292
    8   2HG   GLU   1          HG1       GLU   1   1.079  11.827   1.701
    9    H    ALA   2           HN       ALA   2  -3.010  10.804   1.807
   10    HA   ALA   2           HA       ALA   2  -5.351  11.482   3.450
   11   1HB   ALA   2          HB1       ALA   2  -6.858  10.737   1.960
   12   2HB   ALA   2          HB2       ALA   2  -5.818   9.423   1.409
   13   3HB   ALA   2          HB3       ALA   2  -5.583  11.055   0.784
   14    H    GLY   3           HN       GLY   3  -3.183   8.971   2.229
   15   1HA   GLY   3          HA2       GLY   3  -4.121   7.100   4.265
   16   2HA   GLY   3          HA1       GLY   3  -2.982   6.746   2.977
   17    H    GLU   4           HN       GLU   4  -0.792   7.073   3.302
   18    HA   GLU   4           HA       GLU   4  -0.019   7.982   5.997
   19   1HB   GLU   4          HB2       GLU   4   0.908   5.552   4.484
   20   2HB   GLU   4          HB1       GLU   4   1.873   6.259   5.772
   21   1HG   GLU   4          HG2       GLU   4  -0.746   4.853   5.920
   22   2HG   GLU   4          HG1       GLU   4   0.710   4.626   6.887
   23    H    GLU   5           HN       GLU   5   2.638   7.977   5.881
   24    HA   GLU   5           HA       GLU   5   3.214  10.208   4.180
   25   1HB   GLU   5          HB2       GLU   5   5.282   8.659   5.715
   26   2HB   GLU   5          HB1       GLU   5   5.253  10.375   5.332
   27   1HG   GLU   5          HG2       GLU   5   2.950   9.755   6.881
   28   2HG   GLU   5          HG1       GLU   5   4.370   9.080   7.679
   29    H    CYS   6           HN       CYS   6   6.027   9.465   3.728
   30    HA   CYS   6           HA       CYS   6   7.331   8.567   2.090
   31   1HB   CYS   6          HB2       CYS   6   6.993   6.403   2.912
   32   2HB   CYS   6          HB1       CYS   6   5.287   6.401   2.480
   33    H    ASP   7           HN       ASP   7   7.495   8.443  -0.219
   34    HA   ASP   7           HA       ASP   7   5.020   9.071  -1.673
   35   1HB   ASP   7          HB2       ASP   7   7.614  10.569  -2.070
   36   2HB   ASP   7          HB1       ASP   7   6.076  10.884  -2.870
   37    H    CYS   8           HN       CYS   8   7.454   6.952  -1.437
   38    HA   CYS   8           HA       CYS   8   8.397   6.717  -4.108
   39   1HB   CYS   8          HB2       CYS   8   8.200   4.685  -1.902
   40   2HB   CYS   8          HB1       CYS   8   8.968   4.398  -3.449
   41    H    GLY   9           HN       GLY   9   5.337   6.228  -2.887
   42   1HA   GLY   9          HA2       GLY   9   3.608   5.558  -4.485
   43   2HA   GLY   9          HA1       GLY   9   4.705   4.287  -5.019
   44    H    SER  10           HN       SER  10   2.884   2.803  -4.534
   45    HA   SER  10           HA       SER  10   3.255   1.651  -1.998
   46   1HB   SER  10          HB2       SER  10   0.884   3.402  -2.369
   47   2HB   SER  10          HB1       SER  10   0.763   1.978  -1.339
   48    HG   SER  10           HG       SER  10   2.895   2.964  -0.487
   49    HA   PRO  11           HA       PRO  11  -0.027  -1.088  -3.985
   50   1HB   PRO  11          HB2       PRO  11  -1.737  -0.115  -5.801
   51   2HB   PRO  11          HB1       PRO  11  -1.988   0.127  -4.067
   52   1HG   PRO  11          HG2       PRO  11  -0.781   2.008  -6.075
   53   2HG   PRO  11          HG1       PRO  11  -2.025   2.339  -4.855
   54   1HD   PRO  11          HD2       PRO  11   0.582   2.941  -4.450
   55   2HD   PRO  11          HD1       PRO  11  -0.487   2.426  -3.127
   56    H    GLY  12           HN       GLY  12   1.690  -2.104  -4.989
   57   1HA   GLY  12          HA2       GLY  12   2.411  -3.144  -6.999
   58   2HA   GLY  12          HA1       GLY  12   1.814  -1.754  -7.901
   59    H    ASN  13           HN       ASN  13   3.035   0.044  -5.878
   60    HA   ASN  13           HA       ASN  13   5.844  -0.178  -6.730
   61   1HB   ASN  13          HB2       ASN  13   4.043   2.223  -6.489
   62   2HB   ASN  13          HB1       ASN  13   5.793   2.394  -6.398
   63   1HD2  ASN  13          HD21      ASN  13   3.189   2.435  -8.417
   64   2HD2  ASN  13          HD22      ASN  13   3.994   2.182  -9.924
   65    HA   PRO  14           HA       PRO  14   5.021  -0.977  -2.026
   66   1HB   PRO  14          HB2       PRO  14   7.740  -1.872  -2.935
   67   2HB   PRO  14          HB1       PRO  14   6.681  -2.596  -1.724
   68   1HG   PRO  14          HG2       PRO  14   6.835  -3.424  -4.344
   69   2HG   PRO  14          HG1       PRO  14   5.443  -3.699  -3.289
   70   1HD   PRO  14          HD2       PRO  14   5.542  -2.090  -5.640
   71   2HD   PRO  14          HD1       PRO  14   4.187  -2.265  -4.506
   72    H    CYS  15           HN       CYS  15   5.023   1.319  -1.672
   73    HA   CYS  15           HA       CYS  15   6.300   3.416  -1.735
   74   1HB   CYS  15          HB2       CYS  15   5.467   2.037   0.608
   75   2HB   CYS  15          HB1       CYS  15   6.976   2.864   0.979
   76    H    CYS  16           HN       CYS  16   8.067   2.711  -3.136
   77    HA   CYS  16           HA       CYS  16  10.340   3.360  -3.302
   78   1HB   CYS  16          HB2       CYS  16  10.688   2.001  -0.629
   79   2HB   CYS  16          HB1       CYS  16  11.985   2.686  -1.589
   80    H    ASP  17           HN       ASP  17  11.044   2.269  -4.934
   81    HA   ASP  17           HA       ASP  17  11.930  -0.440  -4.718
   82   1HB   ASP  17          HB2       ASP  17  10.357  -1.162  -6.659
   83   2HB   ASP  17          HB1       ASP  17   9.738  -1.164  -5.010
   84    H    ALA  18           HN       ALA  18  11.249   2.376  -6.702
   85    HA   ALA  18           HA       ALA  18  12.615   3.386  -8.249
   86   1HB   ALA  18          HB1       ALA  18  14.481   2.060  -7.110
   87   2HB   ALA  18          HB2       ALA  18  14.739   2.563  -8.780
   88   3HB   ALA  18          HB3       ALA  18  14.283   0.898  -8.422
   89    H    ALA  19           HN       ALA  19  11.833  -0.016  -8.708
   90    HA   ALA  19           HA       ALA  19  10.347   0.480 -11.059
   91   1HB   ALA  19          HB1       ALA  19  12.371  -1.279 -12.031
   92   2HB   ALA  19          HB2       ALA  19  13.120   0.207 -11.446
   93   3HB   ALA  19          HB3       ALA  19  11.851   0.280 -12.669
   94    H    THR  20           HN       THR  20  11.941  -1.775  -8.889
   95    HA   THR  20           HA       THR  20   9.796  -3.705  -9.458
   96    HB   THR  20           HB       THR  20  11.889  -4.505 -10.470
   97    HG1  THR  20           HG1      THR  20  11.609  -6.128  -8.223
   98   1HG2  THR  20          HG21      THR  20  13.403  -3.362  -8.796
   99   2HG2  THR  20          HG22      THR  20  13.836  -5.005  -9.271
  100   3HG2  THR  20          HG23      THR  20  13.054  -4.713  -7.718
  101    H    CYS  21           HN       CYS  21   8.695  -4.341  -7.716
  102    HA   CYS  21           HA       CYS  21   8.710  -3.207  -5.290
  103   1HB   CYS  21          HB2       CYS  21   8.257  -6.171  -5.732
  104   2HB   CYS  21          HB1       CYS  21   7.663  -5.229  -4.371
  105    H    LYS  22           HN       LYS  22  10.672  -2.683  -4.370
  106    HA   LYS  22           HA       LYS  22  11.923  -4.647  -2.752
  107   1HB   LYS  22          HB2       LYS  22  13.037  -5.427  -4.686
  108   2HB   LYS  22          HB1       LYS  22  13.343  -3.796  -5.266
  109   1HG   LYS  22          HG2       LYS  22  14.818  -3.493  -3.234
  110   2HG   LYS  22          HG1       LYS  22  14.675  -5.235  -2.994
  111   1HD   LYS  22          HD2       LYS  22  16.668  -4.923  -4.217
  112   2HD   LYS  22          HD1       LYS  22  15.475  -5.486  -5.389
  113   1HE   LYS  22          HE2       LYS  22  16.838  -3.619  -6.245
  114   2HE   LYS  22          HE1       LYS  22  15.121  -3.228  -6.172
  115   1HZ   LYS  22          HZ1       LYS  22  17.103  -1.704  -5.161
  116   2HZ   LYS  22          HZ2       LYS  22  16.578  -2.536  -3.786
  117   3HZ   LYS  22          HZ3       LYS  22  15.481  -1.618  -4.688
  118    H    LEU  23           HN       LEU  23  12.463  -3.565  -0.975
  119    HA   LEU  23           HA       LEU  23  13.932  -1.080  -1.162
  120   1HB   LEU  23          HB2       LEU  23  12.423   0.181   0.287
  121   2HB   LEU  23          HB1       LEU  23  11.671  -0.242  -1.232
  122    HG   LEU  23           HG       LEU  23  11.006  -1.142   1.528
  123   1HD1  LEU  23          HD11      LEU  23   9.197   0.041   1.066
  124   2HD1  LEU  23          HD12      LEU  23   8.822  -1.054  -0.264
  125   3HD1  LEU  23          HD13      LEU  23   9.814   0.373  -0.552
  126   1HD2  LEU  23          HD21      LEU  23  10.572  -2.791  -0.954
  127   2HD2  LEU  23          HD22      LEU  23   9.650  -2.996   0.534
  128   3HD2  LEU  23          HD23      LEU  23  11.390  -3.274   0.531
  129    H    ARG  24           HN       ARG  24  15.452  -1.004   0.346
  130    HA   ARG  24           HA       ARG  24  15.960  -3.050   2.129
  131   1HB   ARG  24          HB2       ARG  24  16.814  -0.159   2.335
  132   2HB   ARG  24          HB1       ARG  24  17.525  -1.485   3.245
  133   1HG   ARG  24          HG2       ARG  24  17.648  -2.287   0.578
  134   2HG   ARG  24          HG1       ARG  24  18.093  -0.580   0.575
  135   1HD   ARG  24          HD2       ARG  24  19.984  -0.928   1.791
  136   2HD   ARG  24          HD1       ARG  24  19.295  -2.289   2.675
  137    HE   ARG  24           HE       ARG  24  20.026  -3.716   1.013
  138   1HH1  ARG  24          HH11      ARG  24  20.464  -0.403   0.038
  139   2HH1  ARG  24          HH12      ARG  24  21.455  -0.799  -1.326
  140   1HH2  ARG  24          HH21      ARG  24  21.331  -4.250  -0.781
  141   2HH2  ARG  24          HH22      ARG  24  21.948  -2.987  -1.792
  142    H    GLN  25           HN       GLN  25  13.772  -0.461   2.377
  143    HA   GLN  25           HA       GLN  25  13.437  -0.790   5.261
  144   1HB   GLN  25          HB2       GLN  25  13.461   1.473   3.901
  145   2HB   GLN  25          HB1       GLN  25  11.771   1.078   3.621
  146   1HG   GLN  25          HG2       GLN  25  12.178   0.697   6.356
  147   2HG   GLN  25          HG1       GLN  25  13.032   2.185   5.951
  148   1HE2  GLN  25          HE21      GLN  25  11.723   3.668   4.473
  149   2HE2  GLN  25          HE22      GLN  25  10.066   3.893   4.905
  150    H    GLY  26           HN       GLY  26  10.503   0.147   4.646
  151   1HA   GLY  26          HA2       GLY  26   9.411  -2.336   3.588
  152   2HA   GLY  26          HA1       GLY  26   9.062  -1.990   5.274
  153    H    ALA  27           HN       ALA  27   8.017  -1.609   2.127
  154    HA   ALA  27           HA       ALA  27   6.491   0.815   2.633
  155   1HB   ALA  27          HB1       ALA  27   5.699   0.263   0.217
  156   2HB   ALA  27          HB2       ALA  27   7.052  -0.864   0.220
  157   3HB   ALA  27          HB3       ALA  27   7.341   0.856   0.471
  158    H    GLN  28           HN       GLN  28   6.025  -1.766   4.054
  159    HA   GLN  28           HA       GLN  28   3.825  -3.150   3.128
  160   1HB   GLN  28          HB2       GLN  28   4.136  -2.545   6.042
  161   2HB   GLN  28          HB1       GLN  28   3.534  -4.003   5.277
  162   1HG   GLN  28          HG2       GLN  28   5.513  -4.903   5.333
  163   2HG   GLN  28          HG1       GLN  28   6.199  -3.565   4.428
  164   1HE2  GLN  28          HE21      GLN  28   6.108  -1.484   6.061
  165   2HE2  GLN  28          HE22      GLN  28   7.003  -1.770   7.511
  166    H    CYS  29           HN       CYS  29   1.912  -2.306   2.521
  167    HA   CYS  29           HA       CYS  29   0.121  -0.856   2.395
  168   1HB   CYS  29          HB2       CYS  29   0.112  -1.216   5.407
  169   2HB   CYS  29          HB1       CYS  29  -1.267  -0.841   4.381
  170    H    ALA  30           HN       ALA  30   2.540   0.406   2.378
  171    HA   ALA  30           HA       ALA  30   2.874   2.442   4.280
  172   1HB   ALA  30          HB1       ALA  30   3.723   2.533   1.390
  173   2HB   ALA  30          HB2       ALA  30   4.605   1.694   2.666
  174   3HB   ALA  30          HB3       ALA  30   4.416   3.446   2.730
  175    H    GLU  31           HN       GLU  31   3.056   4.614   2.062
  176    HA   GLU  31           HA       GLU  31   0.914   6.185   2.638
  177   1HB   GLU  31          HB2       GLU  31   2.844   6.698   1.036
  178   2HB   GLU  31          HB1       GLU  31   1.897   5.888  -0.203
  179   1HG   GLU  31          HG2       GLU  31   0.097   7.505   0.110
  180   2HG   GLU  31          HG1       GLU  31   1.045   8.319   1.352
  181    H    GLY  32           HN       GLY  32   1.081   3.432   0.613
  182   1HA   GLY  32          HA2       GLY  32  -1.833   3.263   0.520
  183   2HA   GLY  32          HA1       GLY  32  -0.911   3.081  -0.974
  184    H    LEU  33           HN       LEU  33  -1.023   0.947  -1.453
  185    HA   LEU  33           HA       LEU  33  -0.696  -0.940   0.728
  186   1HB   LEU  33          HB2       LEU  33  -2.310  -1.109  -1.358
  187   2HB   LEU  33          HB1       LEU  33  -0.905  -1.858  -2.090
  188    HG   LEU  33           HG       LEU  33  -2.835  -3.003  -0.312
  189   1HD1  LEU  33          HD11      LEU  33  -1.225  -5.013  -0.900
  190   2HD1  LEU  33          HD12      LEU  33  -0.642  -3.856  -2.097
  191   3HD1  LEU  33          HD13      LEU  33  -2.341  -4.324  -2.076
  192   1HD2  LEU  33          HD21      LEU  33  -0.055  -2.793   0.757
  193   2HD2  LEU  33          HD22      LEU  33  -0.991  -4.262   1.025
  194   3HD2  LEU  33          HD23      LEU  33  -1.597  -2.712   1.607
  195    H    CYS  34           HN       CYS  34   0.549  -3.014  -0.978
  196    HA   CYS  34           HA       CYS  34   3.176  -1.971  -1.639
  197   1HB   CYS  34          HB2       CYS  34   2.866  -2.696   0.934
  198   2HB   CYS  34          HB1       CYS  34   3.270  -4.254   0.235
  199    H    CYS  35           HN       CYS  35   4.551  -4.434  -1.614
  200    HA   CYS  35           HA       CYS  35   3.106  -6.466  -2.937
  201   1HB   CYS  35          HB2       CYS  35   2.946  -5.445  -4.954
  202   2HB   CYS  35          HB1       CYS  35   4.230  -4.305  -4.583
  203    H    ASP  36           HN       ASP  36   6.169  -4.991  -2.239
  204    HA   ASP  36           HA       ASP  36   7.664  -7.397  -2.785
  205   1HB   ASP  36          HB2       ASP  36   9.167  -5.804  -3.222
  206   2HB   ASP  36          HB1       ASP  36   8.236  -4.583  -2.374
  207    H    GLN  37           HN       GLN  37   9.438  -7.849  -0.986
  208    HA   GLN  37           HA       GLN  37   8.302  -9.292   1.022
  209   1HB   GLN  37          HB2       GLN  37  10.969  -7.872   1.093
  210   2HB   GLN  37          HB1       GLN  37  10.488  -9.162   2.187
  211   1HG   GLN  37          HG2       GLN  37  10.402  -9.633  -0.753
  212   2HG   GLN  37          HG1       GLN  37  11.950  -9.668   0.089
  213   1HE2  GLN  37          HE21      GLN  37  12.098 -11.123   1.957
  214   2HE2  GLN  37          HE22      GLN  37  11.239 -12.621   1.905
  215    H    CYS  38           HN       CYS  38   8.668  -5.861   0.868
  216    HA   CYS  38           HA       CYS  38   8.849  -4.710   3.192
  217   1HB   CYS  38          HB2       CYS  38   6.753  -3.343   2.721
  218   2HB   CYS  38          HB1       CYS  38   7.973  -3.376   1.459
  219    H    ARG  39           HN       ARG  39   5.875  -6.434   2.398
  220    HA   ARG  39           HA       ARG  39   4.791  -7.972   3.802
  221   1HB   ARG  39          HB2       ARG  39   6.709  -7.471   5.551
  222   2HB   ARG  39          HB1       ARG  39   5.487  -6.436   6.275
  223   1HG   ARG  39          HG2       ARG  39   4.764  -8.234   7.346
  224   2HG   ARG  39          HG1       ARG  39   4.152  -8.810   5.794
  225   1HD   ARG  39          HD2       ARG  39   6.022 -10.157   5.423
  226   2HD   ARG  39          HD1       ARG  39   6.996  -9.292   6.610
  227    HE   ARG  39           HE       ARG  39   5.064 -10.350   8.138
  228   1HH1  ARG  39          HH11      ARG  39   7.104 -11.735   5.678
  229   2HH1  ARG  39          HH12      ARG  39   7.115 -13.312   6.392
  230   1HH2  ARG  39          HH21      ARG  39   5.072 -12.425   9.088
  231   2HH2  ARG  39          HH22      ARG  39   5.959 -13.705   8.330
  232    H    PHE  40           HN       PHE  40   3.062  -7.284   5.848
  233    HA   PHE  40           HA       PHE  40   1.897  -4.721   5.157
  234   1HB   PHE  40          HB2       PHE  40   0.351  -7.258   4.647
  235   2HB   PHE  40          HB1       PHE  40  -0.212  -5.607   4.418
  236    HD1  PHE  40           HD1      PHE  40   2.276  -8.072   3.238
  237    HD2  PHE  40           HD2      PHE  40   0.180  -4.471   2.417
  238    HE1  PHE  40           HE1      PHE  40   3.165  -8.080   0.955
  239    HE2  PHE  40           HE2      PHE  40   1.053  -4.467   0.136
  240    HZ   PHE  40           HZ       PHE  40   2.547  -6.283  -0.614
  241    H    MET  41           HN       MET  41   0.179  -4.051   6.466
  242    HA   MET  41           HA       MET  41   0.476  -4.604   9.169
  243   1HB   MET  41          HB2       MET  41  -1.088  -2.853   7.529
  244   2HB   MET  41          HB1       MET  41  -2.118  -3.557   8.769
  245   1HG   MET  41          HG2       MET  41   0.490  -2.151   9.301
  246   2HG   MET  41          HG1       MET  41  -1.105  -1.416   9.445
  247   1HE   MET  41          HE1       MET  41   1.609  -3.416  10.755
  248   2HE   MET  41          HE2       MET  41   0.679  -4.892  11.016
  249   3HE   MET  41          HE3       MET  41   1.160  -3.898  12.391
  250    H    LYS  42           HN       LYS  42  -2.455  -5.254   7.220
  251    HA   LYS  42           HA       LYS  42  -3.766  -7.131   7.191
  252   1HB   LYS  42          HB2       LYS  42  -1.511  -8.153   8.428
  253   2HB   LYS  42          HB1       LYS  42  -2.792  -8.462   9.593
  254   1HG   LYS  42          HG2       LYS  42  -2.695 -10.380   8.262
  255   2HG   LYS  42          HG1       LYS  42  -4.087  -9.480   7.656
  256   1HD   LYS  42          HD2       LYS  42  -3.026 -10.049   5.692
  257   2HD   LYS  42          HD1       LYS  42  -2.338  -8.455   6.006
  258   1HE   LYS  42          HE2       LYS  42  -1.092 -11.158   6.303
  259   2HE   LYS  42          HE1       LYS  42  -0.472  -9.727   5.481
  260   1HZ   LYS  42          HZ1       LYS  42   0.633 -10.295   7.633
  261   2HZ   LYS  42          HZ2       LYS  42  -0.805  -9.886   8.423
  262   3HZ   LYS  42          HZ3       LYS  42   0.036  -8.714   7.540
  263    H    GLU  43           HN       GLU  43  -4.350  -4.723   8.409
  264    HA   GLU  43           HA       GLU  43  -6.593  -5.402   9.965
  265   1HB   GLU  43          HB2       GLU  43  -4.618  -5.701  11.594
  266   2HB   GLU  43          HB1       GLU  43  -4.520  -3.945  11.576
  267   1HG   GLU  43          HG2       GLU  43  -6.982  -3.967  12.220
  268   2HG   GLU  43          HG1       GLU  43  -6.754  -5.680  12.568
  269    H    GLY  44           HN       GLY  44  -7.658  -4.049   8.600
  270   1HA   GLY  44          HA2       GLY  44  -8.161  -2.068   7.481
  271   2HA   GLY  44          HA1       GLY  44  -8.343  -1.567   9.148
  272    H    THR  45           HN       THR  45  -5.585  -2.091   6.862
  273    HA   THR  45           HA       THR  45  -4.494   0.404   7.966
  274    HB   THR  45           HB       THR  45  -2.903  -1.120   6.000
  275    HG1  THR  45           HG1      THR  45  -3.912  -2.775   7.213
  276   1HG2  THR  45          HG21      THR  45  -2.259  -0.106   8.743
  277   2HG2  THR  45          HG22      THR  45  -1.972   0.775   7.242
  278   3HG2  THR  45          HG23      THR  45  -1.117  -0.736   7.556
  279    H    ILE  46           HN       ILE  46  -3.071   0.246   4.988
  280    HA   ILE  46           HA       ILE  46  -5.320   1.536   3.668
  281    HB   ILE  46           HB       ILE  46  -3.091   2.932   4.762
  282   1HG1  ILE  46          HG12      ILE  46  -4.717   4.635   3.177
  283   2HG1  ILE  46          HG11      ILE  46  -5.756   3.382   3.849
  284   1HG2  ILE  46          HG21      ILE  46  -2.631   4.339   2.662
  285   2HG2  ILE  46          HG22      ILE  46  -3.168   2.916   1.771
  286   3HG2  ILE  46          HG23      ILE  46  -1.779   2.806   2.850
  287   1HD1  ILE  46          HD11      ILE  46  -4.141   5.454   5.257
  288   2HD1  ILE  46          HD12      ILE  46  -4.583   3.958   6.080
  289   3HD1  ILE  46          HD13      ILE  46  -5.840   5.026   5.455
  290    H    CYS  47           HN       CYS  47  -5.631   0.179   1.985
  291    HA   CYS  47           HA       CYS  47  -3.348  -0.858   0.498
  292   1HB   CYS  47          HB2       CYS  47  -5.172  -2.404   0.936
  293   2HB   CYS  47          HB1       CYS  47  -6.310  -1.322   0.137
  294    H    ARG  48           HN       ARG  48  -4.585   2.020   0.553
  295    HA   ARG  48           HA       ARG  48  -5.657   3.249  -1.340
  296   1HB   ARG  48          HB2       ARG  48  -2.688   3.606  -1.068
  297   2HB   ARG  48          HB1       ARG  48  -3.783   4.777  -1.762
  298   1HG   ARG  48          HG2       ARG  48  -4.584   3.914   0.893
  299   2HG   ARG  48          HG1       ARG  48  -2.995   4.669   0.853
  300   1HD   ARG  48          HD2       ARG  48  -5.653   5.819   0.125
  301   2HD   ARG  48          HD1       ARG  48  -4.407   6.479   1.181
  302    HE   ARG  48           HE       ARG  48  -4.533   6.672  -1.716
  303   1HH1  ARG  48          HH11      ARG  48  -2.666   7.144   1.188
  304   2HH1  ARG  48          HH12      ARG  48  -1.574   8.271   0.456
  305   1HH2  ARG  48          HH21      ARG  48  -3.096   8.150  -2.688
  306   2HH2  ARG  48          HH22      ARG  48  -1.817   8.841  -1.746
  307    H    ARG  49           HN       ARG  49  -6.363   2.467  -3.215
  308    HA   ARG  49           HA       ARG  49  -4.362   1.918  -5.290
  309   1HB   ARG  49          HB2       ARG  49  -6.417   0.057  -4.241
  310   2HB   ARG  49          HB1       ARG  49  -6.226   0.106  -5.988
  311   1HG   ARG  49          HG2       ARG  49  -3.634  -0.034  -5.027
  312   2HG   ARG  49          HG1       ARG  49  -4.550  -1.115  -3.977
  313   1HD   ARG  49          HD2       ARG  49  -4.959  -1.247  -6.929
  314   2HD   ARG  49          HD1       ARG  49  -3.521  -1.985  -6.226
  315    HE   ARG  49           HE       ARG  49  -6.012  -2.736  -4.970
  316   1HH1  ARG  49          HH11      ARG  49  -3.666  -3.473  -7.436
  317   2HH1  ARG  49          HH12      ARG  49  -4.112  -5.143  -7.544
  318   1HH2  ARG  49          HH21      ARG  49  -6.608  -4.934  -5.105
  319   2HH2  ARG  49          HH22      ARG  49  -5.786  -5.974  -6.219
  320    H    ALA  50           HN       ALA  50  -6.394   4.078  -4.563
  321    HA   ALA  50           HA       ALA  50  -7.954   4.033  -7.060
  322   1HB   ALA  50          HB1       ALA  50  -9.541   5.457  -6.042
  323   2HB   ALA  50          HB2       ALA  50  -8.460   5.826  -4.699
  324   3HB   ALA  50          HB3       ALA  50  -9.165   4.216  -4.847
  325    H    ARG  51           HN       ARG  51  -8.076   5.930  -8.343
  326    HA   ARG  51           HA       ARG  51  -5.920   7.873  -7.854
  327   1HB   ARG  51          HB2       ARG  51  -6.592   6.344 -10.331
  328   2HB   ARG  51          HB1       ARG  51  -5.948   7.972 -10.492
  329   1HG   ARG  51          HG2       ARG  51  -3.886   7.383  -9.753
  330   2HG   ARG  51          HG1       ARG  51  -4.506   6.118  -8.690
  331   1HD   ARG  51          HD2       ARG  51  -4.759   5.778 -11.639
  332   2HD   ARG  51          HD1       ARG  51  -3.186   5.523 -10.886
  333    HE   ARG  51           HE       ARG  51  -5.285   4.109  -9.554
  334   1HH1  ARG  51          HH11      ARG  51  -3.095   4.026 -12.260
  335   2HH1  ARG  51          HH12      ARG  51  -3.104   2.298 -12.381
  336   1HH2  ARG  51          HH21      ARG  51  -5.304   1.833  -9.703
  337   2HH2  ARG  51          HH22      ARG  51  -4.361   1.051 -10.927
  338    H    GLY  52           HN       GLY  52  -7.792   8.202 -10.732
  339   1HA   GLY  52          HA2       GLY  52  -8.977  10.111 -11.366
  340   2HA   GLY  52          HA1       GLY  52 -10.106   9.382 -10.236
  341    H    ASP  53           HN       ASP  53 -10.295  10.219  -8.147
  342    HA   ASP  53           HA       ASP  53  -8.722  12.517  -7.367
  343   1HB   ASP  53          HB2       ASP  53 -10.449  13.522  -8.813
  344   2HB   ASP  53          HB1       ASP  53 -11.702  12.786  -7.819
  345    H    ASP  54           HN       ASP  54  -9.057   9.921  -6.293
  346    HA   ASP  54           HA       ASP  54 -10.285  10.596  -3.707
  347   1HB   ASP  54          HB2       ASP  54 -10.460   7.916  -5.101
  348   2HB   ASP  54          HB1       ASP  54 -11.086   8.283  -3.497
  349    H    LEU  55           HN       LEU  55  -8.615   7.696  -4.883
  350    HA   LEU  55           HA       LEU  55  -6.669   6.689  -4.273
  351   1HB   LEU  55          HB2       LEU  55  -6.040   9.415  -3.144
  352   2HB   LEU  55          HB1       LEU  55  -4.907   8.079  -3.156
  353    HG   LEU  55           HG       LEU  55  -4.900   8.057  -5.587
  354   1HD1  LEU  55          HD11      LEU  55  -6.900  10.294  -5.334
  355   2HD1  LEU  55          HD12      LEU  55  -7.158   8.706  -6.057
  356   3HD1  LEU  55          HD13      LEU  55  -6.068   9.859  -6.827
  357   1HD2  LEU  55          HD21      LEU  55  -3.209   9.465  -5.221
  358   2HD2  LEU  55          HD22      LEU  55  -4.101  10.343  -3.978
  359   3HD2  LEU  55          HD23      LEU  55  -4.328  10.749  -5.679
  360    H    ASP  56           HN       ASP  56  -8.520   5.733  -2.825
  361    HA   ASP  56           HA       ASP  56  -7.505   5.813  -0.074
  362   1HB   ASP  56          HB2       ASP  56 -10.343   6.117  -0.996
  363   2HB   ASP  56          HB1       ASP  56  -9.997   5.397   0.573
  364    H    ASP  57           HN       ASP  57  -8.209   3.897   1.197
  365    HA   ASP  57           HA       ASP  57  -9.343   1.605   0.509
  366   1HB   ASP  57          HB2       ASP  57  -7.017   2.000  -1.225
  367   2HB   ASP  57          HB1       ASP  57  -7.021   0.445  -0.401
  368    H    TYR  58           HN       TYR  58  -8.966  -0.018   1.979
  369    HA   TYR  58           HA       TYR  58  -7.011   0.626   4.058
  370   1HB   TYR  58          HB2       TYR  58  -9.570  -0.928   4.022
  371   2HB   TYR  58          HB1       TYR  58  -8.387  -1.222   5.293
  372    HD1  TYR  58           HD1      TYR  58  -8.361   2.134   4.077
  373    HD2  TYR  58           HD2      TYR  58 -10.324  -0.486   6.793
  374    HE1  TYR  58           HE1      TYR  58  -9.219   4.076   5.318
  375    HE2  TYR  58           HE2      TYR  58 -11.189   1.448   8.041
  376    HH   TYR  58           HH       TYR  58 -10.800   3.744   8.385
  377    H    CYS  59           HN       CYS  59  -6.065  -1.328   5.226
  378    HA   CYS  59           HA       CYS  59  -5.375  -3.411   3.291
  379   1HB   CYS  59          HB2       CYS  59  -3.324  -2.591   3.173
  380   2HB   CYS  59          HB1       CYS  59  -3.633  -1.460   4.469
  381    H    ASN  60           HN       ASN  60  -6.538  -4.994   4.035
  382    HA   ASN  60           HA       ASN  60  -6.308  -5.851   6.814
  383   1HB   ASN  60          HB2       ASN  60  -8.241  -6.817   4.699
  384   2HB   ASN  60          HB1       ASN  60  -8.279  -7.225   6.410
  385   1HD2  ASN  60          HD21      ASN  60  -7.443  -4.261   6.804
  386   2HD2  ASN  60          HD22      ASN  60  -8.963  -3.447   6.742
  387    H    GLY  61           HN       GLY  61  -7.304  -8.411   4.878
  388   1HA   GLY  61          HA2       GLY  61  -4.713  -9.693   5.066
  389   2HA   GLY  61          HA1       GLY  61  -6.177 -10.392   4.369
  390    H    ILE  62           HN       ILE  62  -4.263  -7.504   3.749
  391    HA   ILE  62           HA       ILE  62  -4.549  -7.827   0.911
  392    HB   ILE  62           HB       ILE  62  -3.596  -5.509   0.859
  393   1HG1  ILE  62          HG12      ILE  62  -2.980  -4.349   2.716
  394   2HG1  ILE  62          HG11      ILE  62  -4.176  -5.133   3.728
  395   1HG2  ILE  62          HG21      ILE  62  -5.999  -5.890   0.840
  396   2HG2  ILE  62          HG22      ILE  62  -5.610  -4.465   1.796
  397   3HG2  ILE  62          HG23      ILE  62  -6.009  -5.982   2.597
  398   1HD1  ILE  62          HD11      ILE  62  -2.541  -7.157   3.576
  399   2HD1  ILE  62          HD12      ILE  62  -2.233  -5.826   4.679
  400   3HD1  ILE  62          HD13      ILE  62  -1.386  -5.910   3.138
  401    H    SER  63           HN       SER  63  -2.946  -9.735   1.056
  402    HA   SER  63           HA       SER  63  -0.192  -9.136   1.458
  403   1HB   SER  63          HB2       SER  63   0.177 -11.301   0.221
  404   2HB   SER  63          HB1       SER  63  -0.871 -11.423   1.634
  405    HG   SER  63           HG       SER  63  -2.451 -10.881  -0.373
  406    H    ALA  64           HN       ALA  64  -0.624  -7.070   0.150
  407    HA   ALA  64           HA       ALA  64   0.279  -5.855  -1.549
  408   1HB   ALA  64          HB1       ALA  64   1.841  -7.728  -1.999
  409   2HB   ALA  64          HB2       ALA  64   1.357  -6.842  -3.445
  410   3HB   ALA  64          HB3       ALA  64   0.640  -8.413  -3.094
  411    H    GLY  65           HN       GLY  65  -2.471  -6.707  -1.107
  412   1HA   GLY  65          HA2       GLY  65  -3.668  -5.584  -3.468
  413   2HA   GLY  65          HA1       GLY  65  -4.052  -7.292  -3.256
  414    H    CYS  66           HN       CYS  66  -5.827  -4.863  -3.027
  415    HA   CYS  66           HA       CYS  66  -6.356  -4.409  -0.284
  416   1HB   CYS  66          HB2       CYS  66  -8.306  -4.056  -2.558
  417   2HB   CYS  66          HB1       CYS  66  -8.327  -3.243  -0.995
  418    HA   PRO  67           HA       PRO  67  -8.809  -7.681   1.264
  419   1HB   PRO  67          HB2       PRO  67 -10.924  -5.688   1.918
  420   2HB   PRO  67          HB1       PRO  67 -10.100  -6.842   2.972
  421   1HG   PRO  67          HG2       PRO  67  -9.493  -4.253   3.070
  422   2HG   PRO  67          HG1       PRO  67  -8.223  -5.485   3.205
  423   1HD   PRO  67          HD2       PRO  67  -8.970  -3.777   0.881
  424   2HD   PRO  67          HD1       PRO  67  -7.372  -4.271   1.445
  425    H    ARG  68           HN       ARG  68 -11.839  -7.199   1.386
  426    HA   ARG  68           HA       ARG  68 -12.480  -8.619  -0.981
  427   1HB   ARG  68          HB2       ARG  68 -14.088  -7.413   1.246
  428   2HB   ARG  68          HB1       ARG  68 -14.890  -8.068  -0.175
  429   1HG   ARG  68          HG2       ARG  68 -12.921  -9.902   0.895
  430   2HG   ARG  68          HG1       ARG  68 -14.143  -9.461   2.090
  431   1HD   ARG  68          HD2       ARG  68 -15.909 -10.174   0.649
  432   2HD   ARG  68          HD1       ARG  68 -14.795 -10.390  -0.700
  433    HE   ARG  68           HE       ARG  68 -14.229 -12.442   0.142
  434   1HH1  ARG  68          HH11      ARG  68 -15.885 -10.616   2.601
  435   2HH1  ARG  68          HH12      ARG  68 -16.002 -11.951   3.698
  436   1HH2  ARG  68          HH21      ARG  68 -14.377 -14.208   1.578
  437   2HH2  ARG  68          HH22      ARG  68 -15.144 -13.994   3.116
  438    H    ASN  69           HN       ASN  69 -13.777  -5.464   0.102
  439    HA   ASN  69           HA       ASN  69 -13.256  -4.198  -2.380
  440   1HB   ASN  69          HB2       ASN  69 -15.980  -5.353  -1.931
  441   2HB   ASN  69          HB1       ASN  69 -15.800  -3.867  -2.858
  442   1HD2  ASN  69          HD21      ASN  69 -16.491  -6.803  -3.431
  443   2HD2  ASN  69          HD22      ASN  69 -15.537  -7.169  -4.825
  444    HA   PRO  70           HA       PRO  70 -16.393  -1.437   0.406
  445   1HB   PRO  70          HB2       PRO  70 -15.462  -2.994   2.795
  446   2HB   PRO  70          HB1       PRO  70 -16.955  -2.073   2.574
  447   1HG   PRO  70          HG2       PRO  70 -16.912  -4.738   2.312
  448   2HG   PRO  70          HG1       PRO  70 -17.941  -3.720   1.290
  449   1HD   PRO  70          HD2       PRO  70 -15.527  -5.241   0.581
  450   2HD   PRO  70          HD1       PRO  70 -16.808  -4.607  -0.467
  451    H    PHE  71           HN       PHE  71 -14.656  -0.084  -0.367
  452    HA   PHE  71           HA       PHE  71 -12.686   0.506   1.731
  453   1HB   PHE  71          HB2       PHE  71 -12.030   0.633  -1.213
  454   2HB   PHE  71          HB1       PHE  71 -10.928   0.816   0.144
  455    HD1  PHE  71           HD1      PHE  71 -11.159  -1.181  -2.367
  456    HD2  PHE  71           HD2      PHE  71 -11.773  -1.461   1.833
  457    HE1  PHE  71           HE1      PHE  71 -10.662  -3.588  -2.459
  458    HE2  PHE  71           HE2      PHE  71 -11.278  -3.867   1.750
  459    HZ   PHE  71           HZ       PHE  71 -10.722  -4.933  -0.399
  460    H    HIS  72           HN       HIS  72 -11.819   2.502  -0.680
  461    HA   HIS  72           HA       HIS  72 -12.449   4.871   0.300
  462   1HB   HIS  72          HB2       HIS  72 -11.251   4.710  -1.776
  463   2HB   HIS  72          HB1       HIS  72 -12.663   4.063  -2.603
  464    HD1  HIS  72           HD1      HIS  72 -14.137   5.715  -3.743
  465    HD2  HIS  72           HD2      HIS  72 -11.611   7.511  -0.975
  466    HE1  HIS  72           HE1      HIS  72 -14.484   8.190  -4.022
  467    HE2  HIS  72           HE2      HIS  72 -13.008   9.253  -2.279
  468    H    ALA  73           HN       ALA  73 -14.194   5.891   1.003
  469    HA   ALA  73           HA       ALA  73 -16.349   6.569   1.281
  470   1HB   ALA  73          HB1       ALA  73 -17.831   6.574  -0.680
  471   2HB   ALA  73          HB2       ALA  73 -16.659   5.587  -1.554
  472   3HB   ALA  73          HB3       ALA  73 -16.234   7.224  -1.051
  Start of MODEL   11
    1   1H    GLU   1           HT1      GLU   1   0.363   2.062  12.337
    2   2H    GLU   1           HT2      GLU   1  -1.203   1.564  11.841
    3   3H    GLU   1           HT3      GLU   1  -1.025   2.728  13.090
    4    HA   GLU   1           HA       GLU   1  -1.197   4.278  11.608
    5   1HB   GLU   1          HB2       GLU   1   1.310   3.037  10.454
    6   2HB   GLU   1          HB1       GLU   1   0.767   4.690  10.200
    7   1HG   GLU   1          HG2       GLU   1   0.846   4.638  12.883
    8   2HG   GLU   1          HG1       GLU   1   2.112   3.468  12.515
    9    H    ALA   2           HN       ALA   2  -1.288   4.848   9.187
   10    HA   ALA   2           HA       ALA   2  -2.115   2.563   7.552
   11   1HB   ALA   2          HB1       ALA   2  -4.257   3.250   7.203
   12   2HB   ALA   2          HB2       ALA   2  -3.871   4.952   7.456
   13   3HB   ALA   2          HB3       ALA   2  -4.033   3.870   8.839
   14    H    GLY   3           HN       GLY   3  -2.814   3.541   5.268
   15   1HA   GLY   3          HA2       GLY   3  -0.450   4.693   4.196
   16   2HA   GLY   3          HA1       GLY   3  -1.948   4.409   3.321
   17    H    GLU   4           HN       GLU   4  -2.951   6.200   2.572
   18    HA   GLU   4           HA       GLU   4  -3.610   8.366   2.351
   19   1HB   GLU   4          HB2       GLU   4  -2.911   8.631   5.279
   20   2HB   GLU   4          HB1       GLU   4  -3.950   9.701   4.349
   21   1HG   GLU   4          HG2       GLU   4  -4.925   7.034   4.116
   22   2HG   GLU   4          HG1       GLU   4  -4.666   7.409   5.819
   23    H    GLU   5           HN       GLU   5  -0.946   8.563   4.723
   24    HA   GLU   5           HA       GLU   5   0.197  10.854   3.487
   25   1HB   GLU   5          HB2       GLU   5   1.593   8.954   5.372
   26   2HB   GLU   5          HB1       GLU   5   1.960  10.650   5.095
   27   1HG   GLU   5          HG2       GLU   5  -0.697   9.803   6.179
   28   2HG   GLU   5          HG1       GLU   5   0.705   9.993   7.231
   29    H    CYS   6           HN       CYS   6   2.982  10.067   3.616
   30    HA   CYS   6           HA       CYS   6   4.616   9.368   2.187
   31   1HB   CYS   6          HB2       CYS   6   4.285   7.166   2.911
   32   2HB   CYS   6          HB1       CYS   6   2.692   7.062   2.174
   33    H    ASP   7           HN       ASP   7   5.183   9.181  -0.088
   34    HA   ASP   7           HA       ASP   7   3.112   9.350  -2.072
   35   1HB   ASP   7          HB2       ASP   7   4.796  11.805  -1.534
   36   2HB   ASP   7          HB1       ASP   7   3.666  11.606  -2.870
   37    H    CYS   8           HN       CYS   8   5.081   7.502  -1.932
   38    HA   CYS   8           HA       CYS   8   7.005   8.369  -3.987
   39   1HB   CYS   8          HB2       CYS   8   7.249   6.314  -1.809
   40   2HB   CYS   8          HB1       CYS   8   8.258   6.269  -3.243
   41    H    GLY   9           HN       GLY   9   4.166   6.722  -3.707
   42   1HA   GLY   9          HA2       GLY   9   3.895   5.751  -6.176
   43   2HA   GLY   9          HA1       GLY   9   4.887   4.502  -5.455
   44    H    SER  10           HN       SER  10   3.321   2.890  -5.681
   45    HA   SER  10           HA       SER  10   1.441   2.653  -3.574
   46   1HB   SER  10          HB2       SER  10   0.146   2.806  -6.292
   47   2HB   SER  10          HB1       SER  10  -0.610   2.918  -4.703
   48    HG   SER  10           HG       SER  10   0.680   4.868  -6.193
   49    HA   PRO  11           HA       PRO  11   1.164  -1.671  -4.648
   50   1HB   PRO  11          HB2       PRO  11  -0.924  -1.506  -6.770
   51   2HB   PRO  11          HB1       PRO  11  -0.817  -2.595  -5.382
   52   1HG   PRO  11          HG2       PRO  11  -2.504  -0.532  -5.379
   53   2HG   PRO  11          HG1       PRO  11  -1.639  -1.013  -3.908
   54   1HD   PRO  11          HD2       PRO  11  -1.159   1.302  -5.720
   55   2HD   PRO  11          HD1       PRO  11  -0.935   1.178  -3.966
   56    H    GLY  12           HN       GLY  12   3.146  -1.776  -5.531
   57   1HA   GLY  12          HA2       GLY  12   4.172  -2.863  -7.525
   58   2HA   GLY  12          HA1       GLY  12   3.304  -1.669  -8.490
   59    H    ASN  13           HN       ASN  13   3.710   0.373  -6.468
   60    HA   ASN  13           HA       ASN  13   6.584   0.909  -6.762
   61   1HB   ASN  13          HB2       ASN  13   4.236   2.720  -7.300
   62   2HB   ASN  13          HB1       ASN  13   5.801   3.388  -6.846
   63   1HD2  ASN  13          HD21      ASN  13   4.152   1.370  -9.207
   64   2HD2  ASN  13          HD22      ASN  13   5.251   1.672 -10.505
   65    HA   PRO  14           HA       PRO  14   4.774   0.595  -2.310
   66   1HB   PRO  14          HB2       PRO  14   7.414  -0.301  -1.688
   67   2HB   PRO  14          HB1       PRO  14   5.943  -1.268  -1.740
   68   1HG   PRO  14          HG2       PRO  14   7.997  -0.842  -3.846
   69   2HG   PRO  14          HG1       PRO  14   7.064  -2.298  -3.462
   70   1HD   PRO  14          HD2       PRO  14   6.395  -0.891  -5.579
   71   2HD   PRO  14          HD1       PRO  14   5.103  -1.428  -4.475
   72    H    CYS  15           HN       CYS  15   4.839   2.415  -1.188
   73    HA   CYS  15           HA       CYS  15   5.807   4.752  -1.327
   74   1HB   CYS  15          HB2       CYS  15   5.007   3.569   0.835
   75   2HB   CYS  15          HB1       CYS  15   6.715   3.371   1.182
   76    H    CYS  16           HN       CYS  16   7.511   4.572  -2.942
   77    HA   CYS  16           HA       CYS  16   9.637   5.118  -3.487
   78   1HB   CYS  16          HB2       CYS  16   9.702   5.324  -0.586
   79   2HB   CYS  16          HB1       CYS  16  11.251   4.832  -1.258
   80    H    ASP  17           HN       ASP  17  11.438   4.047  -4.221
   81    HA   ASP  17           HA       ASP  17  12.190   1.470  -3.236
   82   1HB   ASP  17          HB2       ASP  17  11.606   0.401  -5.540
   83   2HB   ASP  17          HB1       ASP  17  10.349   0.545  -4.314
   84    H    ALA  18           HN       ALA  18  12.244   3.726  -5.965
   85    HA   ALA  18           HA       ALA  18  14.031   4.671  -7.044
   86   1HB   ALA  18          HB1       ALA  18  16.165   4.521  -6.216
   87   2HB   ALA  18          HB2       ALA  18  15.986   2.828  -5.755
   88   3HB   ALA  18          HB3       ALA  18  15.221   4.091  -4.790
   89    H    ALA  19           HN       ALA  19  13.854   1.191  -6.738
   90    HA   ALA  19           HA       ALA  19  13.912   0.795  -9.536
   91   1HB   ALA  19          HB1       ALA  19  16.324  -0.317  -8.141
   92   2HB   ALA  19          HB2       ALA  19  16.345   1.255  -8.939
   93   3HB   ALA  19          HB3       ALA  19  16.004  -0.202  -9.872
   94    H    THR  20           HN       THR  20  14.084  -0.492  -6.277
   95    HA   THR  20           HA       THR  20  12.653  -2.879  -7.212
   96    HB   THR  20           HB       THR  20  14.426  -4.097  -6.556
   97    HG1  THR  20           HG1      THR  20  14.196  -3.318  -3.895
   98   1HG2  THR  20          HG21      THR  20  15.523  -1.988  -4.737
   99   2HG2  THR  20          HG22      THR  20  15.786  -1.944  -6.480
  100   3HG2  THR  20          HG23      THR  20  16.367  -3.315  -5.535
  101    H    CYS  21           HN       CYS  21  10.889  -3.446  -6.012
  102    HA   CYS  21           HA       CYS  21   9.366  -1.730  -4.714
  103   1HB   CYS  21          HB2       CYS  21   9.728  -4.629  -3.946
  104   2HB   CYS  21          HB1       CYS  21   8.372  -3.634  -3.426
  105    H    LYS  22           HN       LYS  22  12.211  -3.176  -3.290
  106    HA   LYS  22           HA       LYS  22  11.665  -2.392  -0.602
  107   1HB   LYS  22          HB2       LYS  22  13.201  -4.232  -1.176
  108   2HB   LYS  22          HB1       LYS  22  14.294  -3.075  -1.923
  109   1HG   LYS  22          HG2       LYS  22  14.710  -2.026   0.206
  110   2HG   LYS  22          HG1       LYS  22  13.518  -3.068   0.986
  111   1HD   LYS  22          HD2       LYS  22  15.549  -4.092   1.495
  112   2HD   LYS  22          HD1       LYS  22  14.964  -5.012   0.108
  113   1HE   LYS  22          HE2       LYS  22  16.666  -2.652  -0.453
  114   2HE   LYS  22          HE1       LYS  22  17.453  -4.055   0.268
  115   1HZ   LYS  22          HZ1       LYS  22  16.481  -5.403  -1.550
  116   2HZ   LYS  22          HZ2       LYS  22  17.584  -4.241  -2.090
  117   3HZ   LYS  22          HZ3       LYS  22  15.923  -3.978  -2.274
  118    H    LEU  23           HN       LEU  23  12.162  -0.587   0.496
  119    HA   LEU  23           HA       LEU  23  13.616   1.536  -0.933
  120   1HB   LEU  23          HB2       LEU  23  12.144   3.079   0.534
  121   2HB   LEU  23          HB1       LEU  23  11.471   2.376  -0.922
  122    HG   LEU  23           HG       LEU  23  11.054   0.841   1.572
  123   1HD1  LEU  23          HD11      LEU  23  10.433   2.705   2.682
  124   2HD1  LEU  23          HD12      LEU  23   8.943   2.467   1.770
  125   3HD1  LEU  23          HD13      LEU  23  10.148   3.625   1.206
  126   1HD2  LEU  23          HD21      LEU  23  10.179   0.593  -0.950
  127   2HD2  LEU  23          HD22      LEU  23   8.876   1.573  -0.280
  128   3HD2  LEU  23          HD23      LEU  23   9.276   0.018   0.447
  129    H    ARG  24           HN       ARG  24  14.187   3.348   0.777
  130    HA   ARG  24           HA       ARG  24  16.127   2.248   2.489
  131   1HB   ARG  24          HB2       ARG  24  14.965   5.002   2.185
  132   2HB   ARG  24          HB1       ARG  24  16.142   4.653   3.443
  133   1HG   ARG  24          HG2       ARG  24  17.099   3.639   0.949
  134   2HG   ARG  24          HG1       ARG  24  16.617   5.326   0.757
  135   1HD   ARG  24          HD2       ARG  24  18.913   5.300   1.404
  136   2HD   ARG  24          HD1       ARG  24  17.974   5.860   2.787
  137    HE   ARG  24           HE       ARG  24  18.168   3.245   3.297
  138   1HH1  ARG  24          HH11      ARG  24  20.563   5.578   2.323
  139   2HH1  ARG  24          HH12      ARG  24  21.863   4.778   3.142
  140   1HH2  ARG  24          HH21      ARG  24  19.873   2.184   4.381
  141   2HH2  ARG  24          HH22      ARG  24  21.471   2.849   4.311
  142    H    GLN  25           HN       GLN  25  12.809   2.518   2.896
  143    HA   GLN  25           HA       GLN  25  13.093   2.051   5.779
  144   1HB   GLN  25          HB2       GLN  25  11.349   4.034   4.403
  145   2HB   GLN  25          HB1       GLN  25  10.731   3.238   5.844
  146   1HG   GLN  25          HG2       GLN  25  12.038   4.423   7.206
  147   2HG   GLN  25          HG1       GLN  25  13.441   4.272   6.150
  148   1HE2  GLN  25          HE21      GLN  25  10.729   6.197   7.052
  149   2HE2  GLN  25          HE22      GLN  25  11.111   7.576   6.085
  150    H    GLY  26           HN       GLY  26   9.936   2.287   4.451
  151   1HA   GLY  26          HA2       GLY  26   9.658  -0.408   3.590
  152   2HA   GLY  26          HA1       GLY  26   9.115  -0.227   5.251
  153    H    ALA  27           HN       ALA  27   8.301   0.077   1.999
  154    HA   ALA  27           HA       ALA  27   6.180   1.976   2.260
  155   1HB   ALA  27          HB1       ALA  27   7.222   0.201   0.103
  156   2HB   ALA  27          HB2       ALA  27   7.100   1.956   0.146
  157   3HB   ALA  27          HB3       ALA  27   5.651   0.977  -0.085
  158    H    GLN  28           HN       GLN  28   5.868  -0.213   4.119
  159    HA   GLN  28           HA       GLN  28   4.049  -2.156   3.199
  160   1HB   GLN  28          HB2       GLN  28   3.954  -1.268   6.030
  161   2HB   GLN  28          HB1       GLN  28   3.941  -2.889   5.360
  162   1HG   GLN  28          HG2       GLN  28   6.009  -2.916   6.190
  163   2HG   GLN  28          HG1       GLN  28   6.395  -2.173   4.640
  164   1HE2  GLN  28          HE21      GLN  28   4.923   0.300   5.720
  165   2HE2  GLN  28          HE22      GLN  28   6.111   1.078   6.701
  166    H    CYS  29           HN       CYS  29   2.350  -1.177   2.069
  167    HA   CYS  29           HA       CYS  29   0.288  -0.259   1.772
  168   1HB   CYS  29          HB2       CYS  29   0.124  -0.724   4.758
  169   2HB   CYS  29          HB1       CYS  29  -1.239  -0.256   3.751
  170    H    ALA  30           HN       ALA  30   2.287   1.563   1.834
  171    HA   ALA  30           HA       ALA  30   1.649   3.682   3.678
  172   1HB   ALA  30          HB1       ALA  30   3.942   3.097   2.551
  173   2HB   ALA  30          HB2       ALA  30   3.518   4.772   2.907
  174   3HB   ALA  30          HB3       ALA  30   3.335   4.144   1.270
  175    H    GLU  31           HN       GLU  31   2.195   5.587   1.179
  176    HA   GLU  31           HA       GLU  31  -0.300   6.647   0.852
  177   1HB   GLU  31          HB2       GLU  31   1.692   7.666  -0.155
  178   2HB   GLU  31          HB1       GLU  31   1.821   6.331  -1.292
  179   1HG   GLU  31          HG2       GLU  31   0.556   7.444  -2.715
  180   2HG   GLU  31          HG1       GLU  31  -0.777   7.378  -1.563
  181    H    GLY  32           HN       GLY  32   1.083   3.795  -0.477
  182   1HA   GLY  32          HA2       GLY  32  -1.514   2.778  -1.216
  183   2HA   GLY  32          HA1       GLY  32  -0.376   2.950  -2.551
