*HEADER    TOXIN                                   01-MAR-11   2LA1              
*TITLE     EXPRESSION IN PICHIA PASTORIS AND BACKBONE DYNAMICS OF DENDROASPIN, A 
*TITLE    2 THREE FINGER TOXIN                                                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MAMBIN;                                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: DENDROASPIN, GLYCOPROTEIN IIB-IIIA ANTAGONIST, PLATELET     
*COMPND   5 AGGREGATION INHIBITOR;                                               
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: DENDROASPIS JAMESONI KAIMOSAE;                  
*SOURCE   3 ORGANISM_COMMON: EASTERN JAMESON'S MAMBA;                            
*SOURCE   4 ORGANISM_TAXID: 8619;                                                
*SOURCE   5 EXPRESSION_SYSTEM: PICHIA PASTORIS;                                  
*SOURCE   6 EXPRESSION_SYSTEM_TAXID: 4922;                                       
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: X-33;                                      
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PPICZALPHAA                                
*KEYWDS    DENDROASPIN, DISINTEGRIN, INTEGRIN, THREE-FINGER FOLD, SNAKE TOXIN,   
*KEYWDS   2 TOXIN                                                                
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    W.J.CHUANG, C.H.CHENG, Y.C.CHEN, J.H.SHIU                             
*REVDAT   1   07-MAR-12 2LA1    0                                                


! restraints for dendroaspin
 assign ( resid 1 and name ht* ) ( resid 2 and name hn ) 4.10 1.80 1.90
 assign ( resid 2 and name hn ) ( resid 3 and name hn ) 4.10 1.80 1.90
 assign ( resid 3 and name hn ) ( resid 4 and name hn ) 3.40 1.60 1.60
 assign ( resid 4 and name hn ) ( resid 5 and name hn ) 4.10 1.80 1.90
 assign ( resid 5 and name hn ) ( resid 6 and name hn ) 2.70 0.90 0.90
 assign ( resid 6 and name hn ) ( resid 7 and name hn ) 3.40 1.60 1.60
 assign ( resid 7 and name hn ) ( resid 8 and name hn ) 3.40 1.60 1.60
 assign ( resid 8 and name hn ) ( resid 9 and name hn ) 3.40 1.60 1.60 
 assign ( resid 9 and name hn ) ( resid 10 and name hn ) 2.70 0.90 2.30
 assign ( resid 13 and name hn ) ( resid 14 and name hn ) 4.10 1.80 1.90
 assign ( resid 14 and name hn ) ( resid 15 and name hn ) 3.40 1.60 1.60
 assign ( resid 15 and name hn ) ( resid 16 and name hn ) 4.10 1.80 1.90 
 assign ( resid 16 and name hn ) ( resid 17 and name hn ) 4.10 1.80 1.90
 assign ( resid 17 and name hn ) ( resid 18 and name hn ) 4.10 1.80 1.90
 assign ( resid 18 and name hn ) ( resid 19 and name hn ) 2.70 0.90 0.90
 assign ( resid 19 and name hn ) ( resid 20 and name hn ) 4.10 1.80 1.90
 assign ( resid 20 and name hn ) ( resid 21 and name hn ) 2.70 0.90 0.90
 assign ( resid 21 and name hn ) ( resid 22 and name hn ) 3.40 1.60 1.60 
 assign ( resid 22 and name hn ) ( resid 23 and name hn ) 3.40 1.60 1.60 
 assign ( resid 23 and name hn ) ( resid 24 and name hn ) 4.10 1.80 1.90
 assign ( resid 24 and name hn ) ( resid 25 and name hn ) 4.10 1.80 1.90
 assign ( resid 25 and name hn ) ( resid 26 and name hn ) 4.10 1.80 1.90    
 assign ( resid 26 and name hn ) ( resid 27 and name hn ) 2.70 0.90 0.90
 assign ( resid 27 and name hn ) ( resid 28 and name hn ) 4.10 1.80 1.90
 assign ( resid 28 and name hn ) ( resid 29 and name hn ) 4.10 1.80 1.90  
 assign ( resid 29 and name hn ) ( resid 30 and name hn ) 2.70 0.90 1.40
 assign ( resid 30 and name hn ) ( resid 31 and name hn ) 2.70 0.90 0.90
 assign ( resid 31 and name hn ) ( resid 32 and name hn ) 4.10 1.80 1.90   
 assign ( resid 32 and name hn ) ( resid 33 and name hn ) 4.10 1.80 1.90
 assign ( resid 33 and name hn ) ( resid 34 and name hn ) 4.10 1.80 1.90
 assign ( resid 34 and name hn ) ( resid 35 and name hn ) 3.40 1.60 1.60
 assign ( resid 35 and name hn ) ( resid 36 and name hn ) 4.10 1.80 1.90
 assign ( resid 36 and name hn ) ( resid 37 and name hn ) 3.40 1.60 1.60     
 assign ( resid 37 and name hn ) ( resid 38  and name hn ) 4.10 1.80 1.90
 assign ( resid 38 and name hn ) ( resid 39 and name hn ) 3.40 1.60 1.60
 assign ( resid 39 and name hn ) ( resid 40 and name hn ) 4.10 1.80 1.90
 assign ( resid 40 and name hn ) ( resid 41 and name hn ) 3.40 1.60 1.60
 assign ( resid 44 and name hn ) ( resid 45 and name hn ) 3.40 1.60 1.60
 assign ( resid 45 and name hn ) ( resid 46 and name hn ) 2.70 0.90 0.90
 assign ( resid 50 and name hn ) ( resid 51 and name hn ) 3.40 1.60 1.60
 assign ( resid 51 and name hn ) ( resid 52 and name hn ) 3.40 1.60 1.60
 assign ( resid 52 and name hn ) ( resid 53 and name hn ) 3.40 1.60 1.60
 assign ( resid 53 and name hn ) ( resid 54 and name hn ) 2.70 0.90 1.40
 assign ( resid 54 and name hn ) ( resid 55 and name hn ) 4.10 1.80 1.90
 assign ( resid 55 and name hn ) ( resid 56 and name hn ) 4.10 1.80 1.90 
 assign ( resid 56 and name hn ) ( resid 57 and name hn ) 2.70 0.90 1.40
 assign ( resid 57 and name hn ) ( resid 58 and name hn ) 2.70 0.90 0.90
 assign ( resid 58 and name hn ) ( resid 59 and name hn ) 2.70 0.90 1.40
 assign ( resid 2 and name hn ) ( resid 1 and name ha ) 2.70 0.90 0.90
 assign ( resid 3 and name hn ) ( resid 2 and name ha ) 2.70 0.90 0.90
 assign ( resid 4 and name hn ) ( resid 3 and name ha ) 2.30 0.50 0.50
 assign ( resid 5 and name hn ) ( resid 4 and name ha ) 2.30 0.50 0.50
 assign ( resid 6 and name hn ) ( resid 5 and name ha ) 3.40 1.60 1.60
 assign ( resid 7 and name hn ) ( resid 6 and name ha ) 2.30 0.50 3.50
 assign ( resid 8 and name hn ) ( resid 7 and name ha ) 2.70 0.90 0.90
 assign ( resid 9 and name hn ) ( resid 8 and name ha1 ) 2.70 0.90 0.90
 assign ( resid 9 and name hn ) ( resid 8 and name ha2 ) 2.70 0.90 0.90
 assign ( resid 10 and name hn ) ( resid 9 and name ha )  3.40 1.60 1.60
 assign ( resid 13 and name hn ) ( resid 12 and name ha ) 2.70 0.90 0.90
 assign ( resid 14 and name hn ) ( resid 13 and name ha ) 2.30 0.50 0.50
 assign ( resid 15 and name hn ) ( resid 14 and name ha ) 2.30 0.50 0.50
 assign ( resid 16 and name hn ) ( resid 15 and name ha ) 2.30 0.50 0.50
 assign ( resid 17 and name hn ) ( resid 16 and name ha ) 2.30 0.50 0.50
 assign ( resid 18 and name hn ) ( resid 17 and name ha ) 2.30 0.50 0.50
 assign ( resid 19 and name hn ) ( resid 18 and name ha ) 3.40 1.60 1.60
 assign ( resid 20 and name hn ) ( resid 19 and name ha ) 2.70 0.90 0.90
 assign ( resid 21 and name hn ) ( resid 20 and name ha ) 3.40 1.60 1.60
 assign ( resid 22 and name hn ) ( resid 21 and name ha ) 2.30 0.50 0.50
 assign ( resid 23 and name hn ) ( resid 22 and name ha ) 2.70 0.90 0.90
 assign ( resid 24 and name hn ) ( resid 23 and name ha ) 2.30 0.50 0.50
 assign ( resid 25 and name hn ) ( resid 24 and name ha ) 2.70 0.90 0.90
 assign ( resid 26 and name hn ) ( resid 25 and name ha ) 2.70 0.90 0.90
 assign ( resid 27 and name hn ) ( resid 26 and name ha ) 3.40 1.60 1.60
 assign ( resid 28 and name hn ) ( resid 27 and name ha ) 2.70 0.90 0.90
 assign ( resid 29 and name hn ) ( resid 28 and name ha ) 2.70 0.90 0.90
 assign ( resid 30 and name hn ) ( resid 29 and name ha ) 3.40 1.60 1.60
 assign ( resid 31 and name hn ) ( resid 30 and name ha ) 3.40 1.60 1.60
 assign ( resid 32 and name hn ) ( resid 31 and name ha ) 3.40 1.60 1.60
 assign ( resid 33 and name hn ) ( resid 32 and name ha ) 2.70 0.90 0.90 
 assign ( resid 34 and name hn ) ( resid 33 and name ha ) 2.30 0.50 0.50
 assign ( resid 35 and name hn ) ( resid 34 and name ha ) 2.30 0.50 0.50
 assign ( resid 36 and name hn ) ( resid 35 and name ha ) 2.70 0.90 0.90
 assign ( resid 37 and name hn ) ( resid 36 and name ha1 ) 2.30 0.50 0.50
 assign ( resid 37 and name hn ) ( resid 36 and name ha2 ) 2.30 0.50 0.50
 assign ( resid 38 and name hn ) ( resid 37 and name ha ) 2.30 0.50 0.50
 assign ( resid 39 and name hn ) ( resid 38 and name ha1 ) 2.70 0.90 0.90
 assign ( resid 39 and name hn ) ( resid 38 and name ha2 ) 2.30 0.50 0.50
 assign ( resid 40 and name hn ) ( resid 39 and name ha ) 2.70 0.90 0.90
 assign ( resid 41 and name hn ) ( resid 40 and name ha ) 2.70 0.90 0.90
 assign ( resid 43 and name hn ) ( resid 42 and name ha ) 2.30 0.50 0.50
 assign ( resid 44 and name hn ) ( resid 43 and name ha ) 2.70 0.90 0.90
 assign ( resid 45 and name hn ) ( resid 44 and name ha1 ) 2.70 0.90 0.90
 assign ( resid 45 and name hn ) ( resid 44 and name ha2 ) 2.70 0.90 0.90
 assign ( resid 46 and name hn ) ( resid 45 and name ha ) 3.40 1.60 1.60
 assign ( resid 48 and name hn ) ( resid 47 and name ha ) 2.70 0.90 0.90
 assign ( resid 50 and name hn ) ( resid 49 and name ha ) 2.70 0.90 0.90
 assign ( resid 51 and name hn ) ( resid 50 and name ha ) 2.30 0.50 0.50
 assign ( resid 52 and name hn ) ( resid 51 and name ha ) 2.30 0.50 0.50
 assign ( resid 53 and name hn ) ( resid 52 and name ha ) 2.30 0.50 0.50
 assign ( resid 54 and name hn ) ( resid 53 and name ha ) 2.70 0.90 1.40
 assign ( resid 55 and name hn ) ( resid 54 and name ha ) 2.30 0.50 0.50
 assign ( resid 56 and name hn ) ( resid 55 and name ha ) 2.30 0.50 0.50
 assign ( resid 57 and name hn ) ( resid 56 and name ha ) 2.70 0.90 1.40
 assign ( resid 58 and name hn ) ( resid 57 and name ha ) 3.40 1.60 1.60
 assign ( resid 59 and name hn ) ( resid 58 and name ha ) 3.40 1.60 1.60
 assign ( resid 1 and name ht1 ) ( resid 1 and name ha ) 2.70 0.90 0.90 
 assign ( resid 10 and name hn ) ( resid 10 and name ha ) 2.70 0.90 0.90
 assign ( resid 13 and name hn ) ( resid 13 and name ha ) 3.40 1.60 1.60
 assign ( resid 13 and name hn ) ( resid 13 and name hb ) 3.40 1.60 1.60
 assign ( resid 14 and name hn ) ( resid 14 and name ha ) 3.40 1.60 1.60
 assign ( resid 14 and name hn ) ( resid 14 and name hb ) 2.70 0.90 0.90
 assign ( resid 15 and name hn ) ( resid 15 and name ha ) 2.70 0.90 0.90
 assign ( resid 16 and name hn ) ( resid 16 and name ha ) 2.70 0.90 0.90
 assign ( resid 16 and name hn ) ( resid 16 and name hb ) 3.40 1.60 1.60
 assign ( resid 17 and name hn ) ( resid 17 and name ha ) 2.70 0.90 0.90
 assign ( resid 18 and name hn ) ( resid 18 and name ha ) 2.70 0.90 0.90
 assign ( resid 19 and name hn ) ( resid 19 and name ha ) 3.40 1.60 1.60
 assign ( resid 2 and name hn ) ( resid 2 and name ha ) 2.70 0.90 0.90  
 assign ( resid 2 and name hn ) ( resid 2 and name hb ) 3.40 1.60 1.60  
 assign ( resid 20 and name hn ) ( resid 20 and name ha ) 3.40 1.60 1.60
 assign ( resid 21 and name hn ) ( resid 21 and name ha ) 3.40 1.60 1.60
 assign ( resid 22 and name hn ) ( resid 22 and name ha ) 3.40 1.60 1.60
 assign ( resid 23 and name hn ) ( resid 23 and name ha ) 2.70 0.90 0.90
 assign ( resid 24 and name hn ) ( resid 24 and name ha ) 3.40 1.60 1.60
 assign ( resid 25 and name hn ) ( resid 25 and name ha ) 3.40 1.60 1.60
 assign ( resid 26 and name hn ) ( resid 26 and name ha ) 3.40 1.60 1.60   
 assign ( resid 26 and name hn ) ( resid 26 and name hb ) 3.40 1.60 1.60  
 assign ( resid 27 and name hn ) ( resid 27 and name ha ) 2.70 0.90 0.90
 assign ( resid 28 and name hn ) ( resid 28 and name ha ) 2.70 0.90 0.90
 assign ( resid 28 and name hn ) ( resid 28 and name hb ) 3.40 1.60 1.60
 assign ( resid 29 and name hn ) ( resid 29 and name ha ) 2.70 0.90 0.90
 assign ( resid 3 and name hn ) ( resid 3 and name ha ) 3.40 1.60 1.60  
 assign ( resid 30 and name hn ) ( resid 30 and name ha ) 3.40 1.60 1.60
 assign ( resid 31 and name hn ) ( resid 31 and name ha ) 2.70 0.90 0.90   
 assign ( resid 32 and name hn ) ( resid 32 and name ha ) 3.40 1.60 1.60
 assign ( resid 32 and name hn ) ( resid 32 and name hb ) 2.70 0.90 2.30
 assign ( resid 33 and name hn ) ( resid 33 and name ha )  2.70 0.90 0.9
 assign ( resid 34 and name hn ) ( resid 34 and name ha ) 2.70 0.90 0.90
 assign ( resid 35 and name hn ) ( resid 35 and name ha ) 2.70 0.90 0.90
 assign ( resid 36 and name hn ) ( resid 36 and name ha1 ) 2.70 0.90 0.9
 assign ( resid 36 and name hn ) ( resid 36 and name ha2 ) 2.70 0.90 0.9
 assign ( resid 38 and name hn ) ( resid 38 and name ha1 ) 2.70 0.90 0.9
 assign ( resid 38 and name hn ) ( resid 38 and name ha2 ) 2.70 0.90 0.9
 assign ( resid 39 and name hn ) ( resid 39 and name ha ) 2.70 0.90 0.90
 assign ( resid 4 and name hn ) ( resid 4 and name ha ) 3.40 1.60 1.60  
 assign ( resid 40 and name hd* ) ( resid 40 and name ha ) 3.40 1.60 2.10
 assign ( resid 40 and name he* ) ( resid 40 and name ha ) 4.10 1.80 2.40
 assign ( resid 40 and name hn ) ( resid 40 and name ha ) 2.70 0.90 0.90
 assign ( resid 41 and name hn ) ( resid 41 and name ha ) 2.70 0.90 0.90
 assign ( resid 41 and name hn ) ( resid 41 and name hb ) 2.70 0.90 2.30
 assign ( resid 43 and name hn ) ( resid 43 and name ha ) 2.70 0.90 0.90
 assign ( resid 44 and name hn ) ( resid 44 and name ha1 ) 2.30 0.50 0.50
 assign ( resid 44 and name hn ) ( resid 44 and name ha2 ) 2.30 0.50 0.50
 assign ( resid 45 and name hn ) ( resid 45 and name ha ) 2.70 0.90 0.90
 assign ( resid 46 and name hn ) ( resid 46 and name ha ) 2.70 0.90 0.90
 assign ( resid 48 and name hn ) ( resid 48 and name ha1 ) 2.70 0.90 0.90
 assign ( resid 48 and name hn ) ( resid 48 and name ha2 ) 2.30 0.50 0.50
 assign ( resid 5 and name hn ) ( resid 5 and name ha ) 2.70 0.90 0.90  
 assign ( resid 50 and name hn ) ( resid 50 and name ha ) 3.40 1.60 1.60
 assign ( resid 51 and name hn ) ( resid 51 and name ha ) 3.40 1.60 1.60
 assign ( resid 52 and name hn ) ( resid 52 and name ha ) 2.70 0.90 0.90
 assign ( resid 53 and name hn ) ( resid 53 and name ha ) 2.70 0.90 0.90      
 assign ( resid 54 and name hn ) ( resid 54 and name ha ) 2.70 0.90 0.90
 assign ( resid 55 and name hn ) ( resid 55 and name ha ) 2.70 0.90 0.90
 assign ( resid 56 and name hn ) ( resid 56 and name ha ) 2.70 0.90 0.90
 assign ( resid 57 and name hn ) ( resid 57 and name ha )  2.70 0.90 0.90
 assign ( resid 58 and name hd21 ) ( resid 58 and name ha ) 4.10 1.80 1.