  184    H    LEU  33           HN       LEU  33  -1.061   0.459  -2.278
  185    HA   LEU  33           HA       LEU  33   0.226  -0.975  -0.238
  186   1HB   LEU  33          HB2       LEU  33  -1.637  -1.607  -2.047
  187   2HB   LEU  33          HB1       LEU  33  -0.242  -2.328  -2.826
  188    HG   LEU  33           HG       LEU  33  -1.780  -3.677  -1.127
  189   1HD1  LEU  33          HD11      LEU  33   1.213  -3.904  -1.257
  190   2HD1  LEU  33          HD12      LEU  33   0.077  -4.570  -2.428
  191   3HD1  LEU  33          HD13      LEU  33   0.100  -5.178  -0.772
  192   1HD2  LEU  33          HD21      LEU  33  -1.020  -3.699   1.088
  193   2HD2  LEU  33          HD22      LEU  33  -1.179  -1.989   0.686
  194   3HD2  LEU  33          HD23      LEU  33   0.413  -2.748   0.697
  195    H    CYS  34           HN       CYS  34   1.971  -2.477  -0.377
  196    HA   CYS  34           HA       CYS  34   4.169  -1.538  -2.078
  197   1HB   CYS  34          HB2       CYS  34   5.260  -1.395  -0.099
  198   2HB   CYS  34          HB1       CYS  34   3.934  -2.179   0.734
  199    H    CYS  35           HN       CYS  35   5.843  -3.267  -2.523
  200    HA   CYS  35           HA       CYS  35   4.594  -5.875  -2.914
  201   1HB   CYS  35          HB2       CYS  35   6.027  -5.990  -5.095
  202   2HB   CYS  35          HB1       CYS  35   4.476  -5.162  -5.119
  203    H    ASP  36           HN       ASP  36   7.167  -4.120  -1.730
  204    HA   ASP  36           HA       ASP  36   9.089  -6.298  -1.913
  205   1HB   ASP  36          HB2       ASP  36  10.262  -4.337  -2.251
  206   2HB   ASP  36          HB1       ASP  36   9.218  -3.404  -1.190
  207    H    GLN  37           HN       GLN  37  10.352  -6.706   0.163
  208    HA   GLN  37           HA       GLN  37   8.877  -8.011   2.020
  209   1HB   GLN  37          HB2       GLN  37  11.476  -6.544   2.493
  210   2HB   GLN  37          HB1       GLN  37  10.805  -7.768   3.561
  211   1HG   GLN  37          HG2       GLN  37  10.958  -8.761   0.869
  212   2HG   GLN  37          HG1       GLN  37  12.524  -8.148   1.398
  213   1HE2  GLN  37          HE21      GLN  37  13.650  -9.928   1.833
  214   2HE2  GLN  37          HE22      GLN  37  13.162 -11.177   2.923
  215    H    CYS  38           HN       CYS  38   9.184  -4.563   1.721
  216    HA   CYS  38           HA       CYS  38   8.966  -3.238   3.915
  217   1HB   CYS  38          HB2       CYS  38   6.355  -2.757   2.806
  218   2HB   CYS  38          HB1       CYS  38   7.781  -1.733   2.754
  219    H    ARG  39           HN       ARG  39   6.136  -5.120   2.953
  220    HA   ARG  39           HA       ARG  39   5.132  -6.734   4.432
  221   1HB   ARG  39          HB2       ARG  39   5.700  -4.686   6.584
  222   2HB   ARG  39          HB1       ARG  39   4.735  -6.132   6.812
  223   1HG   ARG  39          HG2       ARG  39   7.153  -7.000   5.699
  224   2HG   ARG  39          HG1       ARG  39   7.576  -5.818   6.939
  225   1HD   ARG  39          HD2       ARG  39   5.883  -8.289   7.267
  226   2HD   ARG  39          HD1       ARG  39   7.479  -7.988   7.954
  227    HE   ARG  39           HE       ARG  39   5.811  -5.969   8.866
  228   1HH1  ARG  39          HH11      ARG  39   6.055  -9.433   9.120
  229   2HH1  ARG  39          HH12      ARG  39   5.321  -9.500  10.687
  230   1HH2  ARG  39          HH21      ARG  39   4.843  -6.044  10.930
  231   2HH2  ARG  39          HH22      ARG  39   4.631  -7.573  11.716
  232    H    PHE  40           HN       PHE  40   3.003  -6.206   5.965
  233    HA   PHE  40           HA       PHE  40   1.605  -3.874   5.006
  234   1HB   PHE  40          HB2       PHE  40   0.486  -6.548   4.180
  235   2HB   PHE  40          HB1       PHE  40   0.026  -4.941   3.610
  236    HD1  PHE  40           HD1      PHE  40   2.539  -7.596   3.415
  237    HD2  PHE  40           HD2      PHE  40   1.341  -3.785   1.949
  238    HE1  PHE  40           HE1      PHE  40   4.232  -7.747   1.656
  239    HE2  PHE  40           HE2      PHE  40   3.022  -3.938   0.179
  240    HZ   PHE  40           HZ       PHE  40   4.480  -5.918   0.030
  241    H    MET  41           HN       MET  41   0.529  -3.177   6.659
  242    HA   MET  41           HA       MET  41   0.144  -4.019   9.097
  243   1HB   MET  41          HB2       MET  41  -1.247  -2.220   7.428
  244   2HB   MET  41          HB1       MET  41  -2.467  -3.143   8.294
  245   1HG   MET  41          HG2       MET  41  -0.249  -2.184   9.952
  246   2HG   MET  41          HG1       MET  41  -1.245  -0.918   9.237
  247   1HE   MET  41          HE1       MET  41  -2.464  -4.161  12.188
  248   2HE   MET  41          HE2       MET  41  -1.121  -3.082  12.566
  249   3HE   MET  41          HE3       MET  41  -1.052  -4.108  11.133
  250    H    LYS  42           HN       LYS  42  -2.492  -4.752   6.807
  251    HA   LYS  42           HA       LYS  42  -3.742  -6.643   6.534
  252   1HB   LYS  42          HB2       LYS  42  -1.673  -7.957   7.030
  253   2HB   LYS  42          HB1       LYS  42  -2.092  -7.896   8.735
  254   1HG   LYS  42          HG2       LYS  42  -3.263  -9.747   8.467
  255   2HG   LYS  42          HG1       LYS  42  -4.373  -8.854   7.427
  256   1HD   LYS  42          HD2       LYS  42  -3.700 -10.654   6.103
  257   2HD   LYS  42          HD1       LYS  42  -2.674  -9.327   5.555
  258   1HE   LYS  42          HE2       LYS  42  -1.046 -10.874   5.825
  259   2HE   LYS  42          HE1       LYS  42  -1.114 -10.314   7.495
  260   1HZ   LYS  42          HZ1       LYS  42  -1.205 -12.823   7.022
  261   2HZ   LYS  42          HZ2       LYS  42  -2.819 -12.546   6.601
  262   3HZ   LYS  42          HZ3       LYS  42  -2.278 -12.179   8.161
  263    H    GLU  43           HN       GLU  43  -5.398  -5.286   7.309
  264    HA   GLU  43           HA       GLU  43  -7.032  -6.329   9.219
  265   1HB   GLU  43          HB2       GLU  43  -5.468  -5.852  10.956
  266   2HB   GLU  43          HB1       GLU  43  -5.225  -4.214  10.365
  267   1HG   GLU  43          HG2       GLU  43  -6.643  -3.667  12.002
  268   2HG   GLU  43          HG1       GLU  43  -7.881  -4.179  10.857
  269    H    GLY  44           HN       GLY  44  -5.908  -3.559   7.529
  270   1HA   GLY  44          HA2       GLY  44  -7.947  -2.720   6.172
  271   2HA   GLY  44          HA1       GLY  44  -8.494  -2.225   7.768
  272    H    THR  45           HN       THR  45  -5.230  -2.230   6.504
  273    HA   THR  45           HA       THR  45  -4.980   0.531   7.290
  274    HB   THR  45           HB       THR  45  -3.067  -1.496   6.215
  275    HG1  THR  45           HG1      THR  45  -3.807  -1.269   8.502
  276   1HG2  THR  45          HG21      THR  45  -2.822   1.291   5.869
  277   2HG2  THR  45          HG22      THR  45  -1.634   0.029   5.545
  278   3HG2  THR  45          HG23      THR  45  -1.700   0.791   7.134
  279    H    ILE  46           HN       ILE  46  -3.303  -0.347   4.379
  280    HA   ILE  46           HA       ILE  46  -5.257   0.974   2.722
  281    HB   ILE  46           HB       ILE  46  -2.982   2.425   3.780
  282   1HG1  ILE  46          HG12      ILE  46  -4.517   4.171   2.325
  283   2HG1  ILE  46          HG11      ILE  46  -5.661   2.880   2.678
  284   1HG2  ILE  46          HG21      ILE  46  -1.754   2.181   1.834
  285   2HG2  ILE  46          HG22      ILE  46  -2.655   3.667   1.531
  286   3HG2  ILE  46          HG23      ILE  46  -3.189   2.150   0.809
  287   1HD1  ILE  46          HD11      ILE  46  -4.227   4.700   4.556
  288   2HD1  ILE  46          HD12      ILE  46  -4.809   3.129   5.108
  289   3HD1  ILE  46          HD13      ILE  46  -5.944   4.313   4.457
  290    H    CYS  47           HN       CYS  47  -5.416  -0.543   1.199
  291    HA   CYS  47           HA       CYS  47  -2.965  -1.551  -0.076
  292   1HB   CYS  47          HB2       CYS  47  -4.000  -3.513  -0.420
  293   2HB   CYS  47          HB1       CYS  47  -5.164  -2.952   0.765
  294    H    ARG  48           HN       ARG  48  -4.576   1.054  -0.304
  295    HA   ARG  48           HA       ARG  48  -5.900   1.941  -2.219
  296   1HB   ARG  48          HB2       ARG  48  -2.966   2.625  -2.281
  297   2HB   ARG  48          HB1       ARG  48  -4.271   3.619  -2.905
  298   1HG   ARG  48          HG2       ARG  48  -4.747   2.949  -0.150
  299   2HG   ARG  48          HG1       ARG  48  -3.156   3.686  -0.352
  300   1HD   ARG  48          HD2       ARG  48  -4.959   5.157  -1.949
  301   2HD   ARG  48          HD1       ARG  48  -5.735   4.921  -0.384
  302    HE   ARG  48           HE       ARG  48  -3.321   5.741   0.370
  303   1HH1  ARG  48          HH11      ARG  48  -5.458   6.963  -2.092
  304   2HH1  ARG  48          HH12      ARG  48  -4.903   8.598  -1.946
  305   1HH2  ARG  48          HH21      ARG  48  -2.582   7.892   0.571
  306   2HH2  ARG  48          HH22      ARG  48  -3.268   9.125  -0.433
  307    H    ARG  49           HN       ARG  49  -6.596   1.182  -4.094
  308    HA   ARG  49           HA       ARG  49  -4.628   0.065  -5.969
  309   1HB   ARG  49          HB2       ARG  49  -7.069  -0.854  -6.841
  310   2HB   ARG  49          HB1       ARG  49  -5.901  -1.774  -5.903
  311   1HG   ARG  49          HG2       ARG  49  -7.038  -1.413  -3.903
  312   2HG   ARG  49          HG1       ARG  49  -7.955  -0.057  -4.563
  313   1HD   ARG  49          HD2       ARG  49  -9.080  -2.401  -4.251
  314   2HD   ARG  49          HD1       ARG  49  -9.434  -1.417  -5.671
  315    HE   ARG  49           HE       ARG  49  -7.265  -3.320  -5.957
  316   1HH1  ARG  49          HH11      ARG  49 -10.648  -2.637  -6.420
  317   2HH1  ARG  49          HH12      ARG  49 -10.861  -3.857  -7.630
  318   1HH2  ARG  49          HH21      ARG  49  -7.535  -4.928  -7.551
  319   2HH2  ARG  49          HH22      ARG  49  -9.092  -5.160  -8.273
  320    H    ALA  50           HN       ALA  50  -7.845   1.504  -6.009
  321    HA   ALA  50           HA       ALA  50  -7.097   3.635  -7.726
  322   1HB   ALA  50          HB1       ALA  50  -8.166   2.991  -9.769
  323   2HB   ALA  50          HB2       ALA  50  -8.734   1.483  -9.053
  324   3HB   ALA  50          HB3       ALA  50  -7.010   1.735  -9.327
  325    H    ARG  51           HN       ARG  51  -8.789   5.092  -8.153
  326    HA   ARG  51           HA       ARG  51 -11.478   4.564  -7.337
  327   1HB   ARG  51          HB2       ARG  51  -9.621   5.613  -5.422
  328   2HB   ARG  51          HB1       ARG  51 -10.819   6.846  -5.800
  329   1HG   ARG  51          HG2       ARG  51 -11.977   4.216  -5.395
  330   2HG   ARG  51          HG1       ARG  51 -11.097   4.820  -3.989
  331   1HD   ARG  51          HD2       ARG  51 -13.295   6.260  -5.474
  332   2HD   ARG  51          HD1       ARG  51 -13.447   5.488  -3.899
  333    HE   ARG  51           HE       ARG  51 -12.116   8.006  -4.496
  334   1HH1  ARG  51          HH11      ARG  51 -12.823   5.520  -2.155
  335   2HH1  ARG  51          HH12      ARG  51 -12.431   6.514  -0.794
  336   1HH2  ARG  51          HH21      ARG  51 -11.599   9.316  -2.708
  337   2HH2  ARG  51          HH22      ARG  51 -11.738   8.671  -1.107
  338    H    GLY  52           HN       GLY  52 -10.552   5.299  -9.782
  339   1HA   GLY  52          HA2       GLY  52 -11.278   6.772 -11.425
  340   2HA   GLY  52          HA1       GLY  52 -11.896   7.829 -10.165
  341    H    ASP  53           HN       ASP  53 -10.197   9.007  -8.881
  342    HA   ASP  53           HA       ASP  53  -7.719   9.493 -10.336
  343   1HB   ASP  53          HB2       ASP  53  -8.405  12.069  -9.840
  344   2HB   ASP  53          HB1       ASP  53  -8.670  11.264 -11.383
  345    H    ASP  54           HN       ASP  54  -8.874   8.567  -7.623
  346    HA   ASP  54           HA       ASP  54  -7.133  10.267  -5.956
  347   1HB   ASP  54          HB2       ASP  54  -9.799   9.025  -5.376
  348   2HB   ASP  54          HB1       ASP  54  -8.677   9.371  -4.063
  349    H    LEU  55           HN       LEU  55  -8.611   7.029  -6.064
  350    HA   LEU  55           HA       LEU  55  -7.585   4.966  -5.903
  351   1HB   LEU  55          HB2       LEU  55  -5.067   6.254  -4.908
  352   2HB   LEU  55          HB1       LEU  55  -5.263   4.724  -5.740
  353    HG   LEU  55           HG       LEU  55  -4.968   7.450  -6.840
  354   1HD1  LEU  55          HD11      LEU  55  -3.346   5.452  -6.908
  355   2HD1  LEU  55          HD12      LEU  55  -3.586   6.404  -8.373
  356   3HD1  LEU  55          HD13      LEU  55  -4.394   4.847  -8.192
  357   1HD2  LEU  55          HD21      LEU  55  -6.090   6.425  -8.994
  358   2HD2  LEU  55          HD22      LEU  55  -7.039   7.302  -7.794
  359   3HD2  LEU  55          HD23      LEU  55  -7.032   5.538  -7.797
  360    H    ASP  56           HN       ASP  56  -8.687   4.108  -4.226
  361    HA   ASP  56           HA       ASP  56  -7.606   4.578  -1.539
  362   1HB   ASP  56          HB2       ASP  56 -10.549   4.478  -2.221
  363   2HB   ASP  56          HB1       ASP  56  -9.873   4.628  -0.604
  364    H    ASP  57           HN       ASP  57  -8.065   2.869  -0.021
  365    HA   ASP  57           HA       ASP  57  -9.378   0.531  -0.354
  366   1HB   ASP  57          HB2       ASP  57  -7.300   0.667  -2.297
  367   2HB   ASP  57          HB1       ASP  57  -6.867  -0.572  -1.127
  368    H    TYR  58           HN       TYR  58  -8.929  -0.970   1.259
  369    HA   TYR  58           HA       TYR  58  -6.993  -0.048   3.257
  370   1HB   TYR  58          HB2       TYR  58  -9.523  -1.655   3.445
  371   2HB   TYR  58          HB1       TYR  58  -8.356  -1.620   4.763
  372    HD1  TYR  58           HD1      TYR  58  -8.195   1.435   3.093
  373    HD2  TYR  58           HD2      TYR  58 -10.615  -0.720   5.845
  374    HE1  TYR  58           HE1      TYR  58  -9.165   3.553   3.878
  375    HE2  TYR  58           HE2      TYR  58 -11.596   1.392   6.641
  376    HH   TYR  58           HH       TYR  58 -10.995   4.422   5.038
  377    H    CYS  59           HN       CYS  59  -5.834  -1.636   4.517
  378    HA   CYS  59           HA       CYS  59  -4.976  -3.874   2.841
  379   1HB   CYS  59          HB2       CYS  59  -3.653  -2.082   4.758
  380   2HB   CYS  59          HB1       CYS  59  -3.061  -3.730   4.720
  381    H    ASN  60           HN       ASN  60  -6.009  -5.692   3.336
  382    HA   ASN  60           HA       ASN  60  -6.208  -6.503   6.160
  383   1HB   ASN  60          HB2       ASN  60  -8.055  -6.969   3.838
  384   2HB   ASN  60          HB1       ASN  60  -8.043  -8.077   5.208
  385   1HD2  ASN  60          HD21      ASN  60  -7.702  -4.558   5.024
  386   2HD2  ASN  60          HD22      ASN  60  -9.032  -4.202   6.062
  387    H    GLY  61           HN       GLY  61  -6.664  -8.336   3.227
  388   1HA   GLY  61          HA2       GLY  61  -4.561 -10.209   4.062
  389   2HA   GLY  61          HA1       GLY  61  -5.747 -10.485   2.782
  390    H    ILE  62           HN       ILE  62  -3.740  -7.700   3.374
  391    HA   ILE  62           HA       ILE  62  -2.912  -7.549   0.636
  392    HB   ILE  62           HB       ILE  62  -1.756  -5.449   1.443
  393   1HG1  ILE  62          HG12      ILE  62  -1.829  -4.758   3.597
  394   2HG1  ILE  62          HG11      ILE  62  -3.481  -5.298   3.807
  395   1HG2  ILE  62          HG21      ILE  62  -4.683  -5.509   2.064
  396   2HG2  ILE  62          HG22      ILE  62  -4.070  -5.718   0.429
  397   3HG2  ILE  62          HG23      ILE  62  -3.744  -4.228   1.305
  398   1HD1  ILE  62          HD11      ILE  62  -1.174  -6.351   4.954
  399   2HD1  ILE  62          HD12      ILE  62  -1.709  -7.556   3.796
  400   3HD1  ILE  62          HD13      ILE  62  -2.805  -6.996   5.034
  401    H    SER  63           HN       SER  63  -1.485  -9.509   0.636
  402    HA   SER  63           HA       SER  63   1.042  -9.114   2.034
  403   1HB   SER  63          HB2       SER  63   1.644 -11.292   0.861
  404   2HB   SER  63          HB1       SER  63   0.368 -11.373   2.075
  405    HG   SER  63           HG       SER  63  -0.437 -12.447   0.346
  406    H    ALA  64           HN       ALA  64   0.696  -7.076   0.518
  407    HA   ALA  64           HA       ALA  64   1.924  -5.813  -0.919
  408   1HB   ALA  64          HB1       ALA  64   3.391  -8.212  -0.987
  409   2HB   ALA  64          HB2       ALA  64   3.893  -6.608  -1.496
  410   3HB   ALA  64          HB3       ALA  64   3.148  -7.700  -2.657
  411    H    GLY  65           HN       GLY  65  -0.722  -6.790  -1.224
  412   1HA   GLY  65          HA2       GLY  65  -1.078  -6.241  -4.063
  413   2HA   GLY  65          HA1       GLY  65  -1.709  -7.778  -3.483
  414    H    CYS  66           HN       CYS  66  -3.720  -7.804  -2.706
  415    HA   CYS  66           HA       CYS  66  -4.881  -5.735  -1.175
  416   1HB   CYS  66          HB2       CYS  66  -5.516  -5.774  -4.090
  417   2HB   CYS  66          HB1       CYS  66  -6.781  -5.355  -2.941
  418    HA   PRO  67           HA       PRO  67  -7.325  -9.174   0.077
  419   1HB   PRO  67          HB2       PRO  67  -9.501  -7.810   1.063
  420   2HB   PRO  67          HB1       PRO  67  -7.987  -8.036   1.943
  421   1HG   PRO  67          HG2       PRO  67  -8.936  -5.672   0.377
  422   2HG   PRO  67          HG1       PRO  67  -8.077  -5.719   1.928
  423   1HD   PRO  67          HD2       PRO  67  -6.812  -5.142  -0.369
  424   2HD   PRO  67          HD1       PRO  67  -6.024  -6.067   0.924
  425    H    ARG  68           HN       ARG  68  -9.956  -6.970  -0.590
  426    HA   ARG  68           HA       ARG  68 -10.641  -8.421  -3.035
  427   1HB   ARG  68          HB2       ARG  68 -12.501  -8.046  -0.680
  428   2HB   ARG  68          HB1       ARG  68 -12.993  -8.643  -2.259
  429   1HG   ARG  68          HG2       ARG  68 -11.174 -10.445  -1.866
  430   2HG   ARG  68          HG1       ARG  68 -11.323  -9.972  -0.172
  431   1HD   ARG  68          HD2       ARG  68 -12.958 -11.516  -0.137
  432   2HD   ARG  68          HD1       ARG  68 -13.927 -10.229  -0.853
  433    HE   ARG  68           HE       ARG  68 -12.866 -11.413  -3.017
  434   1HH1  ARG  68          HH11      ARG  68 -14.499 -12.688  -0.219
  435   2HH1  ARG  68          HH12      ARG  68 -15.165 -14.045  -1.064
  436   1HH2  ARG  68          HH21      ARG  68 -13.738 -13.195  -4.142
  437   2HH2  ARG  68          HH22      ARG  68 -14.732 -14.333  -3.295
  438    H    ASN  69           HN       ASN  69 -13.362  -6.779  -2.173
  439    HA   ASN  69           HA       ASN  69 -12.387  -4.210  -3.183
  440   1HB   ASN  69          HB2       ASN  69 -14.649  -5.843  -4.321
  441   2HB   ASN  69          HB1       ASN  69 -14.496  -4.113  -4.610
  442   1HD2  ASN  69          HD21      ASN  69 -14.045  -6.890  -6.065
  443   2HD2  ASN  69          HD22      ASN  69 -12.647  -6.556  -7.022
  444    HA   PRO  70           HA       PRO  70 -15.846  -3.860   0.064
  445   1HB   PRO  70          HB2       PRO  70 -14.680  -4.157   2.438
  446   2HB   PRO  70          HB1       PRO  70 -15.176  -5.573   1.500
  447   1HG   PRO  70          HG2       PRO  70 -12.456  -4.350   1.784
  448   2HG   PRO  70          HG1       PRO  70 -12.921  -6.060   1.835
  449   1HD   PRO  70          HD2       PRO  70 -11.899  -4.805  -0.390
  450   2HD   PRO  70          HD1       PRO  70 -12.933  -6.246  -0.440
  451    H    PHE  71           HN       PHE  71 -13.088  -2.404  -0.875
  452    HA   PHE  71           HA       PHE  71 -13.585  -0.025   0.787
  453   1HB   PHE  71          HB2       PHE  71 -10.880  -0.716  -0.332
  454   2HB   PHE  71          HB1       PHE  71 -11.279   0.397   0.974
  455    HD1  PHE  71           HD1      PHE  71 -10.001  -2.758   0.226
  456    HD2  PHE  71           HD2      PHE  71 -12.508  -0.758   3.025
  457    HE1  PHE  71           HE1      PHE  71  -9.597  -4.550   1.863
  458    HE2  PHE  71           HE2      PHE  71 -12.107  -2.546   4.667
  459    HZ   PHE  71           HZ       PHE  71 -10.649  -4.445   4.087
  460    H    HIS  72           HN       HIS  72 -11.186   0.902  -1.203
  461    HA   HIS  72           HA       HIS  72 -11.051   2.089  -3.132
  462   1HB   HIS  72          HB2       HIS  72 -11.750   0.130  -4.326
  463   2HB   HIS  72          HB1       HIS  72 -13.428   0.368  -3.849
  464    HD1  HIS  72           HD1      HIS  72 -11.267   0.850  -6.634
  465    HD2  HIS  72           HD2      HIS  72 -14.414   2.999  -4.978
  466    HE1  HIS  72           HE1      HIS  72 -12.060   2.393  -8.455
  467    HE2  HIS  72           HE2      HIS  72 -13.898   3.753  -7.397
  468    H    ALA  73           HN       ALA  73 -14.588   1.754  -2.894
  469    HA   ALA  73           HA       ALA  73 -14.748   4.689  -2.793
  470   1HB   ALA  73          HB1       ALA  73 -16.344   2.617  -4.119
  471   2HB   ALA  73          HB2       ALA  73 -16.082   4.306  -4.556
  472   3HB   ALA  73          HB3       ALA  73 -17.286   3.887  -3.337
  Start of MODEL   12
    1   1H    GLU   1           HT1      GLU   1  -9.178   9.798   7.759
    2   2H    GLU   1           HT2      GLU   1 -10.133  10.062   9.161
    3   3H    GLU   1           HT3      GLU   1 -10.479   8.743   8.119
    4    HA   GLU   1           HA       GLU   1  -7.910   9.039   9.501
    5   1HB   GLU   1          HB2       GLU   1 -10.399   8.723  10.721
    6   2HB   GLU   1          HB1       GLU   1  -9.753   7.091  10.625
    7   1HG   GLU   1          HG2       GLU   1  -7.699   7.871  11.741
    8   2HG   GLU   1          HG1       GLU   1  -8.422   9.472  11.898
    9    H    ALA   2           HN       ALA   2  -7.289   8.242   7.296
   10    HA   ALA   2           HA       ALA   2  -7.076   5.369   7.368
   11   1HB   ALA   2          HB1       ALA   2  -9.274   6.175   6.097
   12   2HB   ALA   2          HB2       ALA   2  -8.338   4.773   5.579
   13   3HB   ALA   2          HB3       ALA   2  -8.123   6.325   4.769
   14    H    GLY   3           HN       GLY   3  -6.830   7.843   4.806
   15   1HA   GLY   3          HA2       GLY   3  -4.678   7.050   3.431
   16   2HA   GLY   3          HA1       GLY   3  -4.923   8.743   3.828
   17    H    GLU   4           HN       GLU   4  -3.073   5.896   4.451
   18    HA   GLU   4           HA       GLU   4  -1.793   6.638   6.833
   19   1HB   GLU   4          HB2       GLU   4  -1.040   4.839   4.552
   20   2HB   GLU   4          HB1       GLU   4   0.101   5.149   5.853
   21   1HG   GLU   4          HG2       GLU   4  -1.871   4.457   7.393
   22   2HG   GLU   4          HG1       GLU   4  -2.510   3.710   5.930
   23    H    GLU   5           HN       GLU   5   0.707   6.989   6.833
   24    HA   GLU   5           HA       GLU   5   1.166   9.568   5.726
   25   1HB   GLU   5          HB2       GLU   5   3.297   7.769   6.862
   26   2HB   GLU   5          HB1       GLU   5   3.243   9.526   6.861
   27   1HG   GLU   5          HG2       GLU   5   1.030   8.177   8.255
   28   2HG   GLU   5          HG1       GLU   5   2.626   8.002   8.984
   29    H    CYS   6           HN       CYS   6   3.927   9.348   5.037
   30    HA   CYS   6           HA       CYS   6   5.232   9.115   3.186
   31   1HB   CYS   6          HB2       CYS   6   5.239   6.764   3.842
   32   2HB   CYS   6          HB1       CYS   6   3.731   6.495   2.976
   33    H    ASP   7           HN       ASP   7   5.248   9.458   0.930
   34    HA   ASP   7           HA       ASP   7   2.661   9.502  -0.434
   35   1HB   ASP   7          HB2       ASP   7   4.489  11.899  -0.185
   36   2HB   ASP   7          HB1       ASP   7   3.112  11.803  -1.280
   37    H    CYS   8           HN       CYS   8   5.180   7.938  -0.612
   38    HA   CYS   8           HA       CYS   8   6.370   8.734  -3.140
   39   1HB   CYS   8          HB2       CYS   8   6.760   6.308  -1.424
   40   2HB   CYS   8          HB1       CYS   8   7.675   6.657  -2.877
   41    H    GLY   9           HN       GLY   9   3.634   6.999  -2.218
   42   1HA   GLY   9          HA2       GLY   9   2.191   6.165  -4.019
   43   2HA   GLY   9          HA1       GLY   9   3.641   5.491  -4.759
   44    H    SER  10           HN       SER  10   2.144   3.470  -4.623
   45    HA   SER  10           HA       SER  10   3.145   1.911  -2.507
   46   1HB   SER  10          HB2       SER  10   0.388   2.966  -2.201
   47   2HB   SER  10          HB1       SER  10   0.788   1.365  -1.587
   48    HG   SER  10           HG       SER  10   2.707   2.711  -0.685
   49    HA   PRO  11           HA       PRO  11   0.431  -1.213  -4.702
   50   1HB   PRO  11          HB2       PRO  11  -1.821  -0.485  -5.982
   51   2HB   PRO  11          HB1       PRO  11  -1.768  -0.741  -4.233
   52   1HG   PRO  11          HG2       PRO  11  -1.630   1.832  -5.770
   53   2HG   PRO  11          HG1       PRO  11  -2.595   1.441  -4.333
   54   1HD   PRO  11          HD2       PRO  11  -0.250   2.790  -4.182
   55   2HD   PRO  11          HD1       PRO  11  -0.797   1.687  -2.904
   56    H    GLY  12           HN       GLY  12   2.113  -1.430  -6.126
   57   1HA   GLY  12          HA2       GLY  12   2.592  -1.825  -8.442
   58   2HA   GLY  12          HA1       GLY  12   1.585  -0.439  -8.851
   59    H    ASN  13           HN       ASN  13   2.848   0.978  -6.515
   60    HA   ASN  13           HA       ASN  13   5.539   1.475  -7.539
   61   1HB   ASN  13          HB2       ASN  13   3.387   3.569  -7.174
   62   2HB   ASN  13          HB1       ASN  13   5.100   3.957  -7.312
   63   1HD2  ASN  13          HD21      ASN  13   6.057   2.496  -9.254
   64   2HD2  ASN  13          HD22      ASN  13   5.223   2.756 -10.744
   65    HA   PRO  14           HA       PRO  14   4.982   0.407  -2.894
   66   1HB   PRO  14          HB2       PRO  14   7.848   0.335  -3.786
   67   2HB   PRO  14          HB1       PRO  14   7.026  -0.687  -2.606
   68   1HG   PRO  14          HG2       PRO  14   7.421  -1.387  -5.236
   69   2HG   PRO  14          HG1       PRO  14   6.134  -2.041  -4.212
   70   1HD   PRO  14          HD2       PRO  14   5.852  -0.387  -6.529
   71   2HD   PRO  14          HD1       PRO  14   4.568  -0.976  -5.452
   72    H    CYS  15           HN       CYS  15   4.722   2.101  -1.626
   73    HA   CYS  15           HA       CYS  15   5.374   4.672  -1.940
   74   1HB   CYS  15          HB2       CYS  15   4.299   3.236   0.121
   75   2HB   CYS  15          HB1       CYS  15   5.781   3.842   0.851
   76    H    CYS  16           HN       CYS  16   7.337   4.837  -2.990
   77    HA   CYS  16           HA       CYS  16   9.339   5.986  -2.679
   78   1HB   CYS  16          HB2       CYS  16   9.799   4.248  -0.269
   79   2HB   CYS  16          HB1       CYS  16  10.907   5.468  -0.868
   80    H    ASP  17           HN       ASP  17   8.715   3.924  -4.408
   81    HA   ASP  17           HA       ASP  17  10.850   1.995  -4.416
   82   1HB   ASP  17          HB2       ASP  17   9.944   1.628  -6.828
   83   2HB   ASP  17          HB1       ASP  17   8.934   1.170  -5.459
   84    H    ALA  18           HN       ALA  18  10.283   5.157  -5.741
   85    HA   ALA  18           HA       ALA  18  11.808   6.657  -6.586
   86   1HB   ALA  18          HB1       ALA  18  14.009   6.265  -6.371
   87   2HB   ALA  18          HB2       ALA  18  13.922   4.730  -7.235
   88   3HB   ALA  18          HB3       ALA  18  13.492   4.805  -5.526
   89    H    ALA  19           HN       ALA  19  11.693   3.474  -8.080
   90    HA   ALA  19           HA       ALA  19  10.646   4.442 -10.518
   91   1HB   ALA  19          HB1       ALA  19  13.580   3.957 -10.334
   92   2HB   ALA  19          HB2       ALA  19  12.695   5.198 -11.222
   93   3HB   ALA  19          HB3       ALA  19  12.731   3.540 -11.823
   94    H    THR  20           HN       THR  20  12.278   1.914  -8.718
   95    HA   THR  20           HA       THR  20  10.514  -0.065  -9.971
   96    HB   THR  20           HB       THR  20  12.984  -0.063 -10.803
   97    HG1  THR  20           HG1      THR  20  11.210  -2.002 -10.360
   98   1HG2  THR  20          HG21      THR  20  14.479  -1.473  -9.496
   99   2HG2  THR  20          HG22      THR  20  13.311  -1.486  -8.174
  100   3HG2  THR  20          HG23      THR  20  14.090   0.023  -8.648
  101    H    CYS  21           HN       CYS  21   9.560  -1.411  -8.540
  102    HA   CYS  21           HA       CYS  21   9.152  -0.914  -5.969
  103   1HB   CYS  21          HB2       CYS  21   9.504  -3.667  -7.167
  104   2HB   CYS  21          HB1       CYS  21   8.793  -3.369  -5.584
  105    H    LYS  22           HN       LYS  22  10.893  -0.032  -4.876
  106    HA   LYS  22           HA       LYS  22  12.478  -1.828  -3.365
  107   1HB   LYS  22          HB2       LYS  22  13.818  -2.007  -5.366
  108   2HB   LYS  22          HB1       LYS  22  13.883  -0.258  -5.530
  109   1HG   LYS  22          HG2       LYS  22  15.906  -0.565  -4.580
  110   2HG   LYS  22          HG1       LYS  22  14.952  -0.482  -3.098
  111   1HD   LYS  22          HD2       LYS  22  16.064  -2.415  -2.664
  112   2HD   LYS  22          HD1       LYS  22  14.725  -3.096  -3.591
  113   1HE   LYS  22          HE2       LYS  22  17.149  -2.177  -5.053
  114   2HE   LYS  22          HE1       LYS  22  17.237  -3.689  -4.150
  115   1HZ   LYS  22          HZ1       LYS  22  15.577  -3.018  -6.484
  116   2HZ   LYS  22          HZ2       LYS  22  15.054  -4.212  -5.407
  117   3HZ   LYS  22          HZ3       LYS  22  16.534  -4.386  -6.208
  118    H    LEU  23           HN       LEU  23  12.390  -0.843  -1.448
  119    HA   LEU  23           HA       LEU  23  13.295   1.897  -1.187
  120   1HB   LEU  23          HB2       LEU  23  11.348   2.684  -0.031
  121   2HB   LEU  23          HB1       LEU  23  10.863   2.061  -1.595
  122    HG   LEU  23           HG       LEU  23  10.358   0.897   1.114
  123   1HD1  LEU  23          HD11      LEU  23   8.878   2.341  -0.812
  124   2HD1  LEU  23          HD12      LEU  23   8.323   1.670   0.722
  125   3HD1  LEU  23          HD13      LEU  23   8.227   0.705  -0.751
  126   1HD2  LEU  23          HD21      LEU  23   9.404  -1.071  -0.205
  127   2HD2  LEU  23          HD22      LEU  23  11.152  -1.011   0.008
  128   3HD2  LEU  23          HD23      LEU  23  10.434  -0.527  -1.528
  129    H    ARG  24           HN       ARG  24  13.836   2.487   0.967
  130    HA   ARG  24           HA       ARG  24  14.375   0.163   2.672
  131   1HB   ARG  24          HB2       ARG  24  15.635   2.882   2.435
  132   2HB   ARG  24          HB1       ARG  24  15.904   1.877   3.853
  133   1HG   ARG  24          HG2       ARG  24  16.755   0.088   2.363
  134   2HG   ARG  24          HG1       ARG  24  16.595   1.201   1.003
  135   1HD   ARG  24          HD2       ARG  24  18.071   2.787   2.348
  136   2HD   ARG  24          HD1       ARG  24  18.422   1.402   3.381
  137    HE   ARG  24           HE       ARG  24  19.487   1.916   0.788
  138   1HH1  ARG  24          HH11      ARG  24  18.528  -0.627   2.964
  139   2HH1  ARG  24          HH12      ARG  24  19.602  -1.799   2.276
  140   1HH2  ARG  24          HH21      ARG  24  20.904   0.382  -0.128
  141   2HH2  ARG  24          HH22      ARG  24  20.953  -1.225   0.517
  142    H    GLN  25           HN       GLN  25  11.995   2.328   2.382
  143    HA   GLN  25           HA       GLN  25  11.723   2.868   5.251
  144   1HB   GLN  25          HB2       GLN  25  11.240   4.448   3.014
  145   2HB   GLN  25          HB1       GLN  25   9.636   3.975   3.557
  146   1HG   GLN  25          HG2       GLN  25  10.077   5.987   4.653
  147   2HG   GLN  25          HG1       GLN  25  10.357   4.739   5.867
  148   1HE2  GLN  25          HE21      GLN  25  12.486   4.252   6.477
  149   2HE2  GLN  25          HE22      GLN  25  13.781   5.362   6.201
  150    H    GLY  26           HN       GLY  26  10.739   0.644   2.974
  151   1HA   GLY  26          HA2       GLY  26   9.196  -1.053   3.023
  152   2HA   GLY  26          HA1       GLY  26   9.016  -0.711   4.737
  153    H    ALA  27           HN       ALA  27   7.800  -0.093   1.544
  154    HA   ALA  27           HA       ALA  27   5.616   1.564   2.519
  155   1HB   ALA  27          HB1       ALA  27   6.609   2.308   0.499
  156   2HB   ALA  27          HB2       ALA  27   5.032   1.645   0.085
  157   3HB   ALA  27          HB3       ALA  27   6.484   0.711  -0.226
  158    H    GLN  28           HN       GLN  28   5.786  -1.271   3.270
  159    HA   GLN  28           HA       GLN  28   4.329  -3.099   1.978
  160   1HB   GLN  28          HB2       GLN  28   3.727  -2.526   4.869
  161   2HB   GLN  28          HB1       GLN  28   3.778  -4.076   4.057
  162   1HG   GLN  28          HG2       GLN  28   5.835  -4.322   4.773
  163   2HG   GLN  28          HG1       GLN  28   6.311  -3.000   3.709
  164   1HE2  GLN  28          HE21      GLN  28   4.808  -0.999   5.142
  165   2HE2  GLN  28          HE22      GLN  28   5.657  -0.696   6.615
  166    H    CYS  29           HN       CYS  29   2.614  -1.178   4.389
  167    HA   CYS  29           HA       CYS  29   0.346  -0.908   2.547
  168   1HB   CYS  29          HB2       CYS  29   0.340  -1.936   5.374
  169   2HB   CYS  29          HB1       CYS  29  -1.077  -1.117   4.728
  170    H    ALA  30           HN       ALA  30   2.256   0.961   2.846
  171    HA   ALA  30           HA       ALA  30   1.751   2.871   4.907
  172   1HB   ALA  30          HB1       ALA  30   3.253   4.322   3.686
  173   2HB   ALA  30          HB2       ALA  30   3.126   3.299   2.255
  174   3HB   ALA  30          HB3       ALA  30   3.906   2.684   3.713
  175    H    GLU  31           HN       GLU  31   1.838   5.095   2.684
  176    HA   GLU  31           HA       GLU  31  -0.666   6.112   2.886
  177   1HB   GLU  31          HB2       GLU  31   0.957   7.406   1.725
  178   2HB   GLU  31          HB1       GLU  31   1.215   6.147   0.525
  179   1HG   GLU  31          HG2       GLU  31  -0.239   7.152  -0.796
  180   2HG   GLU  31          HG1       GLU  31  -1.506   6.831   0.387
  181    H    GLY  32           HN       GLY  32   0.431   3.467   0.973
  182   1HA   GLY  32          HA2       GLY  32  -2.272   2.540   0.573
  183   2HA   GLY  32          HA1       GLY  32  -1.376   2.886  -0.907
  184    H    LEU  33           HN       LEU  33  -1.508   0.585  -1.424
  185    HA   LEU  33           HA       LEU  33  -0.321  -1.279   0.368
  186   1HB   LEU  33          HB2       LEU  33  -1.994  -1.527  -1.737
  187   2HB   LEU  33          HB1       LEU  33  -0.497  -2.080  -2.456
  188    HG   LEU  33           HG       LEU  33  -1.996  -3.859  -1.403
  189   1HD1  LEU  33          HD11      LEU  33   0.371  -4.220  -1.974
  190   2HD1  LEU  33          HD12      LEU  33  -0.137  -5.130  -0.550
  191   3HD1  LEU  33          HD13      LEU  33   0.807  -3.652  -0.364
  192   1HD2  LEU  33          HD21      LEU  33  -1.790  -2.127   0.800
  193   2HD2  LEU  33          HD22      LEU  33  -0.882  -3.574   1.217
  194   3HD2  LEU  33          HD23      LEU  33  -2.570  -3.701   0.740
  195    H    CYS  34           HN       CYS  34   1.152  -2.564  -2.129
  196    HA   CYS  34           HA       CYS  34   3.473  -0.952  -2.485
  197   1HB   CYS  34          HB2       CYS  34   3.407  -1.996  -0.025
  198   2HB   CYS  34          HB1       CYS  34   4.085  -3.368  -0.879
  199    H    CYS  35           HN       CYS  35   5.338  -3.156  -2.638
  200    HA   CYS  35           HA       CYS  35   4.330  -5.234  -4.228
  201   1HB   CYS  35          HB2       CYS  35   4.046  -4.049  -6.140
  202   2HB   CYS  35          HB1       CYS  35   5.110  -2.757  -5.607
  203    H    ASP  36           HN       ASP  36   7.077  -3.323  -3.268
  204    HA   ASP  36           HA       ASP  36   8.941  -5.428  -3.946
  205   1HB   ASP  36          HB2       ASP  36  10.440  -3.727  -2.450
  206   2HB   ASP  36          HB1       ASP  36  10.191  -3.574  -4.183
  207    H    GLN  37           HN       GLN  37  10.752  -5.512  -1.996
  208    HA   GLN  37           HA       GLN  37   9.850  -7.435  -0.263
  209   1HB   GLN  37          HB2       GLN  37  12.105  -5.563   0.424
  210   2HB   GLN  37          HB1       GLN  37  11.927  -7.256   0.865
  211   1HG   GLN  37          HG2       GLN  37  13.225  -7.729  -0.864
  212   2HG   GLN  37          HG1       GLN  37  11.871  -7.279  -1.899
  213   1HE2  GLN  37          HE21      GLN  37  14.743  -6.031  -0.290
  214   2HE2  GLN  37          HE22      GLN  37  15.047  -4.759  -1.419
  215    H    CYS  38           HN       CYS  38   9.324  -4.061  -0.043
  216    HA   CYS  38           HA       CYS  38   9.265  -3.248   2.469
  217   1HB   CYS  38          HB2       CYS  38   6.830  -2.366   1.977
  218   2HB   CYS  38          HB1       CYS  38   8.193  -1.777   1.032
  219    H    ARG  39           HN       ARG  39   6.908  -5.574   1.192
  220    HA   ARG  39           HA       ARG  39   6.080  -7.438   2.333
  221   1HB   ARG  39          HB2       ARG  39   7.727  -6.635   4.272
  222   2HB   ARG  39          HB1       ARG  39   6.210  -6.130   5.004
  223   1HG   ARG  39          HG2       ARG  39   5.586  -8.645   4.224
  224   2HG   ARG  39          HG1       ARG  39   7.305  -8.817   4.583
  225   1HD   ARG  39          HD2       ARG  39   5.145  -7.799   6.422
  226   2HD   ARG  39          HD1       ARG  39   6.054  -9.302   6.573
  227    HE   ARG  39           HE       ARG  39   6.852  -6.743   7.491
  228   1HH1  ARG  39          HH11      ARG  39   8.093  -9.666   6.062
  229   2HH1  ARG  39          HH12      ARG  39   9.679  -9.475   6.731
  230   1HH2  ARG  39          HH21      ARG  39   8.938  -6.480   8.377
  231   2HH2  ARG  39          HH22      ARG  39  10.159  -7.664   8.048
  232    H    PHE  40           HN       PHE  40   4.223  -7.378   4.426
  233    HA   PHE  40           HA       PHE  40   2.433  -5.163   4.141
  234   1HB   PHE  40          HB2       PHE  40   1.407  -7.741   2.989
  235   2HB   PHE  40          HB1       PHE  40   0.681  -6.139   2.910
  236    HD1  PHE  40           HD1      PHE  40   3.382  -8.274   1.602
  237    HD2  PHE  40           HD2      PHE  40   1.321  -4.568   1.248
  238    HE1  PHE  40           HE1      PHE  40   4.490  -7.861  -0.547
  239    HE2  PHE  40           HE2      PHE  40   2.427  -4.157  -0.903
  240    HZ   PHE  40           HZ       PHE  40   4.013  -5.806  -1.808
  241    H    MET  41           HN       MET  41   0.987  -5.050   5.737
  242    HA   MET  41           HA       MET  41   1.322  -6.419   8.084
  243   1HB   MET  41          HB2       MET  41  -0.522  -4.485   7.030
  244   2HB   MET  41          HB1       MET  41  -1.388  -5.645   8.029
  245   1HG   MET  41          HG2       MET  41  -0.753  -3.868   9.441
  246   2HG   MET  41          HG1       MET  41   0.311  -5.221   9.823
  247   1HE   MET  41          HE1       MET  41   2.199  -3.401  11.039
  248   2HE   MET  41          HE2       MET  41   0.752  -2.425  10.790
  249   3HE   MET  41          HE3       MET  41   2.327  -1.812  10.286
  250    H    LYS  42           HN       LYS  42  -1.771  -6.709   6.408
  251    HA   LYS  42           HA       LYS  42  -2.828  -8.664   5.640
  252   1HB   LYS  42          HB2       LYS  42  -1.129 -10.212   7.599
  253   2HB   LYS  42          HB1       LYS  42  -2.183 -10.869   6.356
  254   1HG   LYS  42          HG2       LYS  42  -0.053  -9.058   5.422
  255   2HG   LYS  42          HG1       LYS  42   0.465 -10.617   6.068
  256   1HD   LYS  42          HD2       LYS  42  -1.397 -11.578   4.531
  257   2HD   LYS  42          HD1       LYS  42  -1.268 -10.027   3.699
  258   1HE   LYS  42          HE2       LYS  42   0.802 -10.483   2.879
  259   2HE   LYS  42          HE1       LYS  42   1.260 -11.454   4.278
  260   1HZ   LYS  42          HZ1       LYS  42  -0.546 -13.051   3.292
  261   2HZ   LYS  42          HZ2       LYS  42   1.040 -13.066   2.705
  262   3HZ   LYS  42          HZ3       LYS  42  -0.169 -12.251   1.849
  263    H    GLU  43           HN       GLU  43  -3.598  -6.782   7.491
  264    HA   GLU  43           HA       GLU  43  -5.612  -8.233   8.918
  265   1HB   GLU  43          HB2       GLU  43  -3.653  -8.378  10.457
  266   2HB   GLU  43          HB1       GLU  43  -3.643  -6.622  10.541
  267   1HG   GLU  43          HG2       GLU  43  -5.532  -6.530  11.821
  268   2HG   GLU  43          HG1       GLU  43  -6.160  -8.055  11.198
  269    H    GLY  44           HN       GLY  44  -6.906  -6.949   7.567
  270   1HA   GLY  44          HA2       GLY  44  -7.892  -4.993   6.795
  271   2HA   GLY  44          HA1       GLY  44  -8.260  -4.891   8.504
  272    H    THR  45           HN       THR  45  -5.310  -4.294   6.511
  273    HA   THR  45           HA       THR  45  -4.994  -1.843   8.092
  274    HB   THR  45           HB       THR  45  -3.017  -2.627   6.008
  275    HG1  THR  45           HG1      THR  45  -3.769  -4.216   8.113
  276   1HG2  THR  45          HG21      THR  45  -2.821  -1.526   8.792
  277   2HG2  THR  45          HG22      THR  45  -2.498  -0.683   7.277
  278   3HG2  THR  45          HG23      THR  45  -1.433  -1.986   7.805
  279    H    ILE  46           HN       ILE  46  -3.389  -0.956   5.462
  280    HA   ILE  46           HA       ILE  46  -5.783   0.104   4.141
  281    HB   ILE  46           HB       ILE  46  -3.672   1.541   5.435
  282   1HG1  ILE  46          HG12      ILE  46  -5.321   3.407   4.284
  283   2HG1  ILE  46          HG11      ILE  46  -6.344   1.974   4.322
  284   1HG2  ILE  46          HG21      ILE  46  -3.404   3.245   3.496
  285   2HG2  ILE  46          HG22      ILE  46  -3.726   1.851   2.467
  286   3HG2  ILE  46          HG23      ILE  46  -2.352   1.832   3.570
  287   1HD1  ILE  46          HD11      ILE  46  -6.322   3.625   6.324
  288   2HD1  ILE  46          HD12      ILE  46  -4.844   2.770   6.769
  289   3HD1  ILE  46          HD13      ILE  46  -6.363   1.886   6.615
  290    H    CYS  47           HN       CYS  47  -5.894  -1.214   2.389
  291    HA   CYS  47           HA       CYS  47  -3.492  -1.763   0.863
  292   1HB   CYS  47          HB2       CYS  47  -5.207  -3.520   1.316
  293   2HB   CYS  47          HB1       CYS  47  -6.251  -2.674   0.176
  294    H    ARG  48           HN       ARG  48  -5.214   0.822   1.057
  295    HA   ARG  48           HA       ARG  48  -6.419   1.993  -0.790
  296   1HB   ARG  48          HB2       ARG  48  -3.524   2.781  -0.647
  297   2HB   ARG  48          HB1       ARG  48  -4.881   3.816  -1.048
  298   1HG   ARG  48          HG2       ARG  48  -5.251   2.582   1.530
  299   2HG   ARG  48          HG1       ARG  48  -3.725   3.460   1.450
  300   1HD   ARG  48          HD2       ARG  48  -6.031   4.860   0.284
  301   2HD   ARG  48          HD1       ARG  48  -6.134   4.583   2.022
  302    HE   ARG  48           HE       ARG  48  -3.692   5.607   1.824
  303   1HH1  ARG  48          HH11      ARG  48  -6.685   6.615   0.357
  304   2HH1  ARG  48          HH12      ARG  48  -6.245   8.289   0.302
  305   1HH2  ARG  48          HH21      ARG  48  -3.103   7.810   1.757
  306   2HH2  ARG  48          HH22      ARG  48  -4.209   8.969   1.098
  307    H    ARG  49           HN       ARG  49  -6.978   1.225  -2.737
  308    HA   ARG  49           HA       ARG  49  -5.095   0.057  -4.545
  309   1HB   ARG  49          HB2       ARG  49  -7.796   1.025  -5.406
  310   2HB   ARG  49          HB1       ARG  49  -6.912  -0.403  -5.923
  311   1HG   ARG  49          HG2       ARG  49  -7.252  -1.119  -3.416
  312   2HG   ARG  49          HG1       ARG  49  -8.600   0.016  -3.515
  313   1HD   ARG  49          HD2       ARG  49  -8.119  -2.421  -5.218
  314   2HD   ARG  49          HD1       ARG  49  -9.426  -2.158  -4.064
  315    HE   ARG  49           HE       ARG  49  -9.371  -1.336  -6.776
  316   1HH1  ARG  49          HH11      ARG  49 -10.448  -0.345  -3.617
  317   2HH1  ARG  49          HH12      ARG  49 -11.750   0.623  -4.221
  318   1HH2  ARG  49          HH21      ARG  49 -11.083  -0.063  -7.584
  319   2HH2  ARG  49          HH22      ARG  49 -12.112   0.783  -6.477
  320    H    ALA  50           HN       ALA  50  -5.592   3.199  -3.701
  321    HA   ALA  50           HA       ALA  50  -4.076   4.206  -5.891
  322   1HB   ALA  50          HB1       ALA  50  -5.605   5.164  -7.219
  323   2HB   ALA  50          HB2       ALA  50  -6.591   5.697  -5.858
  324   3HB   ALA  50          HB3       ALA  50  -6.742   4.048  -6.464
  325    H    ARG  51           HN       ARG  51  -4.491   6.861  -5.765
  326    HA   ARG  51           HA       ARG  51  -4.151   7.501  -2.918
  327   1HB   ARG  51          HB2       ARG  51  -2.030   7.711  -4.011
  328   2HB   ARG  51          HB1       ARG  51  -2.741   8.609  -5.345
  329   1HG   ARG  51          HG2       ARG  51  -3.386  10.333  -3.553
  330   2HG   ARG  51          HG1       ARG  51  -2.192   9.507  -2.553
  331   1HD   ARG  51          HD2       ARG  51  -1.823  11.178  -4.976
  332   2HD   ARG  51          HD1       ARG  51  -0.849  11.084  -3.509
  333    HE   ARG  51           HE       ARG  51  -0.482   8.671  -4.736
  334   1HH1  ARG  51          HH11      ARG  51  -0.070  12.001  -5.664
  335   2HH1  ARG  51          HH12      ARG  51   1.232  11.671  -6.757
  336   1HH2  ARG  51          HH21      ARG  51   1.233   8.224  -6.172
  337   2HH2  ARG  51          HH22      ARG  51   1.973   9.523  -7.047
  338    H    GLY  52           HN       GLY  52  -4.159   9.876  -5.476
  339   1HA   GLY  52          HA2       GLY  52  -5.403  11.864  -5.467
  340   2HA   GLY  52          HA1       GLY  52  -6.598  10.695  -6.005
  341    H    ASP  53           HN       ASP  53  -8.336  10.293  -4.767
  342    HA   ASP  53           HA       ASP  53  -8.367  11.054  -1.967
  343   1HB   ASP  53          HB2       ASP  53  -9.371  12.810  -3.965
  344   2HB   ASP  53          HB1       ASP  53 -10.756  12.143  -3.105
  345    H    ASP  54           HN       ASP  54  -8.772   8.706  -3.908
  346    HA   ASP  54           HA       ASP  54 -10.846   7.441  -2.385
  347   1HB   ASP  54          HB2       ASP  54 -11.319   7.893  -5.340
  348   2HB   ASP  54          HB1       ASP  54 -12.323   6.913  -4.276
  349    H    LEU  55           HN       LEU  55 -11.423   5.299  -4.002
  350    HA   LEU  55           HA       LEU  55 -10.633   3.298  -4.737
  351   1HB   LEU  55          HB2       LEU  55  -8.305   5.035  -5.527
  352   2HB   LEU  55          HB1       LEU  55  -8.346   3.312  -5.850
  353    HG   LEU  55           HG       LEU  55 -10.744   4.156  -6.894
  354   1HD1  LEU  55          HD11      LEU  55 -10.222   6.488  -6.606
  355   2HD1  LEU  55          HD12      LEU  55 -10.161   6.088  -8.322
  356   3HD1  LEU  55          HD13      LEU  55  -8.665   6.277  -7.407
  357   1HD2  LEU  55          HD21      LEU  55  -9.680   2.715  -8.265
  358   2HD2  LEU  55          HD22      LEU  55  -8.089   3.395  -7.925
  359   3HD2  LEU  55          HD23      LEU  55  -9.164   4.196  -9.071
  360    H    ASP  56           HN       ASP  56 -10.217   4.218  -1.992
  361    HA   ASP  56           HA       ASP  56  -7.674   3.308  -1.077
  362   1HB   ASP  56          HB2       ASP  56 -10.205   3.559   0.550
  363   2HB   ASP  56          HB1       ASP  56  -8.546   3.607   1.137
  364    H    ASP  57           HN       ASP  57  -8.338   1.685   1.089
  365    HA   ASP  57           HA       ASP  57  -9.935  -0.473   0.805
  366   1HB   ASP  57          HB2       ASP  57  -7.918  -0.503  -1.268
  367   2HB   ASP  57          HB1       ASP  57  -7.803  -1.933  -0.252
  368    H    TYR  58           HN       TYR  58  -9.017  -2.550   1.802
  369    HA   TYR  58           HA       TYR  58  -7.183  -1.796   3.972
  370   1HB   TYR  58          HB2       TYR  58  -9.590  -3.577   3.908
  371   2HB   TYR  58          HB1       TYR  58  -8.342  -3.832   5.123
  372    HD1  TYR  58           HD1      TYR  58  -9.385  -3.189   7.115
  373    HD2  TYR  58           HD2      TYR  58  -9.581  -0.617   3.732
  374    HE1  TYR  58           HE1      TYR  58 -10.393  -1.434   8.514
  375    HE2  TYR  58           HE2      TYR  58 -10.590   1.145   5.120
  376    HH   TYR  58           HH       TYR  58 -10.833   1.807   7.366
  377    H    CYS  59           HN       CYS  59  -5.784  -3.387   4.840
  378    HA   CYS  59           HA       CYS  59  -4.679  -5.156   2.796
  379   1HB   CYS  59          HB2       CYS  59  -3.628  -4.184   5.433
  380   2HB   CYS  59          HB1       CYS  59  -2.741  -5.253   4.386
  381    H    ASN  60           HN       ASN  60  -5.111  -7.263   2.822
  382    HA   ASN  60           HA       ASN  60  -5.388  -8.666   5.367
  383   1HB   ASN  60          HB2       ASN  60  -7.155  -9.275   2.998
  384   2HB   ASN  60          HB1       ASN  60  -7.282  -9.926   4.630
  385   1HD2  ASN  60          HD21      ASN  60  -6.691  -7.337   5.831
  386   2HD2  ASN  60          HD22      ASN  60  -8.121  -6.389   5.663
  387    H    GLY  61           HN       GLY  61  -5.711  -9.696   2.035
  388   1HA   GLY  61          HA2       GLY  61  -3.434 -11.523   2.403
  389   2HA   GLY  61          HA1       GLY  61  -4.651 -11.644   1.128
  390    H    ILE  62           HN       ILE  62  -3.349  -8.629   2.078
  391    HA   ILE  62           HA       ILE  62  -2.584  -7.866  -0.508
  392    HB   ILE  62           HB       ILE  62  -1.617  -5.859   0.693
  393   1HG1  ILE  62          HG12      ILE  62  -1.602  -5.664   2.944
  394   2HG1  ILE  62          HG11      ILE  62  -3.148  -6.473   3.108
  395   1HG2  ILE  62          HG21      ILE  62  -3.902  -6.047  -0.230
  396   2HG2  ILE  62          HG22      ILE  62  -3.803  -4.972   1.162
  397   3HG2  ILE  62          HG23      ILE  62  -4.455  -6.592   1.342
  398   1HD1  ILE  62          HD11      ILE  62  -0.481  -7.445   3.590
  399   2HD1  ILE  62          HD12      ILE  62  -1.396  -8.533   2.562
  400   3HD1  ILE  62          HD13      ILE  62  -2.031  -8.067   4.126
  401    H    SER  63           HN       SER  63  -0.965  -9.094  -1.395
  402    HA   SER  63           HA       SER  63   1.595  -9.153   0.032
  403   1HB   SER  63          HB2       SER  63   2.216 -10.988  -1.288
  404   2HB   SER  63          HB1       SER  63   0.503 -11.259  -0.971
  405    HG   SER  63           HG       SER  63   0.134 -11.110  -3.029
  406    H    ALA  64           HN       ALA  64   0.057  -7.112  -1.894
  407    HA   ALA  64           HA       ALA  64   1.885  -5.336  -2.531
  408   1HB   ALA  64          HB1       ALA  64   3.425  -6.772  -3.557
  409   2HB   ALA  64          HB2       ALA  64   2.647  -5.912  -4.886
  410   3HB   ALA  64          HB3       ALA  64   2.175  -7.570  -4.511
  411    H    GLY  65           HN       GLY  65  -0.845  -7.122  -3.534
  412   1HA   GLY  65          HA2       GLY  65  -1.726  -4.917  -5.282
  413   2HA   GLY  65          HA1       GLY  65  -2.357  -6.557  -5.337
  414    H    CYS  66           HN       CYS  66  -4.049  -7.088  -4.100
  415    HA   CYS  66           HA       CYS  66  -4.864  -5.871  -1.732
  416   1HB   CYS  66          HB2       CYS  66  -6.143  -4.799  -4.211
  417   2HB   CYS  66          HB1       CYS  66  -7.101  -4.962  -2.746
  418    HA   PRO  67           HA       PRO  67  -7.125  -9.558  -1.156
  419   1HB   PRO  67          HB2       PRO  67  -9.432  -8.446  -0.012
  420   2HB   PRO  67          HB1       PRO  67  -7.983  -8.956   0.858
  421   1HG   PRO  67          HG2       PRO  67  -8.785  -6.228  -0.055
  422   2HG   PRO  67          HG1       PRO  67  -7.951  -6.716   1.433
  423   1HD   PRO  67          HD2       PRO  67  -6.603  -5.593  -0.567
  424   2HD   PRO  67          HD1       PRO  67  -5.904  -6.938   0.356
  425    H    ARG  68           HN       ARG  68  -9.870  -9.903  -1.168
  426    HA   ARG  68           HA       ARG  68 -10.429  -9.653  -4.017
  427   1HB   ARG  68          HB2       ARG  68 -11.941 -11.168  -1.883
  428   2HB   ARG  68          HB1       ARG  68 -12.206 -11.277  -3.618
  429   1HG   ARG  68          HG2       ARG  68  -9.959 -12.201  -3.902
  430   2HG   ARG  68          HG1       ARG  68  -9.703 -12.099  -2.159
  431   1HD   ARG  68          HD2       ARG  68 -10.400 -14.361  -3.095
  432   2HD   ARG  68          HD1       ARG  68 -11.310 -13.749  -1.714
  433    HE   ARG  68           HE       ARG  68 -12.271 -14.098  -4.428
  434   1HH1  ARG  68          HH11      ARG  68 -12.812 -12.714  -1.278
  435   2HH1  ARG  68          HH12      ARG  68 -14.520 -12.535  -1.507
  436   1HH2  ARG  68          HH21      ARG  68 -14.519 -13.866  -4.740
  437   2HH2  ARG  68          HH22      ARG  68 -15.490 -13.191  -3.475
  438    H    ASN  69           HN       ASN  69 -11.933  -8.852  -0.904
  439    HA   ASN  69           HA       ASN  69 -14.013  -7.333  -2.271
  440   1HB   ASN  69          HB2       ASN  69 -13.592  -8.057   0.630
  441   2HB   ASN  69          HB1       ASN  69 -14.897  -7.014   0.074
  442   1HD2  ASN  69          HD21      ASN  69 -16.022  -8.864   1.236
  443   2HD2  ASN  69          HD22      ASN  69 -16.525 -10.188   0.247
  444    HA   PRO  70           HA       PRO  70 -11.896  -3.490  -1.718
  445   1HB   PRO  70          HB2       PRO  70 -13.964  -1.808  -2.141
  446   2HB   PRO  70          HB1       PRO  70 -13.228  -2.745  -3.446
  447   1HG   PRO  70          HG2       PRO  70 -15.736  -3.290  -1.906
  448   2HG   PRO  70          HG1       PRO  70 -15.440  -3.434  -3.648
  449   1HD   PRO  70          HD2       PRO  70 -15.420  -5.565  -1.954
  450   2HD   PRO  70          HD1       PRO  70 -14.442  -5.494  -3.433
  451    H    PHE  71           HN       PHE  71 -11.855  -1.605  -0.329
  452    HA   PHE  71           HA       PHE  71 -13.633  -1.694   1.993
  453   1HB   PHE  71          HB2       PHE  71 -10.615  -1.657   2.196
  454   2HB   PHE  71          HB1       PHE  71 -11.732  -1.496   3.547
  455    HD1  PHE  71           HD1      PHE  71 -12.853  -3.394   4.463
  456    HD2  PHE  71           HD2      PHE  71 -10.376  -3.795   1.026
  457    HE1  PHE  71           HE1      PHE  71 -12.896  -5.841   4.723
  458    HE2  PHE  71           HE2      PHE  71 -10.415  -6.243   1.279
  459    HZ   PHE  71           HZ       PHE  71 -11.676  -7.268   3.129
  460    H    HIS  72           HN       HIS  72 -12.629   0.088  -0.441
  461    HA   HIS  72           HA       HIS  72 -11.705   2.483   0.761
  462   1HB   HIS  72          HB2       HIS  72 -11.231   2.292  -1.528
  463   2HB   HIS  72          HB1       HIS  72 -12.878   1.812  -1.923
  464    HD1  HIS  72           HD1      HIS  72 -13.771   3.605  -3.379
  465    HD2  HIS  72           HD2      HIS  72 -11.662   5.140  -0.145
  466    HE1  HIS  72           HE1      HIS  72 -14.041   6.101  -3.524
  467    HE2  HIS  72           HE2      HIS  72 -12.830   7.002  -1.507
  468    H    ALA  73           HN       ALA  73 -14.893   1.661  -0.617
  469    HA   ALA  73           HA       ALA  73 -16.361   2.793   1.500
  470   1HB   ALA  73          HB1       ALA  73 -17.304   4.719   0.009
  471   2HB   ALA  73          HB2       ALA  73 -15.740   4.594  -0.797
  472   3HB   ALA  73          HB3       ALA  73 -15.817   4.955   0.927
  Start of MODEL   13
    1   1H    GLU   1           HT1      GLU   1  -9.546  10.151   8.467
    2   2H    GLU   1           HT2      GLU   1  -9.173  11.823   8.369
    3   3H    GLU   1           HT3      GLU   1  -8.023  10.655   7.863
    4    HA   GLU   1           HA       GLU   1 -10.654  10.733   6.618
    5   1HB   GLU   1          HB2       GLU   1  -9.295  12.264   4.918
    6   2HB   GLU   1          HB1       GLU   1 -10.220  12.951   6.246
    7   1HG   GLU   1          HG2       GLU   1  -7.453  12.256   6.912
    8   2HG   GLU   1          HG1       GLU   1  -7.630  13.523   5.699
    9    H    ALA   2           HN       ALA   2  -7.362  11.084   5.376
   10    HA   ALA   2           HA       ALA   2  -7.734   8.828   3.627
   11   1HB   ALA   2          HB1       ALA   2  -5.568   9.406   2.719
   12   2HB   ALA   2          HB2       ALA   2  -5.268  10.507   4.064
   13   3HB   ALA   2          HB3       ALA   2  -6.546  10.863   2.902
   14    H    GLY   3           HN       GLY   3  -5.714   7.313   3.411
   15   1HA   GLY   3          HA2       GLY   3  -5.554   5.872   5.900
   16   2HA   GLY   3          HA1       GLY   3  -4.846   5.390   4.367
   17    H    GLU   4           HN       GLU   4  -2.757   6.062   3.837
   18    HA   GLU   4           HA       GLU   4  -1.248   7.257   6.069
   19   1HB   GLU   4          HB2       GLU   4  -0.573   4.979   4.236
   20   2HB   GLU   4          HB1       GLU   4   0.708   5.923   4.983
   21   1HG   GLU   4          HG2       GLU   4  -0.545   5.426   7.189
   22   2HG   GLU   4          HG1       GLU   4  -1.315   4.140   6.263
   23    H    GLU   5           HN       GLU   5   0.985   8.065   5.209
   24    HA   GLU   5           HA       GLU   5   0.441   9.697   2.819
   25   1HB   GLU   5          HB2       GLU   5   2.492  10.384   4.906
   26   2HB   GLU   5          HB1       GLU   5   1.704  11.446   3.746
   27   1HG   GLU   5          HG2       GLU   5  -0.320  10.323   5.363
   28   2HG   GLU   5          HG1       GLU   5   0.972  10.866   6.432
   29    H    CYS   6           HN       CYS   6   1.715   9.469   1.094
   30    HA   CYS   6           HA       CYS   6   4.445   8.527   1.369
   31   1HB   CYS   6          HB2       CYS   6   3.118   6.443   1.217
   32   2HB   CYS   6          HB1       CYS   6   2.444   7.003  -0.310
   33    H    ASP   7           HN       ASP   7   5.686   8.756  -0.587
   34    HA   ASP   7           HA       ASP   7   4.448  10.597  -2.526
   35   1HB   ASP   7          HB2       ASP   7   7.157  10.684  -1.223
   36   2HB   ASP   7          HB1       ASP   7   6.868  11.480  -2.767
   37    H    CYS   8           HN       CYS   8   6.292   7.738  -2.010
   38    HA   CYS   8           HA       CYS   8   7.237   7.597  -4.755
   39   1HB   CYS   8          HB2       CYS   8   7.446   5.697  -2.440
   40   2HB   CYS   8          HB1       CYS   8   8.089   5.376  -4.039
   41    H    GLY   9           HN       GLY   9   4.305   7.088  -3.414
   42   1HA   GLY   9          HA2       GLY   9   2.494   6.179  -4.658
   43   2HA   GLY   9          HA1       GLY   9   3.623   5.061  -5.416
   44    H    SER  10           HN       SER  10   1.846   3.517  -4.763
   45    HA   SER  10           HA       SER  10   2.682   2.309  -2.306
   46   1HB   SER  10          HB2       SER  10  -0.003   3.566  -2.577
   47   2HB   SER  10          HB1       SER  10   0.184   2.124  -1.579
   48    HG   SER  10           HG       SER  10   2.137   3.575  -0.825
   49    HA   PRO  11           HA       PRO  11   0.020  -1.036  -4.247
   50   1HB   PRO  11          HB2       PRO  11  -2.026  -0.450  -5.883
   51   2HB   PRO  11          HB1       PRO  11  -2.182  -0.374  -4.124
   52   1HG   PRO  11          HG2       PRO  11  -1.713   1.853  -6.077
   53   2HG   PRO  11          HG1       PRO  11  -2.839   1.789  -4.707
   54   1HD   PRO  11          HD2       PRO  11  -0.419   3.022  -4.565
   55   2HD   PRO  11          HD1       PRO  11  -1.187   2.245  -3.166
   56    H    GLY  12           HN       GLY  12   1.849  -1.546  -5.410
   57   1HA   GLY  12          HA2       GLY  12   2.502  -2.350  -7.594
   58   2HA   GLY  12          HA1       GLY  12   1.710  -0.942  -8.297
   59    H    ASN  13           HN       ASN  13   2.775   0.761  -6.149
   60    HA   ASN  13           HA       ASN  13   5.594   0.922  -6.980
   61   1HB   ASN  13          HB2       ASN  13   3.654   3.200  -6.501
   62   2HB   ASN  13          HB1       ASN  13   5.382   3.398  -6.777
   63   1HD2  ASN  13          HD21      ASN  13   4.960   4.654  -8.610
   64   2HD2  ASN  13          HD22      ASN  13   4.449   3.941 -10.098
   65    HA   PRO  14           HA       PRO  14   4.800  -0.083  -2.355
   66   1HB   PRO  14          HB2       PRO  14   7.593  -0.850  -2.707
   67   2HB   PRO  14          HB1       PRO  14   6.221  -1.841  -2.211
   68   1HG   PRO  14          HG2       PRO  14   7.397  -1.482  -4.884
   69   2HG   PRO  14          HG1       PRO  14   6.350  -2.781  -4.291
   70   1HD   PRO  14          HD2       PRO  14   5.452  -0.979  -6.058
   71   2HD   PRO  14          HD1       PRO  14   4.399  -1.578  -4.753
   72    H    CYS  15           HN       CYS  15   4.678   2.214  -1.959
   73    HA   CYS  15           HA       CYS  15   5.734   4.365  -1.780
   74   1HB   CYS  15          HB2       CYS  15   4.955   3.035   0.379
   75   2HB   CYS  15          HB1       CYS  15   6.674   3.080   0.748
   76    H    CYS  16           HN       CYS  16   7.436   3.596  -3.481
   77    HA   CYS  16           HA       CYS  16   9.581   4.519  -3.909
   78   1HB   CYS  16          HB2       CYS  16  10.341   3.439  -1.202
   79   2HB   CYS  16          HB1       CYS  16  11.450   4.193  -2.332
   80    H    ASP  17           HN       ASP  17  10.711   3.492  -5.352
   81    HA   ASP  17           HA       ASP  17  11.571   0.760  -4.984
   82   1HB   ASP  17          HB2       ASP  17  10.476   0.031  -7.152
   83   2HB   ASP  17          HB1       ASP  17   9.393   0.247  -5.780
   84    H    ALA  18           HN       ALA  18  11.417   3.656  -6.979
   85    HA   ALA  18           HA       ALA  18  13.126   4.682  -8.125
   86   1HB   ALA  18          HB1       ALA  18  14.551   2.892  -6.667
   87   2HB   ALA  18          HB2       ALA  18  15.251   4.019  -7.829
   88   3HB   ALA  18          HB3       ALA  18  14.906   2.357  -8.309
   89    H    ALA  19           HN       ALA  19  12.337   1.349  -8.864
   90    HA   ALA  19           HA       ALA  19  11.497   1.945 -11.493
   91   1HB   ALA  19          HB1       ALA  19  14.139   0.524 -11.205
   92   2HB   ALA  19          HB2       ALA  19  13.849   2.081 -11.981
   93   3HB   ALA  19          HB3       ALA  19  13.200   0.605 -12.695
   94    H    THR  20           HN       THR  20  12.500  -0.409  -9.088
   95    HA   THR  20           HA       THR  20  10.275  -2.121  -9.914
   96    HB   THR  20           HB       THR  20  11.732  -3.575 -10.829
   97    HG1  THR  20           HG1      THR  20  11.313  -4.700  -8.949
   98   1HG2  THR  20          HG21      THR  20  13.795  -1.926  -9.497
   99   2HG2  THR  20          HG22      THR  20  13.659  -2.443 -11.178
  100   3HG2  THR  20          HG23      THR  20  14.225  -3.575  -9.950
  101    H    CYS  21           HN       CYS  21   9.173  -2.984  -8.235
  102    HA   CYS  21           HA       CYS  21   9.060  -1.972  -5.780
  103   1HB   CYS  21          HB2       CYS  21   8.790  -4.927  -6.380
  104   2HB   CYS  21          HB1       CYS  21   8.139  -4.112  -4.962
  105    H    LYS  22           HN       LYS  22  10.952  -1.338  -4.821
  106    HA   LYS  22           HA       LYS  22  12.275  -3.220  -3.166
  107   1HB   LYS  22          HB2       LYS  22  13.346  -3.665  -5.413
  108   2HB   LYS  22          HB1       LYS  22  14.015  -2.041  -5.328
  109   1HG   LYS  22          HG2       LYS  22  15.152  -2.660  -3.224
  110   2HG   LYS  22          HG1       LYS  22  14.547  -4.306  -3.418
  111   1HD   LYS  22          HD2       LYS  22  16.793  -4.237  -4.245
  112   2HD   LYS  22          HD1       LYS  22  15.707  -4.393  -5.627
  113   1HE   LYS  22          HE2       LYS  22  17.009  -2.720  -6.430
  114   2HE   LYS  22          HE1       LYS  22  15.866  -1.731  -5.522
  115   1HZ   LYS  22          HZ1       LYS  22  18.210  -1.148  -5.113
  116   2HZ   LYS  22          HZ2       LYS  22  18.469  -2.687  -4.460
  117   3HZ   LYS  22          HZ3       LYS  22  17.400  -1.617  -3.703
  118    H    LEU  23           HN       LEU  23  12.307  -1.999  -1.383
  119    HA   LEU  23           HA       LEU  23  13.804   0.486  -1.422
  120   1HB   LEU  23          HB2       LEU  23  12.095   1.821  -0.392
  121   2HB   LEU  23          HB1       LEU  23  11.487   1.173  -1.901
  122    HG   LEU  23           HG       LEU  23  10.851  -0.063   0.772
  123   1HD1  LEU  23          HD11      LEU  23  10.135   2.412   0.340
  124   2HD1  LEU  23          HD12      LEU  23   8.990   1.252   1.007
  125   3HD1  LEU  23          HD13      LEU  23   8.928   1.664  -0.705
  126   1HD2  LEU  23          HD21      LEU  23   9.661  -0.315  -1.985
  127   2HD2  LEU  23          HD22      LEU  23   8.939  -0.988  -0.523
  128   3HD2  LEU  23          HD23      LEU  23  10.514  -1.559  -1.073
  129    H    ARG  24           HN       ARG  24  14.663   1.066   0.559
  130    HA   ARG  24           HA       ARG  24  14.704  -1.069   2.529
  131   1HB   ARG  24          HB2       ARG  24  16.302   1.487   2.311
  132   2HB   ARG  24          HB1       ARG  24  16.526   0.278   3.568
  133   1HG   ARG  24          HG2       ARG  24  17.757  -1.017   2.243
  134   2HG   ARG  24          HG1       ARG  24  16.623  -0.863   0.899
  135   1HD   ARG  24          HD2       ARG  24  18.937   0.038   0.480
  136   2HD   ARG  24          HD1       ARG  24  17.614   1.164   0.177
  137    HE   ARG  24           HE       ARG  24  18.473   2.513   1.800
  138   1HH1  ARG  24          HH11      ARG  24  19.686  -0.715   2.287
  139   2HH1  ARG  24          HH12      ARG  24  20.741  -0.262   3.584
  140   1HH2  ARG  24          HH21      ARG  24  19.859   3.121   3.507
  141   2HH2  ARG  24          HH22      ARG  24  20.839   1.918   4.278
  142    H    GLN  25           HN       GLN  25  12.896   1.663   1.994
  143    HA   GLN  25           HA       GLN  25  12.622   2.468   4.761
  144   1HB   GLN  25          HB2       GLN  25  12.441   4.264   3.240
  145   2HB   GLN  25          HB1       GLN  25  11.351   3.370   2.189
  146   1HG   GLN  25          HG2       GLN  25   9.593   3.514   3.858
  147   2HG   GLN  25          HG1       GLN  25  10.684   4.365   4.950
  148   1HE2  GLN  25          HE21      GLN  25  11.848   6.245   3.584
  149   2HE2  GLN  25          HE22      GLN  25  10.723   7.317   2.830
  150    H    GLY  26           HN       GLY  26  11.282   0.170   2.687
  151   1HA   GLY  26          HA2       GLY  26   9.654  -1.412   3.003
  152   2HA   GLY  26          HA1       GLY  26   9.599  -0.909   4.684
  153    H    ALA  27           HN       ALA  27   8.224  -0.525   1.522
  154    HA   ALA  27           HA       ALA  27   6.296   1.452   2.349
  155   1HB   ALA  27          HB1       ALA  27   7.242   1.480   0.091
  156   2HB   ALA  27          HB2       ALA  27   5.490   1.281   0.050
  157   3HB   ALA  27          HB3       ALA  27   6.542  -0.105  -0.221
  158    H    GLN  28           HN       GLN  28   6.199  -1.019   3.845
  159    HA   GLN  28           HA       GLN  28   4.216  -2.791   2.941
  160   1HB   GLN  28          HB2       GLN  28   4.492  -2.245   5.854
  161   2HB   GLN  28          HB1       GLN  28   4.318  -3.777   5.012
  162   1HG   GLN  28          HG2       GLN  28   6.472  -4.002   5.502
  163   2HG   GLN  28          HG1       GLN  28   6.706  -2.993   4.076
  164   1HE2  GLN  28          HE21      GLN  28   5.550  -0.674   5.564
  165   2HE2  GLN  28          HE22      GLN  28   6.830  -0.119   6.582
  166    H    CYS  29           HN       CYS  29   2.334  -1.934   2.235
  167    HA   CYS  29           HA       CYS  29   0.297  -0.906   2.264
  168   1HB   CYS  29          HB2       CYS  29   0.614  -1.635   5.180
  169   2HB   CYS  29          HB1       CYS  29  -0.856  -0.906   4.544
  170    H    ALA  30           HN       ALA  30   2.456   0.785   2.192
  171    HA   ALA  30           HA       ALA  30   2.482   2.811   4.139
  172   1HB   ALA  30          HB1       ALA  30   3.906   3.969   2.741
  173   2HB   ALA  30          HB2       ALA  30   3.061   3.454   1.281
  174   3HB   ALA  30          HB3       ALA  30   4.103   2.322   2.144
  175    H    GLU  31           HN       GLU  31   2.071   5.000   1.936
  176    HA   GLU  31           HA       GLU  31  -0.359   6.015   2.688
  177   1HB   GLU  31          HB2       GLU  31   1.156   7.236   1.192
  178   2HB   GLU  31          HB1       GLU  31   0.838   6.081  -0.096
  179   1HG   GLU  31          HG2       GLU  31  -1.654   6.841   0.322
  180   2HG   GLU  31          HG1       GLU  31  -0.856   8.282   0.949
  181    H    GLY  32           HN       GLY  32   0.394   3.428   0.579
  182   1HA   GLY  32          HA2       GLY  32  -2.393   2.583   0.550
  183   2HA   GLY  32          HA1       GLY  32  -1.541   2.709  -0.987
  184    H    LEU  33           HN       LEU  33  -1.210   0.641  -1.593
  185    HA   LEU  33           HA       LEU  33  -0.300  -1.246   0.429
  186   1HB   LEU  33          HB2       LEU  33  -2.080  -1.576  -1.532
  187   2HB   LEU  33          HB1       LEU  33  -0.642  -2.062  -2.405
  188    HG   LEU  33           HG       LEU  33  -2.236  -3.704  -0.893
  189   1HD1  LEU  33          HD11      LEU  33   0.042  -5.112  -0.994
  190   2HD1  LEU  33          HD12      LEU  33   0.422  -3.835  -2.150
  191   3HD1  LEU  33          HD13      LEU  33  -1.000  -4.843  -2.388
  192   1HD2  LEU  33          HD21      LEU  33  -1.342  -2.677   1.178
  193   2HD2  LEU  33          HD22      LEU  33   0.271  -3.205   0.707
  194   3HD2  LEU  33          HD23      LEU  33  -0.983  -4.397   1.042
  195    H    CYS  34           HN       CYS  34   1.296  -2.991  -0.816
  196    HA   CYS  34           HA       CYS  34   3.462  -1.551  -2.131
  197   1HB   CYS  34          HB2       CYS  34   4.774  -1.572  -0.308
  198   2HB   CYS  34          HB1       CYS  34   3.564  -2.459   0.604
  199    H    CYS  35           HN       CYS  35   5.075  -3.046  -3.033
  200    HA   CYS  35           HA       CYS  35   3.965  -5.693  -3.572
  201   1HB   CYS  35          HB2       CYS  35   3.465  -5.006  -5.664
  202   2HB   CYS  35          HB1       CYS  35   4.392  -3.525  -5.482
  203    H    ASP  36           HN       ASP  36   6.493  -3.948  -2.428
  204    HA   ASP  36           HA       ASP  36   8.549  -5.818  -3.332
  205   1HB   ASP  36          HB2       ASP  36   9.220  -3.541  -3.565
  206   2HB   ASP  36          HB1       ASP  36   8.670  -3.137  -1.949
  207    H    GLN  37           HN       GLN  37  10.183  -6.419  -1.605
  208    HA   GLN  37           HA       GLN  37   9.207  -8.118   0.235
  209   1HB   GLN  37          HB2       GLN  37  11.676  -6.398   0.496
  210   2HB   GLN  37          HB1       GLN  37  11.326  -7.779   1.527
  211   1HG   GLN  37          HG2       GLN  37  11.160  -9.094  -0.688
  212   2HG   GLN  37          HG1       GLN  37  12.028  -7.722  -1.376
  213   1HE2  GLN  37          HE21      GLN  37  14.170  -7.594  -1.112
  214   2HE2  GLN  37          HE22      GLN  37  15.116  -8.680  -0.158
  215    H    CYS  38           HN       CYS  38   9.164  -4.648   0.491
  216    HA   CYS  38           HA       CYS  38   9.157  -3.729   2.881
  217   1HB   CYS  38          HB2       CYS  38   6.409  -3.268   2.273
  218   2HB   CYS  38          HB1       CYS  38   7.767  -2.177   2.102
  219    H    ARG  39           HN       ARG  39   6.296  -5.630   2.019
  220    HA   ARG  39           HA       ARG  39   5.524  -7.484   3.327
  221   1HB   ARG  39          HB2       ARG  39   6.412  -5.839   5.710
  222   2HB   ARG  39          HB1       ARG  39   5.561  -7.370   5.794
  223   1HG   ARG  39          HG2       ARG  39   7.798  -7.825   4.168
  224   2HG   ARG  39          HG1       ARG  39   8.366  -6.875   5.543
  225   1HD   ARG  39          HD2       ARG  39   7.117  -9.584   5.488
  226   2HD   ARG  39          HD1       ARG  39   8.555  -9.029   6.344
  227    HE   ARG  39           HE       ARG  39   6.628  -7.649   7.579
  228   1HH1  ARG  39          HH11      ARG  39   6.862 -11.017   6.727
  229   2HH1  ARG  39          HH12      ARG  39   5.901 -11.556   8.063
  230   1HH2  ARG  39          HH21      ARG  39   5.361  -8.346   9.343
  231   2HH2  ARG  39          HH22      ARG  39   5.047 -10.037   9.551
  232    H    PHE  40           HN       PHE  40   3.710  -7.179   5.355
  233    HA   PHE  40           HA       PHE  40   2.207  -4.751   4.984
  234   1HB   PHE  40          HB2       PHE  40   0.887  -7.280   4.018
  235   2HB   PHE  40          HB1       PHE  40   0.368  -5.610   3.777
  236    HD1  PHE  40           HD1      PHE  40   2.760  -8.195   2.742
  237    HD2  PHE  40           HD2      PHE  40   1.332  -4.247   2.045
  238    HE1  PHE  40           HE1      PHE  40   4.053  -8.097   0.675
  239    HE2  PHE  40           HE2      PHE  40   2.611  -4.153  -0.030
  240    HZ   PHE  40           HZ       PHE  40   3.984  -6.076  -0.721
  241    H    MET  41           HN       MET  41   0.722  -4.393   6.540
  242    HA   MET  41           HA       MET  41   0.941  -5.465   9.012
  243   1HB   MET  41          HB2       MET  41  -0.803  -3.651   7.738
  244   2HB   MET  41          HB1       MET  41  -1.822  -4.778   8.622
  245   1HG   MET  41          HG2       MET  41  -1.454  -3.170  10.203
  246   2HG   MET  41          HG1       MET  41  -0.172  -4.320  10.577
  247   1HE   MET  41          HE1       MET  41   0.886  -0.431  11.084
  248   2HE   MET  41          HE2       MET  41   1.126  -1.949  11.949
  249   3HE   MET  41          HE3       MET  41  -0.501  -1.437  11.502
  250    H    LYS  42           HN       LYS  42  -2.128  -6.075   7.379
  251    HA   LYS  42           HA       LYS  42  -2.675  -8.433   6.763
  252   1HB   LYS  42          HB2       LYS  42  -1.048  -9.515   8.194
  253   2HB   LYS  42          HB1       LYS  42  -1.808  -8.839   9.628
  254   1HG   LYS  42          HG2       LYS  42  -2.395 -11.168   9.384
  255   2HG   LYS  42          HG1       LYS  42  -3.824 -10.155   9.169
  256   1HD   LYS  42          HD2       LYS  42  -4.182 -11.172   7.223
  257   2HD   LYS  42          HD1       LYS  42  -2.692 -10.445   6.618
  258   1HE   LYS  42          HE2       LYS  42  -2.915 -13.089   8.053
  259   2HE   LYS  42          HE1       LYS  42  -2.699 -12.874   6.317
  260   1HZ   LYS  42          HZ1       LYS  42  -0.778 -11.835   8.320
  261   2HZ   LYS  42          HZ2       LYS  42  -0.555 -11.977   6.650
  262   3HZ   LYS  42          HZ3       LYS  42  -0.631 -13.365   7.613
  263    H    GLU  43           HN       GLU  43  -3.358  -6.003   8.964
  264    HA   GLU  43           HA       GLU  43  -6.177  -6.824   9.069
  265   1HB   GLU  43          HB2       GLU  43  -5.202  -7.199  11.275
  266   2HB   GLU  43          HB1       GLU  43  -4.587  -5.552  11.304
  267   1HG   GLU  43          HG2       GLU  43  -7.513  -6.195  11.101
  268   2HG   GLU  43          HG1       GLU  43  -6.675  -5.992  12.640
  269    H    GLY  44           HN       GLY  44  -7.513  -5.374   8.268
  270   1HA   GLY  44          HA2       GLY  44  -7.605  -3.419   6.788
  271   2HA   GLY  44          HA1       GLY  44  -8.314  -3.049   8.344
  272    H    THR  45           HN       THR  45  -5.196  -2.964   6.617
  273    HA   THR  45           HA       THR  45  -4.445  -0.662   8.258
  274    HB   THR  45           HB       THR  45  -2.653  -1.791   6.175
  275    HG1  THR  45           HG1      THR  45  -3.611  -3.564   7.402
  276   1HG2  THR  45          HG21      THR  45  -0.959  -1.437   7.955
  277   2HG2  THR  45          HG22      THR  45  -2.228  -0.709   8.941
  278   3HG2  THR  45          HG23      THR  45  -1.763   0.034   7.410
  279    H    ILE  46           HN       ILE  46  -3.947  -1.437   4.866
  280    HA   ILE  46           HA       ILE  46  -5.551   0.348   3.643
  281    HB   ILE  46           HB       ILE  46  -3.646   1.809   5.127
  282   1HG1  ILE  46          HG12      ILE  46  -4.872   3.630   3.480
  283   2HG1  ILE  46          HG11      ILE  46  -5.978   2.262   3.416
  284   1HG2  ILE  46          HG21      ILE  46  -2.727   3.286   3.306
  285   2HG2  ILE  46          HG22      ILE  46  -3.136   2.000   2.171
  286   3HG2  ILE  46          HG23      ILE  46  -1.973   1.699   3.462
  287   1HD1  ILE  46          HD11      ILE  46  -6.282   4.102   5.215
  288   2HD1  ILE  46          HD12      ILE  46  -4.991   3.240   6.052
  289   3HD1  ILE  46          HD13      ILE  46  -6.492   2.406   5.650
  290    H    CYS  47           HN       CYS  47  -5.540  -1.137   2.039
  291    HA   CYS  47           HA       CYS  47  -3.047  -1.717   0.614
  292   1HB   CYS  47          HB2       CYS  47  -3.965  -3.664  -0.022
  293   2HB   CYS  47          HB1       CYS  47  -5.060  -3.366   1.319
  294    H    ARG  48           HN       ARG  48  -4.864   0.770   0.676
  295    HA   ARG  48           HA       ARG  48  -6.239   1.756  -1.136
  296   1HB   ARG  48          HB2       ARG  48  -3.409   2.743  -0.984
  297   2HB   ARG  48          HB1       ARG  48  -4.786   3.668  -1.547
  298   1HG   ARG  48          HG2       ARG  48  -5.250   2.549   1.079
  299   2HG   ARG  48          HG1       ARG  48  -3.818   3.571   1.037
  300   1HD   ARG  48          HD2       ARG  48  -6.520   4.384  -0.011
  301   2HD   ARG  48          HD1       ARG  48  -5.913   4.792   1.592
  302    HE   ARG  48           HE       ARG  48  -5.001   5.875  -0.957
  303   1HH1  ARG  48          HH11      ARG  48  -4.600   5.699   2.505
  304   2HH1  ARG  48          HH12      ARG  48  -3.660   7.150   2.595
  305   1HH2  ARG  48          HH21      ARG  48  -3.763   7.782  -0.841
  306   2HH2  ARG  48          HH22      ARG  48  -3.184   8.332   0.696
  307    H    ARG  49           HN       ARG  49  -6.812   1.568  -3.168
  308    HA   ARG  49           HA       ARG  49  -5.003   0.230  -5.014
  309   1HB   ARG  49          HB2       ARG  49  -6.895  -0.206  -6.369
  310   2HB   ARG  49          HB1       ARG  49  -7.416  -0.457  -4.708
  311   1HG   ARG  49          HG2       ARG  49  -8.829   1.312  -4.734
  312   2HG   ARG  49          HG1       ARG  49  -7.822   2.243  -5.844
  313   1HD   ARG  49          HD2       ARG  49  -9.999   1.488  -6.808
  314   2HD   ARG  49          HD1       ARG  49  -8.579   0.969  -7.715
  315    HE   ARG  49           HE       ARG  49  -9.496  -0.963  -5.794
  316   1HH1  ARG  49          HH11      ARG  49  -9.858   0.246  -9.040
  317   2HH1  ARG  49          HH12      ARG  49 -10.495  -1.240  -9.661
  318   1HH2  ARG  49          HH21      ARG  49 -10.334  -2.926  -6.602
  319   2HH2  ARG  49          HH22      ARG  49 -10.766  -3.044  -8.275
  320    H    ALA  50           HN       ALA  50  -6.012   3.409  -4.317
  321    HA   ALA  50           HA       ALA  50  -4.458   4.430  -6.505
  322   1HB   ALA  50          HB1       ALA  50  -6.615   5.871  -7.161
  323   2HB   ALA  50          HB2       ALA  50  -7.404   4.367  -6.685
  324   3HB   ALA  50          HB3       ALA  50  -6.185   4.359  -7.959
  325    H    ARG  51           HN       ARG  51  -4.923   6.966  -6.635
  326    HA   ARG  51           HA       ARG  51  -5.282   8.007  -3.918
  327   1HB   ARG  51          HB2       ARG  51  -3.136   9.276  -5.499
  328   2HB   ARG  51          HB1       ARG  51  -3.225   8.955  -3.773
  329   1HG   ARG  51          HG2       ARG  51  -1.657   7.421  -4.200
  330   2HG   ARG  51          HG1       ARG  51  -3.008   6.438  -4.768
  331   1HD   ARG  51          HD2       ARG  51  -2.567   6.910  -7.007
  332   2HD   ARG  51          HD1       ARG  51  -1.600   8.331  -6.614
  333    HE   ARG  51           HE       ARG  51  -0.541   5.786  -5.712
  334   1HH1  ARG  51          HH11      ARG  51  -0.556   8.252  -8.170
  335   2HH1  ARG  51          HH12      ARG  51   0.988   7.803  -8.814
  336   1HH2  ARG  51          HH21      ARG  51   1.493   5.186  -6.550
  337   2HH2  ARG  51          HH22      ARG  51   2.153   6.059  -7.893
  338    H    GLY  52           HN       GLY  52  -4.422   9.222  -7.160
  339   1HA   GLY  52          HA2       GLY  52  -5.280  11.695  -7.291
  340   2HA   GLY  52          HA1       GLY  52  -5.741  10.572  -8.558
  341    H    ASP  53           HN       ASP  53  -7.850   9.960  -8.765
  342    HA   ASP  53           HA       ASP  53  -9.740  11.252  -6.913
  343   1HB   ASP  53          HB2       ASP  53  -9.968  10.595  -9.850
  344   2HB   ASP  53          HB1       ASP  53 -11.362  11.030  -8.866
  345    H    ASP  54           HN       ASP  54  -8.862   8.979  -5.911
  346    HA   ASP  54           HA       ASP  54 -11.173   7.224  -6.129
  347   1HB   ASP  54          HB2       ASP  54  -8.367   6.417  -6.813
  348   2HB   ASP  54          HB1       ASP  54  -9.489   5.236  -6.144
  349    H    LEU  55           HN       LEU  55  -8.267   5.965  -4.741
  350    HA   LEU  55           HA       LEU  55  -7.592   5.587  -2.612
  351   1HB   LEU  55          HB2       LEU  55  -9.310   7.997  -2.045
  352   2HB   LEU  55          HB1       LEU  55  -8.259   7.231  -0.865
  353    HG   LEU  55           HG       LEU  55  -7.097   8.151  -3.456
  354   1HD1  LEU  55          HD11      LEU  55  -7.718   9.924  -1.104
  355   2HD1  LEU  55          HD12      LEU  55  -8.374  10.063  -2.736
  356   3HD1  LEU  55          HD13      LEU  55  -6.658  10.351  -2.447
  357   1HD2  LEU  55          HD21      LEU  55  -5.291   8.720  -1.594
  358   2HD2  LEU  55          HD22      LEU  55  -5.454   7.107  -2.289
  359   3HD2  LEU  55          HD23      LEU  55  -6.179   7.469  -0.723
  360    H    ASP  56           HN       ASP  56  -8.540   3.611  -2.421
  361    HA   ASP  56           HA       ASP  56 -10.470   3.279  -0.393
  362   1HB   ASP  56          HB2       ASP  56 -11.358   2.981  -3.249
  363   2HB   ASP  56          HB1       ASP  56 -12.075   1.981  -1.989
  364    H    ASP  57           HN       ASP  57  -9.522   1.603   0.613
  365    HA   ASP  57           HA       ASP  57  -9.435  -0.969  -0.190
  366   1HB   ASP  57          HB2       ASP  57  -7.506   0.573  -1.679
  367   2HB   ASP  57          HB1       ASP  57  -6.717  -0.695  -0.763
  368    H    TYR  58           HN       TYR  58  -8.840  -2.200   1.487
  369    HA   TYR  58           HA       TYR  58  -7.129  -0.997   3.565
  370   1HB   TYR  58          HB2       TYR  58  -9.580  -2.712   3.739
  371   2HB   TYR  58          HB1       TYR  58  -8.403  -2.733   5.048
  372    HD1  TYR  58           HD1      TYR  58 -11.433  -1.627   4.625
  373    HD2  TYR  58           HD2      TYR  58  -7.580   0.095   5.147
  374    HE1  TYR  58           HE1      TYR  58 -12.473   0.390   5.574
  375    HE2  TYR  58           HE2      TYR  58  -8.607   2.119   6.098
  376    HH   TYR  58           HH       TYR  58 -11.054   3.245   5.825
  377    H    CYS  59           HN       CYS  59  -5.832  -2.465   4.847
  378    HA   CYS  59           HA       CYS  59  -4.789  -4.680   3.237
  379   1HB   CYS  59          HB2       CYS  59  -3.660  -3.055   5.477
  380   2HB   CYS  59          HB1       CYS  59  -2.919  -4.562   5.009
  381    H    ASN  60           HN       ASN  60  -5.526  -6.636   3.693
  382    HA   ASN  60           HA       ASN  60  -5.851  -7.428   6.500
  383   1HB   ASN  60          HB2       ASN  60  -7.707  -8.485   4.386
  384   2HB   ASN  60          HB1       ASN  60  -7.921  -8.469   6.133
  385   1HD2  ASN  60          HD21      ASN  60  -7.126  -5.748   6.494
  386   2HD2  ASN  60          HD22      ASN  60  -8.382  -4.754   5.850
  387    H    GLY  61           HN       GLY  61  -6.290  -8.999   3.400
  388   1HA   GLY  61          HA2       GLY  61  -4.258 -10.999   4.145
  389   2HA   GLY  61          HA1       GLY  61  -5.503 -11.221   2.910
  390    H    ILE  62           HN       ILE  62  -3.771  -8.291   3.358
  391    HA   ILE  62           HA       ILE  62  -2.968  -8.120   0.644
  392    HB   ILE  62           HB       ILE  62  -1.768  -6.032   1.499
  393   1HG1  ILE  62          HG12      ILE  62  -1.977  -5.325   3.650
  394   2HG1  ILE  62          HG11      ILE  62  -3.534  -6.100   3.872
  395   1HG2  ILE  62          HG21      ILE  62  -3.762  -4.787   1.449
  396   2HG2  ILE  62          HG22      ILE  62  -4.714  -6.133   2.063
  397   3HG2  ILE  62          HG23      ILE  62  -4.050  -6.195   0.429
  398   1HD1  ILE  62          HD11      ILE  62  -1.851  -8.245   3.815
  399   2HD1  ILE  62          HD12      ILE  62  -2.419  -7.426   5.255
  400   3HD1  ILE  62          HD13      ILE  62  -0.859  -7.007   4.568
  401    H    SER  63           HN       SER  63  -1.454  -9.762   0.202
  402    HA   SER  63           HA       SER  63   1.098  -9.539   1.633
  403   1HB   SER  63          HB2       SER  63   1.698 -11.626   0.414
  404   2HB   SER  63          HB1       SER  63   0.311 -11.805   1.487
  405    HG   SER  63           HG       SER  63   0.458 -11.996  -1.257
  406    H    ALA  64           HN       ALA  64   0.349  -7.464   0.114
  407    HA   ALA  64           HA       ALA  64   1.580  -6.038  -1.212
  408   1HB   ALA  64          HB1       ALA  64   3.411  -6.656  -2.323
  409   2HB   ALA  64          HB2       ALA  64   2.631  -8.044  -3.068
  410   3HB   ALA  64          HB3       ALA  64   3.235  -8.145  -1.413
  411    H    GLY  65           HN       GLY  65  -1.051  -7.163  -1.387
  412   1HA   GLY  65          HA2       GLY  65  -1.643  -6.395  -4.152
  413   2HA   GLY  65          HA1       GLY  65  -2.264  -7.935  -3.568
  414    H    CYS  66           HN       CYS  66  -4.327  -7.818  -2.973
  415    HA   CYS  66           HA       CYS  66  -5.247  -5.945  -1.062
  416   1HB   CYS  66          HB2       CYS  66  -5.866  -5.392  -3.925
  417   2HB   CYS  66          HB1       CYS  66  -7.095  -5.062  -2.711
  418    HA   PRO  67           HA       PRO  67  -7.887  -9.509  -0.581
  419   1HB   PRO  67          HB2       PRO  67  -9.317  -8.513   1.516
  420   2HB   PRO  67          HB1       PRO  67  -7.690  -9.180   1.685
  421   1HG   PRO  67          HG2       PRO  67  -8.544  -6.315   1.450
  422   2HG   PRO  67          HG1       PRO  67  -7.367  -7.041   2.562
  423   1HD   PRO  67          HD2       PRO  67  -6.588  -5.734   0.353
  424   2HD   PRO  67          HD1       PRO  67  -5.726  -7.174   0.935
  425    H    ARG  68           HN       ARG  68 -10.479  -9.331   0.312
  426    HA   ARG  68           HA       ARG  68 -11.845  -7.589  -1.621
  427   1HB   ARG  68          HB2       ARG  68 -12.412 -10.523  -1.156
  428   2HB   ARG  68          HB1       ARG  68 -13.411  -9.450  -2.127
  429   1HG   ARG  68          HG2       ARG  68 -12.092  -9.679  -3.899
  430   2HG   ARG  68          HG1       ARG  68 -10.637  -9.372  -2.949
  431   1HD   ARG  68          HD2       ARG  68 -10.113 -11.525  -3.070
  432   2HD   ARG  68          HD1       ARG  68 -11.605 -11.930  -2.222
  433    HE   ARG  68           HE       ARG  68 -11.852 -11.483  -5.076
  434   1HH1  ARG  68          HH11      ARG  68 -11.441 -13.780  -2.492
  435   2HH1  ARG  68          HH12      ARG  68 -12.005 -15.126  -3.424
  436   1HH2  ARG  68          HH21      ARG  68 -12.597 -13.249  -6.314
  437   2HH2  ARG  68          HH22      ARG  68 -12.662 -14.825  -5.597
  438    H    ASN  69           HN       ASN  69 -11.886  -6.487   0.621
  439    HA   ASN  69           HA       ASN  69 -14.438  -7.203   1.889
  440   1HB   ASN  69          HB2       ASN  69 -12.124  -6.186   3.523
  441   2HB   ASN  69          HB1       ASN  69 -13.587  -6.995   4.072
  442   1HD2  ASN  69          HD21      ASN  69 -13.839  -9.262   3.471
  443   2HD2  ASN  69          HD22      ASN  69 -12.428 -10.253   3.365
  444    HA   PRO  70           HA       PRO  70 -15.752  -3.002   1.889
  445   1HB   PRO  70          HB2       PRO  70 -15.384  -2.837   4.847
  446   2HB   PRO  70          HB1       PRO  70 -16.794  -2.424   3.864
  447   1HG   PRO  70          HG2       PRO  70 -16.757  -4.676   5.271
  448   2HG   PRO  70          HG1       PRO  70 -17.452  -4.642   3.639
  449   1HD   PRO  70          HD2       PRO  70 -14.831  -5.728   4.564
  450   2HD   PRO  70          HD1       PRO  70 -15.925  -6.340   3.306
  451    H    PHE  71           HN       PHE  71 -14.230  -1.769   0.929
  452    HA   PHE  71           HA       PHE  71 -11.760  -1.109   2.293
  453   1HB   PHE  71          HB2       PHE  71 -12.805  -0.313  -0.431
  454   2HB   PHE  71          HB1       PHE  71 -11.192   0.041   0.176
  455    HD1  PHE  71           HD1      PHE  71 -12.185  -1.639  -2.295
  456    HD2  PHE  71           HD2      PHE  71 -10.767  -2.610   1.597
  457    HE1  PHE  71           HE1      PHE  71 -11.387  -3.812  -3.130
  458    HE2  PHE  71           HE2      PHE  71  -9.965  -4.783   0.771
  459    HZ   PHE  71           HZ       PHE  71 -10.275  -5.387  -1.598
  460    H    HIS  72           HN       HIS  72 -11.316   1.494   1.293
  461    HA   HIS  72           HA       HIS  72 -12.302   3.075   3.328
  462   1HB   HIS  72          HB2       HIS  72 -10.422   3.551   1.621
  463   2HB   HIS  72          HB1       HIS  72 -11.701   4.218   0.611
  464    HD1  HIS  72           HD1      HIS  72 -12.060   6.641   0.909
  465    HD2  HIS  72           HD2      HIS  72 -10.459   4.891   4.321
  466    HE1  HIS  72           HE1      HIS  72 -11.691   8.532   2.524
  467    HE2  HIS  72           HE2      HIS  72 -10.658   7.460   4.556
  468    H    ALA  73           HN       ALA  73 -13.878   4.767   3.378
  469    HA   ALA  73           HA       ALA  73 -15.709   5.563   1.571
  470   1HB   ALA  73          HB1       ALA  73 -17.673   3.981   2.069
  471   2HB   ALA  73          HB2       ALA  73 -16.435   2.839   2.591
  472   3HB   ALA  73          HB3       ALA  73 -16.436   3.442   0.934
  Start of MODEL   14
    1   1H    GLU   1           HT1      GLU   1  -3.326   5.854  12.118
    2   2H    GLU   1           HT2      GLU   1  -4.966   6.277  11.837
    3   3H    GLU   1           HT3      GLU   1  -3.705   7.296  11.272
    4    HA   GLU   1           HA       GLU   1  -4.782   4.861  10.181
    5   1HB   GLU   1          HB2       GLU   1  -3.836   7.540   9.364
    6   2HB   GLU   1          HB1       GLU   1  -3.547   6.253   8.202
    7   1HG   GLU   1          HG2       GLU   1  -6.249   6.294   9.334
    8   2HG   GLU   1          HG1       GLU   1  -5.824   7.710   8.374
    9    H    ALA   2           HN       ALA   2  -3.153   4.306   8.144
   10    HA   ALA   2           HA       ALA   2  -0.643   3.459   9.438
   11   1HB   ALA   2          HB1       ALA   2  -2.243   2.041   7.311
   12   2HB   ALA   2          HB2       ALA   2  -2.081   1.565   9.001
   13   3HB   ALA   2          HB3       ALA   2  -0.680   1.508   7.931
   14    H    GLY   3           HN       GLY   3  -1.747   3.477   6.054
   15   1HA   GLY   3          HA2       GLY   3   0.811   4.348   5.125
   16   2HA   GLY   3          HA1       GLY   3  -0.642   4.167   4.152
   17    H    GLU   4           HN       GLU   4  -1.565   5.992   3.388
   18    HA   GLU   4           HA       GLU   4  -2.054   8.188   3.080
   19   1HB   GLU   4          HB2       GLU   4  -1.350   8.478   6.005
   20   2HB   GLU   4          HB1       GLU   4  -2.265   9.626   5.038
   21   1HG   GLU   4          HG2       GLU   4  -3.635   7.244   4.722
   22   2HG   GLU   4          HG1       GLU   4  -3.147   7.243   6.417
   23    H    GLU   5           HN       GLU   5   0.680   8.171   5.381
   24    HA   GLU   5           HA       GLU   5   1.959  10.388   4.149
   25   1HB   GLU   5          HB2       GLU   5   2.977   8.317   6.099
   26   2HB   GLU   5          HB1       GLU   5   3.902   9.724   5.595
   27   1HG   GLU   5          HG2       GLU   5   1.472  10.772   6.407
   28   2HG   GLU   5          HG1       GLU   5   1.809   9.494   7.574
   29    H    CYS   6           HN       CYS   6   4.585   9.773   3.859
   30    HA   CYS   6           HA       CYS   6   6.021   9.159   2.191
   31   1HB   CYS   6          HB2       CYS   6   6.159   7.152   3.506
   32   2HB   CYS   6          HB1       CYS   6   4.668   6.531   2.807
   33    H    ASP   7           HN       ASP   7   5.410  10.222   0.387
   34    HA   ASP   7           HA       ASP   7   3.347   9.021  -1.318
   35   1HB   ASP   7          HB2       ASP   7   4.643  11.750  -1.491
   36   2HB   ASP   7          HB1       ASP   7   3.328  11.169  -2.508
   37    H    CYS   8           HN       CYS   8   5.457   7.457  -1.424
   38    HA   CYS   8           HA       CYS   8   7.127   8.333  -3.666
   39   1HB   CYS   8          HB2       CYS   8   7.402   5.976  -1.804
   40   2HB   CYS   8          HB1       CYS   8   8.433   6.283  -3.187
   41    H    GLY   9           HN       GLY   9   4.347   6.435  -3.102
   42   1HA   GLY   9          HA2       GLY   9   4.037   5.716  -5.777
   43   2HA   GLY   9          HA1       GLY   9   4.824   4.365  -4.988
   44    H    SER  10           HN       SER  10   3.120   2.952  -5.299
   45    HA   SER  10           HA       SER  10   1.089   2.936  -3.332
   46   1HB   SER  10          HB2       SER  10  -0.007   3.207  -6.126
   47   2HB   SER  10          HB1       SER  10  -0.841   3.424  -4.588
   48    HG   SER  10           HG       SER  10   0.477   5.308  -4.279
   49    HA   PRO  11           HA       PRO  11   0.504  -1.342  -4.333
   50   1HB   PRO  11          HB2       PRO  11  -1.798  -1.014  -6.185
   51   2HB   PRO  11          HB1       PRO  11  -1.639  -2.048  -4.761
   52   1HG   PRO  11          HG2       PRO  11  -3.092   0.191  -4.695
   53   2HG   PRO  11          HG1       PRO  11  -2.145  -0.337  -3.300
   54   1HD   PRO  11          HD2       PRO  11  -1.602   1.849  -5.242
   55   2HD   PRO  11          HD1       PRO  11  -1.220   1.755  -3.512
   56    H    GLY  12           HN       GLY  12   2.395  -1.532  -5.505
   57   1HA   GLY  12          HA2       GLY  12   2.968  -2.810  -7.577
   58   2HA   GLY  12          HA1       GLY  12   2.043  -1.591  -8.447
   59    H    ASN  13           HN       ASN  13   3.151   0.363  -6.385
   60    HA   ASN  13           HA       ASN  13   5.850   0.644  -7.505
   61   1HB   ASN  13          HB2       ASN  13   4.052   2.992  -6.903
   62   2HB   ASN  13          HB1       ASN  13   5.561   2.982  -7.809
   63   1HD2  ASN  13          HD21      ASN  13   2.243   1.791  -7.853