 assign ( resid 58 and name hn ) ( resid 58 and name ha ) 2.30 0.50 0.50
 assign ( resid 59 and name hn ) ( resid 59 and name ha ) 2.70 0.90 0.90
 assign ( resid 6 and name hn ) ( resid 6 and name ha ) 2.70 0.90 0.90  
 assign ( resid 8 and name hn ) ( resid 8 and name ha1 ) 2.70 0.90 0.90
 assign ( resid 8 and name hn ) ( resid 8 and name ha2 ) 2.30 0.50 0.50  
 assign ( resid 9 and name hn ) ( resid 9 and name ha ) 2.70 0.90 0.90
 assign ( resid 9 and name hn ) ( resid 9 and name hb ) 2.70 0.90 2.30
 assign ( resid 10 and name ha ) ( resid 11 and name hd1 ) 2.70 0.90 0.90 
 assign ( resid 10 and name ha ) ( resid 11 and name hd2 ) 2.70 0.90 0.90  
 assign ( resid 10 and name hn ) ( resid 6 and name hd2 ) 3.40 1.60 2.10  
 assign ( resid 10 and name hn ) ( resid 8 and name ha* ) 3.40 1.60 2.10   
 assign ( resid 10 and name hn ) ( resid 9 and name hg2* ) 3.40 1.60 2.10     
 assign ( resid 11 and name ha ) ( resid 12 and name hd1 ) 2.70 0.90 0.90 
 assign ( resid 11 and name ha ) ( resid 12 and name hd2 ) 2.70 0.90 0.90 
 assign ( resid 13 and name hn ) ( resid 12 and name hb* ) 4.10 1.80 2.40
 assign ( resid 13 and name hn ) ( resid 12 and name hg2 ) 4.10 1.80 1.90     
 assign ( resid 14 and name ha ) ( resid 15 and name hb1 ) 4.10 1.80 1.90  
 assign ( resid 14 and name ha ) ( resid 15 and name hb2 ) 4.10 1.80 1.90 
 assign ( resid 14 and name hn ) ( resid 13 and name hb ) 2.70 0.90 0.90          
 assign ( resid 14 and name hn ) ( resid 13 and name hg2* ) 3.40 1.60 2.10        
 assign ( resid 15 and name hn ) ( resid 14 and name hb ) 2.30 0.50 0.50    
 assign ( resid 15 and name hn ) ( resid 14 and name hg2* ) 2.70 0.90 1.40     
 assign ( resid 16 and name hn ) ( resid 15 and name hb1 ) 3.40 1.60 1.60
 assign ( resid 16 and name hn ) ( resid 15 and name hb2 ) 3.40 1.60 1.60
 assign ( resid 16 and name hn ) ( resid 15 and name hg* ) 3.40 1.60 2.10
 assign ( resid 17 and name ha ) ( resid 16 and name hg2* ) 4.10 1.80 2.40     
 assign ( resid 17 and name ha ) ( resid 18 and name ha ) 4.10 1.80 1.90 
 assign ( resid 17 and name hn ) ( resid 16 and name hb ) 2.70 0.90 0.90
 assign ( resid 17 and name hn ) ( resid 16 and name hg2* ) 2.70 0.90 1.40
 assign ( resid 18 and name ha ) ( resid 17 and name hb1 ) 4.10 1.80 1.90  
 assign ( resid 18 and name ha ) ( resid 17 and name hb2 ) 4.10 1.80 1.90 
 assign ( resid 18 and name hn ) ( resid 17 and name hb1 ) 2.70 0.90 0.90
 assign ( resid 18 and name hn ) ( resid 17 and name hb2 ) 3.40 1.60 1.60
 assign ( resid 19 and name ha ) ( resid 18 and name hb1 ) 4.10 1.80 1.90  
 assign ( resid 19 and name ha ) ( resid 18 and name hb2 ) 4.10 1.80 1.90  
 assign ( resid 19 and name ha ) ( resid 18 and name hg1 ) 3.40 1.60 1.60  
 assign ( resid 19 and name ha ) ( resid 18 and name hg2 ) 3.40 1.60 1.60  
 assign ( resid 19 and name hn ) ( resid 17 and name hb1 ) 3.40 1.60 1.60
 assign ( resid 19 and name hn ) ( resid 17 and name hb2 ) 4.10 1.80 1.90
 assign ( resid 19 and name hn ) ( resid 18 and name hb1 ) 2.70 0.90 0.90
 assign ( resid 19 and name hn ) ( resid 18 and name hb2 ) 2.70 0.90 0.90
 assign ( resid 2 and name hn ) ( resid 1 and name hb* ) 2.70 0.90 1.40   
 assign ( resid 2 and name hn ) ( resid 1 and name hd1 ) 3.40 1.60 1.60    
 assign ( resid 2 and name hn ) ( resid 1 and name hd2 ) 3.40 1.60 1.60   
 assign ( resid 2 and name hn ) ( resid 1 and name he ) 4.10 1.80 1.90   
 assign ( resid 20 and name ha ) ( resid 19 and name hb1 ) 4.10 1.80 1.90   
 assign ( resid 20 and name ha ) ( resid 19 and name hb2 ) 4.10 1.80 1.90   
 assign ( resid 20 and name hn ) ( resid 19 and name hb1 ) 2.70 0.90 0.90  
 assign ( resid 20 and name hn ) ( resid 19 and name hb2 ) 2.70 0.90 0.90  
 assign ( resid 21 and name ha ) ( resid 20 and name hb1 ) 4.10 1.80 1.90
 assign ( resid 21 and name ha ) ( resid 20 and name hb2 ) 4.10 1.80 1.90   
 assign ( resid 21 and name ha ) ( resid 22 and name ha ) 4.10 1.80 1.90
 assign ( resid 21 and name ha ) ( resid 22 and name hb2 ) 4.10 1.80 1.90
 assign ( resid 21 and name hn ) ( resid 19 and name ha ) 3.40 1.60 1.60
 assign ( resid 21 and name hn ) ( resid 19 and name hb1 ) 2.70 0.90 0.90  
 assign ( resid 21 and name hn ) ( resid 19 and name hb2 ) 3.40 1.60 1.60  
 assign ( resid 21 and name hn ) ( resid 19 and name hg* ) 3.40 1.60 2.10
 assign ( resid 21 and name hn ) ( resid 20 and name hb1 ) 4.10 1.80 1.90 
 assign ( resid 21 and name hn ) ( resid 20 and name hb2 ) 3.40 1.60 1.60 
 assign ( resid 22 and name ha ) ( resid 23 and name hb1 ) 4.10 1.80 1.90
 assign ( resid 22 and name ha ) ( resid 23 and name hb2 ) 4.10 1.80 1.90
 assign ( resid 22 and name hn ) ( resid 21 and name hb1 ) 2.70 0.90 0.90
 assign ( resid 22 and name hn ) ( resid 21 and name hb2 ) 2.70 0.90 0.90
 assign ( resid 22 and name hn ) ( resid 24 and name hn ) 4.10 1.80 1.90 
 assign ( resid 23 and name ha ) ( resid 22 and name ha ) 3.40 1.60 1.60
 assign ( resid 23 and name ha ) ( resid 22 and name hb1 ) 3.40 1.60 1.60   
 assign ( resid 23 and name ha ) ( resid 22 and name hb2 ) 3.40 1.60 1.60     
 assign ( resid 23 and name ha ) ( resid 24 and name hn ) 2.70 0.90 0.90    
 assign ( resid 23 and name ha ) ( resid 25 and name hd21 ) 3.40 1.60 1.60
 assign ( resid 23 and name ha ) ( resid 25 and name hd22 ) 3.40 1.60 1.60   
 assign ( resid 23 and name hn ) ( resid 22 and name hb1 ) 2.70 0.90 0.90     
 assign ( resid 23 and name hn ) ( resid 22 and name hb2 ) 3.40 1.60 1.60     
 assign ( resid 24 and name ha ) ( resid 25 and name ha ) 4.10 1.80 1.90   
 assign ( resid 24 and name hn ) ( resid 23 and name hb1 ) 3.40 1.60 1.60     
 assign ( resid 24 and name hn ) ( resid 23 and name hb1 ) 3.40 1.60 1.60      
 assign ( resid 24 and name hn ) ( resid 23 and name hb2 ) 3.40 1.60 1.60      
 assign ( resid 24 and name hn ) ( resid 23 and name hd1* ) 3.40 1.60 2.10
 assign ( resid 25 and name ha ) ( resid 26 and name ha ) 4.10 1.80 1.90  
 assign ( resid 25 and name ha ) ( resid 26 and name hg2* ) 4.10 1.80 2.40 
 assign ( resid 25 and name hd21 ) ( resid 23 and name hd1 ) 3.40 1.60 1.60 
 assign ( resid 25 and name hd21 ) ( resid 24 and name hb2 ) 3.40 1.60 1.60  
 assign ( resid 25 and name hd21 ) ( resid 24 and name hg2 ) 3.40 1.60 1.60  
 assign ( resid 25 and name hn ) ( resid 23 and name hd* ) 4.10 1.80 2.40       
 assign ( resid 25 and name hn ) ( resid 23 and name he* ) 3.40 1.60 2.10     
 assign ( resid 25 and name hn ) ( resid 24 and name hb2 ) 3.40 1.60 1.60
 assign ( resid 25 and name hn ) ( resid 24 and name hd* ) 3.40 1.60 2.10 
 assign ( resid 25 and name hn ) ( resid 24 and name hg1 ) 3.40 1.60 1.60
 assign ( resid 25 and name hn ) ( resid 24 and name hg2 ) 3.40 1.60 1.60
 assign ( resid 26 and name hn ) ( resid 25 and name hb1 ) 4.10 1.80 1.90  
 assign ( resid 26 and name hn ) ( resid 25 and name hb2 ) 4.10 1.80 1.90   
 assign ( resid 26 and name hn ) ( resid 27 and name he1 ) 4.10 1.80 1.90 
 assign ( resid 27 and name ha ) ( resid 26 and name ha ) 4.10 1.80 1.90 
 assign ( resid 27 and name ha ) ( resid 26 and name hd* ) 4.10 1.80 2.40       
 assign ( resid 27 and name ha ) ( resid 26 and name hg1* ) 4.10 1.80 2.40
 assign ( resid 27 and name ha ) ( resid 26 and name hg2* ) 4.10 1.80 2.40        
 assign ( resid 27 and name he1 ) ( resid 26 and name hb ) 4.10 1.80 2.40  
 assign ( resid 27 and name he1 ) ( resid 26 and name hd* ) 4.10 1.80 1.90  
 assign ( resid 27 and name he1 ) ( resid 26 and name hg1* ) 3.40 1.60 2.60  
 assign ( resid 27 and name he1 ) ( resid 26 and name hg2* ) 3.40 1.60 2.60
 assign ( resid 27 and name he1 ) ( resid 26 and name hn ) 3.40 1.60 1.60  
 assign ( resid 27 and name hn ) ( resid 26 and name hb ) 3.40 1.60 1.60   
 assign ( resid 27 and name hn ) ( resid 26 and name hd* ) 2.70 0.90 1.40   
 assign ( resid 27 and name hn ) ( resid 26 and name hg1* ) 3.40 1.60 2.10    
 assign ( resid 27 and name hn ) ( resid 26 and name hg2* ) 4.10 1.80 2.40       
 assign ( resid 28 and name hb ) ( resid 27 and name hb2 ) 3.40 1.60 1.60   
 assign ( resid 28 and name hb ) ( resid 32 and name hb ) 4.10 1.80 1.90    
 assign ( resid 28 and name hb ) ( resid 32 and name hd* ) 4.10 1.80 2.40
 assign ( resid 28 and name hn ) ( resid 27 and name hb1 ) 4.10 1.80 1.90  
 assign ( resid 28 and name hn ) ( resid 27 and name hb2 ) 4.10 1.80 1.90   
 assign ( resid 29 and name ha ) ( resid 28 and name hg2* ) 4.10 1.80 2.40 
 assign ( resid 29 and name hn ) ( resid 28 and name hb ) 3.40 1.60 1.60
 assign ( resid 29 and name hn ) ( resid 28 and name hg* ) 3.40 1.60 2.10       
 assign ( resid 3 and name ha ) ( resid 2 and name hg11 ) 4.10 1.80 1.90   
 assign ( resid 3 and name ha ) ( resid 2 and name hg2* ) 4.10 1.80 2.40
 assign ( resid 3 and name ha ) ( resid 4 and name hb1 ) 4.10 1.80 1.90 
 assign ( resid 3 and name ha ) ( resid 4 and name hb2 ) 4.10 1.80 1.90
 assign ( resid 3 and name hn ) ( resid 2 and name hb ) 4.10 1.80 1.90 
 assign ( resid 3 and name hn ) ( resid 2 and name hd* ) 4.10 1.80 2.40       
 assign ( resid 3 and name hn ) ( resid 2 and name hg11 ) 4.10 1.80 1.90
 assign ( resid 3 and name hn ) ( resid 2 and name hg12 ) 4.10 1.80 1.90
 assign ( resid 3 and name hn ) ( resid 2 and name hg2* ) 2.70 0.90 1.40     
 assign ( resid 30 and name ha ) ( resid 29 and name hb1 ) 4.10 1.80 1.90
 assign ( resid 30 and name ha ) ( resid 29 and name hb2 ) 4.10 1.80 1.90
 assign ( resid 30 and name hn ) ( resid 28 and name hg* ) 4.10 1.80 2.40     
 assign ( resid 30 and name hn ) ( resid 29 and name hb1 ) 3.40 1.60 1.60
 assign ( resid 30 and name hn ) ( resid 29 and name hb2 ) 3.40 1.60 1.60   
 assign ( resid 31 and name hn ) ( resid 29 and name ha ) 4.10 1.80 1.90    
 assign ( resid 31 and name hn ) ( resid 29 and name hn ) 4.10 1.80 1.90    
 assign ( resid 32 and name ha ) ( resid 31 and name hb1 ) 4.10 1.80 1.90  
 assign ( resid 32 and name ha ) ( resid 31 and name hb2 ) 4.10 1.80 1.90  
 assign ( resid 33 and name ha ) ( resid 34 and name ha ) 4.10 1.80 1.90  
 assign ( resid 33 and name hn ) ( resid 32 and name hb ) 2.70 0.90 0.90  
 assign ( resid 33 and name hn ) ( resid 32 and name hd* ) 3.40 1.60 2.10 
 assign ( resid 33 and name hn ) ( resid 32 and name hg11 ) 3.40 1.60 1.60
 assign ( resid 33 and name hn ) ( resid 32 and name hg12 ) 2.70 0.90 0.90 
 assign ( resid 33 and name hn ) ( resid 32 and name hg2* ) 2.70 0.90 1.40
 assign ( resid 34 and name hn ) ( resid 33 and name hb )  2.70 0.90 0.90   
 assign ( resid 34 and name hn ) ( resid 33 and name hd* ) 4.10 1.80 2.40  
 assign ( resid 34 and name hn ) ( resid 33 and name hg11 ) 4.10 1.80 1.90 
 assign ( resid 34 and name hn ) ( resid 33 and name hg12 ) 3.40 1.60 1.60   
 assign ( resid 34 and name hn ) ( resid 33 and name hg2* ) 2.70 0.90 1.40
 assign ( resid 35 and name hh* ) ( resid 33 and name hg2* ) 3.40 1.60 2.10   
 assign ( resid 35 and name hn ) ( resid 33 and name ha ) 4.10 1.80 1.90
 assign ( resid 35 and name hn ) ( resid 33 and name hb ) 4.10 1.80 1.90    
 assign ( resid 35 and name hn ) ( resid 33 and name hg2* ) 3.40 1.60 2.10              
 assign ( resid 35 and name hn ) ( resid 34 and name hb* ) 2.70 0.90 1.40      
 assign ( resid 35 and name hn ) ( resid 34 and name hd* ) 3.40 1.60 2.10
 assign ( resid 35 and name hn ) ( resid 34 and name hg1 ) 2.70 0.90 0.90       
 assign ( resid 35 and name hn ) ( resid 34 and name hg2 ) 2.70 0.90 0.90
 assign ( resid 36 and name hn ) ( resid 34 and name hg1 ) 4.10 1.80 1.90    
 assign ( resid 36 and name hn ) ( resid 34 and name hg2 ) 4.10 1.80 1.90   
 assign ( resid 36 and name hn ) ( resid 35 and name hb2 ) 3.40 1.60 1.60    