   64   2HD2  ASN  13          HD22      ASN  13   2.082   1.773  -9.573
   65    HA   PRO  14           HA       PRO  14   5.480  -0.142  -2.733
   66   1HB   PRO  14          HB2       PRO  14   8.278  -0.328  -3.792
   67   2HB   PRO  14          HB1       PRO  14   7.481  -1.325  -2.577
   68   1HG   PRO  14          HG2       PRO  14   7.680  -1.877  -5.332
   69   2HG   PRO  14          HG1       PRO  14   6.673  -2.734  -4.161
   70   1HD   PRO  14          HD2       PRO  14   5.721  -1.242  -6.305
   71   2HD   PRO  14          HD1       PRO  14   4.774  -1.643  -4.853
   72    H    CYS  15           HN       CYS  15   5.163   1.778  -1.775
   73    HA   CYS  15           HA       CYS  15   5.929   4.249  -2.177
   74   1HB   CYS  15          HB2       CYS  15   5.023   2.950   0.045
   75   2HB   CYS  15          HB1       CYS  15   6.600   3.509   0.595
   76    H    CYS  16           HN       CYS  16   7.748   4.445  -3.364
   77    HA   CYS  16           HA       CYS  16   9.826   5.265  -3.557
   78   1HB   CYS  16          HB2       CYS  16   9.795   4.836  -0.706
   79   2HB   CYS  16          HB1       CYS  16  11.382   4.526  -1.394
   80    H    ASP  17           HN       ASP  17  10.606   4.282  -5.167
   81    HA   ASP  17           HA       ASP  17  12.400   2.078  -4.851
   82   1HB   ASP  17          HB2       ASP  17  11.185   0.559  -6.395
   83   2HB   ASP  17          HB1       ASP  17  10.316   0.817  -4.887
   84    H    ALA  18           HN       ALA  18  13.805   3.610  -5.788
   85    HA   ALA  18           HA       ALA  18  13.785   5.306  -7.754
   86   1HB   ALA  18          HB1       ALA  18  15.933   3.822  -8.627
   87   2HB   ALA  18          HB2       ALA  18  15.749   3.320  -6.947
   88   3HB   ALA  18          HB3       ALA  18  15.957   5.026  -7.339
   89    H    ALA  19           HN       ALA  19  13.608   1.835  -8.358
   90    HA   ALA  19           HA       ALA  19  12.038   2.193 -10.697
   91   1HB   ALA  19          HB1       ALA  19  14.337   2.874 -11.456
   92   2HB   ALA  19          HB2       ALA  19  13.565   1.597 -12.396
   93   3HB   ALA  19          HB3       ALA  19  14.820   1.194 -11.223
   94    H    THR  20           HN       THR  20  12.409   0.535  -8.153
   95    HA   THR  20           HA       THR  20  11.268  -1.853  -9.139
   96    HB   THR  20           HB       THR  20  13.797  -2.601  -7.824
   97    HG1  THR  20           HG1      THR  20  14.477  -0.933  -9.265
   98   1HG2  THR  20          HG21      THR  20  13.826  -4.213  -9.780
   99   2HG2  THR  20          HG22      THR  20  12.210  -3.610 -10.153
  100   3HG2  THR  20          HG23      THR  20  12.524  -4.393  -8.604
  101    H    CYS  21           HN       CYS  21  10.022  -2.670  -7.559
  102    HA   CYS  21           HA       CYS  21   9.434  -1.589  -5.207
  103   1HB   CYS  21          HB2       CYS  21   9.758  -4.590  -5.361
  104   2HB   CYS  21          HB1       CYS  21   8.577  -3.679  -4.429
  105    H    LYS  22           HN       LYS  22  10.977  -0.622  -3.984
  106    HA   LYS  22           HA       LYS  22  12.439  -2.195  -2.139
  107   1HB   LYS  22          HB2       LYS  22  13.740  -2.064  -4.504
  108   2HB   LYS  22          HB1       LYS  22  14.370  -0.620  -3.725
  109   1HG   LYS  22          HG2       LYS  22  15.898  -2.036  -2.903
  110   2HG   LYS  22          HG1       LYS  22  14.639  -2.409  -1.724
  111   1HD   LYS  22          HD2       LYS  22  14.299  -4.470  -2.559
  112   2HD   LYS  22          HD1       LYS  22  14.451  -3.922  -4.230
  113   1HE   LYS  22          HE2       LYS  22  16.563  -4.612  -4.340
  114   2HE   LYS  22          HE1       LYS  22  16.980  -3.758  -2.855
  115   1HZ   LYS  22          HZ1       LYS  22  16.391  -5.601  -1.558
  116   2HZ   LYS  22          HZ2       LYS  22  17.269  -6.251  -2.849
  117   3HZ   LYS  22          HZ3       LYS  22  15.582  -6.366  -2.832
  118    H    LEU  23           HN       LEU  23  12.425  -1.051  -0.346
  119    HA   LEU  23           HA       LEU  23  13.307   1.660  -0.231
  120   1HB   LEU  23          HB2       LEU  23  11.164   2.394   1.008
  121   2HB   LEU  23          HB1       LEU  23  11.199   2.435  -0.736
  122    HG   LEU  23           HG       LEU  23   9.116   1.535   0.545
  123   1HD1  LEU  23          HD11      LEU  23  10.328   0.332  -1.919
  124   2HD1  LEU  23          HD12      LEU  23   9.098   1.586  -1.795
  125   3HD1  LEU  23          HD13      LEU  23   8.709  -0.077  -1.360
  126   1HD2  LEU  23          HD21      LEU  23   9.245  -1.004   0.610
  127   2HD2  LEU  23          HD22      LEU  23  10.005  -0.114   1.927
  128   3HD2  LEU  23          HD23      LEU  23  10.989  -0.796   0.644
  129    H    ARG  24           HN       ARG  24  13.762   2.370   1.871
  130    HA   ARG  24           HA       ARG  24  13.909   0.183   3.816
  131   1HB   ARG  24          HB2       ARG  24  15.332   2.839   3.954
  132   2HB   ARG  24          HB1       ARG  24  15.697   1.377   4.858
  133   1HG   ARG  24          HG2       ARG  24  16.082   0.367   2.471
  134   2HG   ARG  24          HG1       ARG  24  16.307   2.060   2.028
  135   1HD   ARG  24          HD2       ARG  24  17.728   0.987   4.419
  136   2HD   ARG  24          HD1       ARG  24  18.335   0.582   2.814
  137    HE   ARG  24           HE       ARG  24  17.877   3.375   3.070
  138   1HH1  ARG  24          HH11      ARG  24  20.095   0.836   3.941
  139   2HH1  ARG  24          HH12      ARG  24  21.465   1.891   4.047
  140   1HH2  ARG  24          HH21      ARG  24  19.674   4.774   3.206
  141   2HH2  ARG  24          HH22      ARG  24  21.225   4.130   3.630
  142    H    GLN  25           HN       GLN  25  11.766   2.479   3.146
  143    HA   GLN  25           HA       GLN  25  11.361   3.362   5.910
  144   1HB   GLN  25          HB2       GLN  25  10.888   4.546   3.326
  145   2HB   GLN  25          HB1       GLN  25   9.397   4.511   4.258
  146   1HG   GLN  25          HG2       GLN  25  10.936   6.562   4.441
  147   2HG   GLN  25          HG1       GLN  25  10.241   5.884   5.912
  148   1HE2  GLN  25          HE21      GLN  25  13.090   5.365   3.854
  149   2HE2  GLN  25          HE22      GLN  25  14.222   5.261   5.155
  150    H    GLY  26           HN       GLY  26  10.347   0.968   3.820
  151   1HA   GLY  26          HA2       GLY  26   8.817  -0.723   4.223
  152   2HA   GLY  26          HA1       GLY  26   8.250   0.165   5.629
  153    H    ALA  27           HN       ALA  27   8.172   0.178   2.103
  154    HA   ALA  27           HA       ALA  27   5.966   1.941   1.860
  155   1HB   ALA  27          HB1       ALA  27   5.940   0.748  -0.492
  156   2HB   ALA  27          HB2       ALA  27   7.507   0.161   0.049
  157   3HB   ALA  27          HB3       ALA  27   7.209   1.888  -0.059
  158    H    GLN  28           HN       GLN  28   6.076  -1.132   3.039
  159    HA   GLN  28           HA       GLN  28   4.414  -2.916   2.254
  160   1HB   GLN  28          HB2       GLN  28   3.900  -1.531   4.888
  161   2HB   GLN  28          HB1       GLN  28   3.402  -3.164   4.474
  162   1HG   GLN  28          HG2       GLN  28   5.506  -4.000   4.668
  163   2HG   GLN  28          HG1       GLN  28   6.282  -2.472   4.276
  164   1HE2  GLN  28          HE21      GLN  28   7.604  -2.257   5.990
  165   2HE2  GLN  28          HE22      GLN  28   7.070  -2.136   7.628
  166    H    CYS  29           HN       CYS  29   2.710  -0.430   4.040
  167    HA   CYS  29           HA       CYS  29   0.610  -0.326   2.003
  168   1HB   CYS  29          HB2       CYS  29   0.276  -0.719   4.981
  169   2HB   CYS  29          HB1       CYS  29  -1.034  -0.185   3.931
  170    H    ALA  30           HN       ALA  30   2.634   1.411   2.141
  171    HA   ALA  30           HA       ALA  30   2.262   3.650   3.841
  172   1HB   ALA  30          HB1       ALA  30   3.600   3.564   1.139
  173   2HB   ALA  30          HB2       ALA  30   4.371   3.157   2.672
  174   3HB   ALA  30          HB3       ALA  30   3.813   4.803   2.375
  175    H    GLU  31           HN       GLU  31   2.422   5.560   1.379
  176    HA   GLU  31           HA       GLU  31  -0.053   6.684   1.445
  177   1HB   GLU  31          HB2       GLU  31   1.651   7.766   0.154
  178   2HB   GLU  31          HB1       GLU  31   1.808   6.384  -0.922
  179   1HG   GLU  31          HG2       GLU  31  -0.883   7.476  -0.884
  180   2HG   GLU  31          HG1       GLU  31   0.329   8.655  -1.382
  181    H    GLY  32           HN       GLY  32   0.988   3.819  -0.152
  182   1HA   GLY  32          HA2       GLY  32  -1.727   2.906  -0.431
  183   2HA   GLY  32          HA1       GLY  32  -0.853   3.081  -1.953
  184    H    LEU  33           HN       LEU  33  -1.286   0.675  -2.000
  185    HA   LEU  33           HA       LEU  33   0.038  -0.951  -0.109
  186   1HB   LEU  33          HB2       LEU  33  -1.877  -1.437  -1.897
  187   2HB   LEU  33          HB1       LEU  33  -0.508  -2.073  -2.790
  188    HG   LEU  33           HG       LEU  33  -1.925  -3.636  -1.254
  189   1HD1  LEU  33          HD11      LEU  33  -0.297  -4.919  -1.994
  190   2HD1  LEU  33          HD12      LEU  33   0.586  -4.505  -0.530
  191   3HD1  LEU  33          HD13      LEU  33   0.853  -3.585  -2.010
  192   1HD2  LEU  33          HD21      LEU  33  -1.463  -3.697   0.999
  193   2HD2  LEU  33          HD22      LEU  33  -1.441  -1.960   0.695
  194   3HD2  LEU  33          HD23      LEU  33   0.075  -2.853   0.814
  195    H    CYS  34           HN       CYS  34   1.709  -2.596  -0.692
  196    HA   CYS  34           HA       CYS  34   3.887  -1.395  -2.257
  197   1HB   CYS  34          HB2       CYS  34   3.980  -1.694   0.358
  198   2HB   CYS  34          HB1       CYS  34   4.381  -3.348  -0.052
  199    H    CYS  35           HN       CYS  35   5.648  -3.129  -2.677
  200    HA   CYS  35           HA       CYS  35   4.469  -5.646  -3.549
  201   1HB   CYS  35          HB2       CYS  35   4.421  -4.872  -5.674
  202   2HB   CYS  35          HB1       CYS  35   5.479  -3.522  -5.301
  203    H    ASP  36           HN       ASP  36   7.256  -3.827  -2.635
  204    HA   ASP  36           HA       ASP  36   9.160  -5.930  -2.962
  205   1HB   ASP  36          HB2       ASP  36   9.602  -3.399  -2.898
  206   2HB   ASP  36          HB1       ASP  36   9.475  -3.541  -1.149
  207    H    GLN  37           HN       GLN  37  10.583  -6.350  -0.837
  208    HA   GLN  37           HA       GLN  37   9.164  -8.082   0.773
  209   1HB   GLN  37          HB2       GLN  37  11.692  -6.632   1.567
  210   2HB   GLN  37          HB1       GLN  37  11.122  -8.178   2.182
  211   1HG   GLN  37          HG2       GLN  37  12.334  -7.528  -0.464
  212   2HG   GLN  37          HG1       GLN  37  12.765  -8.792   0.686
  213   1HE2  GLN  37          HE21      GLN  37  11.274 -10.582   0.921
  214   2HE2  GLN  37          HE22      GLN  37  10.329 -11.081  -0.437
  215    H    CYS  38           HN       CYS  38   9.324  -4.678   0.845
  216    HA   CYS  38           HA       CYS  38   9.159  -3.589   3.193
  217   1HB   CYS  38          HB2       CYS  38   6.690  -2.734   2.360
  218   2HB   CYS  38          HB1       CYS  38   8.218  -2.075   1.787
  219    H    ARG  39           HN       ARG  39   6.598  -5.735   2.045
  220    HA   ARG  39           HA       ARG  39   5.492  -7.351   3.300
  221   1HB   ARG  39          HB2       ARG  39   5.797  -7.636   5.532
  222   2HB   ARG  39          HB1       ARG  39   7.179  -6.599   5.228
  223   1HG   ARG  39          HG2       ARG  39   6.367  -4.947   6.503
  224   2HG   ARG  39          HG1       ARG  39   4.722  -5.146   5.912
  225   1HD   ARG  39          HD2       ARG  39   4.142  -6.372   7.677
  226   2HD   ARG  39          HD1       ARG  39   5.566  -7.400   7.515
  227    HE   ARG  39           HE       ARG  39   5.217  -5.225   9.330
  228   1HH1  ARG  39          HH11      ARG  39   7.580  -6.978   7.465
  229   2HH1  ARG  39          HH12      ARG  39   8.898  -6.571   8.512
  230   1HH2  ARG  39          HH21      ARG  39   6.946  -4.682  10.713
  231   2HH2  ARG  39          HH22      ARG  39   8.537  -5.266  10.360
  232    H    PHE  40           HN       PHE  40   3.535  -6.961   5.176
  233    HA   PHE  40           HA       PHE  40   2.095  -4.539   4.661
  234   1HB   PHE  40          HB2       PHE  40   0.783  -7.027   3.595
  235   2HB   PHE  40          HB1       PHE  40   0.347  -5.344   3.311
  236    HD1  PHE  40           HD1      PHE  40   2.797  -7.980   2.499
  237    HD2  PHE  40           HD2      PHE  40   1.353  -4.086   1.577
  238    HE1  PHE  40           HE1      PHE  40   4.159  -7.958   0.455
  239    HE2  PHE  40           HE2      PHE  40   2.711  -4.068  -0.465
  240    HZ   PHE  40           HZ       PHE  40   4.120  -5.997  -1.027
  241    H    MET  41           HN       MET  41   0.179  -4.335   5.884
  242    HA   MET  41           HA       MET  41   0.283  -5.389   8.434
  243   1HB   MET  41          HB2       MET  41  -0.941  -3.312   7.506
  244   2HB   MET  41          HB1       MET  41  -2.281  -4.413   7.225
  245   1HG   MET  41          HG2       MET  41  -2.687  -3.391   9.304
  246   2HG   MET  41          HG1       MET  41  -2.142  -5.030   9.659
  247   1HE   MET  41          HE1       MET  41  -1.825  -1.429   9.994
  248   2HE   MET  41          HE2       MET  41  -0.261  -1.331   9.185
  249   3HE   MET  41          HE3       MET  41  -0.366  -1.108  10.931
  250    H    LYS  42           HN       LYS  42  -2.880  -5.891   8.174
  251    HA   LYS  42           HA       LYS  42  -3.275  -8.340   6.942
  252   1HB   LYS  42          HB2       LYS  42  -1.511  -9.024   8.639
  253   2HB   LYS  42          HB1       LYS  42  -2.718  -8.715   9.879
  254   1HG   LYS  42          HG2       LYS  42  -2.717 -11.047   9.426
  255   2HG   LYS  42          HG1       LYS  42  -4.200 -10.371   8.748
  256   1HD   LYS  42          HD2       LYS  42  -3.184 -10.339   6.531
  257   2HD   LYS  42          HD1       LYS  42  -1.680 -10.975   7.200
  258   1HE   LYS  42          HE2       LYS  42  -2.922 -12.771   6.178
  259   2HE   LYS  42          HE1       LYS  42  -2.900 -12.996   7.927
  260   1HZ   LYS  42          HZ1       LYS  42  -5.144 -12.031   6.251
  261   2HZ   LYS  42          HZ2       LYS  42  -5.136 -11.886   7.936
  262   3HZ   LYS  42          HZ3       LYS  42  -5.091 -13.417   7.219
  263    H    GLU  43           HN       GLU  43  -4.615  -5.862   7.601
  264    HA   GLU  43           HA       GLU  43  -7.198  -6.753   8.012
  265   1HB   GLU  43          HB2       GLU  43  -6.854  -7.322  10.233
  266   2HB   GLU  43          HB1       GLU  43  -5.763  -5.972  10.515
  267   1HG   GLU  43          HG2       GLU  43  -7.440  -4.531  10.971
  268   2HG   GLU  43          HG1       GLU  43  -8.549  -5.287   9.828
  269    H    GLY  44           HN       GLY  44  -8.304  -5.293   6.985
  270   1HA   GLY  44          HA2       GLY  44  -8.366  -3.244   5.743
  271   2HA   GLY  44          HA1       GLY  44  -9.179  -2.949   7.266
  272    H    THR  45           HN       THR  45  -5.904  -2.806   5.800
  273    HA   THR  45           HA       THR  45  -5.376  -0.539   7.591
  274    HB   THR  45           HB       THR  45  -3.149  -1.559   5.958
  275    HG1  THR  45           HG1      THR  45  -4.357  -3.459   6.590
  276   1HG2  THR  45          HG21      THR  45  -3.399  -1.078   8.906
  277   2HG2  THR  45          HG22      THR  45  -2.836   0.112   7.732
  278   3HG2  THR  45          HG23      THR  45  -1.915  -1.368   7.998
  279    H    ILE  46           HN       ILE  46  -3.739  -0.908   4.499
  280    HA   ILE  46           HA       ILE  46  -5.327   1.126   3.248
  281    HB   ILE  46           HB       ILE  46  -2.788   1.830   4.547
  282   1HG1  ILE  46          HG12      ILE  46  -3.932   4.152   3.948
  283   2HG1  ILE  46          HG11      ILE  46  -5.331   3.115   3.686
  284   1HG2  ILE  46          HG21      ILE  46  -3.167   2.348   1.638
  285   2HG2  ILE  46          HG22      ILE  46  -1.690   2.007   2.539
  286   3HG2  ILE  46          HG23      ILE  46  -2.437   3.601   2.641
  287   1HD1  ILE  46          HD11      ILE  46  -4.227   4.084   6.132
  288   2HD1  ILE  46          HD12      ILE  46  -4.214   2.320   6.128
  289   3HD1  ILE  46          HD13      ILE  46  -5.723   3.191   5.854
  290    H    CYS  47           HN       CYS  47  -5.670  -0.253   1.579
  291    HA   CYS  47           HA       CYS  47  -3.360  -1.282   0.109
  292   1HB   CYS  47          HB2       CYS  47  -5.633  -2.544   0.762
  293   2HB   CYS  47          HB1       CYS  47  -6.084  -1.907  -0.814
  294    H    ARG  48           HN       ARG  48  -4.831   1.488   0.217
  295    HA   ARG  48           HA       ARG  48  -5.971   2.710  -1.628
  296   1HB   ARG  48          HB2       ARG  48  -3.001   3.162  -1.591
  297   2HB   ARG  48          HB1       ARG  48  -4.237   4.337  -1.992
  298   1HG   ARG  48          HG2       ARG  48  -4.721   3.273   0.625
  299   2HG   ARG  48          HG1       ARG  48  -3.065   3.868   0.503
  300   1HD   ARG  48          HD2       ARG  48  -3.756   6.035  -0.008
  301   2HD   ARG  48          HD1       ARG  48  -5.368   5.507  -0.488
  302    HE   ARG  48           HE       ARG  48  -4.579   6.311   2.090
  303   1HH1  ARG  48          HH11      ARG  48  -6.487   3.879   0.488
  304   2HH1  ARG  48          HH12      ARG  48  -7.568   3.661   1.824
  305   1HH2  ARG  48          HH21      ARG  48  -5.995   6.030   3.858
  306   2HH2  ARG  48          HH22      ARG  48  -7.287   4.882   3.740
  307    H    ARG  49           HN       ARG  49  -6.654   1.581  -3.475
  308    HA   ARG  49           HA       ARG  49  -4.794   0.429  -5.307
  309   1HB   ARG  49          HB2       ARG  49  -7.029   0.849  -6.836
  310   2HB   ARG  49          HB1       ARG  49  -6.715  -0.580  -5.865
  311   1HG   ARG  49          HG2       ARG  49  -8.113   0.139  -4.144
  312   2HG   ARG  49          HG1       ARG  49  -8.130   1.803  -4.731
  313   1HD   ARG  49          HD2       ARG  49  -9.203   0.737  -6.858
  314   2HD   ARG  49          HD1       ARG  49  -9.584  -0.594  -5.767
  315    HE   ARG  49           HE       ARG  49 -10.484   1.566  -4.422
  316   1HH1  ARG  49          HH11      ARG  49 -10.969   0.415  -7.672
  317   2HH1  ARG  49          HH12      ARG  49 -12.561   1.082  -7.810
  318   1HH2  ARG  49          HH21      ARG  49 -12.581   2.449  -4.591
  319   2HH2  ARG  49          HH22      ARG  49 -13.478   2.240  -6.058
  320    H    ALA  50           HN       ALA  50  -5.661   3.595  -4.659
  321    HA   ALA  50           HA       ALA  50  -3.990   4.644  -6.688
  322   1HB   ALA  50          HB1       ALA  50  -6.327   5.990  -7.418
  323   2HB   ALA  50          HB2       ALA  50  -6.756   4.280  -7.395
  324   3HB   ALA  50          HB3       ALA  50  -5.409   4.838  -8.387
  325    H    ARG  51           HN       ARG  51  -5.018   7.225  -6.899
  326    HA   ARG  51           HA       ARG  51  -5.548   8.166  -4.199
  327   1HB   ARG  51          HB2       ARG  51  -2.936   8.352  -5.495
  328   2HB   ARG  51          HB1       ARG  51  -3.555   9.914  -4.978
  329   1HG   ARG  51          HG2       ARG  51  -3.823   7.796  -2.977
  330   2HG   ARG  51          HG1       ARG  51  -2.158   8.189  -3.413
  331   1HD   ARG  51          HD2       ARG  51  -3.011   9.518  -1.505
  332   2HD   ARG  51          HD1       ARG  51  -2.511  10.507  -2.876
  333    HE   ARG  51           HE       ARG  51  -5.290   9.919  -2.983
  334   1HH1  ARG  51          HH11      ARG  51  -2.936  11.939  -1.399
  335   2HH1  ARG  51          HH12      ARG  51  -4.063  13.211  -1.063
  336   1HH2  ARG  51          HH21      ARG  51  -6.782  11.588  -2.546
  337   2HH2  ARG  51          HH22      ARG  51  -6.249  13.012  -1.714
  338    H    GLY  52           HN       GLY  52  -4.124  10.119  -6.738
  339   1HA   GLY  52          HA2       GLY  52  -4.966  12.107  -7.609
  340   2HA   GLY  52          HA1       GLY  52  -6.103  10.969  -8.315
  341    H    ASP  53           HN       ASP  53  -8.190  11.240  -7.877
  342    HA   ASP  53           HA       ASP  53  -8.905  12.989  -5.616
  343   1HB   ASP  53          HB2       ASP  53 -10.877  13.671  -6.915
  344   2HB   ASP  53          HB1       ASP  53  -9.387  14.023  -7.785
  345    H    ASP  54           HN       ASP  54  -8.931   9.855  -6.585
  346    HA   ASP  54           HA       ASP  54 -10.772   9.060  -4.569
  347   1HB   ASP  54          HB2       ASP  54 -11.638   8.960  -7.444
  348   2HB   ASP  54          HB1       ASP  54 -12.220   7.754  -6.300
  349    H    LEU  55           HN       LEU  55 -11.335   6.509  -5.222
  350    HA   LEU  55           HA       LEU  55 -10.502   4.409  -5.570
  351   1HB   LEU  55          HB2       LEU  55  -8.026   5.703  -6.696
  352   2HB   LEU  55          HB1       LEU  55  -8.550   4.045  -6.915
  353    HG   LEU  55           HG       LEU  55 -10.672   5.534  -7.902
  354   1HD1  LEU  55          HD11      LEU  55  -9.861   7.573  -8.331
  355   2HD1  LEU  55          HD12      LEU  55  -8.998   6.793  -9.656
  356   3HD1  LEU  55          HD13      LEU  55  -8.189   7.058  -8.112
  357   1HD2  LEU  55          HD21      LEU  55 -10.116   4.555  -9.971
  358   2HD2  LEU  55          HD22      LEU  55  -9.543   3.423  -8.746
  359   3HD2  LEU  55          HD23      LEU  55  -8.401   4.486  -9.568
  360    H    ASP  56           HN       ASP  56  -9.926   3.299  -3.852
  361    HA   ASP  56           HA       ASP  56  -7.368   3.592  -2.596
  362   1HB   ASP  56          HB2       ASP  56  -9.728   4.139  -0.809
  363   2HB   ASP  56          HB1       ASP  56  -8.017   4.374  -0.467
  364    H    ASP  57           HN       ASP  57  -8.002   2.402  -0.155
  365    HA   ASP  57           HA       ASP  57  -9.691   0.296  -0.005
  366   1HB   ASP  57          HB2       ASP  57  -7.513  -0.281  -1.921
  367   2HB   ASP  57          HB1       ASP  57  -7.841  -1.536  -0.731
  368    H    TYR  58           HN       TYR  58  -8.639  -1.671   1.277
  369    HA   TYR  58           HA       TYR  58  -6.669  -0.540   3.148
  370   1HB   TYR  58          HB2       TYR  58  -9.117  -2.169   3.840
  371   2HB   TYR  58          HB1       TYR  58  -7.880  -1.656   4.976
  372    HD1  TYR  58           HD1      TYR  58  -8.548   0.069   6.335
  373    HD2  TYR  58           HD2      TYR  58  -9.877   0.012   2.295
  374    HE1  TYR  58           HE1      TYR  58  -9.746   2.185   6.705
  375    HE2  TYR  58           HE2      TYR  58 -11.078   2.127   2.651
  376    HH   TYR  58           HH       TYR  58 -10.860   4.119   4.264
  377    H    CYS  59           HN       CYS  59  -5.338  -2.013   4.273
  378    HA   CYS  59           HA       CYS  59  -4.653  -4.353   2.714
  379   1HB   CYS  59          HB2       CYS  59  -3.299  -3.101   5.094
  380   2HB   CYS  59          HB1       CYS  59  -2.666  -4.455   4.177
  381    H    ASN  60           HN       ASN  60  -4.450  -6.382   3.425
  382    HA   ASN  60           HA       ASN  60  -5.152  -7.242   6.063
  383   1HB   ASN  60          HB2       ASN  60  -6.905  -7.898   3.695
  384   2HB   ASN  60          HB1       ASN  60  -6.919  -8.833   5.189
  385   1HD2  ASN  60          HD21      ASN  60  -7.209  -5.528   3.998
  386   2HD2  ASN  60          HD22      ASN  60  -8.352  -5.009   5.176
  387    H    GLY  61           HN       GLY  61  -5.750  -9.596   3.674
  388   1HA   GLY  61          HA2       GLY  61  -3.341 -11.008   4.306
  389   2HA   GLY  61          HA1       GLY  61  -4.502 -11.448   3.055
  390    H    ILE  62           HN       ILE  62  -3.953  -8.378   2.412
  391    HA   ILE  62           HA       ILE  62  -2.715  -8.564   0.027
  392    HB   ILE  62           HB       ILE  62  -2.376  -6.221   0.083
  393   1HG1  ILE  62          HG12      ILE  62  -1.311  -5.429   1.931
  394   2HG1  ILE  62          HG11      ILE  62  -2.951  -5.129   2.468
  395   1HG2  ILE  62          HG21      ILE  62  -4.750  -6.842   1.823
  396   2HG2  ILE  62          HG22      ILE  62  -4.692  -7.037   0.083
  397   3HG2  ILE  62          HG23      ILE  62  -4.537  -5.431   0.795
  398   1HD1  ILE  62          HD11      ILE  62  -1.868  -7.767   3.191
  399   2HD1  ILE  62          HD12      ILE  62  -2.800  -6.618   4.136
  400   3HD1  ILE  62          HD13      ILE  62  -1.076  -6.385   3.925
  401    H    SER  63           HN       SER  63  -0.891  -9.846  -0.118
  402    HA   SER  63           HA       SER  63   1.460  -8.989   1.406
  403   1HB   SER  63          HB2       SER  63   2.419 -11.073   0.967
  404   2HB   SER  63          HB1       SER  63   0.713 -11.442   1.220
  405    HG   SER  63           HG       SER  63   0.814 -12.335  -0.675
  406    H    ALA  64           HN       ALA  64   0.456  -7.316  -0.505
  407    HA   ALA  64           HA       ALA  64   1.884  -5.869  -1.791
  408   1HB   ALA  64          HB1       ALA  64   3.721  -7.357  -2.163
  409   2HB   ALA  64          HB2       ALA  64   3.112  -6.812  -3.724
  410   3HB   ALA  64          HB3       ALA  64   2.715  -8.423  -3.141
  411    H    GLY  65           HN       GLY  65  -0.813  -7.307  -1.835
  412   1HA   GLY  65          HA2       GLY  65  -1.560  -6.394  -4.535
  413   2HA   GLY  65          HA1       GLY  65  -2.192  -7.898  -3.877
  414    H    CYS  66           HN       CYS  66  -4.119  -7.764  -3.017
  415    HA   CYS  66           HA       CYS  66  -4.980  -5.815  -1.193
  416   1HB   CYS  66          HB2       CYS  66  -5.854  -5.465  -4.033
  417   2HB   CYS  66          HB1       CYS  66  -6.946  -5.032  -2.724
  418    HA   PRO  67           HA       PRO  67  -7.809  -8.888   0.182
  419   1HB   PRO  67          HB2       PRO  67 -10.119  -7.251   0.259
  420   2HB   PRO  67          HB1       PRO  67  -9.014  -7.586   1.594
  421   1HG   PRO  67          HG2       PRO  67  -9.083  -5.256  -0.271
  422   2HG   PRO  67          HG1       PRO  67  -8.665  -5.306   1.453
  423   1HD   PRO  67          HD2       PRO  67  -6.747  -5.068  -0.353
  424   2HD   PRO  67          HD1       PRO  67  -6.538  -6.163   1.032
  425    H    ARG  68           HN       ARG  68 -10.215  -9.578  -0.318
  426    HA   ARG  68           HA       ARG  68 -10.355  -9.889  -3.218
  427   1HB   ARG  68          HB2       ARG  68 -11.701 -11.331  -0.934
  428   2HB   ARG  68          HB1       ARG  68 -12.114 -11.619  -2.619
  429   1HG   ARG  68          HG2       ARG  68 -10.218 -12.774  -3.032
  430   2HG   ARG  68          HG1       ARG  68  -9.251 -11.798  -1.924
  431   1HD   ARG  68          HD2       ARG  68  -9.318 -13.637  -0.631
  432   2HD   ARG  68          HD1       ARG  68 -10.914 -13.034  -0.185
  433    HE   ARG  68           HE       ARG  68 -11.434 -14.543  -2.357
  434   1HH1  ARG  68          HH11      ARG  68  -9.659 -15.152   0.577
  435   2HH1  ARG  68          HH12      ARG  68 -10.015 -16.847   0.594
  436   1HH2  ARG  68          HH21      ARG  68 -11.908 -16.773  -2.345
  437   2HH2  ARG  68          HH22      ARG  68 -11.293 -17.769  -1.068
  438    H    ASN  69           HN       ASN  69 -11.809  -8.103  -0.723
  439    HA   ASN  69           HA       ASN  69 -14.001  -7.336  -2.532
  440   1HB   ASN  69          HB2       ASN  69 -14.120  -7.793   0.450
  441   2HB   ASN  69          HB1       ASN  69 -15.361  -6.910  -0.434
  442   1HD2  ASN  69          HD21      ASN  69 -15.241  -9.554   1.041
  443   2HD2  ASN  69          HD22      ASN  69 -15.950 -10.678  -0.062
  444    HA   PRO  70           HA       PRO  70 -12.385  -3.235  -2.279
  445   1HB   PRO  70          HB2       PRO  70 -15.249  -2.442  -2.430
  446   2HB   PRO  70          HB1       PRO  70 -13.890  -1.952  -3.447
  447   1HG   PRO  70          HG2       PRO  70 -15.704  -3.685  -4.343
  448   2HG   PRO  70          HG1       PRO  70 -13.984  -3.879  -4.733
  449   1HD   PRO  70          HD2       PRO  70 -15.661  -5.361  -2.753
  450   2HD   PRO  70          HD1       PRO  70 -14.354  -5.957  -3.796
  451    H    PHE  71           HN       PHE  71 -12.238  -1.511  -0.833
  452    HA   PHE  71           HA       PHE  71 -13.809  -1.789   1.645
  453   1HB   PHE  71          HB2       PHE  71 -10.875  -1.210   1.282
  454   2HB   PHE  71          HB1       PHE  71 -11.725  -0.812   2.771
  455    HD1  PHE  71           HD1      PHE  71 -11.534  -3.739   0.456
  456    HD2  PHE  71           HD2      PHE  71 -11.430  -2.315   4.465
  457    HE1  PHE  71           HE1      PHE  71 -11.197  -6.040   1.260
  458    HE2  PHE  71           HE2      PHE  71 -11.092  -4.613   5.276
  459    HZ   PHE  71           HZ       PHE  71 -10.975  -6.479   3.673
  460    H    HIS  72           HN       HIS  72 -12.350   0.351  -0.699
  461    HA   HIS  72           HA       HIS  72 -12.747   2.802   0.593
  462   1HB   HIS  72          HB2       HIS  72 -11.379   2.754  -1.361
  463   2HB   HIS  72          HB1       HIS  72 -12.674   2.065  -2.334
  464    HD1  HIS  72           HD1      HIS  72 -13.466   4.942  -0.106
  465    HD2  HIS  72           HD2      HIS  72 -12.532   4.261  -4.098
  466    HE1  HIS  72           HE1      HIS  72 -14.013   7.087  -1.300
  467    HE2  HIS  72           HE2      HIS  72 -13.380   6.673  -3.704
  468    H    ALA  73           HN       ALA  73 -14.987   0.611  -0.794
  469    HA   ALA  73           HA       ALA  73 -17.066   2.282  -1.586
  470   1HB   ALA  73          HB1       ALA  73 -17.991  -0.125  -0.236
  471   2HB   ALA  73          HB2       ALA  73 -16.692  -0.435  -1.387
  472   3HB   ALA  73          HB3       ALA  73 -18.168   0.369  -1.919
  Start of MODEL   15
    1   1H    GLU   1           HT1      GLU   1  -1.796   7.782  10.609
    2   2H    GLU   1           HT2      GLU   1  -1.655   6.898   9.144
    3   3H    GLU   1           HT3      GLU   1  -0.658   8.267   9.423
    4    HA   GLU   1           HA       GLU   1   0.774   7.165  10.634
    5   1HB   GLU   1          HB2       GLU   1  -0.037   5.295  12.185
    6   2HB   GLU   1          HB1       GLU   1  -0.580   6.927  12.546
    7   1HG   GLU   1          HG2       GLU   1  -2.527   5.920  10.852
    8   2HG   GLU   1          HG1       GLU   1  -2.113   4.566  11.901
    9    H    ALA   2           HN       ALA   2  -1.747   4.926   9.469
   10    HA   ALA   2           HA       ALA   2   0.099   2.879   8.768
   11   1HB   ALA   2          HB1       ALA   2  -2.136   2.355   7.274
   12   2HB   ALA   2          HB2       ALA   2  -2.784   3.301   8.615
   13   3HB   ALA   2          HB3       ALA   2  -1.867   1.829   8.936
   14    H    GLY   3           HN       GLY   3  -2.159   3.967   6.329
   15   1HA   GLY   3          HA2       GLY   3   0.140   4.429   4.538
   16   2HA   GLY   3          HA1       GLY   3  -1.414   3.800   4.010
   17    H    GLU   4           HN       GLU   4  -2.184   5.366   2.603
   18    HA   GLU   4           HA       GLU   4  -2.929   7.375   1.854
   19   1HB   GLU   4          HB2       GLU   4  -3.246   7.818   4.824
   20   2HB   GLU   4          HB1       GLU   4  -3.861   8.923   3.603
   21   1HG   GLU   4          HG2       GLU   4  -4.677   6.060   4.028
   22   2HG   GLU   4          HG1       GLU   4  -5.636   7.502   4.359
   23    H    GLU   5           HN       GLU   5  -1.421   8.560   4.841
   24    HA   GLU   5           HA       GLU   5  -0.121  10.697   3.497
   25   1HB   GLU   5          HB2       GLU   5   0.199   9.581   6.284
   26   2HB   GLU   5          HB1       GLU   5   1.028  11.023   5.714
   27   1HG   GLU   5          HG2       GLU   5  -1.251  11.972   5.190
   28   2HG   GLU   5          HG1       GLU   5  -1.921  10.610   6.087
   29    H    CYS   6           HN       CYS   6   1.262   9.975   1.933
   30    HA   CYS   6           HA       CYS   6   3.899   9.439   2.603
   31   1HB   CYS   6          HB2       CYS   6   3.177   7.243   3.331
   32   2HB   CYS   6          HB1       CYS   6   2.367   6.963   1.796
   33    H    ASP   7           HN       ASP   7   4.293  10.923   1.033
   34    HA   ASP   7           HA       ASP   7   3.333  10.527  -1.670
   35   1HB   ASP   7          HB2       ASP   7   5.179  12.617  -0.494
   36   2HB   ASP   7          HB1       ASP   7   4.592  12.617  -2.155
   37    H    CYS   8           HN       CYS   8   4.850   8.374  -0.874
   38    HA   CYS   8           HA       CYS   8   7.376   8.735  -2.322
   39   1HB   CYS   8          HB2       CYS   8   6.615   7.014  -0.007
   40   2HB   CYS   8          HB1       CYS   8   7.866   6.479  -1.092
   41    H    GLY   9           HN       GLY   9   4.499   6.661  -2.053
   42   1HA   GLY   9          HA2       GLY   9   4.917   5.788  -4.769
   43   2HA   GLY   9          HA1       GLY   9   5.181   4.519  -3.592
   44    H    SER  10           HN       SER  10   3.488   3.261  -4.378
   45    HA   SER  10           HA       SER  10   0.932   3.777  -3.255
   46   1HB   SER  10          HB2       SER  10   0.901   3.683  -6.263
   47   2HB   SER  10          HB1       SER  10  -0.366   4.230  -5.166
   48    HG   SER  10           HG       SER  10   1.998   5.551  -5.925
   49    HA   PRO  11           HA       PRO  11   0.165  -0.527  -3.806
   50   1HB   PRO  11          HB2       PRO  11  -1.847  -0.284  -5.964
   51   2HB   PRO  11          HB1       PRO  11  -2.011  -0.980  -4.349
   52   1HG   PRO  11          HG2       PRO  11  -3.127   1.369  -4.955
   53   2HG   PRO  11          HG1       PRO  11  -2.412   1.075  -3.359
   54   1HD   PRO  11          HD2       PRO  11  -1.290   2.581  -5.692
   55   2HD   PRO  11          HD1       PRO  11  -1.237   2.983  -3.965
   56    H    GLY  12           HN       GLY  12   2.157  -1.065  -4.688
   57   1HA   GLY  12          HA2       GLY  12   2.870  -2.660  -6.454
   58   2HA   GLY  12          HA1       GLY  12   2.119  -1.564  -7.610
   59    H    ASN  13           HN       ASN  13   3.115   0.664  -5.804
   60    HA   ASN  13           HA       ASN  13   5.898   0.708  -6.755
   61   1HB   ASN  13          HB2       ASN  13   4.250   3.183  -6.266
   62   2HB   ASN  13          HB1       ASN  13   5.719   3.014  -7.222
   63   1HD2  ASN  13          HD21      ASN  13   5.598   2.257  -9.308
   64   2HD2  ASN  13          HD22      ASN  13   4.103   2.091 -10.158
   65    HA   PRO  14           HA       PRO  14   5.629   0.025  -2.057
   66   1HB   PRO  14          HB2       PRO  14   8.480   0.059  -2.927
   67   2HB   PRO  14          HB1       PRO  14   7.647  -1.071  -1.859
   68   1HG   PRO  14          HG2       PRO  14   8.111  -1.356  -4.659
   69   2HG   PRO  14          HG1       PRO  14   7.195  -2.442  -3.610
   70   1HD   PRO  14          HD2       PRO  14   6.106  -0.973  -5.672
   71   2HD   PRO  14          HD1       PRO  14   5.183  -1.545  -4.263
   72    H    CYS  15           HN       CYS  15   4.973   2.009  -1.398
   73    HA   CYS  15           HA       CYS  15   5.681   4.492  -1.820
   74   1HB   CYS  15          HB2       CYS  15   4.586   3.158   0.391
   75   2HB   CYS  15          HB1       CYS  15   5.861   4.192   1.030
   76    H    CYS  16           HN       CYS  16   7.698   4.830  -2.595
   77    HA   CYS  16           HA       CYS  16   9.676   5.893  -2.287
   78   1HB   CYS  16          HB2       CYS  16   9.013   5.428   0.420
   79   2HB   CYS  16          HB1       CYS  16  10.696   4.981   0.191
   80    H    ASP  17           HN       ASP  17   9.394   3.549  -3.637
   81    HA   ASP  17           HA       ASP  17  11.431   1.674  -2.882
   82   1HB   ASP  17          HB2       ASP  17  11.009   0.889  -5.325
   83   2HB   ASP  17          HB1       ASP  17   9.734   0.678  -4.132
   84    H    ALA  18           HN       ALA  18  11.431   4.697  -4.401
   85    HA   ALA  18           HA       ALA  18  13.224   5.959  -5.100
   86   1HB   ALA  18          HB1       ALA  18  15.370   5.234  -4.854
   87   2HB   ALA  18          HB2       ALA  18  15.014   3.620  -5.470
   88   3HB   ALA  18          HB3       ALA  18  14.555   4.056  -3.824
   89    H    ALA  19           HN       ALA  19  12.678   2.841  -6.622
   90    HA   ALA  19           HA       ALA  19  12.100   3.967  -9.146
   91   1HB   ALA  19          HB1       ALA  19  14.800   3.735  -8.696
   92   2HB   ALA  19          HB2       ALA  19  14.021   3.824 -10.276
   93   3HB   ALA  19          HB3       ALA  19  14.416   2.255  -9.574
   94    H    THR  20           HN       THR  20  12.999   1.181  -7.213
   95    HA   THR  20           HA       THR  20  10.859  -0.361  -8.428
   96    HB   THR  20           HB       THR  20  13.554  -1.671  -8.200
   97    HG1  THR  20           HG1      THR  20  12.598  -0.038 -10.276
   98   1HG2  THR  20          HG21      THR  20  11.985  -3.315  -8.563
   99   2HG2  THR  20          HG22      THR  20  12.521  -2.937 -10.200
  100   3HG2  THR  20          HG23      THR  20  10.995  -2.288  -9.600
  101    H    CYS  21           HN       CYS  21   9.975  -1.850  -7.023
  102    HA   CYS  21           HA       CYS  21   9.860  -1.516  -4.399
  103   1HB   CYS  21          HB2       CYS  21  10.080  -4.327  -5.479
  104   2HB   CYS  21          HB1       CYS  21   9.119  -3.769  -4.115
  105    H    LYS  22           HN       LYS  22  11.702  -0.797  -3.395
  106    HA   LYS  22           HA       LYS  22  13.379  -2.779  -2.242
  107   1HB   LYS  22          HB2       LYS  22  14.268  -2.313  -4.669
  108   2HB   LYS  22          HB1       LYS  22  14.951  -0.875  -3.924
  109   1HG   LYS  22          HG2       LYS  22  15.776  -2.707  -2.159
  110   2HG   LYS  22          HG1       LYS  22  15.693  -3.713  -3.607
  111   1HD   LYS  22          HD2       LYS  22  17.272  -2.418  -4.740
  112   2HD   LYS  22          HD1       LYS  22  17.065  -1.046  -3.650
  113   1HE   LYS  22          HE2       LYS  22  18.053  -3.624  -2.535
  114   2HE   LYS  22          HE1       LYS  22  19.164  -2.632  -3.479
  115   1HZ   LYS  22          HZ1       LYS  22  19.012  -2.287  -0.945
  116   2HZ   LYS  22          HZ2       LYS  22  17.600  -1.425  -1.295
  117   3HZ   LYS  22          HZ3       LYS  22  19.077  -0.927  -1.950
  118    H    LEU  23           HN       LEU  23  11.700  -0.388  -1.532
  119    HA   LEU  23           HA       LEU  23  13.417   1.674  -0.629
  120   1HB   LEU  23          HB2       LEU  23  11.524   2.602   0.414
  121   2HB   LEU  23          HB1       LEU  23  10.938   1.837  -1.050
  122    HG   LEU  23           HG       LEU  23  10.628   0.835   1.777
  123   1HD1  LEU  23          HD11      LEU  23   8.178   0.865   0.761
  124   2HD1  LEU  23          HD12      LEU  23   8.890   2.126  -0.244
  125   3HD1  LEU  23          HD13      LEU  23   8.901   2.287   1.513
  126   1HD2  LEU  23          HD21      LEU  23   9.348  -1.024   0.728
  127   2HD2  LEU  23          HD22      LEU  23  11.081  -1.084   0.420
  128   3HD2  LEU  23          HD23      LEU  23   9.983  -0.518  -0.836
  129    H    ARG  24           HN       ARG  24  14.696   1.762   1.084
  130    HA   ARG  24           HA       ARG  24  14.855  -0.453   2.902
  131   1HB   ARG  24          HB2       ARG  24  16.311   2.167   3.187
  132   2HB   ARG  24          HB1       ARG  24  16.805   0.580   3.762
  133   1HG   ARG  24          HG2       ARG  24  17.085  -0.148   1.423
  134   2HG   ARG  24          HG1       ARG  24  16.673   1.484   0.893
  135   1HD   ARG  24          HD2       ARG  24  18.742   1.525   2.908
  136   2HD   ARG  24          HD1       ARG  24  19.203   0.511   1.542
  137    HE   ARG  24           HE       ARG  24  18.272   2.767   0.365
  138   1HH1  ARG  24          HH11      ARG  24  20.641   2.146   2.841
  139   2HH1  ARG  24          HH12      ARG  24  21.614   3.521   2.436
  140   1HH2  ARG  24          HH21      ARG  24  19.546   4.579  -0.178
  141   2HH2  ARG  24          HH22      ARG  24  20.991   4.905   0.720
  142    H    GLN  25           HN       GLN  25  12.710   1.968   2.782
  143    HA   GLN  25           HA       GLN  25  12.639   2.405   5.687
  144   1HB   GLN  25          HB2       GLN  25  12.608   4.351   4.001
  145   2HB   GLN  25          HB1       GLN  25  10.953   3.862   3.665
  146   1HG   GLN  25          HG2       GLN  25  11.144   5.705   5.302
  147   2HG   GLN  25          HG1       GLN  25  10.295   4.289   5.920
  148   1HE2  GLN  25          HE21      GLN  25  10.899   3.550   7.825
  149   2HE2  GLN  25          HE22      GLN  25  12.393   3.896   8.622
  150    H    GLY  26           HN       GLY  26  11.547   0.168   3.720
  151   1HA   GLY  26          HA2       GLY  26   9.586  -1.049   3.469
  152   2HA   GLY  26          HA1       GLY  26   9.713  -1.060   5.221
  153    H    ALA  27           HN       ALA  27   8.030   0.172   2.478
  154    HA   ALA  27           HA       ALA  27   6.324   1.843   4.162
  155   1HB   ALA  27          HB1       ALA  27   6.538   1.661   1.156
  156   2HB   ALA  27          HB2       ALA  27   7.207   2.930   2.183
  157   3HB   ALA  27          HB3       ALA  27   5.460   2.734   2.045
  158    H    GLN  28           HN       GLN  28   5.784  -0.579   4.883
  159    HA   GLN  28           HA       GLN  28   4.087  -2.171   3.331
  160   1HB   GLN  28          HB2       GLN  28   3.805  -1.985   6.302
  161   2HB   GLN  28          HB1       GLN  28   3.646  -3.387   5.259
  162   1HG   GLN  28          HG2       GLN  28   5.748  -3.901   5.506
  163   2HG   GLN  28          HG1       GLN  28   6.283  -2.294   5.056
  164   1HE2  GLN  28          HE21      GLN  28   6.430  -0.690   6.713
  165   2HE2  GLN  28          HE22      GLN  28   6.699  -1.154   8.355
  166    H    CYS  29           HN       CYS  29   2.191  -1.562   2.489
  167    HA   CYS  29           HA       CYS  29   0.125  -0.628   2.238
  168   1HB   CYS  29          HB2       CYS  29   0.162  -1.296   5.177
  169   2HB   CYS  29          HB1       CYS  29  -1.242  -0.540   4.433
  170    H    ALA  30           HN       ALA  30   2.043   1.181   2.147
  171    HA   ALA  30           HA       ALA  30   1.544   3.321   4.027
  172   1HB   ALA  30          HB1       ALA  30   3.177   3.612   1.532
  173   2HB   ALA  30          HB2       ALA  30   3.797   2.723   2.922
  174   3HB   ALA  30          HB3       ALA  30   3.368   4.426   3.084
  175    H    GLU  31           HN       GLU  31   2.035   5.154   1.468
  176    HA   GLU  31           HA       GLU  31  -0.691   5.929   1.152
  177   1HB   GLU  31          HB2       GLU  31   0.956   7.635   0.808
  178   2HB   GLU  31          HB1       GLU  31   1.842   6.642  -0.342
  179   1HG   GLU  31          HG2       GLU  31   0.715   7.544  -2.008
  180   2HG   GLU  31          HG1       GLU  31  -0.801   6.972  -1.315
  181    H    GLY  32           HN       GLY  32  -1.141   3.545   0.745
  182   1HA   GLY  32          HA2       GLY  32  -2.370   2.424  -0.970
  183   2HA   GLY  32          HA1       GLY  32  -1.245   3.089  -2.150
  184    H    LEU  33           HN       LEU  33  -1.937   0.291  -1.725
  185    HA   LEU  33           HA       LEU  33  -0.366  -1.250  -0.233
  186   1HB   LEU  33          HB2       LEU  33  -1.798  -1.625  -2.593
  187   2HB   LEU  33          HB1       LEU  33  -0.207  -2.297  -2.908
  188    HG   LEU  33           HG       LEU  33  -2.001  -3.859  -1.960
  189   1HD1  LEU  33          HD11      LEU  33  -0.371  -5.205  -1.114
  190   2HD1  LEU  33          HD12      LEU  33   0.392  -3.904  -0.208
  191   3HD1  LEU  33          HD13      LEU  33   0.634  -4.025  -1.952
  192   1HD2  LEU  33          HD21      LEU  33  -1.291  -3.266   0.763
  193   2HD2  LEU  33          HD22      LEU  33  -2.888  -3.457   0.039
  194   3HD2  LEU  33          HD23      LEU  33  -2.090  -1.884   0.014
  195    H    CYS  34           HN       CYS  34   1.549  -2.561  -0.707
  196    HA   CYS  34           HA       CYS  34   3.700  -1.056  -2.024
  197   1HB   CYS  34          HB2       CYS  34   3.763  -0.843   0.462
  198   2HB   CYS  34          HB1       CYS  34   3.905  -2.588   0.578
  199    H    CYS  35           HN       CYS  35   5.572  -2.426  -2.669
  200    HA   CYS  35           HA       CYS  35   4.748  -5.206  -3.120
  201   1HB   CYS  35          HB2       CYS  35   4.543  -4.665  -5.297
  202   2HB   CYS  35          HB1       CYS  35   5.409  -3.154  -5.092
  203    H    ASP  36           HN       ASP  36   7.106  -3.168  -1.910
  204    HA   ASP  36           HA       ASP  36   9.349  -4.925  -2.454
  205   1HB   ASP  36          HB2       ASP  36   9.400  -2.347  -2.301
  206   2HB   ASP  36          HB1       ASP  36   9.396  -2.594  -0.558
  207    H    GLN  37           HN       GLN  37  10.859  -5.217  -0.402
  208    HA   GLN  37           HA       GLN  37   9.768  -7.185   1.182
  209   1HB   GLN  37          HB2       GLN  37  12.039  -5.378   2.019
  210   2HB   GLN  37          HB1       GLN  37  11.748  -7.032   2.539
  211   1HG   GLN  37          HG2       GLN  37  12.767  -7.895   0.754
  212   2HG   GLN  37          HG1       GLN  37  11.998  -6.757  -0.351
  213   1HE2  GLN  37          HE21      GLN  37  14.508  -7.385  -0.897
  214   2HE2  GLN  37          HE22      GLN  37  15.590  -6.100  -0.495
  215    H    CYS  38           HN       CYS  38   9.459  -3.790   1.382
  216    HA   CYS  38           HA       CYS  38   9.134  -2.802   3.740
  217   1HB   CYS  38          HB2       CYS  38   6.775  -1.969   3.093
  218   2HB   CYS  38          HB1       CYS  38   8.102  -1.584   2.003
  219    H    ARG  39           HN       ARG  39   6.669  -5.041   2.581
  220    HA   ARG  39           HA       ARG  39   5.837  -6.887   3.767
  221   1HB   ARG  39          HB2       ARG  39   6.337  -5.273   6.287
  222   2HB   ARG  39          HB1       ARG  39   5.620  -6.869   6.219
  223   1HG   ARG  39          HG2       ARG  39   8.428  -6.133   5.437
  224   2HG   ARG  39          HG1       ARG  39   7.924  -7.044   6.860
  225   1HD   ARG  39          HD2       ARG  39   6.776  -8.517   4.916
  226   2HD   ARG  39          HD1       ARG  39   8.183  -7.901   4.050
  227    HE   ARG  39           HE       ARG  39   9.540  -9.205   5.373
  228   1HH1  ARG  39          HH11      ARG  39   6.313  -9.155   6.679
  229   2HH1  ARG  39          HH12      ARG  39   6.617 -10.419   7.824
  230   1HH2  ARG  39          HH21      ARG  39   9.952 -10.871   6.875
  231   2HH2  ARG  39          HH22      ARG  39   8.686 -11.395   7.935
  232    H    PHE  40           HN       PHE  40   3.787  -6.704   5.631
  233    HA   PHE  40           HA       PHE  40   2.168  -4.412   4.979
  234   1HB   PHE  40          HB2       PHE  40   1.222  -7.101   4.001
  235   2HB   PHE  40          HB1       PHE  40   0.496  -5.521   3.703
  236    HD1  PHE  40           HD1      PHE  40   1.331  -4.067   2.011
  237    HD2  PHE  40           HD2      PHE  40   3.337  -7.715   2.892
  238    HE1  PHE  40           HE1      PHE  40   2.695  -3.805  -0.006
  239    HE2  PHE  40           HE2      PHE  40   4.705  -7.454   0.873