 assign ( resid 36 and name hn ) ( resid 35 and name hg1 ) 3.40 1.60 1.60
 assign ( resid 36 and name hn ) ( resid 35 and name hg2 ) 4.10 1.80 1.90   
 assign ( resid 37 and name ha ) ( resid 38 and name ha1 ) 4.10 1.80 1.90
 assign ( resid 37 and name ha ) ( resid 38 and name ha2 ) 4.10 1.80 1.90 
 assign ( resid 37 and name hn ) ( resid 37 and name ha ) 2.70 0.90 0.90      
 assign ( resid 38 and name hn ) ( resid 37 and name hb1 ) 3.40 1.60 1.60       
 assign ( resid 38 and name hn ) ( resid 37 and name hb2 ) 3.40 1.60 1.60 
 assign ( resid 39 and name hn ) ( resid 37 and name hn ) 4.10 1.80 2.90
 assign ( resid 4 and name ha ) ( resid 2 and name hg2* ) 3.40 1.60 2.10     
 assign ( resid 4 and name hn ) ( resid 3 and name hb1 ) 2.70 0.90 0.90 
 assign ( resid 4 and name hn ) ( resid 3 and name hb2 ) 3.40 1.60 1.60 
 assign ( resid 40 and name hb1 ) ( resid 43 and name ha ) 4.10 1.80 1.90
 assign ( resid 40 and name hd* ) ( resid 39 and name hb1 ) 4.10 1.80 2.40
 assign ( resid 40 and name hd* ) ( resid 41 and name hn ) 2.70 0.90 1.40
 assign ( resid 40 and name he* ) ( resid 39 and name ha ) 4.10 1.80 2.40
 assign ( resid 40 and name he* ) ( resid 39 and name hb1 ) 4.10 1.80 2.40 
 assign ( resid 40 and name he* ) ( resid 39 and name hb2 ) 4.10 1.80 2.40
 assign ( resid 40 and name he* ) ( resid 41 and name hn ) 4.10 1.80 2.40
 assign ( resid 40 and name he* ) ( resid 49 and name ha ) 4.10 1.80 2.40
 assign ( resid 40 and name hn ) ( resid 39 and name hb1 ) 2.70 0.90 0.90  
 assign ( resid 40 and name hn ) ( resid 39 and name hb2 ) 2.70 0.90 0.90  
 assign ( resid 41 and name ha ) ( resid 42 and name hd1 ) 2.70 0.90 0.90
 assign ( resid 41 and name hn ) ( resid 40 and name hb1 ) 3.40 1.60 1.60  
 assign ( resid 41 and name hn ) ( resid 40 and name hb2 ) 3.40 1.60 1.60
 assign ( resid 41 and name hn ) ( resid 40 and name hd* ) 2.70 0.90 1.40
 assign ( resid 41 and name hn ) ( resid 42 and name hd2 ) 4.10 1.80 1.90
 assign ( resid 42 and name hd1 ) ( resid 40 and name hb1 ) 3.40 1.60 1.60
 assign ( resid 42 and name hd1 ) ( resid 41 and name hb ) 2.30 0.50 0.50 
 assign ( resid 43 and name hn ) ( resid 39 and name hb2 ) 4.10 1.80 1.90
 assign ( resid 43 and name hn ) ( resid 40 and name hb2 ) 3.40 1.60 1.60
 assign ( resid 43 and name hn ) ( resid 41 and name hg2* ) 3.40 1.60 2.10  
 assign ( resid 43 and name hn ) ( resid 42 and name hb1 ) 3.40 1.60 1.60 
 assign ( resid 43 and name hn ) ( resid 42 and name hb2 ) 3.40 1.60 1.60
 assign ( resid 43 and name hn ) ( resid 47 and name hb2 ) 4.10 1.80 2.90
 assign ( resid 43 and name hn ) ( resid 47 and name hg2 ) 4.10 1.80 2.90
 assign ( resid 44 and name ha* ) ( resid 43 and name hb1 ) 3.40 1.60 2.10
 assign ( resid 44 and name ha* ) ( resid 43 and name hb2 ) 3.40 1.60 2.10
 assign ( resid 44 and name ha* ) ( resid 43 and name hg1 ) 3.40 1.60 2.10
 assign ( resid 44 and name ha* ) ( resid 43 and name hg2 ) 3.40 1.60 2.10
 assign ( resid 44 and name ha* ) ( resid 45 and name ha ) 3.40 1.60 2.10 
 assign ( resid 44 and name hn ) ( resid 43 and name hb1 ) 3.40 1.60 1.60     
 assign ( resid 44 and name hn ) ( resid 43 and name hg1 ) 3.40 1.60 1.60      
 assign ( resid 46 and name ha ) ( resid 47 and name hd1 ) 2.70 0.90 0.90  
 assign ( resid 46 and name ha ) ( resid 47 and name hd2 ) 3.40 1.60 1.60   
 assign ( resid 46 and name ha ) ( resid 47 and name hg1 ) 3.40 1.60 2.60
 assign ( resid 46 and name ha ) ( resid 47 and name hg2 ) 3.40 1.60 2.60 
 assign ( resid 46 and name hn ) ( resid 44 and name ha1 ) 4.10 1.80 1.90 
 assign ( resid 46 and name hn ) ( resid 44 and name ha2 ) 4.10 1.80 1.90 
 assign ( resid 46 and name hn ) ( resid 45 and name hb1 ) 3.40 1.60 1.60
 assign ( resid 46 and name hn ) ( resid 45 and name hb2 ) 3.40 1.60 1.60    
 assign ( resid 47 and name ha ) ( resid 49 and name hd1 ) 3.40 1.60 1.60 
 assign ( resid 47 and name ha ) ( resid 49 and name hd2 ) 3.40 1.60 1.60
 assign ( resid 48 and name hn ) ( resid 47 and name hb1 ) 2.70 0.90 0.90                
 assign ( resid 48 and name hn ) ( resid 47 and name hb2 ) 3.40 1.60 1.60                
 assign ( resid 48 and name hn ) ( resid 47 and name hg2 ) 3.40 1.60 1.60    
 assign ( resid 48 and name hn ) ( resid 49 and name hd2 ) 3.40 1.60 1.60    
 assign ( resid 5 and name hn ) ( resid 4 and name hb1 ) 3.40 1.60 1.60   
 assign ( resid 5 and name hn ) ( resid 4 and name hb2 ) 4.10 1.80 1.90
 assign ( resid 5 and name hn ) ( resid 4 and name hd* ) 3.40 1.60 2.10               
 assign ( resid 50 and name hn ) ( resid 49 and name hb1 ) 4.10 1.80 1.90    
 assign ( resid 50 and name hn ) ( resid 49 and name hb2 ) 3.40 1.60 1.60
 assign ( resid 50 and name hn ) ( resid 49 and name hg1 ) 3.40 1.60 1.60     
 assign ( resid 51 and name hn ) ( resid 50 and name hb1 ) 4.10 1.80 1.90    
 assign ( resid 51 and name hn ) ( resid 50 and name hb2 ) 4.10 1.80 1.90    
 assign ( resid 51 and name hn ) ( resid 50 and name hd* ) 3.40 1.60 2.10   
 assign ( resid 52 and name hn ) ( resid 23 and name hb1 ) 3.40 1.60 1.60
 assign ( resid 52 and name hn ) ( resid 23 and name hb2 ) 4.10 1.80 1.90       
 assign ( resid 52 and name hn ) ( resid 51 and name hb1 ) 2.70 0.90 0.90
 assign ( resid 52 and name hn ) ( resid 51 and name hb2 ) 3.40 1.60 1.60 
 assign ( resid 53 and name ha ) ( resid 54 and name ha ) 4.10 1.80 1.90  
 assign ( resid 53 and name hn ) ( resid 52 and name hb1 ) 2.70 0.90 0.90      
 assign ( resid 53 and name hn ) ( resid 52 and name hb2 ) 2.70 0.90 0.90     
 assign ( resid 54 and name hn ) ( resid 52 and name hb1 ) 2.70 0.90 0.90  
 assign ( resid 54 and name hn ) ( resid 52 and name hb2 ) 3.40 1.60 1.60  
 assign ( resid 54 and name hn ) ( resid 53 and name hb1 ) 3.40 1.60 1.60 
 assign ( resid 54 and name hn ) ( resid 53 and name hb2 ) 3.40 1.60 1.60
 assign ( resid 54 and name hn ) ( resid 53 and name hg* ) 3.40 1.60 2.10 
 assign ( resid 55 and name hn ) ( resid 54 and name hb1 ) 2.70 0.90 0.90 
 assign ( resid 55 and name hn ) ( resid 54 and name hb2 ) 2.70 0.90 0.90
 assign ( resid 55 and name hn ) ( resid 57 and name hb2 ) 4.10 1.80 1.90 
 assign ( resid 56 and name hn ) ( resid 55 and name hb1 ) 3.40 1.60 1.60 
 assign ( resid 56 and name hn ) ( resid 55 and name hb2 ) 2.70 0.90 0.90 
 assign ( resid 56 and name hn ) ( resid 58 and name hn ) 4.10 1.80 1.90
 assign ( resid 57 and name hn ) ( resid 55 and name ha ) 4.10 1.80 1.90
 assign ( resid 57 and name hn ) ( resid 56 and name hb1 ) 3.40 1.60 1.60
 assign ( resid 57 and name hn ) ( resid 56 and name hb2 ) 3.40 1.60 1.60
 assign ( resid 58 and name hd21 ) ( resid 59 and name ha ) 4.10 1.80 2.90
 assign ( resid 58 and name hd22 ) ( resid 56 and name hn ) 4.10 1.80 1.90
 assign ( resid 58 and name hn ) ( resid 56 and name ha ) 3.40 1.60 1.60
 assign ( resid 58 and name hn ) ( resid 56 and name hg2 ) 4.10 1.80 1.90
 assign ( resid 58 and name hn ) ( resid 57 and name hb1 ) 4.10 1.80 1.90
 assign ( resid 58 and name hn ) ( resid 57 and name hb2 ) 4.10 1.80 1.90
 assign ( resid 59 and name hn ) ( resid 57 and name hb2 ) 4.10 1.80 1.90
 assign ( resid 59 and name hn ) ( resid 58 and name hb1 ) 3.40 1.60 1.60
 assign ( resid 6 and name ha ) ( resid 7 and name hd* ) 3.40 1.60 2.10 
 assign ( resid 6 and name hn ) ( resid 4 and name ha ) 3.40 1.60 1.60       
 assign ( resid 6 and name hn ) ( resid 4 and name hb1 ) 3.40 1.60 1.60  
 assign ( resid 6 and name hn ) ( resid 4 and name hb2 ) 3.40 1.60 1.60  
 assign ( resid 7 and name hn ) ( resid 6 and name hb1 ) 3.40 1.60 1.60   
 assign ( resid 7 and name hn ) ( resid 6 and name hb2 ) 2.70 0.90 0.90   
 assign ( resid 8 and name hn ) ( resid 7 and name hb1 ) 3.40 1.60 1.60
 assign ( resid 8 and name hn ) ( resid 7 and name hb2 ) 3.40 1.60 1.60 
 assign ( resid 8 and name hn ) ( resid 7 and name hd* ) 3.40 1.60 2.10
 assign ( resid 8 and name hn ) ( resid 7 and name hg* ) 4.10 1.80 2.10 
 assign ( resid 1 and name he ) ( resid 20 and name hb1 ) 2.70 0.90 0.90  
 assign ( resid 1 and name he ) ( resid 20 and name hb2 ) 2.70 0.90 0.90  
 assign ( resid 1 and name he ) ( resid 54 and name hb1 ) 3.40 1.60 1.60 
 assign ( resid 1 and name he ) ( resid 54 and name hb2 ) 3.40 1.60 1.60 
 assign ( resid 1 and name he ) ( resid 55 and name hb1 ) 3.40 1.60 1.60   
 assign ( resid 13 and name hn ) ( resid 5 and name hd22 ) 4.10 1.80 1.90
 assign ( resid 13 and name hn ) ( resid 5 and name hn ) 4.10 1.80 1.90
 assign ( resid 13 and name hn ) ( resid 6 and name hb1 ) 2.70 0.90 0.90 
 assign ( resid 13 and name hn ) ( resid 6 and name hb2 ) 2.70 0.90 0.90
 assign ( resid 13 and name hn ) ( resid 6 and name hn ) 3.40 1.60 1.60
 assign ( resid 13 and name hn ) ( resid 6 and name ha ) 3.40 1.60 1.60
 assign ( resid 14 and name hn ) ( resid 4 and name hd* ) 3.40 1.60 2.10
 assign ( resid 15 and name hn ) ( resid 2 and name hg2* ) 2.70 0.90 1.40   
 assign ( resid 15 and name hn ) ( resid 3 and name hn ) 3.40 1.60 1.60  
 assign ( resid 15 and name hn ) ( resid 4 and name ha ) 2.70 0.90 0.90
 assign ( resid 15 and name hn ) ( resid 4 and name hn ) 4.10 1.80 1.90   
 assign ( resid 17 and name hn ) ( resid 2 and name hd* ) 4.10 1.80 2.40
 assign ( resid 17 and name hn ) ( resid 2 and name hn ) 4.10 1.80 1.90
 assign ( resid 17 and name hn ) ( resid 2 and name ha ) 2.70 0.90 0.90
 assign ( resid 17 and name hn ) ( resid 2 and name hg11 ) 4.10 1.80 1.90
 assign ( resid 17 and name hn ) ( resid 3 and name hn ) 4.10 1.80 1.90
 assign ( resid 2 and name hn ) ( resid 55 and name hb2 ) 4.10 1.80 1.90
 assign ( resid 22 and name hn ) ( resid 52 and name hn ) 2.70 0.90 0.90   
 assign ( resid 22 and name hn ) ( resid 53 and name ha ) 2.70 0.90 0.90      
 assign ( resid 23 and name hn ) ( resid 38 and name hn ) 4.10 1.80 1.90
 assign ( resid 23 and name hn ) ( resid 37 and name ha ) 3.40 1.60 1.60
 assign ( resid 24 and name hn ) ( resid 50 and name hb1 ) 4.10 1.80 1.90
 assign ( resid 24 and name hn ) ( resid 50 and name hb2 ) 3.40 1.60 1.60
 assign ( resid 24 and name hn ) ( resid 50 and name hd1* ) 4.10 1.80 2.40
 assign ( resid 24 and name hn ) ( resid 50 and name hn ) 2.70 0.90 0.90
 assign ( resid 24 and name hn ) ( resid 51 and name ha ) 2.70 0.90 0.90 
 assign ( resid 25 and name hn ) ( resid 33 and name hg2* ) 3.40 1.60 2.10      
 assign ( resid 25 and name hn ) ( resid 34 and name hb* ) 4.10 1.80 2.40
 assign ( resid 25 and name hn ) ( resid 34 and name hg1 ) 4.10 1.80 1.90 
 assign ( resid 25 and name hn ) ( resid 34 and name hn ) 3.40 1.60 1.60
 assign ( resid 25 and name hn ) ( resid 35 and name ha ) 4.10 1.80 1.90   
 assign ( resid 26 and name hn ) ( resid 49 and name ha ) 3.40 1.60 1.60   
 assign ( resid 27 and name he1 ) ( resid 47 and name hb1 ) 3.40 1.60 1.60
 assign ( resid 27 and name he1 ) ( resid 47 and name hb2 ) 3.40 1.60 1.60
 assign ( resid 27 and name he1 ) ( resid 47 and name hg2 ) 4.10 1.80 1.90
 assign ( resid 27 and name he1 ) ( resid 47 and name hd2 ) 4.10 1.80 1.90  
 assign ( resid 27 and name he1 ) ( resid 49 and name hb2 ) 4.10 1.80 1.90
 assign ( resid 27 and name he1 ) ( resid 47 and name hg1 ) 4.10 1.80 1.90
 assign ( resid 3 and name hn ) ( resid 14 and name hb ) 4.10 1.80 1.90    
 assign ( resid 3 and name hn ) ( resid 15 and name hn ) 3.40 1.60 1.60
 assign ( resid 3 and name hn ) ( resid 16 and name ha ) 2.30 0.50 0.50
 assign ( resid 3 and name hn ) ( resid 22 and name ha ) 4.10 1.80 1.90    
 assign ( resid 33 and name hn ) ( resid 8 and name hn ) 3.40 1.60 1.60  
 assign ( resid 35 and name hh* ) ( resid 59 and name hb2 ) 4.10 1.80 1.90  
 assign ( resid 35 and name hh* ) ( resid 59 and name hd2* ) 4.10 1.80 2.40  
 assign ( resid 35 and name hn ) ( resid 24 and name hb1 ) 4.10 1.80 1.90
 assign ( resid 35 and name hh* ) ( resid 59 and name hn ) 4.10 1.80 2.40
 assign ( resid 36 and name hn ) ( resid 24 and name ha ) 4.10 1.80 1.90   
 assign ( resid 37 and name hn ) ( resid 19 and name hb2 ) 4.10 1.80 1.90
 assign ( resid 37 and name hn ) ( resid 23 and name he* ) 3.40 1.60 2.10      
 assign ( resid 37 and name hn ) ( resid 23 and name hd* ) 4.10 1.80 2.40
 assign ( resid 38 and name hn ) ( resid 19 and name hb1 ) 3.40 1.60 1.60   
 assign ( resid 38 and name hn ) ( resid 19 and name hb2 ) 3.40 1.60 1.60
 assign ( resid 38 and name hn ) ( resid 19 and name hn ) 4.10 1.80 1.90
 assign ( resid 38 and name hn ) ( resid 19 and name hg* ) 4.10 1.80 2.40
 assign ( resid 38 and name hn ) ( resid 19 and name ha ) 4.10 1.80 1.90
 assign ( resid 38 and name hn ) ( resid 21 and name hn ) 3.40 1.60 1.60
 assign ( resid 38 and name hn ) ( resid 21 and name hb1 ) 4.10 1.80 1.90
 assign ( resid 38 and name hn ) ( resid 21 and name ha ) 3.40 1.60 1.60
 assign ( resid 38 and name hn ) ( resid 22 and name hb2 ) 4.10 1.80 1.90
 assign ( resid 38 and name hn ) ( resid 22 and name hb1 ) 3.40 1.60 1.60
 assign ( resid 38 and name hn ) ( resid 22 and name ha ) 2.70 0.90 0.90   
 assign ( resid 38 and name hn ) ( resid 23 and name hn ) 2.70 0.90 0.90
 assign ( resid 38 and name hn ) ( resid 23 and name hd* ) 3.40 1.60 2.10
 assign ( resid 38 and name hn ) ( resid 51 and name ha ) 3.40 1.60 1.60  
 assign ( resid 39 and name hn ) ( resid 19 and name hb2 ) 3.40 1.60 1.60
 assign ( resid 39 and name hn ) ( resid 19 and name hb1 ) 3.40 1.60 1.60
 assign ( resid 39 and name hn ) ( resid 19 and name hg* ) 4.10 1.80 2.40
 assign ( resid 39 and name hn ) ( resid 21 and name hn ) 4.10 1.80 1.90
 assign ( resid 39 and name hn ) ( resid 21 and name hb2 ) 4.10 1.80 1.90
 assign ( resid 39 and name hn ) ( resid 21 and name hb1 ) 3.40 1.60 1.60
 assign ( resid 39 and name hn ) ( resid 23 and name hb1 ) 3.40 1.60 1.60
 assign ( resid 39 and name hn ) ( resid 51 and name hb1 ) 4.10 1.80 1.90
 assign ( resid 4 and name hn ) ( resid 14 and name hg2* ) 4.10 1.80 2.40  
 assign ( resid 4 and name hn ) ( resid 58 and name hd21 ) 2.70 0.90 0.90        
 assign ( resid 4 and name hn ) ( resid 35 and name hb* ) 4.10 1.80 2.40
 assign ( resid 4 and name hn ) ( resid 56 and name ha ) 2.70 0.90 0.90 
 assign ( resid 40 and name hn ) ( resid 49 and name hd1 ) 4.10 1.80 2.90
 assign ( resid 40 and name hn ) ( resid 25 and name hb2 ) 4.10 1.80 2.40 
 assign ( resid 40 and name hn ) ( resid 51 and name ha ) 4.10 1.80 1.90
 assign ( resid 40 and name hn ) ( resid 49 and name hb1 ) 4.10 1.80 1.90
 assign ( resid 40 and name hn ) ( resid 49 and name hb2 ) 3.40 1.60 1.60   
 assign ( resid 40 and name hn ) ( resid 49 and name hg2 ) 2.70 0.90 1.90
 assign ( resid 40 and name he* ) ( resid 49 and name hg2 ) 3.40 1.60 2.10 
 assign ( resid 40 and name he* ) ( resid 49 and name hb2 ) 3.40 1.60 2.10 
 assign ( resid 40 and name he* ) ( resid 49 and name hg1 ) 3.40 1.60 2.10 
 assign ( resid 40 and name he* ) ( resid 49 and name hb1 ) 3.40 1.60 2.10 
 assign ( resid 40 and name he* ) ( resid 49 and name hd2 ) 2.70 0.90 1.40 
 assign ( resid 40 and name he* ) ( resid 49 and name hd1 ) 3.40 1.60 2.10 
 assign ( resid 40 and name he* ) ( resid 25 and name hb1 ) 3.40 1.60 2.10
 assign ( resid 40 and name he* ) ( resid 25 and name hb2 ) 4.10 1.80 2.40
 assign ( resid 40 and name he* ) ( resid 23 and name hb1 ) 4.10 1.80 2.40
 assign ( resid 40 and name hd* ) ( resid 25 and name hb2 ) 3.40 1.60 2.10
 assign ( resid 40 and name hd* ) ( resid 25 and name hb1 ) 4.10 1.80 2.40
 assign ( resid 40 and name hd* ) ( resid 23 and name hb1 ) 3.40 1.60 2.10
 assign ( resid 40 and name hd* ) ( resid 25 and name hn ) 4.10 1.80 2.40
 assign ( resid 5 and name hd21 ) ( resid 15 and name hg2 ) 3.40 1.60 1.60
 assign ( resid 5 and name hd21 ) ( resid 34 and name hg2 ) 3.40 1.60 1.60 
 assign ( resid 5 and name hd22 ) ( resid 15 and name hg2 ) 3.40 1.60 1.60
 assign ( resid 5 and name hd22 ) ( resid 34 and name hg2 ) 3.40 1.60 1.60  
 assign ( resid 5 and name hn ) ( resid 14 and name ha ) 2.70 0.90 0.90   
 assign ( resid 50 and name hn ) ( resid 25 and name ha ) 3.40 1.60 1.60   
 assign ( resid 52 and name hn ) ( resid 23 and name ha ) 2.70 0.90 0.90
 assign ( resid 54 and name hn ) ( resid 1 and name hd1 ) 3.40 1.60 1.60 
 assign ( resid 54 and name hn ) ( resid 1 and name hd2 ) 4.10 1.80 1.90 
 assign ( resid 54 and name hn ) ( resid 21 and name ha ) 4.10 1.80 1.90 
 assign ( resid 55 and name hn ) ( resid 1 and name hd1 ) 4.10 1.80 1.90 
 assign ( resid 55 and name hn ) ( resid 1 and name hd2 ) 4.10 1.80 1.90
 assign ( resid 56 and name hn ) ( resid 1 and name hd2 ) 4.10 1.80 1.90
 assign ( resid 56 and name hn ) ( resid 2 and name hb ) 2.70 0.90 0.90  
 assign ( resid 56 and name hn ) ( resid 2 and name hg2* ) 3.40 1.60 2.10
 assign ( resid 56 and name hn ) ( resid 2 and name hn ) 3.40 1.60 1.60
 assign ( resid 56 and name hn ) ( resid 3 and name ha ) 3.40 1.60 1.60
 assign ( resid 58 and name hd21 ) ( resid 23 and name hn ) 2.70 0.90 0.60
 assign ( resid 58 and name hd21 ) ( resid 23 and name ha ) 3.40 1.60 1.60
 assign ( resid 58 and name hd21 ) ( resid 23 and name hd* ) 3.40 1.60 2.10
 assign ( resid 58 and name hd21 ) ( resid 23 and name he* ) 4.10 1.80 2.40
 assign ( resid 58 and name hd21 ) ( resid 4 and name hn ) 3.40 1.60 1.10 
 assign ( resid 58 and name hd21 ) ( resid 4 and name hb2 ) 4.10 1.80 1.90
 assign ( resid 58 and name hd21 ) ( resid 3 and name ha ) 4.10 1.80 1.90
 assign ( resid 58 and name hd21 ) ( resid 36 and name hn ) 2.70 0.90 0.90
 assign ( resid 58 and name hd21 ) ( resid 35 and name hg1 ) 3.40 1.60 1.60
 assign ( resid 58 and name hd21 ) ( resid 24 and name he* ) 3.40 1.60 2.10
 assign ( resid 58 and name hd21 ) ( resid 24 and name hg2 ) 4.10 1.80 1.90
 assign ( resid 58 and name hd21 ) ( resid 24 and name hg1 ) 3.40 1.60 1.60
 assign ( resid 58 and name hd22 ) ( resid 23 and name hn ) 3.40 1.60 1.10   
 assign ( resid 58 and name hd22 ) ( resid 23 and name ha ) 4.10 1.80 1.90 
 assign ( resid 58 and name hd22 ) ( resid 23 and name hd* ) 4.10 1.80 2.40
 assign ( resid 58 and name hd22 ) ( resid 36 and name hn ) 3.40 1.60 1.60 
 assign ( resid 58 and name hd22 ) ( resid 4 and name hn ) 2.70 0.90 0.60    
 assign ( resid 58 and name hd22 ) ( resid 4 and name hb2 ) 4.10 1.80 1.90
 assign ( resid 58 and name hd22 ) ( resid 3 and name ha ) 4.10 1.80 1.90
 assign ( resid 34 and name hn ) ( resid 24 and name ha ) 4.10 1.80 1.90 
 assign ( resid 34 and name hn ) ( resid 26 and name ha ) 3.40 1.60 1.60 
 assign ( resid 34 and name hn ) ( resid 24 and name hb2 ) 4.10 1.80 1.90
 assign ( resid 34 and name hn ) ( resid 25 and name ha ) 4.10 1.80 1.90
 assign ( resid 34 and name hn ) ( resid 25 and name hb2 ) 3.40 1.60 1.60 
 assign ( resid 34 and name hn ) ( resid 25 and name hd21 ) 4.10 1.80 1.90
 assign ( resid 34 and name hn ) ( resid 25 and name hd22 ) 3.40 1.60 2.10
 assign ( resid 58 and name hn ) ( resid 35 and name hb2 ) 4.10 1.80 1.90
 assign ( resid 58 and name hn ) ( resid 35 and name hg* ) 4.10 1.80 2.40
 assign ( resid 58 and name hn ) ( resid 24 and name hd* ) 4.10 1.80 2.40
 assign ( resid 58 and name hn ) ( resid 24 and name hb2 ) 4.10 1.80 1.90
 assign ( resid 58 and name hn ) ( resid 24 and name he* ) 4.10 1.80 2.40 
 assign ( resid 58 and name hn ) ( resid 4 and name hb2 ) 4.10 1.80 2.40
 assign ( resid 58 and name hn ) ( resid 4 and name he* ) 4.10 1.80 2.40
 assign ( resid 58 and name hn ) ( resid 4 and name hd* ) 3.40 1.60 2.10
 assign ( resid 59 and name hn ) ( resid 4 and name he* ) 3.40 1.60 2.10
 assign ( resid 6 and name hn ) ( resid 12 and name ha ) 4.10 1.80 1.90
 assign ( resid 6 and name hn ) ( resid 13 and name hn ) 3.40 1.60 1.60
 assign ( resid 6 and name hn ) ( resid 13 and name hg2* ) 3.40 1.60 2.10
 assign ( resid 6 and name hn ) ( resid 35 and name hb1 ) 3.40 1.60 1.60
 assign ( resid 6 and name hn ) ( resid 35 and name hb2 ) 4.10 1.80 1.90
 assign ( resid 6 and name hn ) ( resid 35 and name hg* ) 4.10 1.80 2.40
 assign ( resid 6 and name hn ) ( resid 59 and name hd2* ) 4.10 1.80 2.40
 assign ( resid 8 and name hn ) ( resid 33 and name ha ) 3.40 1.60 1.60
 assign ( resid 8 and name hn ) ( resid 33 and name hb ) 3.40 1.60 1.60
 assign ( resid 8 and name hn ) ( resid 33 and name hd* ) 3.40 1.60 2.10
 assign ( resid 8 and name hn ) ( resid 33 and name hg11 ) 3.40 1.60 1.60
 assign ( resid 8 and name hn ) ( resid 33 and name hg12 ) 2.70 0.90 0.90
 assign ( resid 8 and name hn ) ( resid 33 and name hg2* ) 3.40 1.60 2.10
 assign ( resid 8 and name hn ) ( resid 33 and name hn ) 3.40 1.60 1.60
 assign ( resid 8 and name hn ) ( resid 34 and name ha ) 4.10 1.80 1.90
 assign ( resid 8 and name hn ) ( resid 34 and name hb* ) 4.10 1.80 2.40 
 assign ( resid 8 and name hn ) ( resid 34 and name hg1 ) 4.10 1.80 1.90
 assign ( resid 8 and name hn ) ( resid 34 and name hg2 ) 4.10 1.80 1.90
 assign ( resid 8 and name hn ) ( resid 34 and name hd* ) 4.10 1.80 2.40
 assign ( resid 8 and name ha* ) ( resid 33 and name ha ) 3.40 1.60 1.60
 assign ( resid 8 and name ha* ) ( resid 33 and name hb ) 2.70 0.90 0.90
 assign ( resid 8 and name ha* ) ( resid 33 and name hd* ) 3.40 1.60 2.10
 assign ( resid 8 and name ha* ) ( resid 33 and name hg12 ) 2.70 0.90 0.90
 assign ( resid 8 and name ha* ) ( resid 33 and name hg2* ) 3.40 1.60 2.10
 assign ( resid 14 and name ha ) ( resid 4 and name hb1 ) 3.40 1.60 1.60 
 assign ( resid 14 and name ha ) ( resid 4 and name hb2 ) 4.10 1.80 1.90 
 assign ( resid 17 and name ha ) ( resid 37 and name hb1 ) 4.10 1.80 1.90    
 assign ( resid 17 and name ha ) ( resid 37 and name hb2 ) 4.10 1.80 1.90     
 assign ( resid 17 and name hb1 ) ( resid 37 and name ha ) 4.10 1.80 1.90    
 assign ( resid 17 and name hb1 ) ( resid 37 and name hb1 ) 3.40 1.60 1.60    
 assign ( resid 17 and name hb1 ) ( resid 37 and name hb2 ) 3.40 1.60 1.60    
 assign ( resid 17 and name hb2 ) ( resid 37 and name ha ) 4.10 1.80 1.90   
 assign ( resid 17 and name hb2 ) ( resid 37 and name hb1 ) 3.40 1.60 1.60    
 assign ( resid 17 and name hb2 ) ( resid 37 and name hb2 ) 3.40 1.60 1.60     
 assign ( resid 18 and name he22 ) ( resid 1 and name ha ) 3.40 1.60 1.60   
 assign ( resid 2 and name ha ) ( resid 16 and name ha ) 2.70 0.90 0.90
 assign ( resid 2 and name hg12 ) ( resid 16 and name hg2* ) 3.40 1.60 2.10  
 assign ( resid 21 and name ha ) ( resid 53 and name ha ) 2.30 0.50 0.50  
 assign ( resid 21 and name ha ) ( resid 53 and name hb1 ) 2.70 0.90 0.90  
 assign ( resid 21 and name ha ) ( resid 53 and name hb2 ) 3.40 1.60 1.60  
 assign ( resid 21 and name ha ) ( resid 53 and name hg* ) 2.70 0.90 0.90 
 assign ( resid 21 and name hb1 ) ( resid 53 and name hb1 ) 3.40 1.60 1.60 
 assign ( resid 21 and name hb1 ) ( resid 53 and name hg* ) 3.40 1.60 2.10 
 assign ( resid 21 and name hb2 ) ( resid 53 and name hg* ) 3.40 1.60 2.10
 assign ( resid 21 and name hb1 ) ( resid 39 and name hb2 ) 4.10 1.80 1.90 
 assign ( resid 22 and name ha ) ( resid 37 and name ha ) 2.70 0.90 0.90
 assign ( resid 22 and name ha ) ( resid 37 and name hb1 ) 4.10 1.80 1.90
 assign ( resid 22 and name ha ) ( resid 37 and name hb2 ) 4.10 1.80 1.90  
 assign ( resid 22 and name ha ) ( resid 38 and name ha1 ) 4.10 1.80 1.90  
 assign ( resid 23 and name ha ) ( resid 51 and name ha ) 2.30 0.50 0.50