  240    HZ   PHE  40           HZ       PHE  40   4.390  -5.493  -0.581
  241    H    MET  41           HN       MET  41   0.258  -4.239   6.133
  242    HA   MET  41           HA       MET  41   0.346  -5.128   8.749
  243   1HB   MET  41          HB2       MET  41  -0.803  -3.096   8.062
  244   2HB   MET  41          HB1       MET  41  -2.002  -4.043   7.193
  245   1HG   MET  41          HG2       MET  41  -3.195  -3.775   9.068
  246   2HG   MET  41          HG1       MET  41  -2.227  -5.131   9.643
  247   1HE   MET  41          HE1       MET  41  -3.296  -2.340  12.085
  248   2HE   MET  41          HE2       MET  41  -3.818  -2.388  10.401
  249   3HE   MET  41          HE3       MET  41  -2.790  -1.072  10.968
  250    H    LYS  42           HN       LYS  42  -2.817  -5.664   7.553
  251    HA   LYS  42           HA       LYS  42  -3.184  -8.171   6.815
  252   1HB   LYS  42          HB2       LYS  42  -1.976  -8.194   9.486
  253   2HB   LYS  42          HB1       LYS  42  -3.485  -9.089   9.408
  254   1HG   LYS  42          HG2       LYS  42  -1.056  -9.535   7.689
  255   2HG   LYS  42          HG1       LYS  42  -1.623 -10.565   9.006
  256   1HD   LYS  42          HD2       LYS  42  -3.814 -10.705   7.653
  257   2HD   LYS  42          HD1       LYS  42  -2.841 -10.110   6.307
  258   1HE   LYS  42          HE2       LYS  42  -2.069 -12.161   5.946
  259   2HE   LYS  42          HE1       LYS  42  -1.412 -12.210   7.581
  260   1HZ   LYS  42          HZ1       LYS  42  -4.001 -12.688   8.039
  261   2HZ   LYS  42          HZ2       LYS  42  -2.845 -13.902   7.813
  262   3HZ   LYS  42          HZ3       LYS  42  -3.821 -13.415   6.521
  263    H    GLU  43           HN       GLU  43  -3.936  -5.718   9.060
  264    HA   GLU  43           HA       GLU  43  -6.787  -6.434   9.022
  265   1HB   GLU  43          HB2       GLU  43  -5.507  -6.089  11.244
  266   2HB   GLU  43          HB1       GLU  43  -5.561  -4.380  10.839
  267   1HG   GLU  43          HG2       GLU  43  -8.121  -5.832  10.697
  268   2HG   GLU  43          HG1       GLU  43  -7.427  -5.621  12.304
  269    H    GLY  44           HN       GLY  44  -8.237  -5.027   8.185
  270   1HA   GLY  44          HA2       GLY  44  -7.913  -3.502   6.096
  271   2HA   GLY  44          HA1       GLY  44  -9.039  -2.995   7.338
  272    H    THR  45           HN       THR  45  -5.763  -2.604   6.070
  273    HA   THR  45           HA       THR  45  -5.564  -0.138   7.656
  274    HB   THR  45           HB       THR  45  -3.412  -1.431   6.008
  275    HG1  THR  45           HG1      THR  45  -4.448  -2.461   8.093
  276   1HG2  THR  45          HG21      THR  45  -2.036   0.164   6.674
  277   2HG2  THR  45          HG22      THR  45  -2.613   0.063   8.339
  278   3HG2  THR  45          HG23      THR  45  -3.475   1.058   7.165
  279    H    ILE  46           HN       ILE  46  -4.294  -0.922   4.486
  280    HA   ILE  46           HA       ILE  46  -6.042   0.793   3.073
  281    HB   ILE  46           HB       ILE  46  -3.628   2.008   4.164
  282   1HG1  ILE  46          HG12      ILE  46  -5.076   3.970   2.929
  283   2HG1  ILE  46          HG11      ILE  46  -6.303   2.737   3.196
  284   1HG2  ILE  46          HG21      ILE  46  -3.932   1.918   1.204
  285   2HG2  ILE  46          HG22      ILE  46  -2.470   1.909   2.188
  286   3HG2  ILE  46          HG23      ILE  46  -3.373   3.407   1.965
  287   1HD1  ILE  46          HD11      ILE  46  -5.345   4.627   5.017
  288   2HD1  ILE  46          HD12      ILE  46  -4.729   3.067   5.562
  289   3HD1  ILE  46          HD13      ILE  46  -6.461   3.297   5.325
  290    H    CYS  47           HN       CYS  47  -6.295  -0.874   1.642
  291    HA   CYS  47           HA       CYS  47  -3.928  -1.863   0.255
  292   1HB   CYS  47          HB2       CYS  47  -5.007  -3.818   0.336
  293   2HB   CYS  47          HB1       CYS  47  -6.415  -3.035   1.023
  294    H    ARG  48           HN       ARG  48  -5.483   0.780   0.029
  295    HA   ARG  48           HA       ARG  48  -6.771   1.732  -1.869
  296   1HB   ARG  48          HB2       ARG  48  -3.802   2.219  -2.063
  297   2HB   ARG  48          HB1       ARG  48  -5.066   3.295  -2.625
  298   1HG   ARG  48          HG2       ARG  48  -5.510   2.730   0.131
  299   2HG   ARG  48          HG1       ARG  48  -3.826   3.202  -0.095
  300   1HD   ARG  48          HD2       ARG  48  -5.787   4.972   0.288
  301   2HD   ARG  48          HD1       ARG  48  -4.351   5.324  -0.670
  302    HE   ARG  48           HE       ARG  48  -6.624   4.246  -2.119
  303   1HH1  ARG  48          HH11      ARG  48  -4.850   7.069  -1.107
  304   2HH1  ARG  48          HH12      ARG  48  -5.491   8.080  -2.359
  305   1HH2  ARG  48          HH21      ARG  48  -7.471   5.571  -3.774
  306   2HH2  ARG  48          HH22      ARG  48  -6.980   7.228  -3.874
  307    H    ARG  49           HN       ARG  49  -7.541   1.078  -3.752
  308    HA   ARG  49           HA       ARG  49  -5.920  -0.620  -5.474
  309   1HB   ARG  49          HB2       ARG  49  -8.015  -0.926  -6.757
  310   2HB   ARG  49          HB1       ARG  49  -8.192  -1.351  -5.060
  311   1HG   ARG  49          HG2       ARG  49  -9.836   0.110  -4.801
  312   2HG   ARG  49          HG1       ARG  49  -8.855   1.414  -5.473
  313   1HD   ARG  49          HD2       ARG  49  -9.622   1.058  -7.626
  314   2HD   ARG  49          HD1       ARG  49 -10.090  -0.608  -7.292
  315    HE   ARG  49           HE       ARG  49 -11.735   0.882  -5.711
  316   1HH1  ARG  49          HH11      ARG  49 -10.998   0.821  -9.114
  317   2HH1  ARG  49          HH12      ARG  49 -12.571   1.364  -9.597
  318   1HH2  ARG  49          HH21      ARG  49 -13.810   1.597  -6.335
  319   2HH2  ARG  49          HH22      ARG  49 -14.169   1.806  -8.017
  320    H    ALA  50           HN       ALA  50  -6.812   2.626  -5.168
  321    HA   ALA  50           HA       ALA  50  -5.431   3.299  -7.620
  322   1HB   ALA  50          HB1       ALA  50  -7.224   3.614  -8.889
  323   2HB   ALA  50          HB2       ALA  50  -7.743   4.885  -7.783
  324   3HB   ALA  50          HB3       ALA  50  -8.294   3.227  -7.542
  325    H    ARG  51           HN       ARG  51  -5.656   5.864  -7.881
  326    HA   ARG  51           HA       ARG  51  -5.586   7.133  -5.243
  327   1HB   ARG  51          HB2       ARG  51  -3.473   8.365  -6.439
  328   2HB   ARG  51          HB1       ARG  51  -3.334   7.042  -5.289
  329   1HG   ARG  51          HG2       ARG  51  -3.339   5.463  -7.222
  330   2HG   ARG  51          HG1       ARG  51  -3.261   6.865  -8.290
  331   1HD   ARG  51          HD2       ARG  51  -1.272   6.789  -6.115
  332   2HD   ARG  51          HD1       ARG  51  -1.093   5.556  -7.363
  333    HE   ARG  51           HE       ARG  51  -1.436   8.253  -8.346
  334   1HH1  ARG  51          HH11      ARG  51   0.810   5.777  -7.371
  335   2HH1  ARG  51          HH12      ARG  51   2.135   6.445  -8.264
  336   1HH2  ARG  51          HH21      ARG  51   0.302   9.141  -9.527
  337   2HH2  ARG  51          HH22      ARG  51   1.846   8.358  -9.490
  338    H    GLY  52           HN       GLY  52  -4.295   8.546  -8.173
  339   1HA   GLY  52          HA2       GLY  52  -4.878  10.581  -9.129
  340   2HA   GLY  52          HA1       GLY  52  -6.344   9.677  -9.477
  341    H    ASP  53           HN       ASP  53  -8.207  10.094  -8.327
  342    HA   ASP  53           HA       ASP  53  -8.104  12.039  -6.155
  343   1HB   ASP  53          HB2       ASP  53  -9.465  12.483  -8.798
  344   2HB   ASP  53          HB1       ASP  53 -10.071  13.252  -7.334
  345    H    ASP  54           HN       ASP  54  -8.878   9.144  -6.735
  346    HA   ASP  54           HA       ASP  54 -11.079   9.040  -4.943
  347   1HB   ASP  54          HB2       ASP  54 -11.599   8.650  -7.875
  348   2HB   ASP  54          HB1       ASP  54 -12.556   7.781  -6.679
  349    H    LEU  55           HN       LEU  55 -12.089   6.583  -5.318
  350    HA   LEU  55           HA       LEU  55 -11.697   4.345  -5.148
  351   1HB   LEU  55          HB2       LEU  55  -9.035   4.960  -6.431
  352   2HB   LEU  55          HB1       LEU  55  -9.736   3.366  -6.231
  353    HG   LEU  55           HG       LEU  55 -10.237   3.787  -8.431
  354   1HD1  LEU  55          HD11      LEU  55 -12.539   4.006  -8.600
  355   2HD1  LEU  55          HD12      LEU  55 -12.624   5.188  -7.294
  356   3HD1  LEU  55          HD13      LEU  55 -12.313   3.491  -6.928
  357   1HD2  LEU  55          HD21      LEU  55 -11.263   6.512  -8.289
  358   2HD2  LEU  55          HD22      LEU  55 -10.106   5.792  -9.408
  359   3HD2  LEU  55          HD23      LEU  55  -9.564   6.379  -7.836
  360    H    ASP  56           HN       ASP  56 -10.783   2.920  -3.668
  361    HA   ASP  56           HA       ASP  56  -8.445   3.573  -2.153
  362   1HB   ASP  56          HB2       ASP  56 -10.987   3.547  -0.549
  363   2HB   ASP  56          HB1       ASP  56  -9.386   4.095  -0.065
  364    H    ASP  57           HN       ASP  57  -8.868   2.091   0.109
  365    HA   ASP  57           HA       ASP  57 -10.201  -0.300  -0.035
  366   1HB   ASP  57          HB2       ASP  57  -8.344  -0.262  -2.084
  367   2HB   ASP  57          HB1       ASP  57  -7.540  -1.178  -0.818
  368    H    TYR  58           HN       TYR  58  -9.508  -1.874   1.530
  369    HA   TYR  58           HA       TYR  58  -7.655  -0.743   3.516
  370   1HB   TYR  58          HB2       TYR  58 -10.167  -2.350   3.781
  371   2HB   TYR  58          HB1       TYR  58  -8.966  -2.369   5.069
  372    HD1  TYR  58           HD1      TYR  58  -8.261  -0.127   6.074
  373    HD2  TYR  58           HD2      TYR  58 -11.699  -0.581   3.610
  374    HE1  TYR  58           HE1      TYR  58  -9.155   1.992   6.941
  375    HE2  TYR  58           HE2      TYR  58 -12.604   1.536   4.471
  376    HH   TYR  58           HH       TYR  58 -11.623   3.671   5.512
  377    H    CYS  59           HN       CYS  59  -6.054  -1.938   4.379
  378    HA   CYS  59           HA       CYS  59  -5.116  -4.156   2.879
  379   1HB   CYS  59          HB2       CYS  59  -4.120  -2.616   5.201
  380   2HB   CYS  59          HB1       CYS  59  -3.347  -4.133   4.805
  381    H    ASN  60           HN       ASN  60  -5.341  -6.221   3.177
  382    HA   ASN  60           HA       ASN  60  -5.643  -7.457   5.758
  383   1HB   ASN  60          HB2       ASN  60  -7.891  -7.398   3.760
  384   2HB   ASN  60          HB1       ASN  60  -7.686  -8.782   4.827
  385   1HD2  ASN  60          HD21      ASN  60  -7.905  -5.257   4.881
  386   2HD2  ASN  60          HD22      ASN  60  -8.772  -5.171   6.363
  387    H    GLY  61           HN       GLY  61  -4.471  -9.342   5.666
  388   1HA   GLY  61          HA2       GLY  61  -3.049 -10.895   4.658
  389   2HA   GLY  61          HA1       GLY  61  -4.491 -11.279   3.717
  390    H    ILE  62           HN       ILE  62  -2.954  -8.203   3.752
  391    HA   ILE  62           HA       ILE  62  -2.629  -8.219   0.889
  392    HB   ILE  62           HB       ILE  62  -1.813  -5.801   1.425
  393   1HG1  ILE  62          HG12      ILE  62  -2.457  -4.852   3.442
  394   2HG1  ILE  62          HG11      ILE  62  -3.540  -6.161   3.847
  395   1HG2  ILE  62          HG21      ILE  62  -3.760  -5.763   0.305
  396   2HG2  ILE  62          HG22      ILE  62  -4.401  -5.313   1.875
  397   3HG2  ILE  62          HG23      ILE  62  -4.509  -6.982   1.334
  398   1HD1  ILE  62          HD11      ILE  62  -0.737  -6.935   3.738
  399   2HD1  ILE  62          HD12      ILE  62  -1.959  -7.251   4.962
  400   3HD1  ILE  62          HD13      ILE  62  -1.107  -5.710   4.941
  401    H    SER  63           HN       SER  63  -0.700  -9.930   1.388
  402    HA   SER  63           HA       SER  63   1.771  -8.690   2.127
  403   1HB   SER  63          HB2       SER  63   2.818 -10.758   1.380
  404   2HB   SER  63          HB1       SER  63   1.407 -11.119   2.373
  405    HG   SER  63           HG       SER  63   0.688 -10.916  -0.206
  406    H    ALA  64           HN       ALA  64   0.996  -6.894   0.573
  407    HA   ALA  64           HA       ALA  64   1.742  -5.621  -1.161
  408   1HB   ALA  64          HB1       ALA  64   3.539  -7.749  -1.294
  409   2HB   ALA  64          HB2       ALA  64   3.646  -6.195  -2.113
  410   3HB   ALA  64          HB3       ALA  64   2.893  -7.563  -2.924
  411    H    GLY  65           HN       GLY  65  -0.677  -7.315  -0.883
  412   1HA   GLY  65          HA2       GLY  65  -1.583  -7.100  -3.677
  413   2HA   GLY  65          HA1       GLY  65  -1.937  -8.550  -2.748
  414    H    CYS  66           HN       CYS  66  -4.048  -8.524  -2.293
  415    HA   CYS  66           HA       CYS  66  -5.147  -6.511  -0.602
  416   1HB   CYS  66          HB2       CYS  66  -5.866  -6.522  -3.503
  417   2HB   CYS  66          HB1       CYS  66  -7.076  -6.071  -2.307
  418    HA   PRO  67           HA       PRO  67  -7.647  -9.884   0.724
  419   1HB   PRO  67          HB2       PRO  67  -9.865  -8.450   1.534
  420   2HB   PRO  67          HB1       PRO  67  -8.402  -8.663   2.500
  421   1HG   PRO  67          HG2       PRO  67  -9.202  -6.362   0.757
  422   2HG   PRO  67          HG1       PRO  67  -8.467  -6.336   2.370
  423   1HD   PRO  67          HD2       PRO  67  -6.995  -5.890   0.201
  424   2HD   PRO  67          HD1       PRO  67  -6.354  -6.856   1.548
  425    H    ARG  68           HN       ARG  68 -10.408 -10.013   0.681
  426    HA   ARG  68           HA       ARG  68 -11.188  -9.646  -2.120
  427   1HB   ARG  68          HB2       ARG  68 -11.695 -12.245  -0.682
  428   2HB   ARG  68          HB1       ARG  68 -11.906 -11.892  -2.392
  429   1HG   ARG  68          HG2       ARG  68  -9.660 -12.050  -2.844
  430   2HG   ARG  68          HG1       ARG  68  -9.191 -11.670  -1.186
  431   1HD   ARG  68          HD2       ARG  68  -9.640 -13.824  -0.433
  432   2HD   ARG  68          HD1       ARG  68 -10.683 -14.190  -1.807
  433    HE   ARG  68           HE       ARG  68  -7.821 -14.458  -1.677
  434   1HH1  ARG  68          HH11      ARG  68 -10.576 -14.065  -3.771
  435   2HH1  ARG  68          HH12      ARG  68  -9.789 -14.755  -5.151
  436   1HH2  ARG  68          HH21      ARG  68  -6.774 -15.367  -3.489
  437   2HH2  ARG  68          HH22      ARG  68  -7.627 -15.495  -4.991
  438    H    ASN  69           HN       ASN  69 -12.242  -7.892  -0.678
  439    HA   ASN  69           HA       ASN  69 -15.004  -8.626  -0.363
  440   1HB   ASN  69          HB2       ASN  69 -13.697  -7.467   2.088
  441   2HB   ASN  69          HB1       ASN  69 -15.273  -8.239   1.942
  442   1HD2  ASN  69          HD21      ASN  69 -11.807  -8.828   1.846
  443   2HD2  ASN  69          HD22      ASN  69 -11.889 -10.480   2.345
  444    HA   PRO  70           HA       PRO  70 -15.845  -4.376  -1.162
  445   1HB   PRO  70          HB2       PRO  70 -17.315  -3.941   1.355
  446   2HB   PRO  70          HB1       PRO  70 -17.900  -3.886  -0.310
  447   1HG   PRO  70          HG2       PRO  70 -18.560  -5.892   1.347
  448   2HG   PRO  70          HG1       PRO  70 -18.298  -6.160  -0.386
  449   1HD   PRO  70          HD2       PRO  70 -16.469  -6.725   1.918
  450   2HD   PRO  70          HD1       PRO  70 -16.791  -7.702   0.468
  451    H    PHE  71           HN       PHE  71 -15.097  -2.295  -0.807
  452    HA   PHE  71           HA       PHE  71 -13.768  -1.721   1.741
  453   1HB   PHE  71          HB2       PHE  71 -12.389  -1.101  -0.863
  454   2HB   PHE  71          HB1       PHE  71 -11.714  -1.101   0.762
  455    HD1  PHE  71           HD1      PHE  71 -12.021  -2.908  -2.236
  456    HD2  PHE  71           HD2      PHE  71 -11.722  -3.411   1.979
  457    HE1  PHE  71           HE1      PHE  71 -11.229  -5.213  -2.572
  458    HE2  PHE  71           HE2      PHE  71 -10.929  -5.717   1.652
  459    HZ   PHE  71           HZ       PHE  71 -10.680  -6.620  -0.626
  460    H    HIS  72           HN       HIS  72 -13.869  -0.132  -1.444
  461    HA   HIS  72           HA       HIS  72 -14.938   2.261  -0.115
  462   1HB   HIS  72          HB2       HIS  72 -12.923   2.846  -1.174
  463   2HB   HIS  72          HB1       HIS  72 -13.276   1.862  -2.590
  464    HD1  HIS  72           HD1      HIS  72 -14.709   2.913  -4.435
  465    HD2  HIS  72           HD2      HIS  72 -14.165   5.382  -1.137
  466    HE1  HIS  72           HE1      HIS  72 -15.523   5.182  -5.152
  467    HE2  HIS  72           HE2      HIS  72 -15.107   6.678  -3.168
  468    H    ALA  73           HN       ALA  73 -17.101   1.415  -0.148
  469    HA   ALA  73           HA       ALA  73 -18.335   1.156  -2.791
  470   1HB   ALA  73          HB1       ALA  73 -20.041   0.774  -0.440
  471   2HB   ALA  73          HB2       ALA  73 -18.667  -0.328  -0.532
  472   3HB   ALA  73          HB3       ALA  73 -19.821  -0.244  -1.863
  Start of MODEL   16
    1   1H    GLU   1           HT1      GLU   1  -1.531   4.441  13.430
    2   2H    GLU   1           HT2      GLU   1  -2.713   3.384  12.774
    3   3H    GLU   1           HT3      GLU   1  -3.197   4.773  13.660
    4    HA   GLU   1           HA       GLU   1  -3.415   5.735  11.731
    5   1HB   GLU   1          HB2       GLU   1  -0.464   5.624  12.232
    6   2HB   GLU   1          HB1       GLU   1  -1.057   6.385  10.762
    7   1HG   GLU   1          HG2       GLU   1  -1.465   7.206  13.606
    8   2HG   GLU   1          HG1       GLU   1  -0.842   8.147  12.251
    9    H    ALA   2           HN       ALA   2  -2.540   5.848   9.327
   10    HA   ALA   2           HA       ALA   2  -1.981   3.157   8.317
   11   1HB   ALA   2          HB1       ALA   2  -3.784   3.187   6.757
   12   2HB   ALA   2          HB2       ALA   2  -4.210   4.843   7.192
   13   3HB   ALA   2          HB3       ALA   2  -4.457   3.535   8.350
   14    H    GLY   3           HN       GLY   3  -2.623   4.076   5.574
   15   1HA   GLY   3          HA2       GLY   3  -0.048   5.190   4.970
   16   2HA   GLY   3          HA1       GLY   3  -1.307   4.786   3.815
   17    H    GLU   4           HN       GLU   4  -2.538   6.394   2.959
   18    HA   GLU   4           HA       GLU   4  -3.355   8.479   2.548
   19   1HB   GLU   4          HB2       GLU   4  -2.376   9.381   5.245
   20   2HB   GLU   4          HB1       GLU   4  -3.745   9.982   4.320
   21   1HG   GLU   4          HG2       GLU   4  -5.082   8.173   4.879
   22   2HG   GLU   4          HG1       GLU   4  -3.703   7.163   5.311
   23    H    GLU   5           HN       GLU   5  -0.386   8.858   4.501
   24    HA   GLU   5           HA       GLU   5   0.548  10.905   2.647
   25   1HB   GLU   5          HB2       GLU   5   1.664   9.913   5.274
   26   2HB   GLU   5          HB1       GLU   5   2.409  11.172   4.298
   27   1HG   GLU   5          HG2       GLU   5  -0.408  11.659   4.865
   28   2HG   GLU   5          HG1       GLU   5   0.599  11.562   6.309
   29    H    CYS   6           HN       CYS   6   2.232  10.691   1.283
   30    HA   CYS   6           HA       CYS   6   4.330   8.901   1.390
   31   1HB   CYS   6          HB2       CYS   6   2.608   7.137   1.176
   32   2HB   CYS   6          HB1       CYS   6   2.085   7.852  -0.345
   33    H    ASP   7           HN       ASP   7   5.815   9.573  -0.033
   34    HA   ASP   7           HA       ASP   7   4.878  11.137  -2.347
   35   1HB   ASP   7          HB2       ASP   7   7.160  11.606  -0.452
   36   2HB   ASP   7          HB1       ASP   7   7.208  12.262  -2.085
   37    H    CYS   8           HN       CYS   8   5.784   8.210  -1.876
   38    HA   CYS   8           HA       CYS   8   7.685   8.184  -4.122
   39   1HB   CYS   8          HB2       CYS   8   7.667   6.302  -1.767
   40   2HB   CYS   8          HB1       CYS   8   8.712   6.190  -3.168
   41    H    GLY   9           HN       GLY   9   4.622   7.293  -3.125
   42   1HA   GLY   9          HA2       GLY   9   3.166   6.260  -4.761
   43   2HA   GLY   9          HA1       GLY   9   4.505   5.220  -5.221
   44    H    SER  10           HN       SER  10   2.203   3.929  -4.745
   45    HA   SER  10           HA       SER  10   2.808   2.612  -2.230
   46   1HB   SER  10          HB2       SER  10   0.208   3.907  -2.889
   47   2HB   SER  10          HB1       SER  10   0.231   2.472  -1.864
   48    HG   SER  10           HG       SER  10   1.777   4.804  -1.398
   49    HA   PRO  11           HA       PRO  11   0.223  -0.636  -4.483
   50   1HB   PRO  11          HB2       PRO  11  -1.213   0.076  -6.667
   51   2HB   PRO  11          HB1       PRO  11  -1.842   0.181  -5.019
   52   1HG   PRO  11          HG2       PRO  11  -0.682   2.338  -6.743
   53   2HG   PRO  11          HG1       PRO  11  -2.126   2.385  -5.713
   54   1HD   PRO  11          HD2       PRO  11   0.239   3.429  -4.925
   55   2HD   PRO  11          HD1       PRO  11  -0.891   2.678  -3.780
   56    H    GLY  12           HN       GLY  12   2.190  -1.483  -5.111
   57   1HA   GLY  12          HA2       GLY  12   3.444  -2.464  -6.842
   58   2HA   GLY  12          HA1       GLY  12   2.722  -1.331  -7.980
   59    H    ASN  13           HN       ASN  13   3.387   0.716  -5.729
   60    HA   ASN  13           HA       ASN  13   6.217   1.076  -6.445
   61   1HB   ASN  13          HB2       ASN  13   4.278   3.339  -5.959
   62   2HB   ASN  13          HB1       ASN  13   5.895   3.428  -6.650
   63   1HD2  ASN  13          HD21      ASN  13   5.627   4.114  -8.657
   64   2HD2  ASN  13          HD22      ASN  13   4.550   3.427  -9.821
   65    HA   PRO  14           HA       PRO  14   5.274   0.222  -1.771
   66   1HB   PRO  14          HB2       PRO  14   8.170  -0.222  -2.234
   67   2HB   PRO  14          HB1       PRO  14   7.005  -1.243  -1.400
   68   1HG   PRO  14          HG2       PRO  14   7.905  -1.437  -4.113
   69   2HG   PRO  14          HG1       PRO  14   6.756  -2.484  -3.272
   70   1HD   PRO  14          HD2       PRO  14   6.085  -0.844  -5.364
   71   2HD   PRO  14          HD1       PRO  14   4.936  -1.351  -4.105
   72    H    CYS  15           HN       CYS  15   4.906   2.543  -1.522
   73    HA   CYS  15           HA       CYS  15   5.906   4.801  -1.613
   74   1HB   CYS  15          HB2       CYS  15   4.793   3.769   0.550
   75   2HB   CYS  15          HB1       CYS  15   6.422   3.907   1.188
   76    H    CYS  16           HN       CYS  16   7.782   4.255  -2.919
   77    HA   CYS  16           HA       CYS  16   9.928   5.008  -3.200
   78   1HB   CYS  16          HB2       CYS  16   9.838   5.139  -0.332
   79   2HB   CYS  16          HB1       CYS  16  11.364   4.464  -0.872
   80    H    ASP  17           HN       ASP  17  11.187   3.878  -4.335
   81    HA   ASP  17           HA       ASP  17  12.429   1.457  -3.551
   82   1HB   ASP  17          HB2       ASP  17  11.270   0.111  -5.455
   83   2HB   ASP  17          HB1       ASP  17  10.463   0.261  -3.896
   84    H    ALA  18           HN       ALA  18  11.586   3.775  -6.034
   85    HA   ALA  18           HA       ALA  18  13.019   4.760  -7.550
   86   1HB   ALA  18          HB1       ALA  18  14.855   2.404  -7.530
   87   2HB   ALA  18          HB2       ALA  18  14.883   3.536  -6.178
   88   3HB   ALA  18          HB3       ALA  18  15.216   4.107  -7.813
   89    H    ALA  19           HN       ALA  19  13.297   1.261  -7.922
   90    HA   ALA  19           HA       ALA  19  11.396   1.168 -10.054
   91   1HB   ALA  19          HB1       ALA  19  14.244   0.586 -10.809
   92   2HB   ALA  19          HB2       ALA  19  13.461   2.138 -11.111
   93   3HB   ALA  19          HB3       ALA  19  12.832   0.671 -11.863
   94    H    THR  20           HN       THR  20  12.309  -0.125  -7.446
   95    HA   THR  20           HA       THR  20  11.537  -2.783  -8.113
   96    HB   THR  20           HB       THR  20  13.640  -3.853  -7.224
   97    HG1  THR  20           HG1      THR  20  14.314  -1.510  -6.552
   98   1HG2  THR  20          HG21      THR  20  13.124  -3.606  -9.693
   99   2HG2  THR  20          HG22      THR  20  14.808  -3.882  -9.245
  100   3HG2  THR  20          HG23      THR  20  14.265  -2.262  -9.681
  101    H    CYS  21           HN       CYS  21  10.042  -2.764  -6.522
  102    HA   CYS  21           HA       CYS  21   9.845  -1.575  -4.162
  103   1HB   CYS  21          HB2       CYS  21   9.351  -4.547  -4.280
  104   2HB   CYS  21          HB1       CYS  21   8.460  -3.328  -3.380
  105    H    LYS  22           HN       LYS  22  11.831  -1.074  -3.203
  106    HA   LYS  22           HA       LYS  22  12.797  -3.001  -1.312
  107   1HB   LYS  22          HB2       LYS  22  14.095  -3.834  -3.111
  108   2HB   LYS  22          HB1       LYS  22  14.506  -2.216  -3.661
  109   1HG   LYS  22          HG2       LYS  22  16.395  -2.385  -2.521
  110   2HG   LYS  22          HG1       LYS  22  15.443  -2.359  -1.036
  111   1HD   LYS  22          HD2       LYS  22  16.171  -4.829  -2.610
  112   2HD   LYS  22          HD1       LYS  22  16.958  -4.291  -1.125
  113   1HE   LYS  22          HE2       LYS  22  14.009  -4.622  -1.080
  114   2HE   LYS  22          HE1       LYS  22  14.993  -6.084  -1.129
  115   1HZ   LYS  22          HZ1       LYS  22  14.736  -4.086   0.987
  116   2HZ   LYS  22          HZ2       LYS  22  16.251  -4.810   0.785
  117   3HZ   LYS  22          HZ3       LYS  22  14.893  -5.767   1.100
  118    H    LEU  23           HN       LEU  23  11.941  -1.133  -0.087
  119    HA   LEU  23           HA       LEU  23  13.914   1.042   0.107
  120   1HB   LEU  23          HB2       LEU  23  12.075   2.357   1.160
  121   2HB   LEU  23          HB1       LEU  23  11.814   1.961  -0.527
  122    HG   LEU  23           HG       LEU  23  10.588   0.347   1.704
  123   1HD1  LEU  23          HD11      LEU  23   8.821   2.150   0.289
  124   2HD1  LEU  23          HD12      LEU  23  10.032   2.997   1.251
  125   3HD1  LEU  23          HD13      LEU  23   8.958   1.824   2.016
  126   1HD2  LEU  23          HD21      LEU  23   9.693  -0.876   0.078
  127   2HD2  LEU  23          HD22      LEU  23  10.766  -0.048  -1.049
  128   3HD2  LEU  23          HD23      LEU  23   9.135   0.559  -0.776
  129    H    ARG  24           HN       ARG  24  14.497   1.781   2.200
  130    HA   ARG  24           HA       ARG  24  14.476  -0.338   4.184
  131   1HB   ARG  24          HB2       ARG  24  15.992   2.228   3.856
  132   2HB   ARG  24          HB1       ARG  24  15.965   1.412   5.413
  133   1HG   ARG  24          HG2       ARG  24  17.929   0.715   4.298
  134   2HG   ARG  24          HG1       ARG  24  16.802  -0.642   4.243
  135   1HD   ARG  24          HD2       ARG  24  16.634  -0.569   2.005
  136   2HD   ARG  24          HD1       ARG  24  16.602   1.194   1.968
  137    HE   ARG  24           HE       ARG  24  19.158   0.776   2.510
  138   1HH1  ARG  24          HH11      ARG  24  17.082  -0.823   0.213
  139   2HH1  ARG  24          HH12      ARG  24  18.368  -1.186  -0.889
  140   1HH2  ARG  24          HH21      ARG  24  20.855   0.302   1.066
  141   2HH2  ARG  24          HH22      ARG  24  20.512  -0.548  -0.404
  142    H    GLN  25           HN       GLN  25  12.510   2.225   3.451
  143    HA   GLN  25           HA       GLN  25  11.860   2.866   6.225
  144   1HB   GLN  25          HB2       GLN  25  11.933   4.830   4.968
  145   2HB   GLN  25          HB1       GLN  25  11.160   4.084   3.576
  146   1HG   GLN  25          HG2       GLN  25   9.629   5.616   4.582
  147   2HG   GLN  25          HG1       GLN  25   9.049   3.975   4.858
  148   1HE2  GLN  25          HE21      GLN  25   9.693   6.920   6.264
  149   2HE2  GLN  25          HE22      GLN  25   9.672   6.439   7.923
  150    H    GLY  26           HN       GLY  26  10.970   0.631   3.933
  151   1HA   GLY  26          HA2       GLY  26   9.200  -0.816   3.729
  152   2HA   GLY  26          HA1       GLY  26   8.918  -0.499   5.434
  153    H    ALA  27           HN       ALA  27   7.861   0.066   2.219
  154    HA   ALA  27           HA       ALA  27   6.025   2.179   2.933
  155   1HB   ALA  27          HB1       ALA  27   7.072   2.304   0.775
  156   2HB   ALA  27          HB2       ALA  27   5.354   1.997   0.536
  157   3HB   ALA  27          HB3       ALA  27   6.517   0.687   0.358
  158    H    GLN  28           HN       GLN  28   5.748  -0.480   4.215
  159    HA   GLN  28           HA       GLN  28   3.859  -2.168   3.244
  160   1HB   GLN  28          HB2       GLN  28   3.586  -1.283   6.083
  161   2HB   GLN  28          HB1       GLN  28   3.427  -2.893   5.399
  162   1HG   GLN  28          HG2       GLN  28   5.461  -3.284   6.109
  163   2HG   GLN  28          HG1       GLN  28   6.033  -2.187   4.857
  164   1HE2  GLN  28          HE21      GLN  28   4.741  -2.149   8.157
  165   2HE2  GLN  28          HE22      GLN  28   5.759  -0.876   8.728
  166    H    CYS  29           HN       CYS  29   1.961  -1.719   2.297
  167    HA   CYS  29           HA       CYS  29  -0.006  -0.596   1.782
  168   1HB   CYS  29          HB2       CYS  29  -0.201  -1.116   4.750
  169   2HB   CYS  29          HB1       CYS  29  -1.544  -0.484   3.804
  170    H    ALA  30           HN       ALA  30   2.019   1.121   1.835
  171    HA   ALA  30           HA       ALA  30   1.874   3.246   3.651
  172   1HB   ALA  30          HB1       ALA  30   2.673   3.503   0.762
  173   2HB   ALA  30          HB2       ALA  30   3.715   2.813   2.006
  174   3HB   ALA  30          HB3       ALA  30   3.202   4.496   2.120
  175    H    GLU  31           HN       GLU  31   1.579   5.346   1.387
  176    HA   GLU  31           HA       GLU  31  -0.891   6.362   1.915
  177   1HB   GLU  31          HB2       GLU  31   0.457   7.681   0.508
  178   2HB   GLU  31          HB1       GLU  31   0.725   6.363  -0.626
  179   1HG   GLU  31          HG2       GLU  31  -2.046   7.369  -0.277
  180   2HG   GLU  31          HG1       GLU  31  -0.898   8.369  -1.167
  181    H    GLY  32           HN       GLY  32  -0.004   3.690  -0.050
  182   1HA   GLY  32          HA2       GLY  32  -2.770   2.792  -0.158
  183   2HA   GLY  32          HA1       GLY  32  -1.881   2.898  -1.675
  184    H    LEU  33           HN       LEU  33  -1.609   0.778  -2.180
  185    HA   LEU  33           HA       LEU  33  -0.897  -1.153  -0.185
  186   1HB   LEU  33          HB2       LEU  33  -2.212  -1.481  -2.385
  187   2HB   LEU  33          HB1       LEU  33  -0.639  -1.554  -3.149
  188    HG   LEU  33           HG       LEU  33  -1.950  -3.718  -2.328
  189   1HD1  LEU  33          HD11      LEU  33   0.630  -4.477  -1.874
  190   2HD1  LEU  33          HD12      LEU  33   0.822  -3.024  -2.847
  191   3HD1  LEU  33          HD13      LEU  33  -0.147  -4.369  -3.450
  192   1HD2  LEU  33          HD21      LEU  33  -0.873  -4.498  -0.201
  193   2HD2  LEU  33          HD22      LEU  33  -2.047  -3.200   0.007
  194   3HD2  LEU  33          HD23      LEU  33  -0.327  -2.846   0.066
  195    H    CYS  34           HN       CYS  34   1.080  -2.690  -0.917
  196    HA   CYS  34           HA       CYS  34   3.416  -1.158  -1.715
  197   1HB   CYS  34          HB2       CYS  34   3.099  -1.080   0.809
  198   2HB   CYS  34          HB1       CYS  34   3.412  -2.796   0.806
  199    H    CYS  35           HN       CYS  35   5.241  -2.533  -2.279
  200    HA   CYS  35           HA       CYS  35   4.453  -5.325  -2.707
  201   1HB   CYS  35          HB2       CYS  35   4.239  -4.829  -4.894
  202   2HB   CYS  35          HB1       CYS  35   5.062  -3.288  -4.711
  203    H    ASP  36           HN       ASP  36   6.781  -3.207  -1.561
  204    HA   ASP  36           HA       ASP  36   9.053  -4.945  -2.023
  205   1HB   ASP  36          HB2       ASP  36   9.473  -2.567  -2.038
  206   2HB   ASP  36          HB1       ASP  36   8.733  -2.381  -0.452
  207    H    GLN  37           HN       GLN  37  10.460  -5.518  -0.075
  208    HA   GLN  37           HA       GLN  37   9.245  -7.320   1.575
  209   1HB   GLN  37          HB2       GLN  37  11.654  -5.604   2.222
  210   2HB   GLN  37          HB1       GLN  37  11.195  -7.060   3.093
  211   1HG   GLN  37          HG2       GLN  37  11.458  -7.430   0.206
  212   2HG   GLN  37          HG1       GLN  37  12.948  -6.951   1.016
  213   1HE2  GLN  37          HE21      GLN  37  12.906  -8.178   3.359
  214   2HE2  GLN  37          HE22      GLN  37  12.827  -9.895   3.179
  215    H    CYS  38           HN       CYS  38   9.275  -3.890   1.751
  216    HA   CYS  38           HA       CYS  38   8.919  -2.801   4.016
  217   1HB   CYS  38          HB2       CYS  38   6.870  -1.634   3.312
  218   2HB   CYS  38          HB1       CYS  38   8.017  -1.778   1.990
  219    H    ARG  39           HN       ARG  39   6.412  -5.081   2.962
  220    HA   ARG  39           HA       ARG  39   5.437  -6.728   4.311
  221   1HB   ARG  39          HB2       ARG  39   7.032  -5.844   6.222
  222   2HB   ARG  39          HB1       ARG  39   5.581  -5.004   6.751
  223   1HG   ARG  39          HG2       ARG  39   4.821  -6.845   7.707
  224   2HG   ARG  39          HG1       ARG  39   4.924  -7.719   6.177
  225   1HD   ARG  39          HD2       ARG  39   7.367  -7.255   7.847
  226   2HD   ARG  39          HD1       ARG  39   6.266  -8.582   8.215
  227    HE   ARG  39           HE       ARG  39   6.740  -8.951   5.600
  228   1HH1  ARG  39          HH11      ARG  39   8.867  -8.393   8.300
  229   2HH1  ARG  39          HH12      ARG  39  10.180  -9.295   7.620
  230   1HH2  ARG  39          HH21      ARG  39   8.462 -10.143   4.694
  231   2HH2  ARG  39          HH22      ARG  39   9.950 -10.290   5.569
  232    H    PHE  40           HN       PHE  40   3.413  -6.284   6.127
  233    HA   PHE  40           HA       PHE  40   1.892  -3.968   5.332
  234   1HB   PHE  40          HB2       PHE  40   0.800  -6.675   4.571
  235   2HB   PHE  40          HB1       PHE  40   0.122  -5.095   4.190
  236    HD1  PHE  40           HD1      PHE  40   0.791  -3.922   2.260
  237    HD2  PHE  40           HD2      PHE  40   2.958  -7.365   3.491
  238    HE1  PHE  40           HE1      PHE  40   2.024  -3.890   0.161
  239    HE2  PHE  40           HE2      PHE  40   4.204  -7.336   1.386
  240    HZ   PHE  40           HZ       PHE  40   3.737  -5.598  -0.297
  241    H    MET  41           HN       MET  41  -0.124  -3.755   6.452
  242    HA   MET  41           HA       MET  41  -0.008  -4.553   9.130
  243   1HB   MET  41          HB2       MET  41  -1.409  -2.669   7.710
  244   2HB   MET  41          HB1       MET  41  -2.672  -3.807   8.162
  245   1HG   MET  41          HG2       MET  41  -2.765  -2.552  10.018
  246   2HG   MET  41          HG1       MET  41  -1.414  -3.565  10.520
  247   1HE   MET  41          HE1       MET  41  -1.148   0.472  11.407
  248   2HE   MET  41          HE2       MET  41  -1.146  -1.062  12.278
  249   3HE   MET  41          HE3       MET  41  -2.532  -0.613  11.284
  250    H    LYS  42           HN       LYS  42  -2.366  -5.486   6.615
  251    HA   LYS  42           HA       LYS  42  -3.470  -7.426   6.247
  252   1HB   LYS  42          HB2       LYS  42  -1.225  -8.304   7.914
  253   2HB   LYS  42          HB1       LYS  42  -2.646  -9.330   8.050
  254   1HG   LYS  42          HG2       LYS  42  -2.131  -8.712   5.295
  255   2HG   LYS  42          HG1       LYS  42  -0.685  -9.374   6.060
  256   1HD   LYS  42          HD2       LYS  42  -3.176 -10.772   6.735
  257   2HD   LYS  42          HD1       LYS  42  -2.723 -10.860   5.032
  258   1HE   LYS  42          HE2       LYS  42  -1.060 -11.679   7.408
  259   2HE   LYS  42          HE1       LYS  42  -1.763 -12.735   6.184
  260   1HZ   LYS  42          HZ1       LYS  42   0.305 -12.560   5.332
  261   2HZ   LYS  42          HZ2       LYS  42   0.614 -11.059   6.047
  262   3HZ   LYS  42          HZ3       LYS  42  -0.321 -11.148   4.641
  263    H    GLU  43           HN       GLU  43  -4.655  -5.537   7.731
  264    HA   GLU  43           HA       GLU  43  -6.637  -6.991   9.143
  265   1HB   GLU  43          HB2       GLU  43  -4.810  -6.875  10.866
  266   2HB   GLU  43          HB1       GLU  43  -4.964  -5.124  10.829
  267   1HG   GLU  43          HG2       GLU  43  -6.491  -5.306  12.416
  268   2HG   GLU  43          HG1       GLU  43  -7.553  -6.053  11.223
  269    H    GLY  44           HN       GLY  44  -6.593  -5.293   6.968
  270   1HA   GLY  44          HA2       GLY  44  -7.882  -3.619   6.087
  271   2HA   GLY  44          HA1       GLY  44  -8.627  -3.431   7.667
  272    H    THR  45           HN       THR  45  -5.365  -2.985   6.350
  273    HA   THR  45           HA       THR  45  -5.112  -0.560   7.896
  274    HB   THR  45           HB       THR  45  -3.341  -2.511   6.878
  275    HG1  THR  45           HG1      THR  45  -3.481  -1.216   8.929
  276   1HG2  THR  45          HG21      THR  45  -2.586  -1.432   5.025
  277   2HG2  THR  45          HG22      THR  45  -1.515  -0.768   6.255
  278   3HG2  THR  45          HG23      THR  45  -2.892   0.173   5.687
  279    H    ILE  46           HN       ILE  46  -4.332  -1.182   4.505
  280    HA   ILE  46           HA       ILE  46  -6.107   0.498   3.304
  281    HB   ILE  46           HB       ILE  46  -4.168   2.032   4.752
  282   1HG1  ILE  46          HG12      ILE  46  -5.772   3.730   3.199
  283   2HG1  ILE  46          HG11      ILE  46  -6.751   2.297   3.490
  284   1HG2  ILE  46          HG21      ILE  46  -3.608   3.638   2.871
  285   2HG2  ILE  46          HG22      ILE  46  -4.013   2.324   1.766
  286   3HG2  ILE  46          HG23      ILE  46  -2.693   2.130   2.919
  287   1HD1  ILE  46          HD11      ILE  46  -7.174   2.955   5.554
  288   2HD1  ILE  46          HD12      ILE  46  -6.324   4.460   5.203
  289   3HD1  ILE  46          HD13      ILE  46  -5.454   3.100   5.912
  290    H    CYS  47           HN       CYS  47  -6.014  -0.896   1.638
  291    HA   CYS  47           HA       CYS  47  -3.455  -1.435   0.341
  292   1HB   CYS  47          HB2       CYS  47  -5.135  -3.244   0.909
  293   2HB   CYS  47          HB1       CYS  47  -6.119  -2.604  -0.404
  294    H    ARG  48           HN       ARG  48  -5.366   1.041   0.180
  295    HA   ARG  48           HA       ARG  48  -6.596   1.871  -1.842
  296   1HB   ARG  48          HB2       ARG  48  -3.835   3.029  -1.609
  297   2HB   ARG  48          HB1       ARG  48  -5.288   3.845  -2.147
  298   1HG   ARG  48          HG2       ARG  48  -5.779   2.823   0.451
  299   2HG   ARG  48          HG1       ARG  48  -4.234   3.672   0.474
  300   1HD   ARG  48          HD2       ARG  48  -5.601   5.474  -0.884
  301   2HD   ARG  48          HD1       ARG  48  -6.968   4.708  -0.076
  302    HE   ARG  48           HE       ARG  48  -5.253   5.171   1.954
  303   1HH1  ARG  48          HH11      ARG  48  -6.530   7.188  -0.582
  304   2HH1  ARG  48          HH12      ARG  48  -6.463   8.640   0.361
  305   1HH2  ARG  48          HH21      ARG  48  -5.162   7.076   3.205
  306   2HH2  ARG  48          HH22      ARG  48  -5.685   8.576   2.514
  307    H    ARG  49           HN       ARG  49  -6.942   1.165  -3.826
  308    HA   ARG  49           HA       ARG  49  -4.661   0.234  -5.421
  309   1HB   ARG  49          HB2       ARG  49  -7.504  -0.109  -6.282
  310   2HB   ARG  49          HB1       ARG  49  -6.112  -1.133  -6.604
  311   1HG   ARG  49          HG2       ARG  49  -6.484  -2.383  -4.802
  312   2HG   ARG  49          HG1       ARG  49  -6.768  -0.978  -3.773
  313   1HD   ARG  49          HD2       ARG  49  -8.685  -2.718  -4.321
  314   2HD   ARG  49          HD1       ARG  49  -9.017  -0.997  -4.135
  315    HE   ARG  49           HE       ARG  49  -9.706  -0.994  -6.300
  316   1HH1  ARG  49          HH11      ARG  49  -7.420  -3.590  -5.889
  317   2HH1  ARG  49          HH12      ARG  49  -7.564  -4.148  -7.522
  318   1HH2  ARG  49          HH21      ARG  49  -9.902  -1.721  -8.453
  319   2HH2  ARG  49          HH22      ARG  49  -8.975  -3.085  -8.980
  320    H    ALA  50           HN       ALA  50  -6.491   2.966  -5.017
  321    HA   ALA  50           HA       ALA  50  -6.326   3.731  -7.848
  322   1HB   ALA  50          HB1       ALA  50  -8.518   3.960  -6.808
  323   2HB   ALA  50          HB2       ALA  50  -7.873   5.531  -7.282
  324   3HB   ALA  50          HB3       ALA  50  -7.835   5.035  -5.590
  325    H    ARG  51           HN       ARG  51  -6.328   6.511  -7.505
  326    HA   ARG  51           HA       ARG  51  -3.530   6.927  -6.883
  327   1HB   ARG  51          HB2       ARG  51  -4.331   7.876  -8.941
  328   2HB   ARG  51          HB1       ARG  51  -5.635   8.711  -8.107
  329   1HG   ARG  51          HG2       ARG  51  -4.311  10.403  -7.447
  330   2HG   ARG  51          HG1       ARG  51  -2.921   9.351  -7.173
  331   1HD   ARG  51          HD2       ARG  51  -2.889  11.092  -9.118
  332   2HD   ARG  51          HD1       ARG  51  -2.222   9.478  -9.359
  333    HE   ARG  51           HE       ARG  51  -5.006   9.840 -10.097
  334   1HH1  ARG  51          HH11      ARG  51  -1.679   9.741 -11.126
  335   2HH1  ARG  51          HH12      ARG  51  -2.067   9.437 -12.786
  336   1HH2  ARG  51          HH21      ARG  51  -5.527   9.441 -12.281
  337   2HH2  ARG  51          HH22      ARG  51  -4.254   9.267 -13.443
  338    H    GLY  52           HN       GLY  52  -4.828   6.363  -4.566
  339   1HA   GLY  52          HA2       GLY  52  -5.116   7.123  -2.423
  340   2HA   GLY  52          HA1       GLY  52  -4.122   8.488  -2.900
  341    H    ASP  53           HN       ASP  53  -5.358  10.183  -4.235
  342    HA   ASP  53           HA       ASP  53  -7.505  11.119  -2.638
  343   1HB   ASP  53          HB2       ASP  53  -5.831  12.140  -4.746
  344   2HB   ASP  53          HB1       ASP  53  -7.512  12.555  -5.064
  345    H    ASP  54           HN       ASP  54  -7.330   9.277  -5.573
  346    HA   ASP  54           HA       ASP  54  -9.994   9.759  -6.455
  347   1HB   ASP  54          HB2       ASP  54  -7.909   7.692  -7.078
  348   2HB   ASP  54          HB1       ASP  54  -9.548   7.511  -7.695
  349    H    LEU  55           HN       LEU  55  -8.965   6.487  -5.776
  350    HA   LEU  55           HA       LEU  55 -11.318   6.155  -4.041
  351   1HB   LEU  55          HB2       LEU  55  -9.882   3.966  -5.534
  352   2HB   LEU  55          HB1       LEU  55 -11.439   3.871  -4.734
  353    HG   LEU  55           HG       LEU  55 -12.193   4.063  -6.861
  354   1HD1  LEU  55          HD11      LEU  55 -13.147   6.104  -7.125
  355   2HD1  LEU  55          HD12      LEU  55 -11.641   6.972  -6.829
  356   3HD1  LEU  55          HD13      LEU  55 -12.554   6.303  -5.476
  357   1HD2  LEU  55          HD21      LEU  55 -10.020   3.964  -7.906
  358   2HD2  LEU  55          HD22      LEU  55  -9.720   5.657  -7.516
  359   3HD2  LEU  55          HD23      LEU  55 -10.983   5.228  -8.670
  360    H    ASP  56           HN       ASP  56 -10.402   3.477  -3.234
  361    HA   ASP  56           HA       ASP  56  -7.901   3.795  -1.862
  362   1HB   ASP  56          HB2       ASP  56 -10.311   3.604  -0.076
  363   2HB   ASP  56          HB1       ASP  56  -8.647   3.977   0.362
  364    H    ASP  57           HN       ASP  57  -8.511   2.066   0.282
  365    HA   ASP  57           HA       ASP  57  -9.803  -0.295  -0.251
  366   1HB   ASP  57          HB2       ASP  57  -7.792  -0.040  -2.122
  367   2HB   ASP  57          HB1       ASP  57  -7.043  -1.047  -0.887
  368    H    TYR  58           HN       TYR  58  -9.199  -2.034   1.213
  369    HA   TYR  58           HA       TYR  58  -7.639  -1.027   3.492
  370   1HB   TYR  58          HB2       TYR  58  -9.965  -2.904   3.275
  371   2HB   TYR  58          HB1       TYR  58  -8.899  -2.987   4.672
  372    HD1  TYR  58           HD1      TYR  58 -11.183  -2.472   5.809
  373    HD2  TYR  58           HD2      TYR  58  -9.051   0.315   3.405
  374    HE1  TYR  58           HE1      TYR  58 -12.419  -0.627   6.863
  375    HE2  TYR  58           HE2      TYR  58 -10.280   2.169   4.452
  376    HH   TYR  58           HH       TYR  58 -11.519   2.654   6.465
  377    H    CYS  59           HN       CYS  59  -6.403  -2.647   4.760
  378    HA   CYS  59           HA       CYS  59  -5.169  -4.620   2.954
  379   1HB   CYS  59          HB2       CYS  59  -4.013  -2.884   5.100
  380   2HB   CYS  59          HB1       CYS  59  -3.189  -4.345   4.586
  381    H    ASN  60           HN       ASN  60  -6.208  -6.490   3.460
  382    HA   ASN  60           HA       ASN  60  -6.062  -7.425   6.246
  383   1HB   ASN  60          HB2       ASN  60  -8.076  -7.939   4.080
  384   2HB   ASN  60          HB1       ASN  60  -7.862  -9.097   5.390
  385   1HD2  ASN  60          HD21      ASN  60  -7.741  -5.564   5.397
  386   2HD2  ASN  60          HD22      ASN  60  -9.013  -5.348   6.541
  387    H    GLY  61           HN       GLY  61  -6.616  -9.134   3.252
  388   1HA   GLY  61          HA2       GLY  61  -4.323 -10.886   3.839
  389   2HA   GLY  61          HA1       GLY  61  -5.619 -11.237   2.690
  390    H    ILE  62           HN       ILE  62  -3.780  -8.307   3.144
  391    HA   ILE  62           HA       ILE  62  -3.231  -8.128   0.314
  392    HB   ILE  62           HB       ILE  62  -2.387  -5.850   0.923
  393   1HG1  ILE  62          HG12      ILE  62  -2.413  -5.032   3.055
  394   2HG1  ILE  62          HG11      ILE  62  -3.759  -6.043   3.546
  395   1HG2  ILE  62          HG21      ILE  62  -4.794  -6.576   0.304
  396   2HG2  ILE  62          HG22      ILE  62  -4.513  -4.956   0.933
  397   3HG2  ILE  62          HG23      ILE  62  -5.150  -6.212   1.989
  398   1HD1  ILE  62          HD11      ILE  62  -2.000  -6.796   4.830
  399   2HD1  ILE  62          HD12      ILE  62  -0.847  -6.663   3.509
  400   3HD1  ILE  62          HD13      ILE  62  -2.033  -7.956   3.508
  401    H    SER  63           HN       SER  63  -1.537 -10.070   0.745
  402    HA   SER  63           HA       SER  63   0.991  -9.200   1.796
  403   1HB   SER  63          HB2       SER  63   1.822 -11.252   0.435
  404   2HB   SER  63          HB1       SER  63   0.780 -11.531   1.830
  405    HG   SER  63           HG       SER  63   0.204 -11.753  -0.905
  406    H    ALA  64           HN       ALA  64   0.589  -7.158   0.498
  407    HA   ALA  64           HA       ALA  64   1.530  -5.747  -1.005
  408   1HB   ALA  64          HB1       ALA  64   2.646  -8.170  -2.389
  409   2HB   ALA  64          HB2       ALA  64   3.488  -7.194  -1.187
  410   3HB   ALA  64          HB3       ALA  64   3.043  -6.491  -2.741
  411    H    GLY  65           HN       GLY  65  -1.015  -7.280  -1.097
  412   1HA   GLY  65          HA2       GLY  65  -1.845  -6.405  -3.765
  413   2HA   GLY  65          HA1       GLY  65  -2.198  -8.064  -3.289
  414    H    CYS  66           HN       CYS  66  -4.425  -6.861  -3.825
  415    HA   CYS  66           HA       CYS  66  -5.447  -5.821  -1.259
  416   1HB   CYS  66          HB2       CYS  66  -6.355  -5.189  -4.070