 assign ( resid 23 and name ha ) ( resid 51 and name hb1 ) 4.10 1.80 1.90
 assign ( resid 23 and name ha ) ( resid 51 and name hb2 ) 3.40 1.60 1.60
 assign ( resid 24 and name ha ) ( resid 33 and name hg2* ) 3.40 1.60 2.10
 assign ( resid 24 and name ha ) ( resid 35 and name ha ) 4.10 1.80 1.90  
 assign ( resid 24 and name ha ) ( resid 35 and name hb1 ) 4.10 1.80 1.90 
 assign ( resid 24 and name ha ) ( resid 35 and name hb2 ) 3.40 1.60 1.60 
 assign ( resid 24 and name ha ) ( resid 35 and name hg1 ) 4.10 1.80 1.90
 assign ( resid 24 and name ha ) ( resid 35 and name hg2 ) 3.40 1.60 1.60
 assign ( resid 24 and name ha ) ( resid 50 and name hb1 ) 4.10 1.80 1.90
 assign ( resid 25 and name ha ) ( resid 49 and name ha ) 2.70 0.90 0.90   
 assign ( resid 25 and name ha ) ( resid 49 and name hb1 ) 4.10 1.80 1.90   
 assign ( resid 25 and name ha ) ( resid 49 and name hb2 ) 3.40 1.60 1.60   
 assign ( resid 26 and name ha ) ( resid 33 and name ha ) 2.70 0.90 0.90
 assign ( resid 26 and name ha ) ( resid 33 and name hg2* ) 3.40 1.60 2.10
 assign ( resid 3 and name ha ) ( resid 14 and name hg2* ) 4.10 1.80 2.40  
 assign ( resid 3 and name ha ) ( resid 14 and name hb ) 3.40 1.60 1.60
 assign ( resid 3 and name ha ) ( resid 22 and name hb1 ) 4.10 1.80 1.90    
 assign ( resid 3 and name ha ) ( resid 22 and name hb2 ) 4.10 1.80 1.90     
 assign ( resid 3 and name ha ) ( resid 56 and name ha ) 2.70 0.90 0.90
 assign ( resid 3 and name ha ) ( resid 56 and name hg2 ) 4.10 1.80 1.90
 assign ( resid 3 and name ha ) ( resid 56 and name hg2 ) 4.10 1.80 1.90
 assign ( resid 3 and name hb1 ) ( resid 22 and name ha ) 4.10 1.80 1.90    
 assign ( resid 3 and name hb1 ) ( resid 22 and name hb1 ) 3.40 1.60 1.60
 assign ( resid 3 and name hb1 ) ( resid 22 and name hb2 ) 4.10 1.80 1.90
 assign ( resid 3 and name hb2 ) ( resid 22 and name ha ) 4.10 1.80 1.90  
 assign ( resid 3 and name hb2 ) ( resid 22 and name hb1 ) 3.40 1.60 1.60    
 assign ( resid 3 and name hb2 ) ( resid 22 and name hb2 ) 3.40 1.60 1.60     
 assign ( resid 33 and name ha ) ( resid 26 and name hb ) 4.10 1.80 1.90 
 assign ( resid 33 and name ha ) ( resid 26 and name hd* ) 4.10 1.80 2.40
 assign ( resid 33 and name ha ) ( resid 26 and name hg1* ) 4.10 1.80 1.90
 assign ( resid 37 and name ha ) ( resid 22 and name hb1 ) 3.40 1.60 1.60     
 assign ( resid 37 and name ha ) ( resid 22 and name hb2 ) 4.10 1.80 1.90   
 assign ( resid 37 and name ha ) ( resid 3 and name ha ) 4.10 1.80 1.90
 assign ( resid 39 and name ha ) ( resid 51 and name hb1 ) 4.10 1.80 1.90    
 assign ( resid 39 and name ha ) ( resid 51 and name hb2 ) 4.10 1.80 1.90    
 assign ( resid 39 and name hb1 ) ( resid 51 and name ha ) 4.10 1.80 1.90    
 assign ( resid 39 and name hb1 ) ( resid 51 and name hb1 ) 3.40 1.60 1.60   
 assign ( resid 39 and name hb1 ) ( resid 51 and name hb2 ) 3.40 1.60 1.60   
 assign ( resid 39 and name hb2 ) ( resid 51 and name ha ) 4.10 1.80 1.90    
 assign ( resid 39 and name hb2 ) ( resid 51 and name hb1 ) 4.10 1.80 1.90   
 assign ( resid 39 and name hb2 ) ( resid 51 and name hb2 ) 4.10 1.80 1.90   
 assign ( resid 4 and name ha ) ( resid 14 and name ha ) 2.70 0.90 0.90
 assign ( resid 4 and name ha ) ( resid 14 and name hb ) 3.40 1.60 1.60     
 assign ( resid 4 and name ha ) ( resid 14 and name hg2* ) 2.70 0.90 1.40     
 assign ( resid 49 and name ha ) ( resid 25 and name hb1 ) 4.10 1.80 1.90 
 assign ( resid 49 and name ha ) ( resid 25 and name hb2 ) 4.10 1.80 1.90  
 assign ( resid 51 and name ha ) ( resid 23 and name hb1 ) 3.40 1.60 1.60  
 assign ( resid 51 and name ha ) ( resid 23 and name hb2 ) 4.10 1.80 1.90  
 assign ( resid 52 and name ha ) ( resid 57 and name hb1 ) 4.10 1.80 1.90    
 assign ( resid 52 and name ha ) ( resid 57 and name hb2 ) 4.10 1.80 1.90    
 assign ( resid 52 and name hb1 ) ( resid 57 and name ha ) 4.10 1.80 1.90    
 assign ( resid 52 and name hb1 ) ( resid 57 and name hb1 ) 3.40 1.60 1.60   
 assign ( resid 52 and name hb1 ) ( resid 57 and name hb2 ) 3.40 1.60 1.60   
 assign ( resid 52 and name hb2 ) ( resid 57 and name ha ) 4.10 1.80 1.90
 assign ( resid 52 and name hb2 ) ( resid 57 and name hb1 ) 4.10 1.80 1.90   
 assign ( resid 52 and name hb2 ) ( resid 57 and name hb2 ) 3.40 1.60 1.60   
 assign ( resid 53 and name ha ) ( resid 21 and name ha ) 2.30 0.50 0.50   
 assign ( resid 53 and name ha ) ( resid 21 and name hb1 ) 3.40 1.60 1.60  
 assign ( resid 53 and name ha ) ( resid 21 and name hb2 ) 3.40 1.60 1.60  
 assign ( resid 55 and name ha ) ( resid 1 and name hb* ) 3.40 1.60 2.10
 assign ( resid 55 and name ha ) ( resid 1 and name hg* ) 4.10 1.80 2.40
 assign ( resid 55 and name ha ) ( resid 2 and name hb ) 3.40 1.60 1.60 
 assign ( resid 56 and name ha ) ( resid 3 and name hb2 ) 4.10 1.80 1.90
 assign ( resid 6 and name ha ) ( resid 12 and name ha ) 3.40 1.60 1.60 
 assign ( resid 6 and name ha ) ( resid 12 and name hb* ) 3.40 1.60 2.10
 assign ( resid 6 and name ha ) ( resid 12 and name hg2 ) 4.10 1.80 1.90
 assign ( resid 8 and name ha1 ) ( resid 32 and name hb ) 3.40 1.60 1.60 
 assign ( resid 8 and name ha2 ) ( resid 32 and name hb ) 3.40 1.60 1.60
 assign (resid 3 and name sg) (resid 22 and name sg) 1.95 0.15 0.15          
 assign (resid 17 and name sg) (resid 37 and name sg) 1.95 0.15 0.15         
 assign (resid 39 and name sg) (resid 51 and name sg) 1.95 0.15 0.15         
 assign (resid 52 and name sg) (resid 57 and name sg) 1.95 0.15 0.15         
 assign ( resid 15 and name hn ) ( resid 3 and name o ) 2.0 0.5 0.5  
 assign ( resid 17 and name hn ) ( resid 1 and name o ) 2.0 0.5 0.5  
 assign ( resid 2 and name hn ) ( resid 55 and name od2 ) 2.0 0.5 0.5
 assign ( resid 22 and name hn ) ( resid 52 and name o ) 2.0 0.5 0.5 
 assign ( resid 23 and name hn ) ( resid 36 and name o ) 2.0 0.5 0.5 
 assign ( resid 24 and name hn ) ( resid 50 and name o ) 2.0 0.5 0.5 
 assign ( resid 25 and name hn ) ( resid 34 and name o ) 2.0 0.5 0.5 
 assign ( resid 3 and name hn ) ( resid 15 and name o ) 2.0 0.5 0.5  
 assign ( resid 34 and name hn ) ( resid 25 and name o ) 2.0 0.5 0.5 
 assign ( resid 36 and name hn ) ( resid 23 and name o ) 2.0 0.5 0.5 
 assign ( resid 38 and name hn ) ( resid 21 and name o ) 2.0 0.5 0.5 
 assign ( resid 4 and name hn ) ( resid 58 and name od1 ) 2.0 0.5 0.5
 assign ( resid 5 and name hn ) ( resid 13 and name o ) 2.0 0.5 0.5  
 assign ( resid 52 and name hn ) ( resid 22 and name o ) 2.0 0.5 0.5 
 assign ( resid 56 and name hn ) ( resid 2 and name o ) 2.0 0.5 0.5  
 assign ( resid 57 and name hn ) ( resid 54 and name o ) 2.0 0.5 0.5 
 assign ( resid 58 and name hd21 ) ( resid 23 and name o ) 2.0 0.5 0.5
 assign ( resid 58 and name hd22 ) ( resid 4 and name o ) 2.0 0.5 0.5
 assign ( resid 59 and name hn ) ( resid 57 and name o ) 2.0 0.5 0.5 
 assign ( resid 8 and name hn ) ( resid 33 and name o ) 2.0 0.5 0.5  
 assign ( resid 35 and name hn ) ( resid 6 and name o ) 2.0 0.5 0.5

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ARG   1           1HT      ARG   1   2.853  10.742   3.593
    2    H2   ARG   1           2HT      ARG   1   1.280  10.589   4.218
    3    H3   ARG   1           3HT      ARG   1   2.330  11.770   4.838
    4    HA   ARG   1           HA       ARG   1   1.263  13.151   3.471
    5    HB2  ARG   1           2HB      ARG   1   2.615  13.557   1.651
    6    HB3  ARG   1           1HB      ARG   1   3.611  12.347   2.449
    7    HG2  ARG   1           2HG      ARG   1   1.915  10.789   0.923
    8    HG3  ARG   1           1HG      ARG   1   2.186  12.185  -0.111
    9    HD2  ARG   1           2HD      ARG   1   4.405  10.663   1.239
   10    HD3  ARG   1           1HD      ARG   1   3.844  10.292  -0.378
   11    HE   ARG   1           HE       ARG   1   5.473  11.927  -0.899
   12   HH11  ARG   1          1HH2      ARG   1   5.283  12.911   2.125
   13   HH12  ARG   1          2HH2      ARG   1   4.978  14.588   1.833
   14   HH21  ARG   1          1HH1      ARG   1   4.350  14.167  -1.540
   15   HH22  ARG   1          2HH1      ARG   1   4.449  15.296  -0.233
   16    H    ILE   2           H        ILE   2   0.535  12.758   0.634
   17    HA   ILE   2           HA       ILE   2  -1.948  11.244   1.123
   18    HB   ILE   2           HB       ILE   2  -0.965  12.811  -1.269
   19   HG12  ILE   2          2HG1      ILE   2  -3.263  13.954  -0.474
   20   HG13  ILE   2          1HG1      ILE   2  -2.756  13.235   1.057
   21   HG21  ILE   2          1HG2      ILE   2  -2.352  11.395  -2.420
   22   HG22  ILE   2          2HG2      ILE   2  -3.624  12.386  -1.707
   23   HG23  ILE   2          3HG2      ILE   2  -3.174  10.855  -0.956
   24   HD11  ILE   2          3HD1      ILE   2  -1.531  15.145   1.287
   25   HD12  ILE   2          1HD1      ILE   2  -1.575  15.491  -0.442
   26   HD13  ILE   2          2HD1      ILE   2  -0.407  14.334   0.196
   27    H    CYS   3           H        CYS   3  -1.656   9.043   1.037
   28    HA   CYS   3           HA       CYS   3  -0.199   8.094  -1.381
   29    HB2  CYS   3           2HB      CYS   3  -0.465   6.717   1.307
   30    HB3  CYS   3           1HB      CYS   3   0.239   5.965  -0.119
   31    H    TYR   4           H        TYR   4  -1.047   5.765  -2.033
   32    HA   TYR   4           HA       TYR   4  -3.928   6.110  -2.409
   33    HB2  TYR   4           2HB      TYR   4  -1.807   4.510  -3.625
   34    HB3  TYR   4           1HB      TYR   4  -3.290   3.586  -3.383
   35    HD1  TYR   4           1HD      TYR   4  -5.495   4.578  -4.218
   36    HD2  TYR   4           2HD      TYR   4  -1.650   6.134  -5.334
   37    HE1  TYR   4           1HE      TYR   4  -6.522   5.736  -6.154
   38    HE2  TYR   4           2HE      TYR   4  -2.678   7.291  -7.269
   39    HH   TYR   4           HH       TYR   4  -6.193   7.119  -7.854
   40    H    ASN   5           H        ASN   5  -5.538   4.958  -1.427
   41    HA   ASN   5           HA       ASN   5  -4.705   3.076   0.740
   42    HB2  ASN   5           2HB      ASN   5  -5.755   4.990   1.694
   43    HB3  ASN   5           1HB      ASN   5  -7.040   4.984   0.489
   44   HD21  ASN   5          1HD2      ASN   5  -5.793   2.121   2.229
   45   HD22  ASN   5          2HD2      ASN   5  -7.246   1.790   3.035
   46    H    HIS   6           H        HIS   6  -5.510   2.723  -2.263
   47    HA   HIS   6           HA       HIS   6  -7.988   1.333  -2.347
   48    HB2  HIS   6           2HB      HIS   6  -7.343   1.591  -4.490
   49    HB3  HIS   6           1HB      HIS   6  -5.647   1.653  -4.076
   50    HD1  HIS   6           1HD      HIS   6  -4.597  -0.849  -3.505
   51    HD2  HIS   6           2HD      HIS   6  -8.112  -0.751  -5.738
   52    HE1  HIS   6           1HE      HIS   6  -4.758  -3.079  -4.692
   53    H    LEU   7           H        LEU   7  -8.572  -0.666  -1.738
   54    HA   LEU   7           HA       LEU   7  -6.469  -2.408  -0.531
   55    HB2  LEU   7           2HB      LEU   7  -9.238  -1.741   0.200
   56    HB3  LEU   7           1HB      LEU   7  -8.870  -3.465   0.288
   57    HG   LEU   7           HG       LEU   7  -6.938  -3.017   1.714
   58   HD11  LEU   7          1HD1      LEU   7  -6.660  -0.623   2.554
   59   HD12  LEU   7          2HD1      LEU   7  -7.704  -0.133   1.219
   60   HD13  LEU   7          3HD1      LEU   7  -6.158  -0.917   0.889
   61   HD21  LEU   7          3HD2      LEU   7  -9.625  -1.921   2.454
   62   HD22  LEU   7          1HD2      LEU   7  -8.288  -1.690   3.580
   63   HD23  LEU   7          2HD2      LEU   7  -8.770  -3.318   3.106
   64    H    GLY   8           H        GLY   8  -5.803  -3.796  -2.132
   65    HA2  GLY   8           2HA      GLY   8  -6.000  -5.228  -4.029
   66    HA3  GLY   8           1HA      GLY   8  -6.997  -6.101  -2.871
   67    H    THR   9           H        THR   9  -9.181  -6.282  -3.289
   68    HA   THR   9           HA       THR   9 -10.128  -5.208  -5.871
   69    HB   THR   9           HB       THR   9 -10.538  -7.594  -5.201
   70    HG1  THR   9           1HG      THR   9 -12.617  -7.566  -5.965
   71   HG21  THR   9          3HG2      THR   9 -12.150  -6.200  -3.064
   72   HG22  THR   9          1HG2      THR   9 -10.930  -7.458  -2.866
   73   HG23  THR   9          2HG2      THR   9 -12.501  -7.855  -3.562
   74    H    LYS  10           H        LYS  10 -10.492  -4.576  -2.480
   75    HA   LYS  10           HA       LYS  10 -12.998  -3.377  -2.267
   76    HB2  LYS  10           2HB      LYS  10 -10.340  -2.941  -1.010
   77    HB3  LYS  10           1HB      LYS  10 -11.485  -1.616  -0.843
   78    HG2  LYS  10           2HG      LYS  10 -13.124  -3.677  -0.265
   79    HG3  LYS  10           1HG      LYS  10 -11.594  -4.374   0.269
   80    HD2  LYS  10           2HD      LYS  10 -11.306  -2.809   1.946
   81    HD3  LYS  10           1HD      LYS  10 -12.224  -1.568   1.090
   82    HE2  LYS  10           2HE      LYS  10 -14.020  -2.105   2.334
   83    HE3  LYS  10           1HE      LYS  10 -14.029  -3.691   1.564
   84    HZ1  LYS  10           3HZ      LYS  10 -12.242  -4.267   3.270
   85    HZ2  LYS  10           1HZ      LYS  10 -13.844  -4.157   3.816
   86    HZ3  LYS  10           2HZ      LYS  10 -12.759  -2.881   4.103
   87    HA   PRO  11           HA       PRO  11 -12.991   0.177  -4.824
   88    HB2  PRO  11           2HB      PRO  11 -13.885   2.198  -3.167
   89    HB3  PRO  11           1HB      PRO  11 -14.934   0.951  -3.865
   90    HG2  PRO  11           2HG      PRO  11 -13.875   1.171  -1.074
   91    HG3  PRO  11           1HG      PRO  11 -15.397   0.464  -1.646
   92    HD2  PRO  11           2HD      PRO  11 -13.153  -1.018  -0.910
   93    HD3  PRO  11           1HD      PRO  11 -14.451  -1.616  -1.962
   94    HA   PRO  12           HA       PRO  12  -8.947   1.737  -3.894
   95    HB2  PRO  12           2HB      PRO  12  -8.531   2.942  -6.334
   96    HB3  PRO  12           1HB      PRO  12  -8.342   1.204  -6.041
   97    HG2  PRO  12           2HG      PRO  12 -10.559   2.647  -7.426
   98    HG3  PRO  12           1HG      PRO  12  -9.976   0.992  -7.665
   99    HD2  PRO  12           2HD      PRO  12 -12.287   1.714  -6.227
  100    HD3  PRO  12           1HD      PRO  12 -11.470   0.138  -6.145
  101    H    THR  13           H        THR  13  -8.591   3.482  -2.654
  102    HA   THR  13           HA       THR  13  -9.434   6.150  -3.654
  103    HB   THR  13           HB       THR  13 -11.221   6.057  -2.225
  104    HG1  THR  13           1HG      THR  13 -10.360   6.566   0.024
  105   HG21  THR  13          3HG2      THR  13 -11.301   4.581  -0.223
  106   HG22  THR  13          1HG2      THR  13  -9.647   4.072  -0.561
  107   HG23  THR  13          2HG2      THR  13 -10.938   3.686  -1.698
  108    H    THR  14           H        THR  14  -8.110   7.862  -2.797
  109    HA   THR  14           HA       THR  14  -5.491   6.928  -1.866
  110    HB   THR  14           HB       THR  14  -5.059   9.492  -1.793
  111    HG1  THR  14           1HG      THR  14  -6.939  10.459  -1.962
  112   HG21  THR  14          3HG2      THR  14  -4.096   8.235  -3.549
  113   HG22  THR  14          1HG2      THR  14  -5.002   9.513  -4.360
  114   HG23  THR  14          2HG2      THR  14  -5.668   7.883  -4.268
  115    H    GLU  15           H        GLU  15  -4.492   8.114   0.063
  116    HA   GLU  15           HA       GLU  15  -6.426   8.968   2.119
  117    HB2  GLU  15           2HB      GLU  15  -6.497   6.547   2.376
  118    HB3  GLU  15           1HB      GLU  15  -4.736   6.466   2.418
  119    HG2  GLU  15           2HG      GLU  15  -5.796   6.352   4.685
  120    HG3  GLU  15           1HG      GLU  15  -4.680   7.710   4.503
  121    H    THR  16           H        THR  16  -5.470  10.617   3.218
  122    HA   THR  16           HA       THR  16  -2.655  11.199   2.794
  123    HB   THR  16           HB       THR  16  -4.003  12.613   5.007
  124    HG1  THR  16           1HG      THR  16  -5.733  13.170   3.968
  125   HG21  THR  16          3HG2      THR  16  -3.343  14.235   2.742
  126   HG22  THR  16          1HG2      THR  16  -2.040  13.075   2.997
  127   HG23  THR  16          2HG2      THR  16  -2.529  14.154   4.304
  128    H    CYS  17           H        CYS  17  -0.968  10.910   4.215
  129    HA   CYS  17           HA       CYS  17  -1.543   9.686   6.867
  130    HB2  CYS  17           2HB      CYS  17  -0.995   8.095   4.801
  131    HB3  CYS  17           1HB      CYS  17   0.654   8.563   5.202
  132    H    GLN  18           H        GLN  18   0.972   9.225   7.759
  133    HA   GLN  18           HA       GLN  18   2.154  11.938   7.755
  134    HB2  GLN  18           2HB      GLN  18   1.707  10.807   9.924
  135    HB3  GLN  18           1HB      GLN  18   2.864   9.557   9.478
  136    HG2  GLN  18           2HG      GLN  18   3.849  11.414  10.889
  137    HG3  GLN  18           1HG      GLN  18   4.665  11.149   9.355
  138   HE21  GLN  18          1HE2      GLN  18   4.175  12.685   7.566
  139   HE22  GLN  18          2HE2      GLN  18   3.573  14.234   7.904
  140    H    GLU  19           H        GLU  19   3.139   8.556   7.253
  141    HA   GLU  19           HA       GLU  19   5.875   9.203   6.710
  142    HB2  GLU  19           2HB      GLU  19   4.811   6.854   5.265
  143    HB3  GLU  19           1HB      GLU  19   6.211   6.983   6.318
  144    HG2  GLU  19           2HG      GLU  19   4.270   7.364   8.149
  145    HG3  GLU  19           1HG      GLU  19   3.394   6.342   7.009
  146    H    ASP  20           H        ASP  20   6.807  10.039   4.944
  147    HA   ASP  20           HA       ASP  20   5.175  11.018   2.779
  148    HB2  ASP  20           2HB      ASP  20   7.808  10.968   1.792
  149    HB3  ASP  20           1HB      ASP  20   6.969  12.346   2.484
  150    H    SER  21           H        SER  21   6.422   7.977   3.472
  151    HA   SER  21           HA       SER  21   6.767   7.211   0.673
  152    HB2  SER  21           2HB      SER  21   6.663   4.908   2.303
  153    HB3  SER  21           1HB      SER  21   8.099   5.667   1.631
  154    HG   SER  21           HG       SER  21   8.268   5.607   3.870
  155    H    CYS  22           H        CYS  22   5.550   5.003   0.144
  156    HA   CYS  22           HA       CYS  22   2.812   4.968   1.276
  157    HB2  CYS  22           2HB      CYS  22   3.256   5.000  -1.718
  158    HB3  CYS  22           1HB      CYS  22   1.720   5.055  -0.863
  159    H    TYR  23           H        TYR  23   2.520   2.820   1.836
  160    HA   TYR  23           HA       TYR  23   4.166   0.884   0.317
  161    HB2  TYR  23           2HB      TYR  23   4.303  -0.472   2.148
  162    HB3  TYR  23           1HB      TYR  23   4.141   1.076   2.943
  163    HD1  TYR  23           1HD      TYR  23   1.162   1.551   2.616
  164    HD2  TYR  23           2HD      TYR  23   3.387  -1.973   3.637
  165    HE1  TYR  23           1HE      TYR  23  -0.799   0.651   3.863
  166    HE2  TYR  23           2HE      TYR  23   1.436  -2.861   4.873
  167    HH   TYR  23           HH       TYR  23  -1.185  -2.455   4.696
  168    H    LYS  24           H        LYS  24   3.394  -0.609  -0.895
  169    HA   LYS  24           HA       LYS  24   0.511  -1.281  -0.845
  170    HB2  LYS  24           2HB      LYS  24   0.449   0.288  -2.560
  171    HB3  LYS  24           1HB      LYS  24   2.073  -0.086  -3.106
  172    HG2  LYS  24           2HG      LYS  24   0.840  -2.466  -3.577
  173    HG3  LYS  24           1HG      LYS  24  -0.503  -1.345  -3.813
  174    HD2  LYS  24           2HD      LYS  24   1.981  -0.382  -5.000
  175    HD3  LYS  24           1HD      LYS  24   1.461  -1.923  -5.681
  176    HE2  LYS  24           2HE      LYS  24  -0.826  -0.206  -5.362
  177    HE3  LYS  24           1HE      LYS  24   0.428   0.655  -6.255
  178    HZ1  LYS  24           3HZ      LYS  24  -0.633  -2.042  -6.904
  179    HZ2  LYS  24           1HZ      LYS  24   0.606  -1.248  -7.747
  180    HZ3  LYS  24           2HZ      LYS  24  -0.966  -0.607  -7.750
  181    H    ASN  25           H        ASN  25   0.695  -3.325  -0.273
  182    HA   ASN  25           HA       ASN  25   2.680  -5.025  -1.723
  183    HB2  ASN  25           2HB      ASN  25   2.559  -6.319   0.573
  184    HB3  ASN  25           1HB      ASN  25   3.572  -4.890   0.426
  185   HD21  ASN  25          1HD2      ASN  25   2.341  -2.747   0.948
  186   HD22  ASN  25          2HD2      ASN  25   1.283  -2.793   2.269
  187    H    ILE  26           H        ILE  26   2.080  -7.240  -2.011
  188    HA   ILE  26           HA       ILE  26  -0.803  -7.629  -2.399
  189    HB   ILE  26           HB       ILE  26  -0.178  -9.633  -3.565
  190   HG12  ILE  26          2HG1      ILE  26   2.426 -10.163  -3.461
  191   HG13  ILE  26          1HG1      ILE  26   2.295  -9.368  -1.891
  192   HG21  ILE  26          1HG2      ILE  26   0.431  -7.430  -4.635
  193   HG22  ILE  26          2HG2      ILE  26   1.409  -8.789  -5.188
  194   HG23  ILE  26          3HG2      ILE  26   2.069  -7.648  -4.018
  195   HD11  ILE  26          3HD1      ILE  26   1.844 -11.997  -2.197
  196   HD12  ILE  26          1HD1      ILE  26   0.221 -11.404  -2.550
  197   HD13  ILE  26          2HD1      ILE  26   0.979 -11.030  -1.003
  198    H    TRP  27           H        TRP  27   1.672  -8.539  -0.116
  199    HA   TRP  27           HA       TRP  27   0.207 -10.753   1.071
  200    HB2  TRP  27           2HB      TRP  27   2.253  -9.100   2.522
  201    HB3  TRP  27           1HB      TRP  27   1.933 -10.828   2.668
  202    HD1  TRP  27           HD       TRP  27   4.216  -8.459   1.040
  203    HE1  TRP  27           1HE      TRP  27   5.619  -9.632  -0.776
  204    HE3  TRP  27           3HE      TRP  27   1.636 -12.849   0.632
  205    HZ2  TRP  27           2HZ      TRP  27   5.640 -12.103  -2.215
  206    HZ3  TRP  27           3HZ      TRP  27   2.369 -14.594  -0.968
  207    HH2  TRP  27           HH       TRP  27   4.366 -14.227  -2.392
  208    H    THR  28           H        THR  28  -1.426 -10.610   2.564
  209    HA   THR  28           HA       THR  28  -1.591  -8.313   4.362
  210    HB   THR  28           HB       THR  28  -2.614  -7.581   2.144
  211    HG1  THR  28           1HG      THR  28  -4.697  -7.065   3.490
  212   HG21  THR  28          3HG2      THR  28  -4.399  -8.675   1.264
  213   HG22  THR  28          1HG2      THR  28  -5.124  -8.957   2.846
  214   HG23  THR  28          2HG2      THR  28  -3.851 -10.026   2.257
  215    H    PHE  29           H        PHE  29  -4.502  -8.762   4.766
  216    HA   PHE  29           HA       PHE  29  -4.280 -11.420   6.114
  217    HB2  PHE  29           2HB      PHE  29  -5.145  -8.810   7.043
  218    HB3  PHE  29           1HB      PHE  29  -6.416 -10.012   7.266
  219    HD1  PHE  29           1HD      PHE  29  -2.725 -10.534   7.269
  220    HD2  PHE  29           2HD      PHE  29  -6.336 -10.461   9.592
  221    HE1  PHE  29           1HE      PHE  29  -1.496 -11.477   9.207