  417   2HB   CYS  66          HB1       CYS  66  -7.194  -4.662  -2.615
  418    HA   PRO  67           HA       PRO  67  -7.984  -9.406  -0.749
  419   1HB   PRO  67          HB2       PRO  67 -10.194  -7.946   0.235
  420   2HB   PRO  67          HB1       PRO  67  -8.920  -8.704   1.193
  421   1HG   PRO  67          HG2       PRO  67  -9.192  -5.870   0.305
  422   2HG   PRO  67          HG1       PRO  67  -8.522  -6.517   1.815
  423   1HD   PRO  67          HD2       PRO  67  -6.905  -5.594  -0.080
  424   2HD   PRO  67          HD1       PRO  67  -6.495  -7.076   0.815
  425    H    ARG  68           HN       ARG  68 -10.484  -9.866  -1.122
  426    HA   ARG  68           HA       ARG  68 -11.093  -8.887  -3.830
  427   1HB   ARG  68          HB2       ARG  68 -11.692 -11.502  -2.459
  428   2HB   ARG  68          HB1       ARG  68 -12.517 -11.011  -3.932
  429   1HG   ARG  68          HG2       ARG  68 -10.053 -10.669  -4.797
  430   2HG   ARG  68          HG1       ARG  68  -9.694 -11.834  -3.521
  431   1HD   ARG  68          HD2       ARG  68 -11.925 -12.872  -4.817
  432   2HD   ARG  68          HD1       ARG  68 -10.909 -12.246  -6.115
  433    HE   ARG  68           HE       ARG  68 -10.341 -14.484  -4.377
  434   1HH1  ARG  68          HH11      ARG  68  -9.058 -12.130  -6.599
  435   2HH1  ARG  68          HH12      ARG  68  -7.656 -13.069  -6.988
  436   1HH2  ARG  68          HH21      ARG  68  -8.498 -15.730  -4.882
  437   2HH2  ARG  68          HH22      ARG  68  -7.337 -15.117  -6.012
  438    H    ASN  69           HN       ASN  69 -11.843  -7.858  -1.035
  439    HA   ASN  69           HA       ASN  69 -14.752  -7.758  -1.495
  440   1HB   ASN  69          HB2       ASN  69 -13.230  -7.649   1.116
  441   2HB   ASN  69          HB1       ASN  69 -14.954  -7.322   0.964
  442   1HD2  ASN  69          HD21      ASN  69 -12.897  -9.574   1.932
  443   2HD2  ASN  69          HD22      ASN  69 -13.782 -11.010   1.562
  444    HA   PRO  70           HA       PRO  70 -14.270  -3.401  -2.003
  445   1HB   PRO  70          HB2       PRO  70 -16.809  -2.606  -1.534
  446   2HB   PRO  70          HB1       PRO  70 -16.346  -3.482  -2.998
  447   1HG   PRO  70          HG2       PRO  70 -17.634  -4.515  -0.499
  448   2HG   PRO  70          HG1       PRO  70 -18.016  -4.887  -2.191
  449   1HD   PRO  70          HD2       PRO  70 -16.527  -6.527  -0.616
  450   2HD   PRO  70          HD1       PRO  70 -16.305  -6.412  -2.373
  451    H    PHE  71           HN       PHE  71 -14.212  -1.434  -0.851
  452    HA   PHE  71           HA       PHE  71 -14.917  -1.499   1.985
  453   1HB   PHE  71          HB2       PHE  71 -12.197  -0.521   1.136
  454   2HB   PHE  71          HB1       PHE  71 -12.774  -0.874   2.761
  455    HD1  PHE  71           HD1      PHE  71 -13.228  -3.277   3.381
  456    HD2  PHE  71           HD2      PHE  71 -11.134  -2.155  -0.149
  457    HE1  PHE  71           HE1      PHE  71 -12.291  -5.546   3.221
  458    HE2  PHE  71           HE2      PHE  71 -10.193  -4.422  -0.317
  459    HZ   PHE  71           HZ       PHE  71 -10.772  -6.122   1.370
  460    H    HIS  72           HN       HIS  72 -13.102   0.612  -0.246
  461    HA   HIS  72           HA       HIS  72 -14.547   2.923   0.757
  462   1HB   HIS  72          HB2       HIS  72 -12.050   2.905   0.298
  463   2HB   HIS  72          HB1       HIS  72 -12.451   2.875  -1.416
  464    HD1  HIS  72           HD1      HIS  72 -13.495   5.034  -2.427
  465    HD2  HIS  72           HD2      HIS  72 -12.384   5.362   1.564
  466    HE1  HIS  72           HE1      HIS  72 -13.534   7.496  -1.918
  467    HE2  HIS  72           HE2      HIS  72 -12.938   7.664   0.524
  468    H    ALA  73           HN       ALA  73 -13.711   1.868  -2.546
  469    HA   ALA  73           HA       ALA  73 -16.311   1.677  -3.529
  470   1HB   ALA  73          HB1       ALA  73 -16.723   3.744  -4.616
  471   2HB   ALA  73          HB2       ALA  73 -15.114   4.350  -4.222
  472   3HB   ALA  73          HB3       ALA  73 -16.309   4.126  -2.945
  Start of MODEL   17
    1   1H    GLU   1           HT1      GLU   1 -10.023  10.466   4.901
    2   2H    GLU   1           HT2      GLU   1  -9.295  11.636   5.923
    3   3H    GLU   1           HT3      GLU   1 -10.447  10.535   6.561
    4    HA   GLU   1           HA       GLU   1  -7.748  10.275   6.550
    5   1HB   GLU   1          HB2       GLU   1  -9.691   9.323   7.976
    6   2HB   GLU   1          HB1       GLU   1  -9.694   7.998   6.820
    7   1HG   GLU   1          HG2       GLU   1  -7.809   7.103   7.640
    8   2HG   GLU   1          HG1       GLU   1  -7.061   8.675   7.923
    9    H    ALA   2           HN       ALA   2  -8.306  10.570   3.813
   10    HA   ALA   2           HA       ALA   2  -8.092   7.964   2.567
   11   1HB   ALA   2          HB1       ALA   2  -7.536  10.029   0.708
   12   2HB   ALA   2          HB2       ALA   2  -8.866  10.568   1.732
   13   3HB   ALA   2          HB3       ALA   2  -8.992   9.045   0.853
   14    H    GLY   3           HN       GLY   3  -6.278   7.037   1.752
   15   1HA   GLY   3          HA2       GLY   3  -4.023   6.582   1.638
   16   2HA   GLY   3          HA1       GLY   3  -3.930   8.195   0.944
   17    H    GLU   4           HN       GLU   4  -3.274   6.226   3.689
   18    HA   GLU   4           HA       GLU   4  -3.030   7.782   5.841
   19   1HB   GLU   4          HB2       GLU   4  -0.963   5.883   4.738
   20   2HB   GLU   4          HB1       GLU   4  -0.831   6.611   6.333
   21   1HG   GLU   4          HG2       GLU   4  -3.393   5.567   6.281
   22   2HG   GLU   4          HG1       GLU   4  -2.414   4.361   5.447
   23    H    GLU   5           HN       GLU   5   0.144   7.444   4.444
   24    HA   GLU   5           HA       GLU   5   0.413  10.176   3.635
   25   1HB   GLU   5          HB2       GLU   5   1.961   9.365   6.096
   26   2HB   GLU   5          HB1       GLU   5   1.896  10.952   5.344
   27   1HG   GLU   5          HG2       GLU   5  -0.471  11.133   5.963
   28   2HG   GLU   5          HG1       GLU   5  -0.370   9.560   6.755
   29    H    CYS   6           HN       CYS   6   1.692   9.981   1.921
   30    HA   CYS   6           HA       CYS   6   4.303   9.331   1.813
   31   1HB   CYS   6          HB2       CYS   6   4.071   7.147   2.640
   32   2HB   CYS   6          HB1       CYS   6   2.617   6.849   1.702
   33    H    ASP   7           HN       ASP   7   4.856  10.220  -0.056
   34    HA   ASP   7           HA       ASP   7   2.990  10.647  -2.154
   35   1HB   ASP   7          HB2       ASP   7   5.995  10.964  -2.264
   36   2HB   ASP   7          HB1       ASP   7   4.812  11.729  -3.322
   37    H    CYS   8           HN       CYS   8   5.507   8.288  -1.575
   38    HA   CYS   8           HA       CYS   8   5.317   7.182  -4.260
   39   1HB   CYS   8          HB2       CYS   8   6.691   5.933  -1.927
   40   2HB   CYS   8          HB1       CYS   8   7.034   5.681  -3.623
   41    H    GLY   9           HN       GLY   9   3.155   7.034  -1.906
   42   1HA   GLY   9          HA2       GLY   9   2.916   4.210  -1.510
   43   2HA   GLY   9          HA1       GLY   9   1.801   5.443  -0.946
   44    H    SER  10           HN       SER  10   2.675   3.345  -3.586
   45    HA   SER  10           HA       SER  10  -0.032   3.669  -4.558
   46   1HB   SER  10          HB2       SER  10   2.229   3.576  -6.536
   47   2HB   SER  10          HB1       SER  10   0.552   4.044  -6.811
   48    HG   SER  10           HG       SER  10   1.251   5.994  -6.495
   49    HA   PRO  11           HA       PRO  11  -0.041  -0.752  -4.594
   50   1HB   PRO  11          HB2       PRO  11  -1.778  -1.075  -6.748
   51   2HB   PRO  11          HB1       PRO  11  -2.270  -0.854  -5.066
   52   1HG   PRO  11          HG2       PRO  11  -2.109   1.147  -7.275
   53   2HG   PRO  11          HG1       PRO  11  -3.308   0.998  -5.977
   54   1HD   PRO  11          HD2       PRO  11  -1.381   2.860  -5.893
   55   2HD   PRO  11          HD1       PRO  11  -1.932   2.034  -4.420
   56    H    GLY  12           HN       GLY  12   2.140  -0.943  -5.282
   57   1HA   GLY  12          HA2       GLY  12   3.136  -2.426  -7.057
   58   2HA   GLY  12          HA1       GLY  12   2.473  -1.267  -8.206
   59    H    ASN  13           HN       ASN  13   3.105   0.810  -6.043
   60    HA   ASN  13           HA       ASN  13   5.965   1.118  -6.666
   61   1HB   ASN  13          HB2       ASN  13   4.032   3.372  -6.094
   62   2HB   ASN  13          HB1       ASN  13   5.668   3.494  -6.733
   63   1HD2  ASN  13          HD21      ASN  13   2.571   1.939  -7.494
   64   2HD2  ASN  13          HD22      ASN  13   2.648   2.234  -9.195
   65    HA   PRO  14           HA       PRO  14   5.272  -0.040  -2.129
   66   1HB   PRO  14          HB2       PRO  14   8.160  -0.270  -2.364
   67   2HB   PRO  14          HB1       PRO  14   6.976  -1.520  -2.007
   68   1HG   PRO  14          HG2       PRO  14   8.199  -0.788  -4.572
   69   2HG   PRO  14          HG1       PRO  14   7.403  -2.297  -4.108
   70   1HD   PRO  14          HD2       PRO  14   6.275  -0.604  -5.841
   71   2HD   PRO  14          HD1       PRO  14   5.287  -1.483  -4.651
   72    H    CYS  15           HN       CYS  15   4.726   2.169  -1.581
   73    HA   CYS  15           HA       CYS  15   5.355   4.459  -1.267
   74   1HB   CYS  15          HB2       CYS  15   4.695   3.247   0.826
   75   2HB   CYS  15          HB1       CYS  15   6.403   2.998   1.151
   76    H    CYS  16           HN       CYS  16   7.141   3.901  -2.997
   77    HA   CYS  16           HA       CYS  16   8.987   5.206  -3.570
   78   1HB   CYS  16          HB2       CYS  16   9.944   4.616  -0.776
   79   2HB   CYS  16          HB1       CYS  16  10.916   5.413  -1.995
   80    H    ASP  17           HN       ASP  17  10.335   4.312  -4.952
   81    HA   ASP  17           HA       ASP  17  11.594   1.755  -4.306
   82   1HB   ASP  17          HB2       ASP  17  10.946   0.873  -6.568
   83   2HB   ASP  17          HB1       ASP  17   9.608   1.046  -5.437
   84    H    ALA  18           HN       ALA  18  11.469   4.643  -6.298
   85    HA   ALA  18           HA       ALA  18  13.227   5.841  -7.171
   86   1HB   ALA  18          HB1       ALA  18  15.414   5.284  -6.757
   87   2HB   ALA  18          HB2       ALA  18  15.119   3.553  -6.918
   88   3HB   ALA  18          HB3       ALA  18  14.602   4.404  -5.463
   89    H    ALA  19           HN       ALA  19  12.883   2.454  -8.020
   90    HA   ALA  19           HA       ALA  19  12.402   3.006 -10.747
   91   1HB   ALA  19          HB1       ALA  19  14.853   3.348 -10.685
   92   2HB   ALA  19          HB2       ALA  19  14.361   2.026 -11.744
   93   3HB   ALA  19          HB3       ALA  19  15.041   1.677 -10.155
   94    H    THR  20           HN       THR  20  13.240   0.715  -8.217
   95    HA   THR  20           HA       THR  20  11.277  -1.147  -9.300
   96    HB   THR  20           HB       THR  20  14.101  -1.999  -8.629
   97    HG1  THR  20           HG1      THR  20  13.655  -0.894 -10.716
   98   1HG2  THR  20          HG21      THR  20  13.475  -4.180  -9.465
   99   2HG2  THR  20          HG22      THR  20  11.823  -3.623  -9.735
  100   3HG2  THR  20          HG23      THR  20  12.462  -3.729  -8.094
  101    H    CYS  21           HN       CYS  21  10.083  -2.057  -7.731
  102    HA   CYS  21           HA       CYS  21   9.851  -1.219  -5.214
  103   1HB   CYS  21          HB2       CYS  21   9.604  -4.122  -6.034
  104   2HB   CYS  21          HB1       CYS  21   8.871  -3.398  -4.609
  105    H    LYS  22           HN       LYS  22  11.785  -0.665  -4.195
  106    HA   LYS  22           HA       LYS  22  12.946  -2.674  -2.568
  107   1HB   LYS  22          HB2       LYS  22  14.044  -2.694  -5.052
  108   2HB   LYS  22          HB1       LYS  22  15.100  -1.550  -4.236
  109   1HG   LYS  22          HG2       LYS  22  14.503  -4.354  -3.314
  110   2HG   LYS  22          HG1       LYS  22  15.975  -3.822  -4.130
  111   1HD   LYS  22          HD2       LYS  22  16.048  -2.087  -2.151
  112   2HD   LYS  22          HD1       LYS  22  15.042  -3.295  -1.348
  113   1HE   LYS  22          HE2       LYS  22  17.873  -3.484  -2.272
  114   2HE   LYS  22          HE1       LYS  22  17.160  -3.968  -0.734
  115   1HZ   LYS  22          HZ1       LYS  22  15.913  -5.667  -2.249
  116   2HZ   LYS  22          HZ2       LYS  22  17.488  -5.985  -1.720
  117   3HZ   LYS  22          HZ3       LYS  22  17.223  -5.408  -3.288
  118    H    LEU  23           HN       LEU  23  12.039  -0.826  -1.253
  119    HA   LEU  23           HA       LEU  23  13.948   1.398  -1.046
  120   1HB   LEU  23          HB2       LEU  23  12.214   2.568   0.228
  121   2HB   LEU  23          HB1       LEU  23  11.669   2.121  -1.374
  122    HG   LEU  23           HG       LEU  23  11.003   0.432   1.022
  123   1HD1  LEU  23          HD11      LEU  23   9.448   2.783  -0.040
  124   2HD1  LEU  23          HD12      LEU  23  10.253   2.690   1.526
  125   3HD1  LEU  23          HD13      LEU  23   8.882   1.638   1.175
  126   1HD2  LEU  23          HD21      LEU  23  10.416   0.399  -1.807
  127   2HD2  LEU  23          HD22      LEU  23   8.941   0.451  -0.841
  128   3HD2  LEU  23          HD23      LEU  23  10.120  -0.834  -0.580
  129    H    ARG  24           HN       ARG  24  14.330   2.215   1.202
  130    HA   ARG  24           HA       ARG  24  14.931  -0.063   2.931
  131   1HB   ARG  24          HB2       ARG  24  15.930   2.782   2.884
  132   2HB   ARG  24          HB1       ARG  24  16.324   1.655   4.175
  133   1HG   ARG  24          HG2       ARG  24  17.130   0.133   2.220
  134   2HG   ARG  24          HG1       ARG  24  17.197   1.653   1.325
  135   1HD   ARG  24          HD2       ARG  24  19.174   2.065   2.247
  136   2HD   ARG  24          HD1       ARG  24  18.389   2.147   3.823
  137    HE   ARG  24           HE       ARG  24  18.892  -0.544   3.114
  138   1HH1  ARG  24          HH11      ARG  24  20.502   2.351   4.187
  139   2HH1  ARG  24          HH12      ARG  24  21.791   1.500   4.971
  140   1HH2  ARG  24          HH21      ARG  24  20.584  -1.676   4.144
  141   2HH2  ARG  24          HH22      ARG  24  21.838  -0.790   4.946
  142    H    GLN  25           HN       GLN  25  12.611   2.318   2.603
  143    HA   GLN  25           HA       GLN  25  12.087   2.615   5.448
  144   1HB   GLN  25          HB2       GLN  25  10.488   3.675   3.113
  145   2HB   GLN  25          HB1       GLN  25  10.353   4.172   4.794
  146   1HG   GLN  25          HG2       GLN  25  12.298   5.389   4.737
  147   2HG   GLN  25          HG1       GLN  25  12.969   4.455   3.402
  148   1HE2  GLN  25          HE21      GLN  25  11.676   4.659   1.324
  149   2HE2  GLN  25          HE22      GLN  25  11.159   6.252   0.900
  150    H    GLY  26           HN       GLY  26  11.385   0.394   3.081
  151   1HA   GLY  26          HA2       GLY  26   9.882  -1.323   2.901
  152   2HA   GLY  26          HA1       GLY  26   9.745  -1.195   4.647
  153    H    ALA  27           HN       ALA  27   8.429  -0.125   1.577
  154    HA   ALA  27           HA       ALA  27   6.319   1.443   2.588
  155   1HB   ALA  27          HB1       ALA  27   5.449   1.343   0.343
  156   2HB   ALA  27          HB2       ALA  27   6.508  -0.014  -0.035
  157   3HB   ALA  27          HB3       ALA  27   7.197   1.572   0.308
  158    H    GLN  28           HN       GLN  28   6.263  -1.147   4.016
  159    HA   GLN  28           HA       GLN  28   4.337  -2.880   3.012
  160   1HB   GLN  28          HB2       GLN  28   4.469  -2.397   5.942
  161   2HB   GLN  28          HB1       GLN  28   4.299  -3.909   5.065
  162   1HG   GLN  28          HG2       GLN  28   6.425  -4.219   5.585
  163   2HG   GLN  28          HG1       GLN  28   6.755  -3.103   4.261
  164   1HE2  GLN  28          HE21      GLN  28   5.469  -2.487   7.501
  165   2HE2  GLN  28          HE22      GLN  28   6.737  -1.423   7.994
  166    H    CYS  29           HN       CYS  29   2.625  -1.694   2.110
  167    HA   CYS  29           HA       CYS  29   0.552  -0.770   2.062
  168   1HB   CYS  29          HB2       CYS  29   0.534  -1.666   4.952
  169   2HB   CYS  29          HB1       CYS  29  -0.877  -1.066   4.090
  170    H    ALA  30           HN       ALA  30   2.276   1.135   2.035
  171    HA   ALA  30           HA       ALA  30   2.031   2.920   4.289
  172   1HB   ALA  30          HB1       ALA  30   3.995   2.663   2.543
  173   2HB   ALA  30          HB2       ALA  30   3.640   4.216   3.301
  174   3HB   ALA  30          HB3       ALA  30   3.062   3.878   1.669
  175    H    GLU  31           HN       GLU  31   1.877   5.306   2.368
  176    HA   GLU  31           HA       GLU  31  -0.729   6.075   2.672
  177   1HB   GLU  31          HB2       GLU  31   0.905   7.609   1.742
  178   2HB   GLU  31          HB1       GLU  31   1.091   6.606   0.312
  179   1HG   GLU  31          HG2       GLU  31  -0.703   7.481  -0.690
  180   2HG   GLU  31          HG1       GLU  31  -1.652   7.489   0.796
  181    H    GLY  32           HN       GLY  32   0.664   3.882   0.426
  182   1HA   GLY  32          HA2       GLY  32  -1.983   2.887  -0.269
  183   2HA   GLY  32          HA1       GLY  32  -0.886   3.301  -1.586
  184    H    LEU  33           HN       LEU  33  -1.308   0.856  -1.945
  185    HA   LEU  33           HA       LEU  33  -0.054  -0.921  -0.124
  186   1HB   LEU  33          HB2       LEU  33  -1.825  -1.277  -2.099
  187   2HB   LEU  33          HB1       LEU  33  -0.368  -1.739  -2.953
  188    HG   LEU  33           HG       LEU  33  -1.930  -3.420  -1.489
  189   1HD1  LEU  33          HD11      LEU  33  -0.539  -4.420  -2.985
  190   2HD1  LEU  33          HD12      LEU  33   0.290  -4.825  -1.482
  191   3HD1  LEU  33          HD13      LEU  33   0.866  -3.488  -2.477
  192   1HD2  LEU  33          HD21      LEU  33  -1.065  -2.242   0.590
  193   2HD2  LEU  33          HD22      LEU  33   0.486  -2.998   0.241
  194   3HD2  LEU  33          HD23      LEU  33  -0.931  -3.997   0.551
  195    H    CYS  34           HN       CYS  34   1.629  -2.547  -1.105
  196    HA   CYS  34           HA       CYS  34   3.780  -1.055  -2.419
  197   1HB   CYS  34          HB2       CYS  34   4.758  -0.940  -0.386
  198   2HB   CYS  34          HB1       CYS  34   3.723  -2.181   0.292
  199    H    CYS  35           HN       CYS  35   5.568  -2.516  -3.139
  200    HA   CYS  35           HA       CYS  35   4.593  -5.191  -3.771
  201   1HB   CYS  35          HB2       CYS  35   4.314  -4.635  -5.928
  202   2HB   CYS  35          HB1       CYS  35   4.975  -3.033  -5.642
  203    H    ASP  36           HN       ASP  36   7.068  -3.290  -2.606
  204    HA   ASP  36           HA       ASP  36   9.268  -4.996  -3.373
  205   1HB   ASP  36          HB2       ASP  36   9.749  -2.653  -3.174
  206   2HB   ASP  36          HB1       ASP  36   9.040  -2.585  -1.566
  207    H    GLN  37           HN       GLN  37  10.767  -5.781  -1.588
  208    HA   GLN  37           HA       GLN  37   9.647  -7.752  -0.078
  209   1HB   GLN  37          HB2       GLN  37  12.058  -6.143   0.783
  210   2HB   GLN  37          HB1       GLN  37  11.684  -7.802   1.229
  211   1HG   GLN  37          HG2       GLN  37  12.360  -6.817  -1.534
  212   2HG   GLN  37          HG1       GLN  37  13.424  -7.721  -0.457
  213   1HE2  GLN  37          HE21      GLN  37  13.210  -8.846  -2.763
  214   2HE2  GLN  37          HE22      GLN  37  12.124 -10.190  -2.770
  215    H    CYS  38           HN       CYS  38   9.669  -4.367   0.521
  216    HA   CYS  38           HA       CYS  38   9.474  -3.575   2.923
  217   1HB   CYS  38          HB2       CYS  38   7.775  -2.121   2.415
  218   2HB   CYS  38          HB1       CYS  38   8.230  -2.653   0.804
  219    H    ARG  39           HN       ARG  39   6.905  -5.745   1.798
  220    HA   ARG  39           HA       ARG  39   6.009  -7.546   3.003
  221   1HB   ARG  39          HB2       ARG  39   7.822  -6.843   4.864
  222   2HB   ARG  39          HB1       ARG  39   6.368  -6.258   5.661
  223   1HG   ARG  39          HG2       ARG  39   5.408  -8.446   5.654
  224   2HG   ARG  39          HG1       ARG  39   6.701  -9.064   4.627
  225   1HD   ARG  39          HD2       ARG  39   8.126  -9.297   6.352
  226   2HD   ARG  39          HD1       ARG  39   7.602  -7.797   7.116
  227    HE   ARG  39           HE       ARG  39   5.519  -9.534   7.478
  228   1HH1  ARG  39          HH11      ARG  39   8.913  -9.531   8.263
  229   2HH1  ARG  39          HH12      ARG  39   8.718 -10.508   9.679
  230   1HH2  ARG  39          HH21      ARG  39   5.252 -10.822   9.340
  231   2HH2  ARG  39          HH22      ARG  39   6.637 -11.243  10.292
  232    H    PHE  40           HN       PHE  40   4.094  -7.411   4.935
  233    HA   PHE  40           HA       PHE  40   2.676  -4.911   4.688
  234   1HB   PHE  40          HB2       PHE  40   1.445  -7.382   3.471
  235   2HB   PHE  40          HB1       PHE  40   0.786  -5.745   3.464
  236    HD1  PHE  40           HD1      PHE  40   1.552  -4.104   1.892
  237    HD2  PHE  40           HD2      PHE  40   3.424  -7.922   2.098
  238    HE1  PHE  40           HE1      PHE  40   2.764  -3.630  -0.176
  239    HE2  PHE  40           HE2      PHE  40   4.638  -7.445   0.028
  240    HZ   PHE  40           HZ       PHE  40   4.312  -5.286  -1.118
  241    H    MET  41           HN       MET  41   0.656  -4.856   5.858
  242    HA   MET  41           HA       MET  41   0.915  -5.966   8.401
  243   1HB   MET  41          HB2       MET  41  -0.757  -4.060   7.108
  244   2HB   MET  41          HB1       MET  41  -1.769  -5.150   8.047
  245   1HG   MET  41          HG2       MET  41   0.442  -3.367   8.998
  246   2HG   MET  41          HG1       MET  41  -1.249  -3.390   9.492
  247   1HE   MET  41          HE1       MET  41  -1.177  -3.796  12.173
  248   2HE   MET  41          HE2       MET  41  -1.384  -5.524  12.455
  249   3HE   MET  41          HE3       MET  41  -2.270  -4.731  11.153
  250    H    LYS  42           HN       LYS  42  -1.887  -6.516   6.206
  251    HA   LYS  42           HA       LYS  42  -2.897  -8.546   5.688
  252   1HB   LYS  42          HB2       LYS  42  -0.744  -9.712   6.356
  253   2HB   LYS  42          HB1       LYS  42  -1.386  -9.794   7.990
  254   1HG   LYS  42          HG2       LYS  42  -1.882 -11.870   7.112
  255   2HG   LYS  42          HG1       LYS  42  -3.395 -10.980   6.933
  256   1HD   LYS  42          HD2       LYS  42  -3.201 -11.938   4.859
  257   2HD   LYS  42          HD1       LYS  42  -2.413 -10.383   4.583
  258   1HE   LYS  42          HE2       LYS  42  -0.991 -12.955   5.265
  259   2HE   LYS  42          HE1       LYS  42  -1.152 -12.290   3.641
  260   1HZ   LYS  42          HZ1       LYS  42   0.941 -11.612   4.395
  261   2HZ   LYS  42          HZ2       LYS  42   0.364 -11.179   5.925
  262   3HZ   LYS  42          HZ3       LYS  42  -0.035 -10.241   4.575
  263    H    GLU  43           HN       GLU  43  -3.174  -6.504   8.106
  264    HA   GLU  43           HA       GLU  43  -5.634  -7.729   9.073
  265   1HB   GLU  43          HB2       GLU  43  -3.664  -8.266  10.629
  266   2HB   GLU  43          HB1       GLU  43  -3.703  -6.562  11.060
  267   1HG   GLU  43          HG2       GLU  43  -5.580  -6.773  12.281
  268   2HG   GLU  43          HG1       GLU  43  -6.283  -7.971  11.195
  269    H    GLY  44           HN       GLY  44  -6.639  -6.090   7.833
  270   1HA   GLY  44          HA2       GLY  44  -7.605  -4.050   7.475
  271   2HA   GLY  44          HA1       GLY  44  -7.521  -3.891   9.216
  272    H    THR  45           HN       THR  45  -5.291  -3.636   6.405
  273    HA   THR  45           HA       THR  45  -4.308  -1.153   7.666
  274    HB   THR  45           HB       THR  45  -2.408  -2.137   5.768
  275    HG1  THR  45           HG1      THR  45  -3.523  -4.160   6.286
  276   1HG2  THR  45          HG21      THR  45  -2.319  -2.043   8.765
  277   2HG2  THR  45          HG22      THR  45  -1.806  -0.765   7.663
  278   3HG2  THR  45          HG23      THR  45  -0.935  -2.297   7.701
  279    H    ILE  46           HN       ILE  46  -2.828  -0.675   4.934
  280    HA   ILE  46           HA       ILE  46  -5.261   0.003   3.453
  281    HB   ILE  46           HB       ILE  46  -3.439   1.845   4.636
  282   1HG1  ILE  46          HG12      ILE  46  -5.327   3.153   2.967
  283   2HG1  ILE  46          HG11      ILE  46  -6.095   1.698   3.595
  284   1HG2  ILE  46          HG21      ILE  46  -3.418   1.863   1.637
  285   2HG2  ILE  46          HG22      ILE  46  -2.056   1.956   2.750
  286   3HG2  ILE  46          HG23      ILE  46  -3.153   3.326   2.585
  287   1HD1  ILE  46          HD11      ILE  46  -4.929   3.990   5.136
  288   2HD1  ILE  46          HD12      ILE  46  -5.342   2.446   5.882
  289   3HD1  ILE  46          HD13      ILE  46  -6.596   3.417   5.111
  290    H    CYS  47           HN       CYS  47  -5.257  -1.233   1.727
  291    HA   CYS  47           HA       CYS  47  -2.784  -1.652   0.203
  292   1HB   CYS  47          HB2       CYS  47  -3.626  -3.612  -0.548
  293   2HB   CYS  47          HB1       CYS  47  -4.561  -3.498   0.931
  294    H    ARG  48           HN       ARG  48  -4.713   0.716   0.449
  295    HA   ARG  48           HA       ARG  48  -6.259   1.675  -1.263
  296   1HB   ARG  48          HB2       ARG  48  -3.470   2.820  -1.244
  297   2HB   ARG  48          HB1       ARG  48  -4.930   3.680  -1.697
  298   1HG   ARG  48          HG2       ARG  48  -5.142   2.484   0.932
  299   2HG   ARG  48          HG1       ARG  48  -3.783   3.603   0.805
  300   1HD   ARG  48          HD2       ARG  48  -6.670   4.179   0.154
  301   2HD   ARG  48          HD1       ARG  48  -5.755   4.797   1.528
  302    HE   ARG  48           HE       ARG  48  -4.332   5.638  -0.627
  303   1HH1  ARG  48          HH11      ARG  48  -7.665   5.921   0.339
  304   2HH1  ARG  48          HH12      ARG  48  -7.902   7.443  -0.455
  305   1HH2  ARG  48          HH21      ARG  48  -4.631   7.642  -1.677
  306   2HH2  ARG  48          HH22      ARG  48  -6.176   8.421  -1.602
  307    H    ARG  49           HN       ARG  49  -6.885   1.599  -3.299
  308    HA   ARG  49           HA       ARG  49  -5.025   0.497  -5.280
  309   1HB   ARG  49          HB2       ARG  49  -8.031   0.785  -5.416
  310   2HB   ARG  49          HB1       ARG  49  -7.018  -0.004  -6.617
  311   1HG   ARG  49          HG2       ARG  49  -6.346  -1.308  -4.294
  312   2HG   ARG  49          HG1       ARG  49  -8.077  -1.017  -4.110
  313   1HD   ARG  49          HD2       ARG  49  -6.668  -2.469  -6.337
  314   2HD   ARG  49          HD1       ARG  49  -7.836  -3.120  -5.189
  315    HE   ARG  49           HE       ARG  49  -9.308  -1.273  -6.404
  316   1HH1  ARG  49          HH11      ARG  49  -7.129  -3.648  -7.724
  317   2HH1  ARG  49          HH12      ARG  49  -7.996  -3.804  -9.215
  318   1HH2  ARG  49          HH21      ARG  49 -10.458  -1.471  -8.361
  319   2HH2  ARG  49          HH22      ARG  49  -9.890  -2.565  -9.578
  320    H    ALA  50           HN       ALA  50  -6.351   3.416  -4.295
  321    HA   ALA  50           HA       ALA  50  -5.177   4.844  -6.453
  322   1HB   ALA  50          HB1       ALA  50  -7.778   5.801  -6.760
  323   2HB   ALA  50          HB2       ALA  50  -7.927   4.045  -6.772
  324   3HB   ALA  50          HB3       ALA  50  -6.849   4.846  -7.915
  325    H    ARG  51           HN       ARG  51  -6.666   7.211  -6.327
  326    HA   ARG  51           HA       ARG  51  -6.863   7.927  -3.513
  327   1HB   ARG  51          HB2       ARG  51  -5.413  10.037  -4.235
  328   2HB   ARG  51          HB1       ARG  51  -4.674   8.575  -3.596
  329   1HG   ARG  51          HG2       ARG  51  -3.470   8.374  -5.437
  330   2HG   ARG  51          HG1       ARG  51  -4.943   8.259  -6.401
  331   1HD   ARG  51          HD2       ARG  51  -4.026  10.105  -7.366
  332   2HD   ARG  51          HD1       ARG  51  -4.920  10.888  -6.064
  333    HE   ARG  51           HE       ARG  51  -2.185  10.168  -5.443
  334   1HH1  ARG  51          HH11      ARG  51  -4.376  12.622  -6.584
  335   2HH1  ARG  51          HH12      ARG  51  -3.313  13.935  -6.198
  336   1HH2  ARG  51          HH21      ARG  51  -0.778  11.886  -4.928
  337   2HH2  ARG  51          HH22      ARG  51  -1.266  13.516  -5.256
  338    H    GLY  52           HN       GLY  52  -6.438   9.880  -6.449
  339   1HA   GLY  52          HA2       GLY  52  -7.714  11.714  -7.114
  340   2HA   GLY  52          HA1       GLY  52  -8.880  10.421  -7.350
  341    H    ASP  53           HN       ASP  53 -10.785  11.164  -6.687
  342    HA   ASP  53           HA       ASP  53 -11.070  13.079  -4.588
  343   1HB   ASP  53          HB2       ASP  53 -13.105  11.390  -6.056
  344   2HB   ASP  53          HB1       ASP  53 -13.521  12.645  -4.893
  345    H    ASP  54           HN       ASP  54 -10.733   9.706  -4.672
  346    HA   ASP  54           HA       ASP  54 -10.869   9.464  -1.851
  347   1HB   ASP  54          HB2       ASP  54 -13.222   8.527  -3.462
  348   2HB   ASP  54          HB1       ASP  54 -12.762   7.677  -1.990
  349    H    LEU  55           HN       LEU  55 -12.014   6.931  -3.978
  350    HA   LEU  55           HA       LEU  55 -11.170   4.792  -4.196
  351   1HB   LEU  55          HB2       LEU  55  -8.840   6.365  -5.283
  352   2HB   LEU  55          HB1       LEU  55  -9.329   4.745  -5.743
  353    HG   LEU  55           HG       LEU  55 -11.524   6.529  -6.184
  354   1HD1  LEU  55          HD11      LEU  55  -9.140   7.327  -7.804
  355   2HD1  LEU  55          HD12      LEU  55  -9.504   8.138  -6.281
  356   3HD1  LEU  55          HD13      LEU  55 -10.680   8.160  -7.595
  357   1HD2  LEU  55          HD21      LEU  55 -11.320   5.686  -8.465
  358   2HD2  LEU  55          HD22      LEU  55 -11.172   4.378  -7.290
  359   3HD2  LEU  55          HD23      LEU  55  -9.733   5.018  -8.084
  360    H    ASP  56           HN       ASP  56 -10.789   3.901  -2.220
  361    HA   ASP  56           HA       ASP  56  -8.031   4.107  -1.200
  362   1HB   ASP  56          HB2       ASP  56 -10.379   3.562   0.589
  363   2HB   ASP  56          HB1       ASP  56  -8.767   4.123   1.023
  364    H    ASP  57           HN       ASP  57  -8.391   2.163   0.813
  365    HA   ASP  57           HA       ASP  57  -9.519  -0.234   0.149
  366   1HB   ASP  57          HB2       ASP  57  -7.548   0.425  -1.764
  367   2HB   ASP  57          HB1       ASP  57  -6.890  -0.882  -0.791
  368    H    TYR  58           HN       TYR  58  -8.903  -1.932   1.490
  369    HA   TYR  58           HA       TYR  58  -7.087  -1.169   3.644
  370   1HB   TYR  58          HB2       TYR  58  -9.389  -3.064   3.458
  371   2HB   TYR  58          HB1       TYR  58  -8.162  -3.318   4.699
  372    HD1  TYR  58           HD1      TYR  58  -8.120  -1.996   6.655
  373    HD2  TYR  58           HD2      TYR  58 -10.611  -0.866   3.398
  374    HE1  TYR  58           HE1      TYR  58  -9.181  -0.286   8.067
  375    HE2  TYR  58           HE2      TYR  58 -11.682   0.846   4.800
  376    HH   TYR  58           HH       TYR  58 -12.041   1.349   7.140
  377    H    CYS  59           HN       CYS  59  -5.756  -2.897   4.631
  378    HA   CYS  59           HA       CYS  59  -4.517  -4.484   2.504
  379   1HB   CYS  59          HB2       CYS  59  -3.492  -2.750   4.551
  380   2HB   CYS  59          HB1       CYS  59  -2.717  -4.325   4.624
  381    H    ASN  60           HN       ASN  60  -5.728  -6.315   2.697
  382    HA   ASN  60           HA       ASN  60  -5.178  -8.014   5.033
  383   1HB   ASN  60          HB2       ASN  60  -7.700  -8.298   3.406
  384   2HB   ASN  60          HB1       ASN  60  -7.370  -8.874   5.038
  385   1HD2  ASN  60          HD21      ASN  60  -6.200  -6.402   5.920
  386   2HD2  ASN  60          HD22      ASN  60  -7.491  -5.272   6.101
  387    H    GLY  61           HN       GLY  61  -4.255  -9.977   4.453
  388   1HA   GLY  61          HA2       GLY  61  -3.353 -11.595   3.054
  389   2HA   GLY  61          HA1       GLY  61  -4.773 -11.352   2.045
  390    H    ILE  62           HN       ILE  62  -3.002  -8.561   2.682
  391    HA   ILE  62           HA       ILE  62  -2.243  -8.274  -0.072
  392    HB   ILE  62           HB       ILE  62  -1.595  -6.018   0.514
  393   1HG1  ILE  62          HG12      ILE  62  -0.851  -5.569   2.582
  394   2HG1  ILE  62          HG11      ILE  62  -2.528  -5.576   3.078
  395   1HG2  ILE  62          HG21      ILE  62  -3.962  -6.650   0.073
  396   2HG2  ILE  62          HG22      ILE  62  -3.747  -5.172   1.007
  397   3HG2  ILE  62          HG23      ILE  62  -4.212  -6.666   1.814
  398   1HD1  ILE  62          HD11      ILE  62  -1.177  -8.194   3.123
  399   2HD1  ILE  62          HD12      ILE  62  -2.315  -7.476   4.246
  400   3HD1  ILE  62          HD13      ILE  62  -0.622  -6.996   4.279
  401    H    SER  63           HN       SER  63  -0.488  -9.751  -0.351
  402    HA   SER  63           HA       SER  63   1.914  -9.191   1.214
  403   1HB   SER  63          HB2       SER  63   2.850 -11.136   0.296
  404   2HB   SER  63          HB1       SER  63   1.155 -11.541   0.562
  405    HG   SER  63           HG       SER  63   0.774 -11.404  -1.589
  406    H    ALA  64           HN       ALA  64   0.533  -7.472  -0.850
  407    HA   ALA  64           HA       ALA  64   1.936  -5.649  -1.741
  408   1HB   ALA  64          HB1       ALA  64   3.959  -6.696  -2.206
  409   2HB   ALA  64          HB2       ALA  64   3.269  -6.375  -3.794
  410   3HB   ALA  64          HB3       ALA  64   3.185  -7.993  -3.113
  411    H    GLY  65           HN       GLY  65  -0.685  -6.780  -1.953
  412   1HA   GLY  65          HA2       GLY  65  -1.355  -5.837  -4.631
  413   2HA   GLY  65          HA1       GLY  65  -1.871  -7.464  -4.203
  414    H    CYS  66           HN       CYS  66  -3.870  -7.617  -3.420
  415    HA   CYS  66           HA       CYS  66  -4.910  -5.908  -1.416
  416   1HB   CYS  66          HB2       CYS  66  -5.715  -5.356  -4.242
  417   2HB   CYS  66          HB1       CYS  66  -6.899  -5.166  -2.957
  418    HA   PRO  67           HA       PRO  67  -7.273  -9.582  -0.733
  419   1HB   PRO  67          HB2       PRO  67  -9.388  -8.387   0.611
  420   2HB   PRO  67          HB1       PRO  67  -7.870  -8.899   1.354
  421   1HG   PRO  67          HG2       PRO  67  -8.719  -6.183   0.453
  422   2HG   PRO  67          HG1       PRO  67  -7.779  -6.651   1.880
  423   1HD   PRO  67          HD2       PRO  67  -6.604  -5.592  -0.285
  424   2HD   PRO  67          HD1       PRO  67  -5.819  -6.862   0.674
  425    H    ARG  68           HN       ARG  68 -10.052  -9.692  -0.546
  426    HA   ARG  68           HA       ARG  68 -11.134  -8.548  -2.993
  427   1HB   ARG  68          HB2       ARG  68 -11.070 -11.536  -2.536
  428   2HB   ARG  68          HB1       ARG  68 -11.862 -10.713  -3.873
  429   1HG   ARG  68          HG2       ARG  68  -9.404  -9.755  -4.217
  430   2HG   ARG  68          HG1       ARG  68  -8.995 -11.273  -3.415
  431   1HD   ARG  68          HD2       ARG  68 -10.996 -11.782  -5.380
  432   2HD   ARG  68          HD1       ARG  68  -9.700 -10.846  -6.124
  433    HE   ARG  68           HE       ARG  68  -8.279 -12.641  -5.860
  434   1HH1  ARG  68          HH11      ARG  68 -11.245 -13.206  -4.124
  435   2HH1  ARG  68          HH12      ARG  68 -10.900 -14.875  -3.818
  436   1HH2  ARG  68          HH21      ARG  68  -7.814 -14.837  -5.464
  437   2HH2  ARG  68          HH22      ARG  68  -8.948 -15.803  -4.580
  438    H    ASN  69           HN       ASN  69 -11.861  -7.870  -0.452
  439    HA   ASN  69           HA       ASN  69 -14.639  -8.410  -0.477
  440   1HB   ASN  69          HB2       ASN  69 -12.944  -9.912   1.470
  441   2HB   ASN  69          HB1       ASN  69 -14.563  -9.403   1.944
  442   1HD2  ASN  69          HD21      ASN  69 -16.121  -9.800  -0.102
  443   2HD2  ASN  69          HD22      ASN  69 -16.088 -11.436  -0.655
  444    HA   PRO  70           HA       PRO  70 -13.966  -5.525   3.214
  445   1HB   PRO  70          HB2       PRO  70 -11.637  -5.476   4.536
  446   2HB   PRO  70          HB1       PRO  70 -12.851  -6.725   4.844
  447   1HG   PRO  70          HG2       PRO  70 -10.402  -6.865   3.113
  448   2HG   PRO  70          HG1       PRO  70 -10.966  -8.023   4.335
  449   1HD   PRO  70          HD2       PRO  70 -11.429  -8.373   1.697
  450   2HD   PRO  70          HD1       PRO  70 -12.584  -8.894   2.942
  451    H    PHE  71           HN       PHE  71 -13.817  -3.455   2.618
  452    HA   PHE  71           HA       PHE  71 -11.337  -2.229   1.907
  453   1HB   PHE  71          HB2       PHE  71 -13.410  -2.656  -0.250
  454   2HB   PHE  71          HB1       PHE  71 -12.087  -1.503  -0.377
  455    HD1  PHE  71           HD1      PHE  71 -13.121  -4.828  -0.977
  456    HD2  PHE  71           HD2      PHE  71  -9.704  -2.456  -0.091
  457    HE1  PHE  71           HE1      PHE  71 -11.665  -6.607  -1.851
  458    HE2  PHE  71           HE2      PHE  71  -8.239  -4.229  -0.965
  459    HZ   PHE  71           HZ       PHE  71  -9.221  -6.309  -1.849
  460    H    HIS  72           HN       HIS  72 -12.133   0.040   0.678
  461    HA   HIS  72           HA       HIS  72 -13.742   1.300   2.746
  462   1HB   HIS  72          HB2       HIS  72 -11.823   2.562   2.282
  463   2HB   HIS  72          HB1       HIS  72 -11.965   2.315   0.545
  464    HD1  HIS  72           HD1      HIS  72 -13.644   4.242   3.345
  465    HD2  HIS  72           HD2      HIS  72 -13.266   4.307  -0.793
  466    HE1  HIS  72           HE1      HIS  72 -14.728   6.387   2.604
  467    HE2  HIS  72           HE2      HIS  72 -14.426   6.438   0.104
  468    H    ALA  73           HN       ALA  73 -13.788   0.822  -0.759
  469    HA   ALA  73           HA       ALA  73 -16.667   1.414  -0.725
  470   1HB   ALA  73          HB1       ALA  73 -15.485   3.380  -1.599
  471   2HB   ALA  73          HB2       ALA  73 -16.492   2.616  -2.830
  472   3HB   ALA  73          HB3       ALA  73 -14.745   2.373  -2.844
  Start of MODEL   18
    1   1H    GLU   1           HT1      GLU   1   3.262   3.611   9.289
    2   2H    GLU   1           HT2      GLU   1   3.360   2.672   7.856
    3   3H    GLU   1           HT3      GLU   1   4.470   2.405   9.137
    4    HA   GLU   1           HA       GLU   1   2.567   0.805   8.849
    5   1HB   GLU   1          HB2       GLU   1   4.112   1.649  10.967
    6   2HB   GLU   1          HB1       GLU   1   2.483   1.785  11.614
    7   1HG   GLU   1          HG2       GLU   1   3.392  -0.713  10.241
    8   2HG   GLU   1          HG1       GLU   1   3.765  -0.414  11.938
    9    H    ALA   2           HN       ALA   2   1.423   3.320   7.924
   10    HA   ALA   2           HA       ALA   2  -1.261   2.903   8.820
   11   1HB   ALA   2          HB1       ALA   2  -1.225   5.575   9.352
   12   2HB   ALA   2          HB2       ALA   2   0.324   5.054  10.016
   13   3HB   ALA   2          HB3       ALA   2  -1.172   4.300  10.569
   14    H    GLY   3           HN       GLY   3  -2.240   2.906   6.907
   15   1HA   GLY   3          HA2       GLY   3  -1.505   3.822   4.501
   16   2HA   GLY   3          HA1       GLY   3  -3.182   3.869   5.021
   17    H    GLU   4           HN       GLU   4  -1.194   5.756   3.424
   18    HA   GLU   4           HA       GLU   4  -1.447   7.998   2.948
   19   1HB   GLU   4          HB2       GLU   4  -2.676   8.482   5.647
   20   2HB   GLU   4          HB1       GLU   4  -2.858   9.420   4.171
   21   1HG   GLU   4          HG2       GLU   4  -3.830   6.910   3.512
   22   2HG   GLU   4          HG1       GLU   4  -4.409   7.192   5.152
   23    H    GLU   5           HN       GLU   5  -0.365   6.897   6.098
   24    HA   GLU   5           HA       GLU   5   1.215   9.179   6.713
   25   1HB   GLU   5          HB2       GLU   5   1.441   6.333   7.712
   26   2HB   GLU   5          HB1       GLU   5   2.261   7.721   8.413
   27   1HG   GLU   5          HG2       GLU   5  -0.728   7.487   8.206
   28   2HG   GLU   5          HG1       GLU   5   0.200   6.972   9.613
   29    H    CYS   6           HN       CYS   6   2.000   9.175   4.363
   30    HA   CYS   6           HA       CYS   6   4.720   8.822   4.254
   31   1HB   CYS   6          HB2       CYS   6   4.669   6.494   4.313
   32   2HB   CYS   6          HB1       CYS   6   3.191   6.399   3.365
   33    H    ASP   7           HN       ASP   7   5.604   9.083   2.029
   34    HA   ASP   7           HA       ASP   7   3.688   9.851  -0.011
   35   1HB   ASP   7          HB2       ASP   7   5.624  11.835   1.200
   36   2HB   ASP   7          HB1       ASP   7   4.728  12.104  -0.293
   37    H    CYS   8           HN       CYS   8   5.267   7.727  -0.261
   38    HA   CYS   8           HA       CYS   8   7.438   8.656  -2.021
   39   1HB   CYS   8          HB2       CYS   8   7.343   6.210  -0.268
   40   2HB   CYS   8          HB1       CYS   8   8.494   6.429  -1.572
   41    H    GLY   9           HN       GLY   9   4.456   7.072  -1.963
   42   1HA   GLY   9          HA2       GLY   9   4.255   6.592  -4.635
   43   2HA   GLY   9          HA1       GLY   9   5.048   5.151  -4.035
   44    H    SER  10           HN       SER  10   3.305   3.839  -4.671
   45    HA   SER  10           HA       SER  10   1.301   3.428  -2.724
   46   1HB   SER  10          HB2       SER  10   0.162   4.278  -5.383
   47   2HB   SER  10          HB1       SER  10  -0.646   4.168  -3.820
   48    HG   SER  10           HG       SER  10   0.619   5.958  -3.140
   49    HA   PRO  11           HA       PRO  11   0.581  -0.542  -4.615
   50   1HB   PRO  11          HB2       PRO  11  -1.391   0.354  -6.670
   51   2HB   PRO  11          HB1       PRO  11  -1.460  -1.036  -5.579
   52   1HG   PRO  11          HG2       PRO  11  -2.883   1.168  -5.098
   53   2HG   PRO  11          HG1       PRO  11  -2.146   0.240  -3.780
   54   1HD   PRO  11          HD2       PRO  11  -1.348   2.858  -4.930
   55   2HD   PRO  11          HD1       PRO  11  -1.142   2.239  -3.280
   56    H    GLY  12           HN       GLY  12   2.595  -0.695  -5.494
   57   1HA   GLY  12          HA2       GLY  12   3.501  -1.519  -7.663
   58   2HA   GLY  12          HA1       GLY  12   2.795  -0.076  -8.387
   59    H    ASN  13           HN       ASN  13   3.467   1.499  -6.018
   60    HA   ASN  13           HA       ASN  13   6.376   1.739  -6.372
   61   1HB   ASN  13          HB2       ASN  13   4.241   3.861  -6.341
   62   2HB   ASN  13          HB1       ASN  13   5.889   4.246  -5.855
   63   1HD2  ASN  13          HD21      ASN  13   6.126   5.657  -7.592
   64   2HD2  ASN  13          HD22      ASN  13   6.349   5.088  -9.208
   65    HA   PRO  14           HA       PRO  14   4.875   0.481  -1.977
   66   1HB   PRO  14          HB2       PRO  14   7.715  -0.176  -1.932
   67   2HB   PRO  14          HB1       PRO  14   6.330  -1.234  -1.695
   68   1HG   PRO  14          HG2       PRO  14   7.874  -0.704  -4.142
   69   2HG   PRO  14          HG1       PRO  14   6.818  -2.075  -3.767
   70   1HD   PRO  14          HD2       PRO  14   6.089  -0.242  -5.569
   71   2HD   PRO  14          HD1       PRO  14   4.889  -0.922  -4.440
   72    H    CYS  15           HN       CYS  15   4.750   2.202  -0.685
   73    HA   CYS  15           HA       CYS  15   5.734   4.585  -0.557
   74   1HB   CYS  15          HB2       CYS  15   4.492   3.745   1.327
   75   2HB   CYS  15          HB1       CYS  15   5.816   2.694   1.799
   76    H    CYS  16           HN       CYS  16   7.629   4.719  -1.786
   77    HA   CYS  16           HA       CYS  16   9.821   5.277  -1.911
   78   1HB   CYS  16          HB2       CYS  16   9.517   4.823   0.938
   79   2HB   CYS  16          HB1       CYS  16  11.114   4.358   0.368
   80    H    ASP  17           HN       ASP  17  11.218   4.273  -3.105
   81    HA   ASP  17           HA       ASP  17  11.984   1.526  -2.557
   82   1HB   ASP  17          HB2       ASP  17  11.503   1.014  -5.061
   83   2HB   ASP  17          HB1       ASP  17  10.184   0.948  -3.896
   84    H    ALA  18           HN       ALA  18  12.726   4.600  -3.876
   85    HA   ALA  18           HA       ALA  18  14.788   5.432  -4.443
   86   1HB   ALA  18          HB1       ALA  18  15.641   3.294  -3.240
   87   2HB   ALA  18          HB2       ALA  18  16.711   4.151  -4.350
   88   3HB   ALA  18          HB3       ALA  18  15.885   2.684  -4.876
   89    H    ALA  19           HN       ALA  19  13.641   2.600  -6.188
   90    HA   ALA  19           HA       ALA  19  13.343   3.988  -8.630
   91   1HB   ALA  19          HB1       ALA  19  15.780   3.804  -8.657
   92   2HB   ALA  19          HB2       ALA  19  15.048   2.847  -9.945
   93   3HB   ALA  19          HB3       ALA  19  15.651   2.054  -8.490
   94    H    THR  20           HN       THR  20  13.637   0.963  -6.887
   95    HA   THR  20           HA       THR  20  11.319  -0.081  -8.302
   96    HB   THR  20           HB       THR  20  13.219  -0.994  -9.559
   97    HG1  THR  20           HG1      THR  20  12.804  -3.300  -8.936
   98   1HG2  THR  20          HG21      THR  20  14.176  -2.681  -7.355
   99   2HG2  THR  20          HG22      THR  20  14.650  -0.983  -7.284
  100   3HG2  THR  20          HG23      THR  20  15.053  -1.953  -8.701
  101    H    CYS  21           HN       CYS  21  10.040  -1.336  -6.990
  102    HA   CYS  21           HA       CYS  21   9.693  -1.051  -4.436
  103   1HB   CYS  21          HB2       CYS  21   9.710  -3.813  -5.672
  104   2HB   CYS  21          HB1       CYS  21   8.873  -3.365  -4.191
  105    H    LYS  22           HN       LYS  22  11.643  -0.496  -3.326
  106    HA   LYS  22           HA       LYS  22  12.762  -2.624  -1.833
  107   1HB   LYS  22          HB2       LYS  22  14.095  -3.202  -3.671
  108   2HB   LYS  22          HB1       LYS  22  14.391  -1.524  -4.102
  109   1HG   LYS  22          HG2       LYS  22  15.377  -2.061  -1.458
  110   2HG   LYS  22          HG1       LYS  22  16.037  -3.219  -2.616
  111   1HD   LYS  22          HD2       LYS  22  16.006  -0.438  -3.551
  112   2HD   LYS  22          HD1       LYS  22  17.046  -0.731  -2.155
  113   1HE   LYS  22          HE2       LYS  22  18.326  -1.022  -4.176
  114   2HE   LYS  22          HE1       LYS  22  18.115  -2.586  -3.389
  115   1HZ   LYS  22          HZ1       LYS  22  16.699  -3.316  -5.014
  116   2HZ   LYS  22          HZ2       LYS  22  17.720  -2.330  -5.933
  117   3HZ   LYS  22          HZ3       LYS  22  16.200  -1.761  -5.457
  118    H    LEU  23           HN       LEU  23  12.111  -1.182  -0.145
  119    HA   LEU  23           HA       LEU  23  13.886   1.146   0.185
  120   1HB   LEU  23          HB2       LEU  23  12.134   1.983   1.779