  222    HE2  PHE  29           2HE      PHE  29  -5.108 -11.405  11.530
  223    HZ   PHE  29           HZ       PHE  29  -2.689 -11.913  11.337
  224    H    ASP  30           H        ASP  30  -7.172  -9.443   5.515
  225    HA   ASP  30           HA       ASP  30  -8.500 -11.829   4.417
  226    HB2  ASP  30           2HB      ASP  30 -10.516 -10.315   4.373
  227    HB3  ASP  30           1HB      ASP  30  -9.791 -10.505   5.969
  228    H    ASN  31           H        ASN  31  -7.711  -8.524   3.297
  229    HA   ASN  31           HA       ASN  31  -8.692  -9.121   0.605
  230    HB2  ASN  31           2HB      ASN  31  -8.219  -6.789   2.045
  231    HB3  ASN  31           1HB      ASN  31  -6.935  -6.795   0.836
  232   HD21  ASN  31          1HD2      ASN  31 -10.359  -7.939   0.698
  233   HD22  ASN  31          2HD2      ASN  31 -10.765  -7.016  -0.667
  234    H    ILE  32           H        ILE  32  -6.462  -7.678  -0.726
  235    HA   ILE  32           HA       ILE  32  -4.307  -9.725  -0.463
  236    HB   ILE  32           HB       ILE  32  -5.064  -8.670  -3.168
  237   HG12  ILE  32          2HG1      ILE  32  -7.184  -9.475  -2.216
  238   HG13  ILE  32          1HG1      ILE  32  -6.600 -10.610  -3.434
  239   HG21  ILE  32          1HG2      ILE  32  -4.256 -10.994  -3.766
  240   HG22  ILE  32          2HG2      ILE  32  -3.831 -11.207  -2.067
  241   HG23  ILE  32          3HG2      ILE  32  -3.034  -9.960  -3.025
  242   HD11  ILE  32          3HD1      ILE  32  -6.477 -12.263  -1.913
  243   HD12  ILE  32          1HD1      ILE  32  -7.243 -11.183  -0.748
  244   HD13  ILE  32          2HD1      ILE  32  -5.484 -11.266  -0.851
  245    H    ILE  33           H        ILE  33  -4.933  -6.820  -2.469
  246    HA   ILE  33           HA       ILE  33  -2.173  -5.910  -1.875
  247    HB   ILE  33           HB       ILE  33  -3.984  -4.291  -3.582
  248   HG12  ILE  33          2HG1      ILE  33  -4.635  -6.495  -4.276
  249   HG13  ILE  33          1HG1      ILE  33  -3.557  -5.841  -5.508
  250   HG21  ILE  33          1HG2      ILE  33  -1.106  -4.943  -3.332
  251   HG22  ILE  33          2HG2      ILE  33  -1.884  -3.423  -3.771
  252   HG23  ILE  33          3HG2      ILE  33  -1.694  -4.696  -4.976
  253   HD11  ILE  33          3HD1      ILE  33  -2.541  -7.888  -5.234
  254   HD12  ILE  33          1HD1      ILE  33  -3.110  -8.063  -3.573
  255   HD13  ILE  33          2HD1      ILE  33  -1.729  -7.025  -3.929
  256    H    ARG  34           H        ARG  34  -1.745  -3.954  -0.835
  257    HA   ARG  34           HA       ARG  34  -4.062  -2.311  -0.008
  258    HB2  ARG  34           2HB      ARG  34  -3.536  -4.095   1.773
  259    HB3  ARG  34           1HB      ARG  34  -2.095  -3.126   2.104
  260    HG2  ARG  34           2HG      ARG  34  -3.316  -1.306   2.837
  261    HG3  ARG  34           1HG      ARG  34  -4.723  -1.730   1.878
  262    HD2  ARG  34           2HD      ARG  34  -5.316  -3.514   3.379
  263    HD3  ARG  34           1HD      ARG  34  -3.790  -3.361   4.248
  264    HE   ARG  34           HE       ARG  34  -5.705  -1.077   4.247
  265   HH11  ARG  34          1HH1      ARG  34  -6.081  -3.600   6.071
  266   HH12  ARG  34          2HH1      ARG  34  -5.424  -2.986   7.552
  267   HH21  ARG  34          1HH2      ARG  34  -3.904  -0.251   6.056
  268   HH22  ARG  34          2HH2      ARG  34  -4.192  -1.091   7.544
  269    H    ARG  35           H        ARG  35  -3.500  -0.381  -0.691
  270    HA   ARG  35           HA       ARG  35  -0.683   0.503  -0.672
  271    HB2  ARG  35           2HB      ARG  35  -3.182   1.813  -1.783
  272    HB3  ARG  35           1HB      ARG  35  -1.555   2.457  -1.940
  273    HG2  ARG  35           2HG      ARG  35  -0.958   0.937  -3.521
  274    HG3  ARG  35           1HG      ARG  35  -1.838  -0.369  -2.736
  275    HD2  ARG  35           2HD      ARG  35  -3.967   0.902  -3.545
  276    HD3  ARG  35           1HD      ARG  35  -2.863   1.703  -4.662
  277    HE   ARG  35           HE       ARG  35  -2.881  -1.270  -4.582
  278   HH11  ARG  35          1HH2      ARG  35  -4.181   1.539  -6.026
  279   HH12  ARG  35          2HH2      ARG  35  -4.107   0.919  -7.642
  280   HH21  ARG  35          1HH1      ARG  35  -2.504  -2.017  -6.723
  281   HH22  ARG  35          2HH1      ARG  35  -3.157  -1.097  -8.037
  282    H    GLY  36           H        GLY  36   0.106   1.796   0.912
  283    HA2  GLY  36           2HA      GLY  36  -1.785   3.448   2.500
  284    HA3  GLY  36           1HA      GLY  36  -0.750   2.320   3.351
  285    H    CYS  37           H        CYS  37   0.408   3.860   4.442
  286    HA   CYS  37           HA       CYS  37   2.089   5.680   2.767
  287    HB2  CYS  37           2HB      CYS  37   2.118   7.185   4.723
  288    HB3  CYS  37           1HB      CYS  37   0.486   6.898   4.119
  289    H    GLY  38           H        GLY  38   4.108   4.806   2.699
  290    HA2  GLY  38           2HA      GLY  38   6.199   4.771   4.094
  291    HA3  GLY  38           1HA      GLY  38   5.272   3.824   5.256
  292    H    CYS  39           H        CYS  39   6.832   2.141   4.998
  293    HA   CYS  39           HA       CYS  39   6.522   0.648   2.422
  294    HB2  CYS  39           2HB      CYS  39   8.820   0.502   4.399
  295    HB3  CYS  39           1HB      CYS  39   8.674  -0.449   2.923
  296    H    PHE  40           H        PHE  40   6.758  -1.749   2.736
  297    HA   PHE  40           HA       PHE  40   4.747  -2.679   4.574
  298    HB2  PHE  40           2HB      PHE  40   6.143  -4.959   3.847
  299    HB3  PHE  40           1HB      PHE  40   4.785  -4.277   2.959
  300    HD1  PHE  40           1HD      PHE  40   5.129  -2.913   0.976
  301    HD2  PHE  40           2HD      PHE  40   8.436  -4.593   3.128
  302    HE1  PHE  40           1HE      PHE  40   6.637  -2.332  -0.907
  303    HE2  PHE  40           2HE      PHE  40   9.953  -4.026   1.248
  304    HZ   PHE  40           HZ       PHE  40   9.059  -2.889  -0.774
  305    H    THR  41           H        THR  41   5.510  -4.836   5.871
  306    HA   THR  41           HA       THR  41   7.377  -3.734   7.859
  307    HB   THR  41           HB       THR  41   5.419  -6.021   7.960
  308    HG1  THR  41           1HG      THR  41   4.303  -4.431   8.693
  309   HG21  THR  41          3HG2      THR  41   6.379  -5.726  10.517
  310   HG22  THR  41          1HG2      THR  41   7.848  -5.579   9.554
  311   HG23  THR  41          2HG2      THR  41   6.844  -7.021   9.415
  312    HA   PRO  42           HA       PRO  42   9.689  -7.724   6.912
  313    HB2  PRO  42           2HB      PRO  42   8.715  -9.439   5.001
  314    HB3  PRO  42           1HB      PRO  42   8.220  -9.491   6.703
  315    HG2  PRO  42           2HG      PRO  42   6.664  -8.610   4.354
  316    HG3  PRO  42           1HG      PRO  42   6.093  -9.039   5.974
  317    HD2  PRO  42           2HD      PRO  42   6.526  -6.402   4.865
  318    HD3  PRO  42           1HD      PRO  42   5.872  -6.809   6.460
  319    H    ARG  43           H        ARG  43  10.125  -5.330   5.526
  320    HA   ARG  43           HA       ARG  43  10.371  -5.462   2.723
  321    HB2  ARG  43           2HB      ARG  43  12.231  -3.844   2.963
  322    HB3  ARG  43           1HB      ARG  43  10.869  -3.422   3.985
  323    HG2  ARG  43           2HG      ARG  43  12.130  -4.887   5.776
  324    HG3  ARG  43           1HG      ARG  43  13.532  -4.538   4.765
  325    HD2  ARG  43           2HD      ARG  43  12.211  -2.079   5.027
  326    HD3  ARG  43           1HD      ARG  43  12.147  -2.802   6.635
  327    HE   ARG  43           HE       ARG  43  14.665  -3.071   6.424
  328   HH11  ARG  43          1HH2      ARG  43  13.438  -1.456   3.739
  329   HH12  ARG  43          2HH2      ARG  43  14.547  -0.127   3.818
  330   HH21  ARG  43          1HH1      ARG  43  15.875  -1.074   6.877
  331   HH22  ARG  43          2HH1      ARG  43  15.925   0.091   5.596
  332    H    GLY  44           H        GLY  44  11.892  -6.384   1.350
  333    HA2  GLY  44           2HA      GLY  44  14.443  -7.250   1.926
  334    HA3  GLY  44           1HA      GLY  44  13.410  -8.584   2.430
  335    H    ASP  45           H        ASP  45  14.802  -9.576   0.571
  336    HA   ASP  45           HA       ASP  45  13.781  -8.871  -2.114
  337    HB2  ASP  45           2HB      ASP  45  16.129 -10.291  -1.035
  338    HB3  ASP  45           1HB      ASP  45  15.448 -11.007  -2.496
  339    H    MET  46           H        MET  46  13.230 -11.236   0.369
  340    HA   MET  46           HA       MET  46  12.310 -13.386  -1.269
  341    HB2  MET  46           2HB      MET  46  12.409 -12.831   1.512
  342    HB3  MET  46           1HB      MET  46  10.737 -13.238   1.127
  343    HG2  MET  46           2HG      MET  46  11.801 -15.200  -0.242
  344    HG3  MET  46           1HG      MET  46  13.212 -14.907   0.775
  345    HE1  MET  46           3HE      MET  46   9.656 -17.306   1.463
  346    HE2  MET  46           1HE      MET  46  11.267 -17.875   1.008
  347    HE3  MET  46           2HE      MET  46  10.455 -16.651   0.037
  348    HA   PRO  47           HA       PRO  47   8.008 -11.372  -1.039
  349    HB2  PRO  47           2HB      PRO  47   7.766  -9.004   0.329
  350    HB3  PRO  47           1HB      PRO  47   7.618 -10.587   1.100
  351    HG2  PRO  47           2HG      PRO  47   9.847  -8.629   1.270
  352    HG3  PRO  47           1HG      PRO  47   9.394  -9.912   2.402
  353    HD2  PRO  47           2HD      PRO  47  11.510  -9.993   0.484
  354    HD3  PRO  47           1HD      PRO  47  10.935 -11.335   1.490
  355    H    GLY  48           H        GLY  48   6.976  -9.581  -2.328
  356    HA2  GLY  48           2HA      GLY  48   8.910  -7.676  -3.490
  357    HA3  GLY  48           1HA      GLY  48   8.015  -8.724  -4.580
  358    HA   PRO  49           HA       PRO  49   4.631  -5.968  -2.769
  359    HB2  PRO  49           2HB      PRO  49   5.175  -4.470  -0.541
  360    HB3  PRO  49           1HB      PRO  49   4.581  -6.134  -0.479
  361    HG2  PRO  49           2HG      PRO  49   7.306  -5.118   0.107
  362    HG3  PRO  49           1HG      PRO  49   6.520  -6.593   0.667
  363    HD2  PRO  49           2HD      PRO  49   8.446  -6.393  -1.420
  364    HD3  PRO  49           1HD      PRO  49   7.473  -7.806  -0.991
  365    H    TYR  50           H        TYR  50   4.385  -3.298  -2.221
  366    HA   TYR  50           HA       TYR  50   6.568  -2.019  -3.808
  367    HB2  TYR  50           2HB      TYR  50   4.303  -2.581  -5.001
  368    HB3  TYR  50           1HB      TYR  50   3.725  -1.145  -4.152
  369    HD1  TYR  50           1HD      TYR  50   6.844  -2.174  -5.985
  370    HD2  TYR  50           2HD      TYR  50   3.828   0.823  -5.374
  371    HE1  TYR  50           1HE      TYR  50   7.938  -0.730  -7.678
  372    HE2  TYR  50           2HE      TYR  50   4.923   2.268  -7.068
  373    HH   TYR  50           HH       TYR  50   7.570   1.098  -9.047
  374    H    CYS  51           H        CYS  51   7.521  -0.618  -2.419
  375    HA   CYS  51           HA       CYS  51   5.777   1.182  -0.741
  376    HB2  CYS  51           2HB      CYS  51   7.567  -0.094   0.505
  377    HB3  CYS  51           1HB      CYS  51   8.773   0.686  -0.517
  378    H    CYS  52           H        CYS  52   6.389   3.480  -0.887
  379    HA   CYS  52           HA       CYS  52   8.202   4.229  -3.099