  121   2HB   LEU  23          HB1       LEU  23  11.672   1.953   0.091
  122    HG   LEU  23           HG       LEU  23  10.915  -0.254   1.992
  123   1HD1  LEU  23          HD11      LEU  23   9.918   2.456   1.889
  124   2HD1  LEU  23          HD12      LEU  23   9.569   1.167   3.038
  125   3HD1  LEU  23          HD13      LEU  23   8.655   1.278   1.535
  126   1HD2  LEU  23          HD21      LEU  23  10.640   0.153  -0.801
  127   2HD2  LEU  23          HD22      LEU  23   9.035   0.246  -0.075
  128   3HD2  LEU  23          HD23      LEU  23  10.037  -1.183   0.181
  129    H    ARG  24           HN       ARG  24  14.248   1.709   2.550
  130    HA   ARG  24           HA       ARG  24  14.989  -0.752   3.958
  131   1HB   ARG  24          HB2       ARG  24  15.989   2.082   4.107
  132   2HB   ARG  24          HB1       ARG  24  16.373   0.904   5.355
  133   1HG   ARG  24          HG2       ARG  24  17.447  -0.521   3.704
  134   2HG   ARG  24          HG1       ARG  24  17.028   0.624   2.429
  135   1HD   ARG  24          HD2       ARG  24  18.846   1.825   2.860
  136   2HD   ARG  24          HD1       ARG  24  18.357   2.013   4.544
  137    HE   ARG  24           HE       ARG  24  19.492  -0.541   4.149
  138   1HH1  ARG  24          HH11      ARG  24  20.363   2.825   4.342
  139   2HH1  ARG  24          HH12      ARG  24  21.968   2.511   4.915
  140   1HH2  ARG  24          HH21      ARG  24  21.603  -0.966   4.904
  141   2HH2  ARG  24          HH22      ARG  24  22.673   0.355   5.235
  142    H    GLN  25           HN       GLN  25  12.532   1.458   3.964
  143    HA   GLN  25           HA       GLN  25  12.126   1.253   6.869
  144   1HB   GLN  25          HB2       GLN  25  10.422   3.094   6.476
  145   2HB   GLN  25          HB1       GLN  25  12.110   3.535   6.260
  146   1HG   GLN  25          HG2       GLN  25  11.860   3.312   3.841
  147   2HG   GLN  25          HG1       GLN  25  10.167   2.874   4.059
  148   1HE2  GLN  25          HE21      GLN  25  11.297   5.097   2.585
  149   2HE2  GLN  25          HE22      GLN  25  10.638   6.534   3.283
  150    H    GLY  26           HN       GLY  26  11.127  -0.058   3.966
  151   1HA   GLY  26          HA2       GLY  26   9.495  -1.607   3.488
  152   2HA   GLY  26          HA1       GLY  26   9.099  -1.622   5.198
  153    H    ALA  27           HN       ALA  27   7.999  -0.860   2.159
  154    HA   ALA  27           HA       ALA  27   6.229   1.291   2.930
  155   1HB   ALA  27          HB1       ALA  27   6.939  -0.096   0.390
  156   2HB   ALA  27          HB2       ALA  27   6.952   1.624   0.778
  157   3HB   ALA  27          HB3       ALA  27   5.422   0.800   0.478
  158    H    GLN  28           HN       GLN  28   5.924  -1.372   4.211
  159    HA   GLN  28           HA       GLN  28   3.835  -2.911   3.258
  160   1HB   GLN  28          HB2       GLN  28   3.784  -2.399   6.162
  161   2HB   GLN  28          HB1       GLN  28   3.776  -3.919   5.280
  162   1HG   GLN  28          HG2       GLN  28   5.826  -4.073   6.159
  163   2HG   GLN  28          HG1       GLN  28   6.253  -3.141   4.724
  164   1HE2  GLN  28          HE21      GLN  28   4.714  -2.220   7.781
  165   2HE2  GLN  28          HE22      GLN  28   5.879  -1.017   8.209
  166    H    CYS  29           HN       CYS  29   2.032  -2.043   2.426
  167    HA   CYS  29           HA       CYS  29   0.144  -0.747   2.224
  168   1HB   CYS  29          HB2       CYS  29  -0.014  -1.788   5.061
  169   2HB   CYS  29          HB1       CYS  29  -1.340  -0.935   4.281
  170    H    ALA  30           HN       ALA  30   2.304   0.791   2.558
  171    HA   ALA  30           HA       ALA  30   1.865   2.638   4.731
  172   1HB   ALA  30          HB1       ALA  30   3.811   3.868   3.654
  173   2HB   ALA  30          HB2       ALA  30   3.895   2.513   2.528
  174   3HB   ALA  30          HB3       ALA  30   4.133   2.241   4.251
  175    H    GLU  31           HN       GLU  31   2.875   4.645   2.314
  176    HA   GLU  31           HA       GLU  31   0.338   5.951   2.113
  177   1HB   GLU  31          HB2       GLU  31   2.369   7.278   1.962
  178   2HB   GLU  31          HB1       GLU  31   2.922   6.346   0.578
  179   1HG   GLU  31          HG2       GLU  31   0.488   7.256  -0.267
  180   2HG   GLU  31          HG1       GLU  31   1.075   8.598   0.714
  181    H    GLY  32           HN       GLY  32  -0.549   3.771   1.481
  182   1HA   GLY  32          HA2       GLY  32  -1.924   2.992  -0.274
  183   2HA   GLY  32          HA1       GLY  32  -0.790   3.680  -1.437
  184    H    LEU  33           HN       LEU  33  -1.814   0.945  -1.275
  185    HA   LEU  33           HA       LEU  33  -0.376  -0.947  -0.123
  186   1HB   LEU  33          HB2       LEU  33  -2.131  -1.025  -2.076
  187   2HB   LEU  33          HB1       LEU  33  -0.700  -1.270  -3.062
  188    HG   LEU  33           HG       LEU  33  -1.998  -3.330  -2.170
  189   1HD1  LEU  33          HD11      LEU  33   0.777  -2.786  -2.686
  190   2HD1  LEU  33          HD12      LEU  33  -0.189  -4.197  -3.107
  191   3HD1  LEU  33          HD13      LEU  33   0.598  -4.106  -1.532
  192   1HD2  LEU  33          HD21      LEU  33  -1.685  -2.232   0.238
  193   2HD2  LEU  33          HD22      LEU  33  -0.185  -3.155   0.174
  194   3HD2  LEU  33          HD23      LEU  33  -1.735  -3.979   0.002
  195    H    CYS  34           HN       CYS  34   1.416  -2.349  -0.778
  196    HA   CYS  34           HA       CYS  34   3.608  -0.894  -2.087
  197   1HB   CYS  34          HB2       CYS  34   4.526  -0.856  -0.021
  198   2HB   CYS  34          HB1       CYS  34   3.445  -2.092   0.593
  199    H    CYS  35           HN       CYS  35   5.434  -2.476  -2.700
  200    HA   CYS  35           HA       CYS  35   4.319  -5.023  -3.588
  201   1HB   CYS  35          HB2       CYS  35   4.285  -4.328  -5.718
  202   2HB   CYS  35          HB1       CYS  35   4.993  -2.789  -5.258
  203    H    ASP  36           HN       ASP  36   6.919  -3.395  -2.182
  204    HA   ASP  36           HA       ASP  36   8.874  -5.418  -2.900
  205   1HB   ASP  36          HB2       ASP  36  10.031  -3.925  -0.881
  206   2HB   ASP  36          HB1       ASP  36  10.238  -3.680  -2.606
  207    H    GLN  37           HN       GLN  37  10.357  -5.959  -0.855
  208    HA   GLN  37           HA       GLN  37   9.061  -7.942   0.557
  209   1HB   GLN  37          HB2       GLN  37  11.628  -6.458   1.026
  210   2HB   GLN  37          HB1       GLN  37  11.080  -7.682   2.163
  211   1HG   GLN  37          HG2       GLN  37  12.350  -9.002   0.849
  212   2HG   GLN  37          HG1       GLN  37  10.853  -9.093  -0.078
  213   1HE2  GLN  37          HE21      GLN  37  12.390  -9.674  -1.798
  214   2HE2  GLN  37          HE22      GLN  37  13.116  -8.401  -2.713
  215    H    CYS  38           HN       CYS  38   8.997  -4.571   1.051
  216    HA   CYS  38           HA       CYS  38   8.829  -3.817   3.531
  217   1HB   CYS  38          HB2       CYS  38   7.038  -2.369   3.078
  218   2HB   CYS  38          HB1       CYS  38   7.733  -2.667   1.488
  219    H    ARG  39           HN       ARG  39   6.363  -5.949   2.150
  220    HA   ARG  39           HA       ARG  39   5.310  -7.720   3.237
  221   1HB   ARG  39          HB2       ARG  39   5.654  -8.245   5.431
  222   2HB   ARG  39          HB1       ARG  39   7.040  -7.194   5.203
  223   1HG   ARG  39          HG2       ARG  39   6.336  -5.860   6.816
  224   2HG   ARG  39          HG1       ARG  39   4.789  -5.619   6.012
  225   1HD   ARG  39          HD2       ARG  39   5.526  -7.837   7.913
  226   2HD   ARG  39          HD1       ARG  39   4.410  -6.509   8.213
  227    HE   ARG  39           HE       ARG  39   2.827  -7.543   6.831
  228   1HH1  ARG  39          HH11      ARG  39   5.771  -9.415   7.031
  229   2HH1  ARG  39          HH12      ARG  39   5.033 -10.863   6.437
  230   1HH2  ARG  39          HH21      ARG  39   1.864  -9.449   6.048
  231   2HH2  ARG  39          HH22      ARG  39   2.820 -10.883   5.877
  232    H    PHE  40           HN       PHE  40   3.216  -7.711   4.803
  233    HA   PHE  40           HA       PHE  40   1.895  -5.130   4.662
  234   1HB   PHE  40          HB2       PHE  40   0.769  -7.493   3.159
  235   2HB   PHE  40          HB1       PHE  40   0.150  -5.837   3.177
  236    HD1  PHE  40           HD1      PHE  40   1.099  -4.153   1.822
  237    HD2  PHE  40           HD2      PHE  40   2.944  -7.976   2.078
  238    HE1  PHE  40           HE1      PHE  40   2.610  -3.550   0.000
  239    HE2  PHE  40           HE2      PHE  40   4.467  -7.372   0.255
  240    HZ   PHE  40           HZ       PHE  40   4.308  -5.143  -0.788
  241    H    MET  41           HN       MET  41   0.025  -4.937   5.834
  242    HA   MET  41           HA       MET  41  -0.113  -6.363   8.208
  243   1HB   MET  41          HB2       MET  41  -1.508  -4.168   6.952
  244   2HB   MET  41          HB1       MET  41  -2.620  -5.185   7.859
  245   1HG   MET  41          HG2       MET  41  -0.125  -3.882   8.924
  246   2HG   MET  41          HG1       MET  41  -1.786  -3.382   9.238
  247   1HE   MET  41          HE1       MET  41  -3.222  -4.086  10.622
  248   2HE   MET  41          HE2       MET  41  -2.426  -4.252  12.187
  249   3HE   MET  41          HE3       MET  41  -3.327  -5.607  11.508
  250    H    LYS  42           HN       LYS  42  -2.991  -6.081   6.213
  251    HA   LYS  42           HA       LYS  42  -4.086  -7.944   5.131
  252   1HB   LYS  42          HB2       LYS  42  -2.544  -9.670   5.959
  253   2HB   LYS  42          HB1       LYS  42  -3.184  -9.470   7.585
  254   1HG   LYS  42          HG2       LYS  42  -4.624 -11.083   7.135
  255   2HG   LYS  42          HG1       LYS  42  -5.411  -9.987   5.998
  256   1HD   LYS  42          HD2       LYS  42  -4.923 -11.509   4.440
  257   2HD   LYS  42          HD1       LYS  42  -3.267 -10.913   4.560
  258   1HE   LYS  42          HE2       LYS  42  -2.654 -12.645   6.054
  259   2HE   LYS  42          HE1       LYS  42  -4.334 -13.107   6.320
  260   1HZ   LYS  42          HZ1       LYS  42  -4.306 -14.419   4.542
  261   2HZ   LYS  42          HZ2       LYS  42  -2.624 -14.245   4.533
  262   3HZ   LYS  42          HZ3       LYS  42  -3.582 -13.245   3.562
  263    H    GLU  43           HN       GLU  43  -4.097  -6.408   8.120
  264    HA   GLU  43           HA       GLU  43  -6.943  -6.995   8.554
  265   1HB   GLU  43          HB2       GLU  43  -5.468  -7.537  10.438
  266   2HB   GLU  43          HB1       GLU  43  -4.901  -5.873  10.474
  267   1HG   GLU  43          HG2       GLU  43  -6.625  -5.226  11.706
  268   2HG   GLU  43          HG1       GLU  43  -7.779  -5.998  10.619
  269    H    GLY  44           HN       GLY  44  -7.700  -5.541   7.037
  270   1HA   GLY  44          HA2       GLY  44  -8.052  -3.457   6.050
  271   2HA   GLY  44          HA1       GLY  44  -8.726  -3.216   7.647
  272    H    THR  45           HN       THR  45  -5.582  -3.050   5.941
  273    HA   THR  45           HA       THR  45  -4.935  -0.794   7.692
  274    HB   THR  45           HB       THR  45  -3.053  -2.114   5.746
  275    HG1  THR  45           HG1      THR  45  -4.084  -3.445   7.543
  276   1HG2  THR  45          HG21      THR  45  -1.346  -1.294   7.286
  277   2HG2  THR  45          HG22      THR  45  -2.603  -0.484   8.222
  278   3HG2  THR  45          HG23      THR  45  -2.280   0.015   6.561
  279    H    ILE  46           HN       ILE  46  -3.644  -1.059   4.454
  280    HA   ILE  46           HA       ILE  46  -5.546   0.686   3.298
  281    HB   ILE  46           HB       ILE  46  -3.325   1.929   4.675
  282   1HG1  ILE  46          HG12      ILE  46  -4.922   3.905   3.632
  283   2HG1  ILE  46          HG11      ILE  46  -6.011   2.523   3.668
  284   1HG2  ILE  46          HG21      ILE  46  -3.053   3.678   2.771
  285   2HG2  ILE  46          HG22      ILE  46  -3.487   2.330   1.719
  286   3HG2  ILE  46          HG23      ILE  46  -2.068   2.215   2.760
  287   1HD1  ILE  46          HD11      ILE  46  -5.045   4.176   5.829
  288   2HD1  ILE  46          HD12      ILE  46  -4.767   2.461   6.137
  289   3HD1  ILE  46          HD13      ILE  46  -6.395   3.042   5.787
  290    H    CYS  47           HN       CYS  47  -5.662  -0.660   1.584
  291    HA   CYS  47           HA       CYS  47  -3.225  -1.193   0.048
  292   1HB   CYS  47          HB2       CYS  47  -4.182  -3.092  -0.657
  293   2HB   CYS  47          HB1       CYS  47  -5.304  -2.844   0.668
  294    H    ARG  48           HN       ARG  48  -4.832   1.355   0.356
  295    HA   ARG  48           HA       ARG  48  -6.253   2.599  -1.267
  296   1HB   ARG  48          HB2       ARG  48  -3.300   3.224  -1.388
  297   2HB   ARG  48          HB1       ARG  48  -4.595   4.337  -1.787
  298   1HG   ARG  48          HG2       ARG  48  -5.053   3.311   0.827
  299   2HG   ARG  48          HG1       ARG  48  -3.387   3.884   0.713
  300   1HD   ARG  48          HD2       ARG  48  -4.048   6.005   0.756
  301   2HD   ARG  48          HD1       ARG  48  -5.169   5.732  -0.576
  302    HE   ARG  48           HE       ARG  48  -6.341   4.697   1.725
  303   1HH1  ARG  48          HH11      ARG  48  -5.323   7.782   0.472
  304   2HH1  ARG  48          HH12      ARG  48  -6.517   8.679   1.350
  305   1HH2  ARG  48          HH21      ARG  48  -7.917   5.868   2.888
  306   2HH2  ARG  48          HH22      ARG  48  -7.991   7.591   2.724
  307    H    ARG  49           HN       ARG  49  -7.021   2.486  -3.264
  308    HA   ARG  49           HA       ARG  49  -5.383   2.356  -5.573
  309   1HB   ARG  49          HB2       ARG  49  -5.863  -0.133  -4.413
  310   2HB   ARG  49          HB1       ARG  49  -7.026  -0.035  -5.729
  311   1HG   ARG  49          HG2       ARG  49  -4.472   0.881  -6.638
  312   2HG   ARG  49          HG1       ARG  49  -4.305  -0.700  -5.873
  313   1HD   ARG  49          HD2       ARG  49  -5.922   0.091  -8.261
  314   2HD   ARG  49          HD1       ARG  49  -4.787  -1.245  -8.074
  315    HE   ARG  49           HE       ARG  49  -6.702  -1.965  -6.374
  316   1HH1  ARG  49          HH11      ARG  49  -6.901  -0.749  -9.631
  317   2HH1  ARG  49          HH12      ARG  49  -8.362  -1.603 -10.000
  318   1HH2  ARG  49          HH21      ARG  49  -8.627  -3.096  -6.849
  319   2HH2  ARG  49          HH22      ARG  49  -9.344  -2.937  -8.418
  320    H    ALA  50           HN       ALA  50  -7.008   4.254  -5.343
  321    HA   ALA  50           HA       ALA  50  -9.472   3.512  -6.782
  322   1HB   ALA  50          HB1       ALA  50 -10.726   5.073  -5.600
  323   2HB   ALA  50          HB2       ALA  50  -9.298   5.949  -5.049
  324   3HB   ALA  50          HB3       ALA  50  -9.685   4.372  -4.361
  325    H    ARG  51           HN       ARG  51 -10.338   6.082  -7.387
  326    HA   ARG  51           HA       ARG  51  -8.158   7.181  -9.026
  327   1HB   ARG  51          HB2       ARG  51 -10.160   7.666 -10.684
  328   2HB   ARG  51          HB1       ARG  51  -9.299   6.134 -10.715
  329   1HG   ARG  51          HG2       ARG  51 -11.102   4.977 -10.088
  330   2HG   ARG  51          HG1       ARG  51 -11.556   6.166  -8.866
  331   1HD   ARG  51          HD2       ARG  51 -12.932   7.283 -10.272
  332   2HD   ARG  51          HD1       ARG  51 -11.900   7.000 -11.674
  333    HE   ARG  51           HE       ARG  51 -14.182   5.517 -10.960
  334   1HH1  ARG  51          HH11      ARG  51 -10.937   5.075 -12.143
  335   2HH1  ARG  51          HH12      ARG  51 -11.305   3.606 -12.984
  336   1HH2  ARG  51          HH21      ARG  51 -14.678   3.583 -12.063
  337   2HH2  ARG  51          HH22      ARG  51 -13.432   2.758 -12.939
  338    H    GLY  52           HN       GLY  52 -11.438   8.322  -9.290
  339   1HA   GLY  52          HA2       GLY  52 -12.147  10.532  -9.068
  340   2HA   GLY  52          HA1       GLY  52 -11.904  10.111  -7.380
  341    H    ASP  53           HN       ASP  53 -10.824  11.616  -6.320
  342    HA   ASP  53           HA       ASP  53  -8.858  13.244  -7.772
  343   1HB   ASP  53          HB2       ASP  53 -10.897  14.152  -6.322
  344   2HB   ASP  53          HB1       ASP  53  -9.739  13.946  -5.011
  345    H    ASP  54           HN       ASP  54  -9.007  10.616  -5.752
  346    HA   ASP  54           HA       ASP  54  -6.187  10.719  -5.215
  347   1HB   ASP  54          HB2       ASP  54  -8.044  10.555  -2.836
  348   2HB   ASP  54          HB1       ASP  54  -6.284  10.606  -2.817
  349    H    LEU  55           HN       LEU  55  -6.277   8.755  -3.108
  350    HA   LEU  55           HA       LEU  55  -7.612   6.495  -4.425
  351   1HB   LEU  55          HB2       LEU  55  -4.821   6.287  -3.323
  352   2HB   LEU  55          HB1       LEU  55  -5.682   5.126  -4.317
  353    HG   LEU  55           HG       LEU  55  -4.447   7.735  -5.156
  354   1HD1  LEU  55          HD11      LEU  55  -3.236   6.363  -6.713
  355   2HD1  LEU  55          HD12      LEU  55  -4.165   4.940  -6.243
  356   3HD1  LEU  55          HD13      LEU  55  -3.055   5.688  -5.094
  357   1HD2  LEU  55          HD21      LEU  55  -6.021   8.033  -6.690
  358   2HD2  LEU  55          HD22      LEU  55  -6.865   6.581  -6.153
  359   3HD2  LEU  55          HD23      LEU  55  -5.607   6.465  -7.384
  360    H    ASP  56           HN       ASP  56  -8.455   4.973  -3.080
  361    HA   ASP  56           HA       ASP  56  -7.774   5.025  -0.245
  362   1HB   ASP  56          HB2       ASP  56 -10.475   5.681  -1.382
  363   2HB   ASP  56          HB1       ASP  56 -10.341   4.921   0.201
  364    H    ASP  57           HN       ASP  57  -7.953   3.054   0.732
  365    HA   ASP  57           HA       ASP  57  -9.596   0.946  -0.042
  366   1HB   ASP  57          HB2       ASP  57  -7.489   1.326  -1.870
  367   2HB   ASP  57          HB1       ASP  57  -7.054  -0.087  -0.916
  368    H    TYR  58           HN       TYR  58  -9.282  -0.928   1.203
  369    HA   TYR  58           HA       TYR  58  -7.494  -0.517   3.479
  370   1HB   TYR  58          HB2       TYR  58 -10.041  -2.041   3.110
  371   2HB   TYR  58          HB1       TYR  58  -8.941  -2.475   4.419
  372    HD1  TYR  58           HD1      TYR  58  -9.506  -1.561   6.460
  373    HD2  TYR  58           HD2      TYR  58 -10.244   0.698   2.933
  374    HE1  TYR  58           HE1      TYR  58 -10.379   0.285   7.830
  375    HE2  TYR  58           HE2      TYR  58 -11.123   2.549   4.290
  376    HH   TYR  58           HH       TYR  58 -11.837   3.138   6.361
  377    H    CYS  59           HN       CYS  59  -6.368  -2.325   4.405
  378    HA   CYS  59           HA       CYS  59  -5.273  -4.029   2.302
  379   1HB   CYS  59          HB2       CYS  59  -4.238  -2.726   4.703
  380   2HB   CYS  59          HB1       CYS  59  -3.556  -4.303   4.366
  381    H    ASN  60           HN       ASN  60  -6.118  -5.970   2.191
  382    HA   ASN  60           HA       ASN  60  -6.203  -7.675   4.563
  383   1HB   ASN  60          HB2       ASN  60  -8.361  -7.884   2.467
  384   2HB   ASN  60          HB1       ASN  60  -8.366  -8.498   4.117
  385   1HD2  ASN  60          HD21      ASN  60  -7.412  -6.115   5.317
  386   2HD2  ASN  60          HD22      ASN  60  -8.681  -4.949   5.244
  387    H    GLY  61           HN       GLY  61  -5.301  -9.698   4.086
  388   1HA   GLY  61          HA2       GLY  61  -3.933 -11.103   2.814
  389   2HA   GLY  61          HA1       GLY  61  -5.324 -11.105   1.733
  390    H    ILE  62           HN       ILE  62  -3.451  -8.328   2.580
  391    HA   ILE  62           HA       ILE  62  -2.925  -7.710  -0.191
  392    HB   ILE  62           HB       ILE  62  -1.819  -5.639   0.983
  393   1HG1  ILE  62          HG12      ILE  62  -2.605  -5.106   3.126
  394   2HG1  ILE  62          HG11      ILE  62  -3.813  -6.377   3.114
  395   1HG2  ILE  62          HG21      ILE  62  -3.643  -4.566   0.306
  396   2HG2  ILE  62          HG22      ILE  62  -4.687  -5.475   1.385
  397   3HG2  ILE  62          HG23      ILE  62  -4.239  -6.153  -0.173
  398   1HD1  ILE  62          HD11      ILE  62  -2.396  -7.843   4.006
  399   2HD1  ILE  62          HD12      ILE  62  -1.408  -6.438   4.399
  400   3HD1  ILE  62          HD13      ILE  62  -1.080  -7.363   2.941
  401    H    SER  63           HN       SER  63  -1.246  -9.801   0.105
  402    HA   SER  63           HA       SER  63   1.294  -9.011   1.160
  403   1HB   SER  63          HB2       SER  63   2.108 -11.004  -0.235
  404   2HB   SER  63          HB1       SER  63   0.972 -11.342   1.070
  405    HG   SER  63           HG       SER  63   0.087 -12.388  -0.597
  406    H    ALA  64           HN       ALA  64   0.901  -6.893  -0.040
  407    HA   ALA  64           HA       ALA  64   1.857  -5.423  -1.485
  408   1HB   ALA  64          HB1       ALA  64   3.366  -7.783  -2.036
  409   2HB   ALA  64          HB2       ALA  64   3.826  -6.096  -2.218
  410   3HB   ALA  64          HB3       ALA  64   3.015  -6.929  -3.538
  411    H    GLY  65           HN       GLY  65  -0.738  -6.301  -1.592
  412   1HA   GLY  65          HA2       GLY  65  -1.464  -5.518  -4.264
  413   2HA   GLY  65          HA1       GLY  65  -1.873  -7.189  -3.897
  414    H    CYS  66           HN       CYS  66  -4.112  -6.489  -4.227
  415    HA   CYS  66           HA       CYS  66  -5.196  -5.263  -1.780
  416   1HB   CYS  66          HB2       CYS  66  -5.856  -4.662  -4.635
  417   2HB   CYS  66          HB1       CYS  66  -7.093  -4.478  -3.398
  418    HA   PRO  67           HA       PRO  67  -7.550  -8.988  -1.414
  419   1HB   PRO  67          HB2       PRO  67  -9.545  -7.987   0.183
  420   2HB   PRO  67          HB1       PRO  67  -7.949  -8.460   0.771
  421   1HG   PRO  67          HG2       PRO  67  -8.984  -5.733   0.090
  422   2HG   PRO  67          HG1       PRO  67  -7.983  -6.238   1.465
  423   1HD   PRO  67          HD2       PRO  67  -6.923  -5.014  -0.671
  424   2HD   PRO  67          HD1       PRO  67  -6.054  -6.292   0.202
  425    H    ARG  68           HN       ARG  68 -10.279  -9.130  -1.104
  426    HA   ARG  68           HA       ARG  68 -11.334  -7.921  -3.574
  427   1HB   ARG  68          HB2       ARG  68 -11.968 -10.698  -2.565
  428   2HB   ARG  68          HB1       ARG  68 -12.535  -9.968  -4.061
  429   1HG   ARG  68          HG2       ARG  68  -9.970  -9.757  -4.562
  430   2HG   ARG  68          HG1       ARG  68  -9.854 -11.061  -3.378
  431   1HD   ARG  68          HD2       ARG  68 -11.966 -11.486  -5.337
  432   2HD   ARG  68          HD1       ARG  68 -10.369 -11.350  -6.071
  433    HE   ARG  68           HE       ARG  68 -10.408 -13.115  -3.818
  434   1HH1  ARG  68          HH11      ARG  68 -11.065 -12.860  -7.227
  435   2HH1  ARG  68          HH12      ARG  68 -10.839 -14.551  -7.530
  436   1HH2  ARG  68          HH21      ARG  68 -10.108 -15.343  -4.204
  437   2HH2  ARG  68          HH22      ARG  68 -10.295 -15.963  -5.810
  438    H    ASN  69           HN       ASN  69 -11.590  -6.926  -0.895
  439    HA   ASN  69           HA       ASN  69 -14.467  -7.348  -0.418
  440   1HB   ASN  69          HB2       ASN  69 -12.191  -6.764   1.451
  441   2HB   ASN  69          HB1       ASN  69 -13.837  -6.323   1.895
  442   1HD2  ASN  69          HD21      ASN  69 -13.208  -7.879   3.649
  443   2HD2  ASN  69          HD22      ASN  69 -13.581  -9.545   3.386
  444    HA   PRO  70           HA       PRO  70 -15.645  -3.187  -1.160
  445   1HB   PRO  70          HB2       PRO  70 -16.250  -2.837   1.739
  446   2HB   PRO  70          HB1       PRO  70 -17.274  -2.533   0.330
  447   1HG   PRO  70          HG2       PRO  70 -17.660  -4.688   1.842
  448   2HG   PRO  70          HG1       PRO  70 -17.817  -4.776   0.077
  449   1HD   PRO  70          HD2       PRO  70 -15.604  -5.734   1.836
  450   2HD   PRO  70          HD1       PRO  70 -16.252  -6.448   0.345
  451    H    PHE  71           HN       PHE  71 -14.512  -1.366  -1.410
  452    HA   PHE  71           HA       PHE  71 -12.647  -0.546   0.712
  453   1HB   PHE  71          HB2       PHE  71 -11.993  -0.363  -2.229
  454   2HB   PHE  71          HB1       PHE  71 -10.913  -0.095  -0.866
  455    HD1  PHE  71           HD1      PHE  71 -11.239  -2.357   0.831
  456    HD2  PHE  71           HD2      PHE  71 -11.297  -2.191  -3.421
  457    HE1  PHE  71           HE1      PHE  71 -10.524  -4.709   0.733
  458    HE2  PHE  71           HE2      PHE  71 -10.583  -4.543  -3.527
  459    HZ   PHE  71           HZ       PHE  71 -10.196  -5.805  -1.448
  460    H    HIS  72           HN       HIS  72 -11.728   1.625  -1.206
  461    HA   HIS  72           HA       HIS  72 -12.963   3.804  -0.309
  462   1HB   HIS  72          HB2       HIS  72 -11.164   4.021  -1.880
  463   2HB   HIS  72          HB1       HIS  72 -12.116   3.280  -3.160
  464    HD1  HIS  72           HD1      HIS  72 -13.153   4.882  -4.727
  465    HD2  HIS  72           HD2      HIS  72 -12.421   6.606  -1.018
  466    HE1  HIS  72           HE1      HIS  72 -13.819   7.295  -4.965
  467    HE2  HIS  72           HE2      HIS  72 -13.287   8.337  -2.734
  468    H    ALA  73           HN       ALA  73 -15.121   3.661   0.181
  469    HA   ALA  73           HA       ALA  73 -17.002   3.214  -2.028
  470   1HB   ALA  73          HB1       ALA  73 -17.345   3.116   0.959
  471   2HB   ALA  73          HB2       ALA  73 -17.475   1.790  -0.196
  472   3HB   ALA  73          HB3       ALA  73 -18.700   3.058  -0.169
  Start of MODEL   19
    1   1H    GLU   1           HT1      GLU   1   0.724   5.619  11.172
    2   2H    GLU   1           HT2      GLU   1   1.460   4.162  11.704
    3   3H    GLU   1           HT3      GLU   1   0.310   4.958  12.699
    4    HA   GLU   1           HA       GLU   1  -0.403   2.932  11.399
    5   1HB   GLU   1          HB2       GLU   1  -1.659   5.437  12.105
    6   2HB   GLU   1          HB1       GLU   1  -2.452   4.728  10.706
    7   1HG   GLU   1          HG2       GLU   1  -3.654   3.756  12.369
    8   2HG   GLU   1          HG1       GLU   1  -2.379   2.554  12.182
    9    H    ALA   2           HN       ALA   2  -0.652   2.051   9.431
   10    HA   ALA   2           HA       ALA   2   0.410   3.358   7.140
   11   1HB   ALA   2          HB1       ALA   2   0.697   1.208   6.641
   12   2HB   ALA   2          HB2       ALA   2  -1.015   1.156   6.222
   13   3HB   ALA   2          HB3       ALA   2  -0.490   0.702   7.844
   14    H    GLY   3           HN       GLY   3  -0.630   4.991   6.187
   15   1HA   GLY   3          HA2       GLY   3  -2.820   4.835   4.620
   16   2HA   GLY   3          HA1       GLY   3  -3.520   5.141   6.203
   17    H    GLU   4           HN       GLU   4  -2.068   6.533   3.449
   18    HA   GLU   4           HA       GLU   4  -1.553   8.674   2.868
   19   1HB   GLU   4          HB2       GLU   4  -3.215   9.602   5.194
   20   2HB   GLU   4          HB1       GLU   4  -2.997  10.369   3.627
   21   1HG   GLU   4          HG2       GLU   4  -4.114   8.077   2.830
   22   2HG   GLU   4          HG1       GLU   4  -4.818   8.196   4.442
   23    H    GLU   5           HN       GLU   5   0.460   7.588   4.266
   24    HA   GLU   5           HA       GLU   5   1.512   9.884   5.744
   25   1HB   GLU   5          HB2       GLU   5   1.755   7.047   6.762
   26   2HB   GLU   5          HB1       GLU   5   2.399   8.493   7.526
   27   1HG   GLU   5          HG2       GLU   5  -0.481   8.584   7.041
   28   2HG   GLU   5          HG1       GLU   5   0.029   7.305   8.141
   29    H    CYS   6           HN       CYS   6   2.315   9.781   3.370
   30    HA   CYS   6           HA       CYS   6   4.968   9.613   3.148
   31   1HB   CYS   6          HB2       CYS   6   5.235   7.392   3.800
   32   2HB   CYS   6          HB1       CYS   6   3.773   6.869   2.975
   33    H    ASP   7           HN       ASP   7   5.734   9.306   0.743
   34    HA   ASP   7           HA       ASP   7   3.479   9.574  -1.104
   35   1HB   ASP   7          HB2       ASP   7   5.641  11.660  -1.116
   36   2HB   ASP   7          HB1       ASP   7   4.080  11.694  -1.929
   37    H    CYS   8           HN       CYS   8   6.257   7.974  -0.638
   38    HA   CYS   8           HA       CYS   8   7.594   8.335  -3.128
   39   1HB   CYS   8          HB2       CYS   8   7.625   6.031  -1.184
   40   2HB   CYS   8          HB1       CYS   8   8.577   6.081  -2.652
   41    H    GLY   9           HN       GLY   9   4.648   6.867  -2.324
   42   1HA   GLY   9          HA2       GLY   9   3.313   6.224  -4.353
   43   2HA   GLY   9          HA1       GLY   9   4.694   5.226  -4.790
   44    H    SER  10           HN       SER  10   2.469   3.755  -4.700
   45    HA   SER  10           HA       SER  10   2.841   2.222  -2.288
   46   1HB   SER  10          HB2       SER  10   0.356   3.734  -2.865
   47   2HB   SER  10          HB1       SER  10   0.264   2.204  -2.002
   48    HG   SER  10           HG       SER  10   2.228   3.878  -1.086
   49    HA   PRO  11           HA       PRO  11   0.221  -0.767  -4.751
   50   1HB   PRO  11          HB2       PRO  11  -1.448   0.076  -6.698
   51   2HB   PRO  11          HB1       PRO  11  -1.892   0.073  -4.988
   52   1HG   PRO  11          HG2       PRO  11  -0.915   2.343  -6.683
   53   2HG   PRO  11          HG1       PRO  11  -2.256   2.313  -5.521
   54   1HD   PRO  11          HD2       PRO  11   0.177   3.321  -4.898
   55   2HD   PRO  11          HD1       PRO  11  -0.847   2.502  -3.701
   56    H    GLY  12           HN       GLY  12   2.144  -1.538  -5.664
   57   1HA   GLY  12          HA2       GLY  12   3.106  -2.386  -7.671
   58   2HA   GLY  12          HA1       GLY  12   2.316  -1.096  -8.575
   59    H    ASN  13           HN       ASN  13   3.045   1.005  -6.918
   60    HA   ASN  13           HA       ASN  13   5.965   1.142  -7.220
   61   1HB   ASN  13          HB2       ASN  13   3.869   3.276  -7.726
   62   2HB   ASN  13          HB1       ASN  13   5.585   3.635  -7.553
   63   1HD2  ASN  13          HD21      ASN  13   5.586   4.479  -9.666
   64   2HD2  ASN  13          HD22      ASN  13   5.606   3.438 -11.044
   65    HA   PRO  14           HA       PRO  14   4.146   1.098  -2.817
   66   1HB   PRO  14          HB2       PRO  14   6.794   0.210  -2.173
   67   2HB   PRO  14          HB1       PRO  14   5.279  -0.690  -2.082
   68   1HG   PRO  14          HG2       PRO  14   7.299  -0.614  -4.244
   69   2HG   PRO  14          HG1       PRO  14   6.184  -1.902  -3.786
   70   1HD   PRO  14          HD2       PRO  14   5.765  -0.503  -5.990
   71   2HD   PRO  14          HD1       PRO  14   4.392  -0.936  -4.942
   72    H    CYS  15           HN       CYS  15   4.972   2.130  -0.940
   73    HA   CYS  15           HA       CYS  15   5.848   4.726  -1.430
   74   1HB   CYS  15          HB2       CYS  15   5.142   3.122   0.872
   75   2HB   CYS  15          HB1       CYS  15   6.499   4.187   1.231
   76    H    CYS  16           HN       CYS  16   7.595   4.369  -2.788
   77    HA   CYS  16           HA       CYS  16   9.785   4.825  -3.099
   78   1HB   CYS  16          HB2       CYS  16   9.834   4.456  -0.222
   79   2HB   CYS  16          HB1       CYS  16  11.292   3.858  -0.995
   80    H    ASP  17           HN       ASP  17  10.992   3.737  -4.396
   81    HA   ASP  17           HA       ASP  17  11.813   1.042  -4.002
   82   1HB   ASP  17          HB2       ASP  17  10.560   0.275  -6.156
   83   2HB   ASP  17          HB1       ASP  17   9.704   0.275  -4.617
   84    H    ALA  18           HN       ALA  18  11.381   3.787  -6.155
   85    HA   ALA  18           HA       ALA  18  12.967   4.800  -7.484
   86   1HB   ALA  18          HB1       ALA  18  15.142   4.023  -7.648
   87   2HB   ALA  18          HB2       ALA  18  14.659   2.333  -7.504
   88   3HB   ALA  18          HB3       ALA  18  14.639   3.379  -6.085
   89    H    ALA  19           HN       ALA  19  12.997   1.323  -8.147
   90    HA   ALA  19           HA       ALA  19  11.335   1.553 -10.445
   91   1HB   ALA  19          HB1       ALA  19  14.004   2.198 -10.859
   92   2HB   ALA  19          HB2       ALA  19  12.795   1.832 -12.089
   93   3HB   ALA  19          HB3       ALA  19  13.835   0.551 -11.465
   94    H    THR  20           HN       THR  20  11.849  -0.025  -7.944
   95    HA   THR  20           HA       THR  20  11.045  -2.560  -8.917
   96    HB   THR  20           HB       THR  20  13.425  -2.783  -9.440
   97    HG1  THR  20           HG1      THR  20  12.087  -4.511  -8.294
   98   1HG2  THR  20          HG21      THR  20  13.775  -1.694  -6.744
   99   2HG2  THR  20          HG22      THR  20  14.832  -1.616  -8.154
  100   3HG2  THR  20          HG23      THR  20  14.811  -3.063  -7.147
  101    H    CYS  21           HN       CYS  21  10.054  -3.713  -7.283
  102    HA   CYS  21           HA       CYS  21   9.286  -2.391  -4.986
  103   1HB   CYS  21          HB2       CYS  21   9.442  -5.399  -5.245
  104   2HB   CYS  21          HB1       CYS  21   8.368  -4.482  -4.200
  105    H    LYS  22           HN       LYS  22  11.317  -1.500  -4.183
  106    HA   LYS  22           HA       LYS  22  12.379  -3.042  -2.014
  107   1HB   LYS  22          HB2       LYS  22  14.194  -2.350  -4.331
  108   2HB   LYS  22          HB1       LYS  22  14.759  -2.877  -2.753
  109   1HG   LYS  22          HG2       LYS  22  13.087  -4.475  -4.680
  110   2HG   LYS  22          HG1       LYS  22  14.797  -4.711  -4.317
  111   1HD   LYS  22          HD2       LYS  22  14.324  -5.413  -2.101
  112   2HD   LYS  22          HD1       LYS  22  12.645  -4.881  -2.218
  113   1HE   LYS  22          HE2       LYS  22  12.309  -6.587  -4.008
  114   2HE   LYS  22          HE1       LYS  22  13.939  -7.176  -3.683
  115   1HZ   LYS  22          HZ1       LYS  22  11.509  -7.626  -2.226
  116   2HZ   LYS  22          HZ2       LYS  22  12.783  -7.131  -1.230
  117   3HZ   LYS  22          HZ3       LYS  22  12.957  -8.501  -2.206
  118    H    LEU  23           HN       LEU  23  12.622  -1.628  -0.403
  119    HA   LEU  23           HA       LEU  23  13.795   0.987  -0.914
  120   1HB   LEU  23          HB2       LEU  23  12.070   2.195   0.236
  121   2HB   LEU  23          HB1       LEU  23  11.354   1.292  -1.082
  122    HG   LEU  23           HG       LEU  23  11.128   0.775   1.868
  123   1HD1  LEU  23          HD11      LEU  23   8.679   0.496   0.805
  124   2HD1  LEU  23          HD12      LEU  23   9.377   1.655  -0.322
  125   3HD1  LEU  23          HD13      LEU  23   9.321   2.024   1.401
  126   1HD2  LEU  23          HD21      LEU  23  10.735  -1.134  -0.405
  127   2HD2  LEU  23          HD22      LEU  23   9.779  -1.269   1.071
  128   3HD2  LEU  23          HD23      LEU  23  11.537  -1.396   1.143
  129    H    ARG  24           HN       ARG  24  14.630   2.017   0.978
  130    HA   ARG  24           HA       ARG  24  15.681   0.171   2.883
  131   1HB   ARG  24          HB2       ARG  24  15.784   3.175   3.096
  132   2HB   ARG  24          HB1       ARG  24  16.915   2.005   3.761
  133   1HG   ARG  24          HG2       ARG  24  17.644   1.420   1.505
  134   2HG   ARG  24          HG1       ARG  24  16.506   2.591   0.836
  135   1HD   ARG  24          HD2       ARG  24  18.748   3.267   2.735
  136   2HD   ARG  24          HD1       ARG  24  18.836   3.435   0.982
  137    HE   ARG  24           HE       ARG  24  16.602   4.822   2.101
  138   1HH1  ARG  24          HH11      ARG  24  20.027   5.010   1.505
  139   2HH1  ARG  24          HH12      ARG  24  20.061   6.741   1.487
  140   1HH2  ARG  24          HH21      ARG  24  16.634   7.103   2.079
  141   2HH2  ARG  24          HH22      ARG  24  18.132   7.932   1.814
  142    H    GLN  25           HN       GLN  25  12.786   1.836   2.668
  143    HA   GLN  25           HA       GLN  25  12.246   1.371   5.519
  144   1HB   GLN  25          HB2       GLN  25  11.066   3.697   4.011
  145   2HB   GLN  25          HB1       GLN  25  11.067   3.414   5.746
  146   1HG   GLN  25          HG2       GLN  25  12.664   5.050   5.518
  147   2HG   GLN  25          HG1       GLN  25  13.639   3.581   5.525
  148   1HE2  GLN  25          HE21      GLN  25  14.704   5.843   4.514
  149   2HE2  GLN  25          HE22      GLN  25  14.840   5.735   2.795
  150    H    GLY  26           HN       GLY  26  11.174  -0.542   5.091
  151   1HA   GLY  26          HA2       GLY  26   9.530  -1.400   3.204
  152   2HA   GLY  26          HA1       GLY  26   9.125  -1.645   4.895
  153    H    ALA  27           HN       ALA  27   7.910  -0.635   2.059
  154    HA   ALA  27           HA       ALA  27   6.289   1.543   3.097
  155   1HB   ALA  27          HB1       ALA  27   6.890   0.442   0.396
  156   2HB   ALA  27          HB2       ALA  27   6.922   2.108   0.968
  157   3HB   ALA  27          HB3       ALA  27   5.382   1.319   0.632
  158    H    GLN  28           HN       GLN  28   5.888  -1.065   4.244
  159    HA   GLN  28           HA       GLN  28   3.878  -2.630   3.225
  160   1HB   GLN  28          HB2       GLN  28   3.773  -1.942   6.125
  161   2HB   GLN  28          HB1       GLN  28   3.571  -3.501   5.337
  162   1HG   GLN  28          HG2       GLN  28   5.624  -3.934   6.000
  163   2HG   GLN  28          HG1       GLN  28   6.146  -2.841   4.720
  164   1HE2  GLN  28          HE21      GLN  28   5.173  -0.457   5.949
  165   2HE2  GLN  28          HE22      GLN  28   6.201  -0.112   7.294
  166    H    CYS  29           HN       CYS  29   1.968  -2.020   2.422
  167    HA   CYS  29           HA       CYS  29   0.050  -0.773   2.094
  168   1HB   CYS  29          HB2       CYS  29   0.026  -1.428   5.044
  169   2HB   CYS  29          HB1       CYS  29  -1.333  -0.644   4.245
  170    H    ALA  30           HN       ALA  30   2.111   0.846   2.023
  171    HA   ALA  30           HA       ALA  30   2.208   2.874   3.979
  172   1HB   ALA  30          HB1       ALA  30   3.758   3.889   2.652
  173   2HB   ALA  30          HB2       ALA  30   2.867   3.552   1.168
  174   3HB   ALA  30          HB3       ALA  30   3.794   2.272   1.950
  175    H    GLU  31           HN       GLU  31   1.970   5.119   1.889
  176    HA   GLU  31           HA       GLU  31  -0.460   6.195   2.548
  177   1HB   GLU  31          HB2       GLU  31   1.185   7.429   1.211
  178   2HB   GLU  31          HB1       GLU  31   0.916   6.348  -0.149
  179   1HG   GLU  31          HG2       GLU  31  -0.930   7.426  -0.804
  180   2HG   GLU  31          HG1       GLU  31  -1.506   7.652   0.847
  181    H    GLY  32           HN       GLY  32   0.325   3.676   0.361
  182   1HA   GLY  32          HA2       GLY  32  -2.469   2.912   0.157
  183   2HA   GLY  32          HA1       GLY  32  -1.569   3.127  -1.344
  184    H    LEU  33           HN       LEU  33  -1.457   1.032  -2.024
  185    HA   LEU  33           HA       LEU  33  -0.728  -1.068  -0.208
  186   1HB   LEU  33          HB2       LEU  33  -2.192  -1.128  -2.382
  187   2HB   LEU  33          HB1       LEU  33  -0.653  -1.350  -3.187
  188    HG   LEU  33           HG       LEU  33  -2.219  -3.367  -2.317
  189   1HD1  LEU  33          HD11      LEU  33   0.418  -3.004  -3.307
  190   2HD1  LEU  33          HD12      LEU  33  -0.668  -4.380  -3.507
  191   3HD1  LEU  33          HD13      LEU  33   0.415  -4.305  -2.122
  192   1HD2  LEU  33          HD21      LEU  33  -1.979  -2.906   0.030
  193   2HD2  LEU  33          HD22      LEU  33  -0.226  -2.834  -0.112
  194   3HD2  LEU  33          HD23      LEU  33  -1.064  -4.365  -0.343
  195    H    CYS  34           HN       CYS  34   1.071  -2.660  -1.348
  196    HA   CYS  34           HA       CYS  34   3.416  -1.247  -2.266
  197   1HB   CYS  34          HB2       CYS  34   3.704  -0.952   0.087
  198   2HB   CYS  34          HB1       CYS  34   3.283  -2.622   0.413
  199    H    CYS  35           HN       CYS  35   5.209  -2.840  -2.750
  200    HA   CYS  35           HA       CYS  35   4.178  -5.536  -3.184
  201   1HB   CYS  35          HB2       CYS  35   5.121  -5.611  -5.456
  202   2HB   CYS  35          HB1       CYS  35   3.890  -4.364  -5.304
  203    H    ASP  36           HN       ASP  36   6.724  -3.597  -2.160
  204    HA   ASP  36           HA       ASP  36   8.848  -5.477  -2.689
  205   1HB   ASP  36          HB2       ASP  36   9.289  -3.446  -0.598
  206   2HB   ASP  36          HB1       ASP  36  10.271  -3.850  -2.000
  207    H    GLN  37           HN       GLN  37  10.320  -5.937  -0.678
  208    HA   GLN  37           HA       GLN  37   9.074  -7.843   0.892
  209   1HB   GLN  37          HB2       GLN  37  11.637  -6.305   1.194
  210   2HB   GLN  37          HB1       GLN  37  11.116  -7.416   2.453
  211   1HG   GLN  37          HG2       GLN  37  11.252  -9.273   1.012
  212   2HG   GLN  37          HG1       GLN  37  11.386  -8.250  -0.417
  213   1HE2  GLN  37          HE21      GLN  37  13.036  -9.360   2.469
  214   2HE2  GLN  37          HE22      GLN  37  14.638  -9.038   1.908
  215    H    CYS  38           HN       CYS  38   9.074  -4.440   1.104
  216    HA   CYS  38           HA       CYS  38   8.897  -3.410   3.445
  217   1HB   CYS  38          HB2       CYS  38   6.892  -2.152   2.899
  218   2HB   CYS  38          HB1       CYS  38   7.841  -2.374   1.434
  219    H    ARG  39           HN       ARG  39   6.371  -5.681   2.420
  220    HA   ARG  39           HA       ARG  39   5.410  -7.348   3.746
  221   1HB   ARG  39          HB2       ARG  39   7.172  -6.590   5.575
  222   2HB   ARG  39          HB1       ARG  39   5.778  -5.767   6.258
  223   1HG   ARG  39          HG2       ARG  39   5.074  -7.651   7.172
  224   2HG   ARG  39          HG1       ARG  39   5.032  -8.435   5.592
  225   1HD   ARG  39          HD2       ARG  39   7.477  -8.178   7.340
  226   2HD   ARG  39          HD1       ARG  39   6.467  -9.615   7.218
  227    HE   ARG  39           HE       ARG  39   7.284  -9.992   5.055
  228   1HH1  ARG  39          HH11      ARG  39   8.702  -7.135   6.489
  229   2HH1  ARG  39          HH12      ARG  39   9.997  -7.058   5.344
  230   1HH2  ARG  39          HH21      ARG  39   8.988  -9.884   3.556
  231   2HH2  ARG  39          HH22      ARG  39  10.160  -8.615   3.681
  232    H    PHE  40           HN       PHE  40   3.439  -7.112   5.523
  233    HA   PHE  40           HA       PHE  40   2.002  -4.637   5.105
  234   1HB   PHE  40          HB2       PHE  40   0.845  -7.212   4.031
  235   2HB   PHE  40          HB1       PHE  40   0.121  -5.607   3.943
  236    HD1  PHE  40           HD1      PHE  40   0.668  -4.122   2.190
  237    HD2  PHE  40           HD2      PHE  40   2.978  -7.648   2.775
  238    HE1  PHE  40           HE1      PHE  40   1.834  -3.711   0.078
  239    HE2  PHE  40           HE2      PHE  40   4.151  -7.239   0.667
  240    HZ   PHE  40           HZ       PHE  40   3.578  -5.270  -0.698
  241    H    MET  41           HN       MET  41  -0.262  -4.794   6.076
  242    HA   MET  41           HA       MET  41   0.052  -5.850   8.721
  243   1HB   MET  41          HB2       MET  41  -1.231  -3.634   7.587
  244   2HB   MET  41          HB1       MET  41  -2.506  -4.634   8.271
  245   1HG   MET  41          HG2       MET  41  -0.060  -3.835   9.817
  246   2HG   MET  41          HG1       MET  41  -1.531  -2.865   9.779
  247   1HE   MET  41          HE1       MET  41  -0.347  -4.678  12.862
  248   2HE   MET  41          HE2       MET  41  -1.918  -3.955  13.206
  249   3HE   MET  41          HE3       MET  41  -0.761  -3.103  12.184
  250    H    LYS  42           HN       LYS  42  -2.925  -5.777   6.774
  251    HA   LYS  42           HA       LYS  42  -4.235  -7.591   6.081
  252   1HB   LYS  42          HB2       LYS  42  -2.905  -9.265   8.211
  253   2HB   LYS  42          HB1       LYS  42  -3.922  -9.818   6.890
  254   1HG   LYS  42          HG2       LYS  42  -1.530  -8.339   6.059
  255   2HG   LYS  42          HG1       LYS  42  -1.220  -9.875   6.873
  256   1HD   LYS  42          HD2       LYS  42  -3.371 -10.124   4.972
  257   2HD   LYS  42          HD1       LYS  42  -1.919  -9.495   4.196
  258   1HE   LYS  42          HE2       LYS  42  -0.969 -11.515   5.823
  259   2HE   LYS  42          HE1       LYS  42  -2.489 -12.160   5.205
  260   1HZ   LYS  42          HZ1       LYS  42  -1.665 -12.341   3.146
  261   2HZ   LYS  42          HZ2       LYS  42  -0.152 -12.271   3.899
  262   3HZ   LYS  42          HZ3       LYS  42  -0.824 -10.875   3.223
  263    H    GLU  43           HN       GLU  43  -4.342  -5.576   8.313
  264    HA   GLU  43           HA       GLU  43  -6.745  -6.660   9.574
  265   1HB   GLU  43          HB2       GLU  43  -5.221  -7.082  11.309
  266   2HB   GLU  43          HB1       GLU  43  -4.335  -5.592  11.016
  267   1HG   GLU  43          HG2       GLU  43  -5.567  -4.500  12.490
  268   2HG   GLU  43          HG1       GLU  43  -7.056  -4.995  11.686
  269    H    GLY  44           HN       GLY  44  -8.008  -5.297   8.345
  270   1HA   GLY  44          HA2       GLY  44  -8.808  -3.275   7.503
  271   2HA   GLY  44          HA1       GLY  44  -8.951  -2.993   9.225
  272    H    THR  45           HN       THR  45  -6.280  -2.901   6.781
  273    HA   THR  45           HA       THR  45  -5.552  -0.343   8.057
  274    HB   THR  45           HB       THR  45  -3.507  -1.182   8.216
  275    HG1  THR  45           HG1      THR  45  -2.336  -1.526   6.147
  276   1HG2  THR  45          HG21      THR  45  -3.877  -3.401   8.247
  277   2HG2  THR  45          HG22      THR  45  -2.861  -3.287   6.810
  278   3HG2  THR  45          HG23      THR  45  -4.603  -3.423   6.647
  279    H    ILE  46           HN       ILE  46  -3.938  -0.485   5.118
  280    HA   ILE  46           HA       ILE  46  -6.168   0.591   3.612
  281    HB   ILE  46           HB       ILE  46  -4.328   2.301   4.949
  282   1HG1  ILE  46          HG12      ILE  46  -5.990   3.672   3.049
  283   2HG1  ILE  46          HG11      ILE  46  -6.891   2.347   3.781
  284   1HG2  ILE  46          HG21      ILE  46  -2.755   2.362   3.247
  285   2HG2  ILE  46          HG22      ILE  46  -3.780   3.755   2.906
  286   3HG2  ILE  46          HG23      ILE  46  -3.976   2.270   1.979
  287   1HD1  ILE  46          HD11      ILE  46  -6.284   4.900   4.857
  288   2HD1  ILE  46          HD12      ILE  46  -5.505   3.670   5.854
  289   3HD1  ILE  46          HD13      ILE  46  -7.243   3.598   5.562
  290    H    CYS  47           HN       CYS  47  -6.093  -0.669   1.872
  291    HA   CYS  47           HA       CYS  47  -3.509  -1.331   0.672
  292   1HB   CYS  47          HB2       CYS  47  -5.166  -3.142   1.082
  293   2HB   CYS  47          HB1       CYS  47  -6.239  -2.365  -0.082
  294    H    ARG  48           HN       ARG  48  -5.279   1.233   0.550
  295    HA   ARG  48           HA       ARG  48  -6.404   2.222  -1.462
  296   1HB   ARG  48          HB2       ARG  48  -3.588   3.235  -1.195
  297   2HB   ARG  48          HB1       ARG  48  -5.015   4.141  -1.649
  298   1HG   ARG  48          HG2       ARG  48  -5.473   3.015   0.912
  299   2HG   ARG  48          HG1       ARG  48  -3.894   3.798   0.916
  300   1HD   ARG  48          HD2       ARG  48  -6.322   5.161  -0.199
  301   2HD   ARG  48          HD1       ARG  48  -5.943   5.215   1.523
  302    HE   ARG  48           HE       ARG  48  -3.643   6.040   0.475
  303   1HH1  ARG  48          HH11      ARG  48  -6.921   6.941  -0.278
  304   2HH1  ARG  48          HH12      ARG  48  -6.505   8.550  -0.764
  305   1HH2  ARG  48          HH21      ARG  48  -3.083   8.157  -0.162
  306   2HH2  ARG  48          HH22      ARG  48  -4.322   9.242  -0.699
  307    H    ARG  49           HN       ARG  49  -6.764   1.399  -3.408
  308    HA   ARG  49           HA       ARG  49  -4.694   0.188  -4.976
  309   1HB   ARG  49          HB2       ARG  49  -6.594   0.227  -6.749
  310   2HB   ARG  49          HB1       ARG  49  -6.758  -0.810  -5.339
  311   1HG   ARG  49          HG2       ARG  49  -8.432   0.442  -4.435
  312   2HG   ARG  49          HG1       ARG  49  -7.867   1.938  -5.181
  313   1HD   ARG  49          HD2       ARG  49  -9.232   1.667  -6.917
  314   2HD   ARG  49          HD1       ARG  49  -8.646   0.027  -7.190
  315    HE   ARG  49           HE       ARG  49 -11.107   0.755  -6.014
  316   1HH1  ARG  49          HH11      ARG  49  -8.515  -1.550  -5.705
  317   2HH1  ARG  49          HH12      ARG  49  -9.516  -2.778  -5.004
  318   1HH2  ARG  49          HH21      ARG  49 -12.435  -0.853  -5.091
  319   2HH2  ARG  49          HH22      ARG  49 -11.745  -2.381  -4.655
  320    H    ALA  50           HN       ALA  50  -5.549   3.357  -4.428
  321    HA   ALA  50           HA       ALA  50  -3.886   4.282  -6.589
  322   1HB   ALA  50          HB1       ALA  50  -6.234   5.867  -6.837
  323   2HB   ALA  50          HB2       ALA  50  -6.684   4.170  -7.005
  324   3HB   ALA  50          HB3       ALA  50  -5.446   4.863  -8.053
  325    H    ARG  51           HN       ARG  51  -4.425   6.934  -6.604
  326    HA   ARG  51           HA       ARG  51  -4.539   7.848  -3.834
  327   1HB   ARG  51          HB2       ARG  51  -2.449   9.332  -4.584
  328   2HB   ARG  51          HB1       ARG  51  -2.262   7.769  -3.801
  329   1HG   ARG  51          HG2       ARG  51  -1.468   6.772  -5.667
  330   2HG   ARG  51          HG1       ARG  51  -2.462   7.752  -6.747
  331   1HD   ARG  51          HD2       ARG  51  -0.826   9.649  -5.762
  332   2HD   ARG  51          HD1       ARG  51   0.243   8.249  -5.676
  333    HE   ARG  51           HE       ARG  51  -1.007   8.381  -8.210
  334   1HH1  ARG  51          HH11      ARG  51   1.469   9.906  -6.294
  335   2HH1  ARG  51          HH12      ARG  51   2.398  10.415  -7.664
  336   1HH2  ARG  51          HH21      ARG  51   0.209   9.046 -10.022
  337   2HH2  ARG  51          HH22      ARG  51   1.682   9.926  -9.784
  338    H    GLY  52           HN       GLY  52  -3.171   9.659  -6.506
  339   1HA   GLY  52          HA2       GLY  52  -3.812  11.761  -7.259
  340   2HA   GLY  52          HA1       GLY  52  -5.214  10.839  -7.779
  341    H    ASP  53           HN       ASP  53  -7.053  11.790  -7.241
  342    HA   ASP  53           HA       ASP  53  -7.143  13.374  -4.762
  343   1HB   ASP  53          HB2       ASP  53  -9.027  14.579  -5.773
  344   2HB   ASP  53          HB1       ASP  53  -7.598  14.661  -6.799
  345    H    ASP  54           HN       ASP  54  -7.850  10.382  -5.706
  346    HA   ASP  54           HA       ASP  54  -9.803  10.002  -3.645
  347   1HB   ASP  54          HB2       ASP  54 -10.689   9.193  -6.408
  348   2HB   ASP  54          HB1       ASP  54 -11.642   9.261  -4.929
  349    H    LEU  55           HN       LEU  55 -10.788   7.506  -4.777
  350    HA   LEU  55           HA       LEU  55 -10.251   5.298  -4.877
  351   1HB   LEU  55          HB2       LEU  55  -7.741   6.535  -5.949
  352   2HB   LEU  55          HB1       LEU  55  -7.819   4.808  -5.658
  353    HG   LEU  55           HG       LEU  55  -8.341   5.022  -7.923
  354   1HD1  LEU  55          HD11      LEU  55  -9.997   3.702  -6.535
  355   2HD1  LEU  55          HD12      LEU  55 -10.546   4.220  -8.129
  356   3HD1  LEU  55          HD13      LEU  55 -11.079   5.086  -6.688
  357   1HD2  LEU  55          HD21      LEU  55  -8.583   7.373  -8.138
  358   2HD2  LEU  55          HD22      LEU  55 -10.025   7.384  -7.122
  359   3HD2  LEU  55          HD23      LEU  55 -10.081   6.650  -8.725
  360    H    ASP  56           HN       ASP  56  -9.786   3.868  -3.318
  361    HA   ASP  56           HA       ASP  56  -7.497   4.105  -1.607
  362   1HB   ASP  56          HB2       ASP  56 -10.141   4.327  -0.196
  363   2HB   ASP  56          HB1       ASP  56  -8.526   4.633   0.435
  364    H    ASP  57           HN       ASP  57  -8.439   2.621   0.546
  365    HA   ASP  57           HA       ASP  57  -9.990   0.457   0.289
  366   1HB   ASP  57          HB2       ASP  57  -7.776   0.262  -1.615
  367   2HB   ASP  57          HB1       ASP  57  -7.913  -1.146  -0.566
  368    H    TYR  58           HN       TYR  58  -9.608  -1.178   1.818
  369    HA   TYR  58           HA       TYR  58  -7.743  -0.417   3.900
  370   1HB   TYR  58          HB2       TYR  58 -10.033  -2.349   3.735
  371   2HB   TYR  58          HB1       TYR  58  -8.865  -2.477   5.048
  372    HD1  TYR  58           HD1      TYR  58 -10.245   0.562   3.406
  373    HD2  TYR  58           HD2      TYR  58 -10.022  -1.779   6.951
  374    HE1  TYR  58           HE1      TYR  58 -11.438   2.326   4.635
  375    HE2  TYR  58           HE2      TYR  58 -11.217  -0.023   8.191
  376    HH   TYR  58           HH       TYR  58 -12.267   2.971   6.588
  377    H    CYS  59           HN       CYS  59  -6.611  -2.347   5.056
  378    HA   CYS  59           HA       CYS  59  -5.346  -3.943   2.949
  379   1HB   CYS  59          HB2       CYS  59  -4.244  -2.299   5.080
  380   2HB   CYS  59          HB1       CYS  59  -3.493  -3.885   4.950
  381    H    ASN  60           HN       ASN  60  -6.497  -5.800   3.107
  382    HA   ASN  60           HA       ASN  60  -6.042  -7.426   5.514
  383   1HB   ASN  60          HB2       ASN  60  -8.561  -7.687   3.888
  384   2HB   ASN  60          HB1       ASN  60  -8.241  -8.254   5.528
  385   1HD2  ASN  60          HD21      ASN  60  -6.969  -5.875   6.396
  386   2HD2  ASN  60          HD22      ASN  60  -8.179  -4.660   6.560
  387    H    GLY  61           HN       GLY  61  -5.269  -9.473   5.078
  388   1HA   GLY  61          HA2       GLY  61  -4.308 -11.147   3.794
  389   2HA   GLY  61          HA1       GLY  61  -5.717 -10.962   2.753
  390    H    ILE  62           HN       ILE  62  -3.833  -8.199   3.319
  391    HA   ILE  62           HA       ILE  62  -3.076  -8.067   0.540
  392    HB   ILE  62           HB       ILE  62  -2.554  -5.768   0.911
  393   1HG1  ILE  62          HG12      ILE  62  -1.586  -5.279   2.901
  394   2HG1  ILE  62          HG11      ILE  62  -3.240  -4.988   3.396
  395   1HG2  ILE  62          HG21      ILE  62  -5.065  -6.544   2.351
  396   2HG2  ILE  62          HG22      ILE  62  -4.885  -6.352   0.613
  397   3HG2  ILE  62          HG23      ILE  62  -4.721  -4.958   1.674
  398   1HD1  ILE  62          HD11      ILE  62  -1.651  -6.396   4.873
  399   2HD1  ILE  62          HD12      ILE  62  -2.084  -7.697   3.771
  400   3HD1  ILE  62          HD13      ILE  62  -3.336  -6.862   4.677
  401    H    SER  63           HN       SER  63  -1.365  -9.565   0.422
  402    HA   SER  63           HA       SER  63   1.071  -8.821   1.882
  403   1HB   SER  63          HB2       SER  63   1.945 -10.929   1.344
  404   2HB   SER  63          HB1       SER  63   0.244 -11.249   1.677
  405    HG   SER  63           HG       SER  63   1.647 -11.603  -0.618
  406    H    ALA  64           HN       ALA  64   0.032  -7.090   0.061
  407    HA   ALA  64           HA       ALA  64   1.323  -5.630  -1.278
  408   1HB   ALA  64          HB1       ALA  64   2.243  -8.129  -2.674
  409   2HB   ALA  64          HB2       ALA  64   3.210  -7.090  -1.626
  410   3HB   ALA  64          HB3       ALA  64   2.621  -6.483  -3.173
  411    H    GLY  65           HN       GLY  65  -1.312  -6.928  -1.175
  412   1HA   GLY  65          HA2       GLY  65  -2.306  -5.963  -3.732
  413   2HA   GLY  65          HA1       GLY  65  -2.633  -7.654  -3.364
  414    H    CYS  66           HN       CYS  66  -4.902  -6.466  -3.635
  415    HA   CYS  66           HA       CYS  66  -5.703  -5.543  -0.952
  416   1HB   CYS  66          HB2       CYS  66  -6.988  -4.921  -3.616
  417   2HB   CYS  66          HB1       CYS  66  -7.583  -4.381  -2.049
  418    HA   PRO  67           HA       PRO  67  -8.174  -9.085  -0.183
  419   1HB   PRO  67          HB2       PRO  67 -10.416  -7.717   0.813
  420   2HB   PRO  67          HB1       PRO  67  -9.038  -8.289   1.755
  421   1HG   PRO  67          HG2       PRO  67  -9.587  -5.570   0.658
  422   2HG   PRO  67          HG1       PRO  67  -8.818  -6.032   2.189
  423   1HD   PRO  67          HD2       PRO  67  -7.356  -5.146   0.145
  424   2HD   PRO  67          HD1       PRO  67  -6.775  -6.480   1.166
  425    H    ARG  68           HN       ARG  68 -10.885  -9.339  -0.271
  426    HA   ARG  68           HA       ARG  68 -11.522  -8.754  -3.089
  427   1HB   ARG  68          HB2       ARG  68 -12.473 -11.111  -1.453
  428   2HB   ARG  68          HB1       ARG  68 -12.781 -10.829  -3.161
  429   1HG   ARG  68          HG2       ARG  68 -10.066 -10.762  -3.092
  430   2HG   ARG  68          HG1       ARG  68 -10.424 -11.939  -1.826
  431   1HD   ARG  68          HD2       ARG  68 -11.864 -13.157  -3.432
  432   2HD   ARG  68          HD1       ARG  68 -11.376 -12.020  -4.687
  433    HE   ARG  68           HE       ARG  68  -9.849 -14.220  -3.653
  434   1HH1  ARG  68          HH11      ARG  68  -9.678 -11.107  -5.203
  435   2HH1  ARG  68          HH12      ARG  68  -8.131 -11.405  -5.923
  436   1HH2  ARG  68          HH21      ARG  68  -7.811 -14.624  -4.596
  437   2HH2  ARG  68          HH22      ARG  68  -7.070 -13.406  -5.579
  438    H    ASN  69           HN       ASN  69 -12.132  -7.289  -0.507
  439    HA   ASN  69           HA       ASN  69 -15.063  -7.226  -0.816
  440   1HB   ASN  69          HB2       ASN  69 -13.412  -6.699   1.663
  441   2HB   ASN  69          HB1       ASN  69 -15.146  -6.417   1.544
  442   1HD2  ASN  69          HD21      ASN  69 -12.699  -8.935   1.135
  443   2HD2  ASN  69          HD22      ASN  69 -13.695 -10.237   1.681
  444    HA   PRO  70           HA       PRO  70 -14.764  -2.962  -1.867
  445   1HB   PRO  70          HB2       PRO  70 -17.021  -1.936  -0.789
  446   2HB   PRO  70          HB1       PRO  70 -17.045  -3.025  -2.181
  447   1HG   PRO  70          HG2       PRO  70 -17.551  -3.631   0.706
  448   2HG   PRO  70          HG1       PRO  70 -18.430  -4.197  -0.726
  449   1HD   PRO  70          HD2       PRO  70 -16.581  -5.711   0.570
  450   2HD   PRO  70          HD1       PRO  70 -16.892  -5.847  -1.172
  451    H    PHE  71           HN       PHE  71 -14.810  -0.712  -0.959
  452    HA   PHE  71           HA       PHE  71 -14.506  -0.384   1.877
  453   1HB   PHE  71          HB2       PHE  71 -12.068   0.052   0.141
  454   2HB   PHE  71          HB1       PHE  71 -12.182   0.314   1.878
  455    HD1  PHE  71           HD1      PHE  71 -11.378  -1.997  -0.696
  456    HD2  PHE  71           HD2      PHE  71 -12.705  -1.726   3.338
  457    HE1  PHE  71           HE1      PHE  71 -10.654  -4.316  -0.306
  458    HE2  PHE  71           HE2      PHE  71 -11.983  -4.044   3.736
  459    HZ   PHE  71           HZ       PHE  71 -10.956  -5.342   1.913
  460    H    HIS  72           HN       HIS  72 -13.122   1.272  -0.959
  461    HA   HIS  72           HA       HIS  72 -14.554   3.700  -0.128
  462   1HB   HIS  72          HB2       HIS  72 -12.067   3.819  -0.274
  463   2HB   HIS  72          HB1       HIS  72 -12.185   3.464  -1.994
  464    HD1  HIS  72           HD1      HIS  72 -12.431   5.425  -3.505
  465    HD2  HIS  72           HD2      HIS  72 -13.382   6.352   0.432
  466    HE1  HIS  72           HE1      HIS  72 -12.813   7.910  -3.473
  467    HE2  HIS  72           HE2      HIS  72 -13.314   8.460  -1.066
  468    H    ALA  73           HN       ALA  73 -15.303   1.276  -1.950
  469    HA   ALA  73           HA       ALA  73 -15.880   2.630  -4.454
  470   1HB   ALA  73          HB1       ALA  73 -15.149   0.238  -4.347
  471   2HB   ALA  73          HB2       ALA  73 -16.634   0.516  -5.257
  472   3HB   ALA  73          HB3       ALA  73 -16.711  -0.143  -3.623
  Start of MODEL   20
    1   1H    GLU   1           HT1      GLU   1   4.040   0.589   7.019
    2   2H    GLU   1           HT2      GLU   1   4.441   2.009   7.895
    3   3H    GLU   1           HT3      GLU   1   3.949   2.120   6.254
    4    HA   GLU   1           HA       GLU   1   1.787   1.547   6.734
    5   1HB   GLU   1          HB2       GLU   1   1.369   1.055   9.314
    6   2HB   GLU   1          HB1       GLU   1   1.807  -0.222   8.188
    7   1HG   GLU   1          HG2       GLU   1   3.088  -0.414  10.224
    8   2HG   GLU   1          HG1       GLU   1   4.146  -0.019   8.871
    9    H    ALA   2           HN       ALA   2   0.928   3.514   6.581
   10    HA   ALA   2           HA       ALA   2   1.184   5.335   8.864
   11   1HB   ALA   2          HB1       ALA   2   1.821   5.990   6.003
   12   2HB   ALA   2          HB2       ALA   2   2.811   6.244   7.440
   13   3HB   ALA   2          HB3       ALA   2   1.376   7.234   7.172
   14    H    GLY   3           HN       GLY   3  -0.406   4.805   5.720
   15   1HA   GLY   3          HA2       GLY   3  -2.674   4.783   5.240
   16   2HA   GLY   3          HA1       GLY   3  -3.002   5.118   6.934
   17    H    GLU   4           HN       GLU   4  -2.705   6.438   3.776
   18    HA   GLU   4           HA       GLU   4  -3.589   8.435   3.024
   19   1HB   GLU   4          HB2       GLU   4  -3.475   9.577   5.801
   20   2HB   GLU   4          HB1       GLU   4  -4.511  10.047   4.461
   21   1HG   GLU   4          HG2       GLU   4  -5.136   7.380   4.953
   22   2HG   GLU   4          HG1       GLU   4  -4.962   8.116   6.546
   23    H    GLU   5           HN       GLU   5  -1.075   8.525   5.510
   24    HA   GLU   5           HA       GLU   5   0.160  10.907   4.565
   25   1HB   GLU   5          HB2       GLU   5   1.603   8.742   6.074
   26   2HB   GLU   5          HB1       GLU   5   1.862  10.480   6.133
   27   1HG   GLU   5          HG2       GLU   5  -0.820   9.755   6.948
   28   2HG   GLU   5          HG1       GLU   5   0.413   8.962   7.927
   29    H    CYS   6           HN       CYS   6   2.909   9.850   4.563
   30    HA   CYS   6           HA       CYS   6   4.481   9.076   3.105
   31   1HB   CYS   6          HB2       CYS   6   3.360   6.926   3.251
   32   2HB   CYS   6          HB1       CYS   6   2.171   7.431   2.058
   33    H    ASP   7           HN       ASP   7   5.173   9.247   0.834
   34    HA   ASP   7           HA       ASP   7   3.400  10.880  -0.835
   35   1HB   ASP   7          HB2       ASP   7   6.115  11.651   0.178
   36   2HB   ASP   7          HB1       ASP   7   5.527  12.281  -1.358
   37    H    CYS   8           HN       CYS   8   6.060   8.631  -0.606
   38    HA   CYS   8           HA       CYS   8   6.879   8.725  -3.317
   39   1HB   CYS   8          HB2       CYS   8   7.135   6.599  -1.214
   40   2HB   CYS   8          HB1       CYS   8   7.799   6.446  -2.829
   41    H    GLY   9           HN       GLY   9   3.907   7.828  -2.231
   42   1HA   GLY   9          HA2       GLY   9   2.249   6.930  -3.677
   43   2HA   GLY   9          HA1       GLY   9   3.517   6.052  -4.527
   44    H    SER  10           HN       SER  10   2.181   4.117  -4.263
   45    HA   SER  10           HA       SER  10   2.990   2.708  -1.960
   46   1HB   SER  10          HB2       SER  10   0.201   3.733  -2.050
   47   2HB   SER  10          HB1       SER  10   0.532   2.179  -1.288
   48    HG   SER  10           HG       SER  10   2.230   3.426  -0.113
   49    HA   PRO  11           HA       PRO  11   0.453  -0.510  -4.323
   50   1HB   PRO  11          HB2       PRO  11  -1.371   0.311  -6.153
   51   2HB   PRO  11          HB1       PRO  11  -1.747   0.097  -4.440
   52   1HG   PRO  11          HG2       PRO  11  -1.105   2.613  -5.934
   53   2HG   PRO  11          HG1       PRO  11  -2.374   2.321  -4.729
   54   1HD   PRO  11          HD2       PRO  11  -0.049   3.543  -4.099
   55   2HD   PRO  11          HD1       PRO  11  -0.899   2.486  -2.953
   56    H    GLY  12           HN       GLY  12   2.356  -0.999  -5.332
   57   1HA   GLY  12          HA2       GLY  12   3.351  -1.579  -7.423
   58   2HA   GLY  12          HA1       GLY  12   2.529  -0.206  -8.162
   59    H    ASN  13           HN       ASN  13   3.225   1.476  -5.863
   60    HA   ASN  13           HA       ASN  13   6.109   1.845  -6.291
   61   1HB   ASN  13          HB2       ASN  13   3.993   4.014  -6.186
   62   2HB   ASN  13          HB1       ASN  13   5.730   4.300  -6.229
   63   1HD2  ASN  13          HD21      ASN  13   2.937   3.832  -8.043
   64   2HD2  ASN  13          HD22      ASN  13   3.669   3.688  -9.601
   65    HA   PRO  14           HA       PRO  14   4.457   1.050  -1.833
   66   1HB   PRO  14          HB2       PRO  14   7.108  -0.053  -1.547
   67   2HB   PRO  14          HB1       PRO  14   5.557  -0.888  -1.456
   68   1HG   PRO  14          HG2       PRO  14   7.410  -0.597  -3.747
   69   2HG   PRO  14          HG1       PRO  14   6.226  -1.871  -3.417
   70   1HD   PRO  14          HD2       PRO  14   5.787  -0.086  -5.339
   71   2HD   PRO  14          HD1       PRO  14   4.453  -0.611  -4.282
   72    H    CYS  15           HN       CYS  15   4.505   3.012  -0.935
   73    HA   CYS  15           HA       CYS  15   5.556   5.191  -0.673
   74   1HB   CYS  15          HB2       CYS  15   4.821   3.736   1.376
   75   2HB   CYS  15          HB1       CYS  15   6.546   3.654   1.695
   76    H    CYS  16           HN       CYS  16   7.225   4.660  -2.464
   77    HA   CYS  16           HA       CYS  16   9.342   5.615  -2.842
   78   1HB   CYS  16          HB2       CYS  16  10.186   4.318  -0.257
   79   2HB   CYS  16          HB1       CYS  16  11.230   5.247  -1.317
   80    H    ASP  17           HN       ASP  17  10.640   4.747  -4.288
   81    HA   ASP  17           HA       ASP  17  11.481   1.998  -4.162
   82   1HB   ASP  17          HB2       ASP  17  10.455   1.442  -6.405
   83   2HB   ASP  17          HB1       ASP  17   9.323   1.553  -5.060
   84    H    ALA  18           HN       ALA  18  11.356   5.061  -5.889
   85    HA   ALA  18           HA       ALA  18  13.085   6.198  -6.888
   86   1HB   ALA  18          HB1       ALA  18  15.168   5.552  -6.440
   87   2HB   ALA  18          HB2       ALA  18  14.959   4.026  -7.299
   88   3HB   ALA  18          HB3       ALA  18  14.462   4.164  -5.612
   89    H    ALA  19           HN       ALA  19  12.349   2.940  -7.947
   90    HA   ALA  19           HA       ALA  19  11.602   3.767 -10.541
   91   1HB   ALA  19          HB1       ALA  19  14.373   3.171 -10.155
   92   2HB   ALA  19          HB2       ALA  19  13.538   3.695 -11.618
   93   3HB   ALA  19          HB3       ALA  19  13.652   1.977 -11.235
   94    H    THR  20           HN       THR  20  12.468   1.209  -8.296
   95    HA   THR  20           HA       THR  20  10.269  -0.390  -9.329
   96    HB   THR  20           HB       THR  20  12.285  -1.185 -10.537
   97    HG1  THR  20           HG1      THR  20  10.969  -2.841  -8.690
   98   1HG2  THR  20          HG21      THR  20  14.238  -1.469  -9.554
   99   2HG2  THR  20          HG22      THR  20  13.534  -2.664  -8.464
  100   3HG2  THR  20          HG23      THR  20  13.538  -0.957  -8.018
  101    H    CYS  21           HN       CYS  21   9.372  -1.771  -7.798
  102    HA   CYS  21           HA       CYS  21   9.110  -1.064  -5.254
  103   1HB   CYS  21          HB2       CYS  21   9.308  -3.911  -6.258
  104   2HB   CYS  21          HB1       CYS  21   8.662  -3.467  -4.685
  105    H    LYS  22           HN       LYS  22  10.932  -0.203  -4.269
  106    HA   LYS  22           HA       LYS  22  12.529  -2.002  -2.771
  107   1HB   LYS  22          HB2       LYS  22  13.869  -2.392  -4.644
  108   2HB   LYS  22          HB1       LYS  22  13.743  -0.729  -5.199
  109   1HG   LYS  22          HG2       LYS  22  15.085  -0.077  -3.163
  110   2HG   LYS  22          HG1       LYS  22  15.388  -1.800  -2.927
  111   1HD   LYS  22          HD2       LYS  22  16.671  -1.971  -4.842
  112   2HD   LYS  22          HD1       LYS  22  15.930  -0.553  -5.588
  113   1HE   LYS  22          HE2       LYS  22  17.482  -0.171  -3.082
  114   2HE   LYS  22          HE1       LYS  22  18.375  -0.485  -4.569
  115   1HZ   LYS  22          HZ1       LYS  22  16.584   1.400  -5.317
  116   2HZ   LYS  22          HZ2       LYS  22  18.195   1.699  -4.895
  117   3HZ   LYS  22          HZ3       LYS  22  16.972   1.882  -3.741
  118    H    LEU  23           HN       LEU  23  12.504  -0.945  -0.892
  119    HA   LEU  23           HA       LEU  23  13.648   1.709  -0.739
  120   1HB   LEU  23          HB2       LEU  23  11.793   2.754   0.367
  121   2HB   LEU  23          HB1       LEU  23  11.264   2.144  -1.187
  122    HG   LEU  23           HG       LEU  23  10.771   0.702   1.419
  123   1HD1  LEU  23          HD11      LEU  23   8.680   1.681   1.574
  124   2HD1  LEU  23          HD12      LEU  23   8.712   2.255  -0.091
  125   3HD1  LEU  23          HD13      LEU  23   9.722   3.030   1.129
  126   1HD2  LEU  23          HD21      LEU  23   8.854  -0.088  -0.312
  127   2HD2  LEU  23          HD22      LEU  23  10.377  -0.944  -0.070
  128   3HD2  LEU  23          HD23      LEU  23  10.199   0.176  -1.421
  129    H    ARG  24           HN       ARG  24  14.569   2.155   1.218
  130    HA   ARG  24           HA       ARG  24  15.040  -0.025   2.976
  131   1HB   ARG  24          HB2       ARG  24  15.762   2.889   3.016
  132   2HB   ARG  24          HB1       ARG  24  16.082   1.873   4.415
  133   1HG   ARG  24          HG2       ARG  24  17.646   0.585   3.283
  134   2HG   ARG  24          HG1       ARG  24  17.042   1.073   1.697
  135   1HD   ARG  24          HD2       ARG  24  17.842   3.381   2.175
  136   2HD   ARG  24          HD1       ARG  24  18.561   2.778   3.667
  137    HE   ARG  24           HE       ARG  24  19.480   1.243   1.494
  138   1HH1  ARG  24          HH11      ARG  24  19.789   4.422   2.880
  139   2HH1  ARG  24          HH12      ARG  24  21.389   4.676   2.268
  140   1HH2  ARG  24          HH21      ARG  24  21.588   1.565   0.682
  141   2HH2  ARG  24          HH22      ARG  24  22.412   3.052   1.017
  142    H    GLN  25           HN       GLN  25  12.630   2.341   2.765
  143    HA   GLN  25           HA       GLN  25  11.767   1.879   5.537
  144   1HB   GLN  25          HB2       GLN  25  11.515   4.154   3.657
  145   2HB   GLN  25          HB1       GLN  25  10.108   3.830   4.662
  146   1HG   GLN  25          HG2       GLN  25  11.065   4.788   6.408
  147   2HG   GLN  25          HG1       GLN  25  12.484   3.753   6.259
  148   1HE2  GLN  25          HE21      GLN  25  13.240   5.975   7.147
  149   2HE2  GLN  25          HE22      GLN  25  13.854   7.064   5.954
  150    H    GLY  26           HN       GLY  26  11.120  -0.280   4.694
  151   1HA   GLY  26          HA2       GLY  26   9.456  -1.147   2.877
  152   2HA   GLY  26          HA1       GLY  26   9.177  -1.589   4.552
  153    H    ALA  27           HN       ALA  27   7.959  -0.015   1.823
  154    HA   ALA  27           HA       ALA  27   6.080   1.702   3.104
  155   1HB   ALA  27          HB1       ALA  27   6.177   0.665   0.275
  156   2HB   ALA  27          HB2       ALA  27   6.962   2.129   0.857
  157   3HB   ALA  27          HB3       ALA  27   5.201   2.011   0.854
  158    H    GLN  28           HN       GLN  28   5.763  -0.811   4.286
  159    HA   GLN  28           HA       GLN  28   3.853  -2.476   3.099
  160   1HB   GLN  28          HB2       GLN  28   3.928  -2.120   6.060
  161   2HB   GLN  28          HB1       GLN  28   3.716  -3.587   5.119
  162   1HG   GLN  28          HG2       GLN  28   5.823  -3.998   5.623
  163   2HG   GLN  28          HG1       GLN  28   6.209  -2.804   4.384
  164   1HE2  GLN  28          HE21      GLN  28   5.083  -0.645   6.067
  165   2HE2  GLN  28          HE22      GLN  28   6.289  -0.321   7.262
  166    H    CYS  29           HN       CYS  29   2.039  -1.506   2.300
  167    HA   CYS  29           HA       CYS  29  -0.018  -0.513   2.279
  168   1HB   CYS  29          HB2       CYS  29   0.096  -1.315   5.198
  169   2HB   CYS  29          HB1       CYS  29  -1.346  -0.689   4.409
  170    H    ALA  30           HN       ALA  30   1.829   1.297   2.158
  171    HA   ALA  30           HA       ALA  30   1.692   3.187   4.340
  172   1HB   ALA  30          HB1       ALA  30   3.321   4.422   3.233
  173   2HB   ALA  30          HB2       ALA  30   2.834   3.821   1.648
  174   3HB   ALA  30          HB3       ALA  30   3.685   2.760   2.770
  175    H    GLU  31           HN       GLU  31   1.734   5.322   1.911
  176    HA   GLU  31           HA       GLU  31  -0.675   6.535   2.318
  177   1HB   GLU  31          HB2       GLU  31   0.788   7.687   0.868
  178   2HB   GLU  31          HB1       GLU  31   0.997   6.290  -0.176
  179   1HG   GLU  31          HG2       GLU  31  -1.014   6.630  -1.257
  180   2HG   GLU  31          HG1       GLU  31  -1.677   7.592   0.064
  181    H    GLY  32           HN       GLY  32   0.100   3.727   0.508
  182   1HA   GLY  32          HA2       GLY  32  -2.679   2.931   0.410
  183   2HA   GLY  32          HA1       GLY  32  -1.839   3.033  -1.135
  184    H    LEU  33           HN       LEU  33  -1.374   1.017  -1.756
  185    HA   LEU  33           HA       LEU  33  -0.653  -0.931   0.265
  186   1HB   LEU  33          HB2       LEU  33  -2.182  -1.195  -1.891
  187   2HB   LEU  33          HB1       LEU  33  -0.650  -1.611  -2.629
  188    HG   LEU  33           HG       LEU  33  -2.357  -3.355  -1.389
  189   1HD1  LEU  33          HD11      LEU  33   0.078  -4.611  -1.283
  190   2HD1  LEU  33          HD12      LEU  33   0.315  -3.352  -2.495
  191   3HD1  LEU  33          HD13      LEU  33  -0.991  -4.522  -2.683
  192   1HD2  LEU  33          HD21      LEU  33  -1.848  -2.585   0.834
  193   2HD2  LEU  33          HD22      LEU  33  -0.117  -2.711   0.524
  194   3HD2  LEU  33          HD23      LEU  33  -1.107  -4.168   0.599
  195    H    CYS  34           HN       CYS  34   1.087  -2.632  -0.892
  196    HA   CYS  34           HA       CYS  34   3.428  -1.138  -1.801
  197   1HB   CYS  34          HB2       CYS  34   4.469  -1.356   0.172
  198   2HB   CYS  34          HB1       CYS  34   3.141  -2.300   0.818
  199    H    CYS  35           HN       CYS  35   5.243  -2.881  -2.273
  200    HA   CYS  35           HA       CYS  35   4.070  -5.296  -3.320
  201   1HB   CYS  35          HB2       CYS  35   3.880  -4.485  -5.406
  202   2HB   CYS  35          HB1       CYS  35   4.758  -3.025  -4.979
  203    H    ASP  36           HN       ASP  36   6.906  -3.448  -2.566
  204    HA   ASP  36           HA       ASP  36   8.744  -5.585  -3.081
  205   1HB   ASP  36          HB2       ASP  36   9.156  -2.977  -2.995
  206   2HB   ASP  36          HB1       ASP  36   9.439  -3.296  -1.288
  207    H    GLN  37           HN       GLN  37  10.390  -5.895  -1.104
  208    HA   GLN  37           HA       GLN  37   9.288  -7.694   0.624
  209   1HB   GLN  37          HB2       GLN  37  11.744  -5.976   0.854
  210   2HB   GLN  37          HB1       GLN  37  11.315  -7.126   2.113
  211   1HG   GLN  37          HG2       GLN  37  11.239  -8.865   0.243
  212   2HG   GLN  37          HG1       GLN  37  12.085  -7.663  -0.731
  213   1HE2  GLN  37          HE21      GLN  37  14.218  -7.307  -0.399
  214   2HE2  GLN  37          HE22      GLN  37  15.182  -8.189   0.731
  215    H    CYS  38           HN       CYS  38   9.014  -4.265   0.756
  216    HA   CYS  38           HA       CYS  38   8.869  -3.335   3.183
  217   1HB   CYS  38          HB2       CYS  38   6.258  -2.721   2.473
  218   2HB   CYS  38          HB1       CYS  38   7.694  -1.800   2.078
  219    H    ARG  39           HN       ARG  39   6.169  -5.324   2.040
  220    HA   ARG  39           HA       ARG  39   5.249  -7.157   3.213
  221   1HB   ARG  39          HB2       ARG  39   7.072  -6.687   5.052
  222   2HB   ARG  39          HB1       ARG  39   5.755  -5.847   5.860
  223   1HG   ARG  39          HG2       ARG  39   4.771  -7.752   6.475
  224   2HG   ARG  39          HG1       ARG  39   5.022  -8.500   4.896
  225   1HD   ARG  39          HD2       ARG  39   7.399  -8.881   5.528
  226   2HD   ARG  39          HD1       ARG  39   7.022  -8.276   7.140
  227    HE   ARG  39           HE       ARG  39   5.302 -10.415   6.336
  228   1HH1  ARG  39          HH11      ARG  39   8.426  -9.653   7.672
  229   2HH1  ARG  39          HH12      ARG  39   8.589 -11.169   8.493
  230   1HH2  ARG  39          HH21      ARG  39   5.506 -12.415   7.412
  231   2HH2  ARG  39          HH22      ARG  39   6.929 -12.740   8.345
  232    H    PHE  40           HN       PHE  40   3.473  -6.850   5.393
  233    HA   PHE  40           HA       PHE  40   2.013  -4.397   4.982
  234   1HB   PHE  40          HB2       PHE  40   0.665  -6.957   4.145
  235   2HB   PHE  40          HB1       PHE  40   0.095  -5.300   3.915
  236    HD1  PHE  40           HD1      PHE  40   2.466  -7.855   2.784
  237    HD2  PHE  40           HD2      PHE  40   0.981  -3.917   2.150
  238    HE1  PHE  40           HE1      PHE  40   3.649  -7.755   0.651
  239    HE2  PHE  40           HE2      PHE  40   2.156  -3.822   0.013
  240    HZ   PHE  40           HZ       PHE  40   3.491  -5.736  -0.737
  241    H    MET  41           HN       MET  41  -0.159  -4.475   6.114
  242    HA   MET  41           HA       MET  41   0.316  -5.367   8.779
  243   1HB   MET  41          HB2       MET  41  -1.349  -3.412   7.459
  244   2HB   MET  41          HB1       MET  41  -2.262  -4.311   8.665
  245   1HG   MET  41          HG2       MET  41   0.391  -3.020   9.241
  246   2HG   MET  41          HG1       MET  41  -1.151  -2.199   9.466
  247   1HE   MET  41          HE1       MET  41  -2.971  -4.202  12.057
  248   2HE   MET  41          HE2       MET  41  -3.024  -3.139  10.651
  249   3HE   MET  41          HE3       MET  41  -2.413  -2.534  12.190
  250    H    LYS  42           HN       LYS  42  -2.433  -5.870   6.521
  251    HA   LYS  42           HA       LYS  42  -3.834  -7.647   6.275
  252   1HB   LYS  42          HB2       LYS  42  -2.393  -9.394   6.178
  253   2HB   LYS  42          HB1       LYS  42  -1.491  -8.866   7.585
  254   1HG   LYS  42          HG2       LYS  42  -2.559 -11.057   7.887
  255   2HG   LYS  42          HG1       LYS  42  -3.114  -9.867   9.061
  256   1HD   LYS  42          HD2       LYS  42  -5.024  -9.478   7.307
  257   2HD   LYS  42          HD1       LYS  42  -4.564 -11.088   6.753
  258   1HE   LYS  42          HE2       LYS  42  -4.997 -10.659   9.665
  259   2HE   LYS  42          HE1       LYS  42  -6.409 -10.732   8.611
  260   1HZ   LYS  42          HZ1       LYS  42  -4.416 -12.823   8.254
  261   2HZ   LYS  42          HZ2       LYS  42  -6.104 -12.916   8.203
  262   3HZ   LYS  42          HZ3       LYS  42  -5.304 -12.877   9.693
  263    H    GLU  43           HN       GLU  43  -5.579  -6.760   7.207
  264    HA   GLU  43           HA       GLU  43  -6.953  -7.785   9.222
  265   1HB   GLU  43          HB2       GLU  43  -5.333  -7.516  10.903
  266   2HB   GLU  43          HB1       GLU  43  -4.925  -5.892  10.366
  267   1HG   GLU  43          HG2       GLU  43  -6.114  -5.580  12.343
  268   2HG   GLU  43          HG1       GLU  43  -7.284  -5.243  11.069
  269    H    GLY  44           HN       GLY  44  -6.010  -5.003   7.507
  270   1HA   GLY  44          HA2       GLY  44  -7.972  -3.896   6.445
  271   2HA   GLY  44          HA1       GLY  44  -8.607  -3.741   8.075
  272    H    THR  45           HN       THR  45  -5.271  -3.351   7.137
  273    HA   THR  45           HA       THR  45  -5.172  -0.816   8.427
  274    HB   THR  45           HB       THR  45  -3.239  -2.325   6.707
  275    HG1  THR  45           HG1      THR  45  -3.797  -2.846   8.991
  276   1HG2  THR  45          HG21      THR  45  -2.005  -0.245   8.206
  277   2HG2  THR  45          HG22      THR  45  -3.193   0.435   7.094
  278   3HG2  THR  45          HG23      THR  45  -1.901  -0.598   6.481
  279    H    ILE  46           HN       ILE  46  -3.772  -1.009   5.261
  280    HA   ILE  46           HA       ILE  46  -5.840   0.549   4.028
  281    HB   ILE  46           HB       ILE  46  -3.713   1.912   5.344
  282   1HG1  ILE  46          HG12      ILE  46  -5.163   3.767   3.867
  283   2HG1  ILE  46          HG11      ILE  46  -6.280   2.424   4.085
  284   1HG2  ILE  46          HG21      ILE  46  -3.526   2.001   2.364
  285   2HG2  ILE  46          HG22      ILE  46  -2.242   1.954   3.569
  286   3HG2  ILE  46          HG23      ILE  46  -3.162   3.437   3.318
  287   1HD1  ILE  46          HD11      ILE  46  -5.620   4.453   5.912
  288   2HD1  ILE  46          HD12      ILE  46  -4.971   2.947   6.559
  289   3HD1  ILE  46          HD13      ILE  46  -6.683   3.068   6.155
  290    H    CYS  47           HN       CYS  47  -6.015  -0.760   2.334
  291    HA   CYS  47           HA       CYS  47  -3.629  -1.617   0.875
  292   1HB   CYS  47          HB2       CYS  47  -5.621  -3.129   1.586
  293   2HB   CYS  47          HB1       CYS  47  -6.391  -2.467   0.147
  294    H    ARG  48           HN       ARG  48  -5.199   1.089   0.849
  295    HA   ARG  48           HA       ARG  48  -6.482   1.885  -1.256
  296   1HB   ARG  48          HB2       ARG  48  -3.808   3.177  -0.947
  297   2HB   ARG  48          HB1       ARG  48  -5.336   3.921  -1.362
  298   1HG   ARG  48          HG2       ARG  48  -5.927   2.951   1.083
  299   2HG   ARG  48          HG1       ARG  48  -4.210   3.287   1.273
  300   1HD   ARG  48          HD2       ARG  48  -6.470   5.152   0.814
  301   2HD   ARG  48          HD1       ARG  48  -5.061   5.321   1.857
  302    HE   ARG  48           HE       ARG  48  -4.126   5.385  -0.747
  303   1HH1  ARG  48          HH11      ARG  48  -6.270   7.257   1.261
  304   2HH1  ARG  48          HH12      ARG  48  -5.948   8.748   0.440
  305   1HH2  ARG  48          HH21      ARG  48  -3.695   7.344  -1.835
  306   2HH2  ARG  48          HH22      ARG  48  -4.485   8.797  -1.320
  307    H    ARG  49           HN       ARG  49  -6.684   1.072  -3.209
  308    HA   ARG  49           HA       ARG  49  -4.240   0.767  -4.829
  309   1HB   ARG  49          HB2       ARG  49  -5.606  -1.120  -5.984
  310   2HB   ARG  49          HB1       ARG  49  -4.785  -1.456  -4.466
  311   1HG   ARG  49          HG2       ARG  49  -6.696  -1.879  -3.400
  312   2HG   ARG  49          HG1       ARG  49  -7.501  -0.473  -4.100
  313   1HD   ARG  49          HD2       ARG  49  -8.533  -2.642  -4.738
  314   2HD   ARG  49          HD1       ARG  49  -7.993  -1.679  -6.112
  315    HE   ARG  49           HE       ARG  49  -5.884  -3.309  -5.607
  316   1HH1  ARG  49          HH11      ARG  49  -9.279  -3.849  -6.159
  317   2HH1  ARG  49          HH12      ARG  49  -9.047  -5.408  -6.878
  318   1HH2  ARG  49          HH21      ARG  49  -5.566  -5.360  -6.553
  319   2HH2  ARG  49          HH22      ARG  49  -6.935  -6.268  -7.101
  320    H    ALA  50           HN       ALA  50  -7.091   2.391  -4.489
  321    HA   ALA  50           HA       ALA  50  -7.883   2.476  -7.260
  322   1HB   ALA  50          HB1       ALA  50  -8.984   3.327  -4.750
  323   2HB   ALA  50          HB2       ALA  50  -9.787   3.102  -6.304
  324   3HB   ALA  50          HB3       ALA  50  -9.036   4.650  -5.916
  325    H    ARG  51           HN       ARG  51  -8.065   4.620  -8.390
  326    HA   ARG  51           HA       ARG  51  -5.695   6.280  -7.838
  327   1HB   ARG  51          HB2       ARG  51  -5.980   6.643 -10.482
  328   2HB   ARG  51          HB1       ARG  51  -4.970   5.380  -9.792
  329   1HG   ARG  51          HG2       ARG  51  -6.721   3.752 -10.091
  330   2HG   ARG  51          HG1       ARG  51  -7.828   5.004 -10.659
  331   1HD   ARG  51          HD2       ARG  51  -5.388   5.063 -12.177
  332   2HD   ARG  51          HD1       ARG  51  -6.075   3.439 -12.190
  333    HE   ARG  51           HE       ARG  51  -7.891   4.234 -13.385
  334   1HH1  ARG  51          HH11      ARG  51  -5.858   6.868 -12.357
  335   2HH1  ARG  51          HH12      ARG  51  -6.629   8.033 -13.381
  336   1HH2  ARG  51          HH21      ARG  51  -8.913   5.760 -14.737
  337   2HH2  ARG  51          HH22      ARG  51  -8.366   7.403 -14.734
  338    H    GLY  52           HN       GLY  52  -7.910   6.904 -10.460
  339   1HA   GLY  52          HA2       GLY  52  -8.972   8.924 -10.922
  340   2HA   GLY  52          HA1       GLY  52  -9.926   8.382  -9.550
  341    H    ASP  53           HN       ASP  53  -9.844   9.495  -7.669
  342    HA   ASP  53           HA       ASP  53  -7.735  11.448  -7.225
  343   1HB   ASP  53          HB2       ASP  53 -10.041  12.298  -8.454
  344   2HB   ASP  53          HB1       ASP  53 -10.390  12.609  -6.757
  345    H    ASP  54           HN       ASP  54  -9.076   8.939  -6.047
  346    HA   ASP  54           HA       ASP  54  -9.313  10.003  -3.310
  347   1HB   ASP  54          HB2       ASP  54 -10.997   7.965  -4.727
  348   2HB   ASP  54          HB1       ASP  54 -10.826   7.909  -2.976
  349    H    LEU  55           HN       LEU  55  -9.027   6.826  -4.911
  350    HA   LEU  55           HA       LEU  55  -7.667   5.045  -4.520
  351   1HB   LEU  55          HB2       LEU  55  -5.647   6.938  -3.364
  352   2HB   LEU  55          HB1       LEU  55  -5.371   5.457  -4.262
  353    HG   LEU  55           HG       LEU  55  -6.501   6.764  -6.228
  354   1HD1  LEU  55          HD11      LEU  55  -7.127   8.828  -5.674
  355   2HD1  LEU  55          HD12      LEU  55  -5.412   9.232  -5.697
  356   3HD1  LEU  55          HD13      LEU  55  -6.196   8.801  -4.177
  357   1HD2  LEU  55          HD21      LEU  55  -4.290   6.046  -6.487
  358   2HD2  LEU  55          HD22      LEU  55  -3.705   7.088  -5.191
  359   3HD2  LEU  55          HD23      LEU  55  -4.212   7.791  -6.726
  360    H    ASP  56           HN       ASP  56  -8.833   4.016  -2.915
  361    HA   ASP  56           HA       ASP  56  -7.671   4.215  -0.246
  362   1HB   ASP  56          HB2       ASP  56 -10.557   4.677  -0.921
  363   2HB   ASP  56          HB1       ASP  56 -10.112   3.997   0.640
  364    H    ASP  57           HN       ASP  57  -8.559   2.417   1.184
  365    HA   ASP  57           HA       ASP  57  -9.860   0.185   0.579
  366   1HB   ASP  57          HB2       ASP  57  -7.505   0.343  -1.147
  367   2HB   ASP  57          HB1       ASP  57  -7.605  -1.164  -0.247
  368    H    TYR  58           HN       TYR  58  -9.336  -1.665   1.896
  369    HA   TYR  58           HA       TYR  58  -7.528  -0.961   4.096
  370   1HB   TYR  58          HB2       TYR  58 -10.050  -2.568   3.969
  371   2HB   TYR  58          HB1       TYR  58  -8.893  -2.857   5.264
  372    HD1  TYR  58           HD1      TYR  58  -9.881  -1.980   7.189
  373    HD2  TYR  58           HD2      TYR  58  -9.863   0.327   3.616
  374    HE1  TYR  58           HE1      TYR  58 -10.781  -0.056   8.430
  375    HE2  TYR  58           HE2      TYR  58 -10.763   2.256   4.844
  376    HH   TYR  58           HH       TYR  58 -11.296   3.076   6.851
  377    H    CYS  59           HN       CYS  59  -6.021  -2.365   4.874
  378    HA   CYS  59           HA       CYS  59  -5.087  -4.320   2.969
  379   1HB   CYS  59          HB2       CYS  59  -3.951  -2.827   5.234
  380   2HB   CYS  59          HB1       CYS  59  -3.205  -4.370   4.872
  381    H    ASN  60           HN       ASN  60  -6.211  -6.172   3.094
  382    HA   ASN  60           HA       ASN  60  -6.104  -7.683   5.621
  383   1HB   ASN  60          HB2       ASN  60  -8.286  -7.513   3.556
  384   2HB   ASN  60          HB1       ASN  60  -8.109  -8.960   4.541
  385   1HD2  ASN  60          HD21      ASN  60  -7.754  -5.511   5.266
  386   2HD2  ASN  60          HD22      ASN  60  -8.910  -5.494   6.547
  387    H    GLY  61           HN       GLY  61  -4.847  -9.472   5.473
  388   1HA   GLY  61          HA2       GLY  61  -3.439 -11.036   4.508
  389   2HA   GLY  61          HA1       GLY  61  -4.804 -11.345   3.434
  390    H    ILE  62           HN       ILE  62  -3.433  -8.236   3.627
  391    HA   ILE  62           HA       ILE  62  -2.992  -7.944   0.890
  392    HB   ILE  62           HB       ILE  62  -1.650  -5.864   1.736
  393   1HG1  ILE  62          HG12      ILE  62  -1.841  -5.250   3.938
  394   2HG1  ILE  62          HG11      ILE  62  -3.354  -6.110   4.160
  395   1HG2  ILE  62          HG21      ILE  62  -3.943  -6.037   0.713
  396   2HG2  ILE  62          HG22      ILE  62  -3.682  -4.669   1.794
  397   3HG2  ILE  62          HG23      ILE  62  -4.575  -6.077   2.356
  398   1HD1  ILE  62          HD11      ILE  62  -0.884  -6.824   5.147
  399   2HD1  ILE  62          HD12      ILE  62  -1.138  -7.929   3.804
  400   3HD1  ILE  62          HD13      ILE  62  -2.325  -7.831   5.084
  401    H    SER  63           HN       SER  63  -1.523  -9.455   0.061
  402    HA   SER  63           HA       SER  63   1.236  -9.184   1.018
  403   1HB   SER  63          HB2       SER  63   1.711 -11.275   0.109
  404   2HB   SER  63          HB1       SER  63   0.089 -11.465   0.773
  405    HG   SER  63           HG       SER  63   0.860 -11.909  -1.701
  406    H    ALA  64           HN       ALA  64   0.878  -7.017  -0.054
  407    HA   ALA  64           HA       ALA  64   1.610  -5.577  -1.621
  408   1HB   ALA  64          HB1       ALA  64   2.720  -8.076  -2.792
  409   2HB   ALA  64          HB2       ALA  64   3.565  -6.675  -2.148
  410   3HB   ALA  64          HB3       ALA  64   2.755  -6.571  -3.705
  411    H    GLY  65           HN       GLY  65  -0.928  -7.368  -1.731
  412   1HA   GLY  65          HA2       GLY  65  -1.838  -6.338  -4.344
  413   2HA   GLY  65          HA1       GLY  65  -2.340  -7.912  -3.733
  414    H    CYS  66           HN       CYS  66  -4.318  -7.899  -2.911
  415    HA   CYS  66           HA       CYS  66  -5.125  -6.164  -0.852
  416   1HB   CYS  66          HB2       CYS  66  -6.113  -5.498  -3.602
  417   2HB   CYS  66          HB1       CYS  66  -7.170  -5.254  -2.219
  418    HA   PRO  67           HA       PRO  67  -7.748  -9.504   0.181
  419   1HB   PRO  67          HB2       PRO  67  -9.972  -8.000   0.998
  420   2HB   PRO  67          HB1       PRO  67  -8.621  -8.504   2.016
  421   1HG   PRO  67          HG2       PRO  67  -9.092  -5.896   0.643
  422   2HG   PRO  67          HG1       PRO  67  -8.367  -6.215   2.229
  423   1HD   PRO  67          HD2       PRO  67  -6.844  -5.570   0.141
  424   2HD   PRO  67          HD1       PRO  67  -6.310  -6.805   1.304
  425    H    ARG  68           HN       ARG  68 -10.518  -9.578   0.086
  426    HA   ARG  68           HA       ARG  68 -11.103  -9.218  -2.779
  427   1HB   ARG  68          HB2       ARG  68 -11.667 -11.587  -1.005
  428   2HB   ARG  68          HB1       ARG  68 -12.536 -11.321  -2.510
  429   1HG   ARG  68          HG2       ARG  68 -10.252 -11.230  -3.627
  430   2HG   ARG  68          HG1       ARG  68  -9.617 -11.887  -2.117
  431   1HD   ARG  68          HD2       ARG  68 -11.182 -13.182  -4.236
  432   2HD   ARG  68          HD1       ARG  68 -10.028 -13.871  -3.094
  433    HE   ARG  68           HE       ARG  68 -11.762 -14.297  -1.623
  434   1HH1  ARG  68          HH11      ARG  68 -12.891 -12.419  -4.330
  435   2HH1  ARG  68          HH12      ARG  68 -14.567 -12.653  -3.960
  436   1HH2  ARG  68          HH21      ARG  68 -13.966 -14.613  -1.127
  437   2HH2  ARG  68          HH22      ARG  68 -15.178 -13.901  -2.138
  438    H    ASN  69           HN       ASN  69 -11.763  -7.329  -0.831
  439    HA   ASN  69           HA       ASN  69 -14.667  -7.372  -1.066
  440   1HB   ASN  69          HB2       ASN  69 -13.165  -7.264   1.531
  441   2HB   ASN  69          HB1       ASN  69 -14.724  -6.458   1.376
  442   1HD2  ASN  69          HD21      ASN  69 -14.695  -8.291   3.209
  443   2HD2  ASN  69          HD22      ASN  69 -15.462  -9.754   2.705
  444    HA   PRO  70           HA       PRO  70 -14.226  -3.099  -1.994
  445   1HB   PRO  70          HB2       PRO  70 -16.457  -2.030  -0.846
  446   2HB   PRO  70          HB1       PRO  70 -16.491  -2.984  -2.334
  447   1HG   PRO  70          HG2       PRO  70 -17.097  -3.829   0.473
  448   2HG   PRO  70          HG1       PRO  70 -17.957  -4.226  -1.027
  449   1HD   PRO  70          HD2       PRO  70 -16.244  -5.949   0.147
  450   2HD   PRO  70          HD1       PRO  70 -16.435  -5.860  -1.616
  451    H    PHE  71           HN       PHE  71 -13.854  -0.982  -1.104
  452    HA   PHE  71           HA       PHE  71 -13.821  -0.535   1.716
  453   1HB   PHE  71          HB2       PHE  71 -11.210  -1.073   0.299
  454   2HB   PHE  71          HB1       PHE  71 -11.314  -0.226   1.839
  455    HD1  PHE  71           HD1      PHE  71 -12.891  -1.558   3.599
  456    HD2  PHE  71           HD2      PHE  71 -10.665  -3.287   0.411
  457    HE1  PHE  71           HE1      PHE  71 -12.876  -3.714   4.784
  458    HE2  PHE  71           HE2      PHE  71 -10.647  -5.447   1.589
  459    HZ   PHE  71           HZ       PHE  71 -11.754  -5.662   3.779
  460    H    HIS  72           HN       HIS  72 -11.963   0.485  -1.165
  461    HA   HIS  72           HA       HIS  72 -11.493   3.071  -0.734
  462   1HB   HIS  72          HB2       HIS  72 -10.876   2.313  -2.851
  463   2HB   HIS  72          HB1       HIS  72 -12.485   1.696  -3.209
  464    HD1  HIS  72           HD1      HIS  72 -13.531   3.016  -5.000
  465    HD2  HIS  72           HD2      HIS  72 -11.170   5.386  -2.537
  466    HE1  HIS  72           HE1      HIS  72 -13.738   5.350  -5.914
  467    HE2  HIS  72           HE2      HIS  72 -12.393   6.782  -4.338
  468    H    ALA  73           HN       ALA  73 -14.677   1.755  -1.509
  469    HA   ALA  73           HA       ALA  73 -16.245   3.378  -0.051
  470   1HB   ALA  73          HB1       ALA  73 -16.963   5.132  -1.801
  471   2HB   ALA  73          HB2       ALA  73 -15.396   4.805  -2.543
  472   3HB   ALA  73          HB3       ALA  73 -15.480   5.406  -0.887