  380    HB2  CYS  52           2HB      CYS  52   5.893   3.788  -4.069
  381    HB3  CYS  52           1HB      CYS  52   5.329   5.174  -3.154
  382    H    GLU  53           H        GLU  53   8.328   6.667  -3.237
  383    HA   GLU  53           HA       GLU  53   7.803   7.835  -0.555
  384    HB2  GLU  53           2HB      GLU  53  10.149   8.587  -2.278
  385    HB3  GLU  53           1HB      GLU  53   9.854   8.989  -0.582
  386    HG2  GLU  53           2HG      GLU  53  10.614   6.996   0.159
  387    HG3  GLU  53           1HG      GLU  53   9.782   6.108  -1.119
  388    H    SER  54           H        SER  54   6.038   8.027  -2.793
  389    HA   SER  54           HA       SER  54   6.062  10.989  -3.090
  390    HB2  SER  54           2HB      SER  54   4.935   9.735  -5.435
  391    HB3  SER  54           1HB      SER  54   6.229  10.923  -5.334
  392    HG   SER  54           HG       SER  54   6.340   8.196  -5.621
  393    H    ASP  55           H        ASP  55   3.841  11.826  -3.501
  394    HA   ASP  55           HA       ASP  55   1.907  10.388  -1.916
  395    HB2  ASP  55           2HB      ASP  55   1.138  12.593  -3.811
  396    HB3  ASP  55           1HB      ASP  55   0.496  12.216  -2.217
  397    H    LYS  56           H        LYS  56  -0.088   9.478  -2.637
  398    HA   LYS  56           HA       LYS  56  -1.149   7.849  -3.986
  399    HB2  LYS  56           2HB      LYS  56  -2.141   8.833  -5.934
  400    HB3  LYS  56           1HB      LYS  56  -1.981  10.131  -4.751
  401    HG2  LYS  56           2HG      LYS  56   0.027  10.951  -5.832
  402    HG3  LYS  56           1HG      LYS  56   0.050   9.572  -6.930
  403    HD2  LYS  56           2HD      LYS  56  -2.243  11.545  -6.792
  404    HD3  LYS  56           1HD      LYS  56  -0.903  11.696  -7.928
  405    HE2  LYS  56           2HE      LYS  56  -1.958  10.274  -9.313
  406    HE3  LYS  56           1HE      LYS  56  -1.811   9.013  -8.089
  407    HZ1  LYS  56           3HZ      LYS  56  -4.056   9.113  -8.253
  408    HZ2  LYS  56           1HZ      LYS  56  -4.078  10.745  -8.710
  409    HZ3  LYS  56           2HZ      LYS  56  -3.843  10.325  -7.082
  410    H    CYS  57           H        CYS  57   1.823   7.733  -3.999
  411    HA   CYS  57           HA       CYS  57   2.583   7.141  -6.760
  412    HB2  CYS  57           2HB      CYS  57   4.251   8.008  -5.183
  413    HB3  CYS  57           1HB      CYS  57   4.026   6.594  -4.152
  414    H    ASN  58           H        ASN  58   1.245   5.316  -4.094
  415    HA   ASN  58           HA       ASN  58   2.050   2.785  -5.327
  416    HB2  ASN  58           2HB      ASN  58   0.664   1.857  -3.354
  417    HB3  ASN  58           1HB      ASN  58   2.190   2.653  -2.983
  418   HD21  ASN  58          1HD2      ASN  58   0.475   2.621  -0.872
  419   HD22  ASN  58          2HD2      ASN  58  -0.310   4.116  -0.663
  420    H    LEU  59           H        LEU  59   0.430   4.246  -7.031
  421    HA   LEU  59           HA       LEU  59  -2.355   3.413  -6.701
  422    HB2  LEU  59           2HB      LEU  59  -1.729   5.527  -7.870
  423    HB3  LEU  59           1HB      LEU  59  -0.948   4.574  -9.128
  424    HG   LEU  59           HG       LEU  59  -3.388   5.373  -9.535
  425   HD11  LEU  59          1HD1      LEU  59  -3.213   3.853 -11.179
  426   HD12  LEU  59          2HD1      LEU  59  -3.605   2.559 -10.047
  427   HD13  LEU  59          3HD1      LEU  59  -1.927   3.048 -10.280
  428   HD21  LEU  59          3HD2      LEU  59  -5.130   4.292  -8.446
  429   HD22  LEU  59          1HD2      LEU  59  -3.944   4.351  -7.142
  430   HD23  LEU  59          2HD2      LEU  59  -4.155   2.869  -8.076
  Start of MODEL    2
    1    H1   ARG   1           1HT      ARG   1   3.269  12.613   4.025
    2    H2   ARG   1           2HT      ARG   1   1.657  13.103   4.236
    3    H3   ARG   1           3HT      ARG   1   2.856  14.250   3.874
    4    HA   ARG   1           HA       ARG   1   2.303  14.036   1.757
    5    HB2  ARG   1           2HB      ARG   1   4.184  12.091   2.383
    6    HB3  ARG   1           1HB      ARG   1   2.968  11.201   1.468
    7    HG2  ARG   1           2HG      ARG   1   3.154  13.418  -0.067
    8    HG3  ARG   1           1HG      ARG   1   4.790  13.373   0.585
    9    HD2  ARG   1           2HD      ARG   1   4.722  10.843  -0.082
   10    HD3  ARG   1           1HD      ARG   1   3.389  11.315  -1.124
   11    HE   ARG   1           HE       ARG   1   5.253  11.789  -2.526
   12   HH11  ARG   1          1HH2      ARG   1   4.728  14.565  -1.297
   13   HH12  ARG   1          2HH2      ARG   1   6.347  15.061  -0.938
   14   HH21  ARG   1          1HH1      ARG   1   7.680  11.878  -1.287
   15   HH22  ARG   1          2HH1      ARG   1   8.020  13.539  -0.932
   16    H    ILE   2           H        ILE   2   1.154  12.274   0.084
   17    HA   ILE   2           HA       ILE   2  -1.266  11.285   1.555
   18    HB   ILE   2           HB       ILE   2  -1.028  12.712  -1.095
   19   HG12  ILE   2          2HG1      ILE   2  -3.142  13.775   0.057
   20   HG13  ILE   2          1HG1      ILE   2  -2.459  13.045   1.509
   21   HG21  ILE   2          1HG2      ILE   2  -2.401  10.912  -1.755
   22   HG22  ILE   2          2HG2      ILE   2  -3.572  12.117  -1.218
   23   HG23  ILE   2          3HG2      ILE   2  -3.142  10.772  -0.162
   24   HD11  ILE   2          3HD1      ILE   2  -1.764  15.513   0.665
   25   HD12  ILE   2          1HD1      ILE   2  -0.570  14.558  -0.216
   26   HD13  ILE   2          2HD1      ILE   2  -0.654  14.462   1.544
   27    H    CYS   3           H        CYS   3  -1.364   9.088   1.464
   28    HA   CYS   3           HA       CYS   3  -0.393   7.857  -1.082
   29    HB2  CYS   3           2HB      CYS   3  -0.050   6.808   1.735
   30    HB3  CYS   3           1HB      CYS   3   0.278   5.853   0.295
   31    H    TYR   4           H        TYR   4  -1.390   5.558  -1.423
   32    HA   TYR   4           HA       TYR   4  -4.282   5.871  -1.132
   33    HB2  TYR   4           2HB      TYR   4  -2.525   3.763  -2.357
   34    HB3  TYR   4           1HB      TYR   4  -4.246   3.482  -2.146
   35    HD1  TYR   4           2HD      TYR   4  -5.689   5.726  -2.807
   36    HD2  TYR   4           1HD      TYR   4  -1.910   4.537  -4.462
   37    HE1  TYR   4           2HE      TYR   4  -6.165   7.050  -4.847
   38    HE2  TYR   4           1HE      TYR   4  -2.388   5.862  -6.499
   39    HH   TYR   4           HH       TYR   4  -5.455   7.046  -7.244
   40    H    ASN   5           H        ASN   5  -5.649   4.615   0.170
   41    HA   ASN   5           HA       ASN   5  -4.243   3.137   2.347
   42    HB2  ASN   5           2HB      ASN   5  -5.217   4.924   3.435
   43    HB3  ASN   5           1HB      ASN   5  -6.560   5.024   2.305
   44   HD21  ASN   5          1HD2      ASN   5  -5.409   2.152   4.103
   45   HD22  ASN   5          2HD2      ASN   5  -6.866   1.893   4.920
   46    H    HIS   6           H        HIS   6  -6.936   2.917   0.041
   47    HA   HIS   6           HA       HIS   6  -8.204   0.738   1.376
   48    HB2  HIS   6           2HB      HIS   6  -8.983   2.201  -0.720
   49    HB3  HIS   6           1HB      HIS   6  -8.494   0.733  -1.549
   50    HD1  HIS   6           1HD      HIS   6 -10.550   1.623   1.544
   51    HD2  HIS   6           2HD      HIS   6 -10.491  -1.140  -1.582
   52    HE1  HIS   6           1HE      HIS   6 -12.604   0.168   1.835
   53    H    LEU   7           H        LEU   7  -8.571  -1.385   0.159
   54    HA   LEU   7           HA       LEU   7  -5.878  -2.548  -0.282
   55    HB2  LEU   7           2HB      LEU   7  -7.302  -4.758   0.179
   56    HB3  LEU   7           1HB      LEU   7  -6.604  -3.805   1.480
   57    HG   LEU   7           HG       LEU   7  -9.012  -4.457   1.827
   58   HD11  LEU   7          1HD1      LEU   7  -7.739  -1.918   2.198
   59   HD12  LEU   7          2HD1      LEU   7  -8.953  -2.699   3.210
   60   HD13  LEU   7          3HD1      LEU   7  -9.454  -1.654   1.881
   61   HD21  LEU   7          3HD2      LEU   7 -10.123  -4.311  -0.201
   62   HD22  LEU   7          1HD2      LEU   7  -9.284  -2.840  -0.683
   63   HD23  LEU   7          2HD2      LEU   7 -10.572  -2.763   0.514
   64    H    GLY   8           H        GLY   8  -6.238  -4.826  -1.466
   65    HA2  GLY   8           2HA      GLY   8  -6.556  -5.861  -3.532
   66    HA3  GLY   8           1HA      GLY   8  -8.117  -5.048  -3.571
   67    H    THR   9           H        THR   9  -7.218  -5.203  -5.969
   68    HA   THR   9           HA       THR   9  -5.314  -3.103  -6.688
   69    HB   THR   9           HB       THR   9  -7.125  -4.548  -8.616
   70    HG1  THR   9           1HG      THR   9  -5.252  -6.056  -8.640
   71   HG21  THR   9          3HG2      THR   9  -5.732  -3.694 -10.170
   72   HG22  THR   9          1HG2      THR   9  -4.305  -4.196  -9.264
   73   HG23  THR   9          2HG2      THR   9  -5.092  -2.662  -8.891
   74    H    LYS  10           H        LYS  10  -8.772  -3.395  -6.361
   75    HA   LYS  10           HA       LYS  10  -9.771  -1.460  -8.094
   76    HB2  LYS  10           2HB      LYS  10 -11.229  -0.827  -5.929
   77    HB3  LYS  10           1HB      LYS  10 -11.471  -2.342  -6.796
   78    HG2  LYS  10           2HG      LYS  10 -10.241  -3.583  -5.201
   79    HG3  LYS  10           1HG      LYS  10  -9.498  -2.134  -4.523
   80    HD2  LYS  10           2HD      LYS  10 -11.612  -1.413  -3.582
   81    HD3  LYS  10           1HD      LYS  10 -12.466  -2.725  -4.394
   82    HE2  LYS  10           2HE      LYS  10 -10.208  -3.628  -2.741
   83    HE3  LYS  10           1HE      LYS  10 -11.495  -2.846  -1.823
   84    HZ1  LYS  10           3HZ      LYS  10 -13.062  -4.324  -3.103
   85    HZ2  LYS  10           1HZ      LYS  10 -12.081  -5.098  -1.957
   86    HZ3  LYS  10           2HZ      LYS  10 -11.696  -5.198  -3.609
   87    HA   PRO  11           HA       PRO  11  -8.055   2.397  -6.897
   88    HB2  PRO  11           2HB      PRO  11 -10.237   4.076  -7.037
   89    HB3  PRO  11           1HB      PRO  11  -9.384   3.450  -8.459
   90    HG2  PRO  11           2HG      PRO  11 -12.019   2.617  -7.327
   91    HG3  PRO  11           1HG      PRO  11 -11.447   2.553  -9.002
   92    HD2  PRO  11           2HD      PRO  11 -11.586   0.358  -7.257
   93    HD3  PRO  11           1HD      PRO  11 -10.632   0.417  -8.754
   94    HA   PRO  12           HA       PRO  12  -9.177   2.179  -2.552
   95    HB2  PRO  12           2HB      PRO  12  -6.732   3.085  -1.656
   96    HB3  PRO  12           1HB      PRO  12  -7.039   1.402  -2.095
   97    HG2  PRO  12           2HG      PRO  12  -5.540   3.478  -3.551
   98    HG3  PRO  12           1HG      PRO  12  -5.382   1.721  -3.642
   99    HD2  PRO  12           2HD      PRO  12  -6.699   3.369  -5.539
  100    HD3  PRO  12           1HD      PRO  12  -6.797   1.597  -5.442
  101    H    THR  13           H        THR  13  -8.517   3.937  -0.656
  102    HA   THR  13           HA       THR  13  -9.312   6.589  -1.791
  103    HB   THR  13           HB       THR  13 -10.200   7.048   0.505
  104    HG1  THR  13           1HG      THR  13  -8.875   5.550   1.600
  105   HG21  THR  13          3HG2      THR  13 -12.070   6.373  -0.561
  106   HG22  THR  13          1HG2      THR  13 -11.828   4.807   0.214
  107   HG23  THR  13          2HG2      THR  13 -11.206   5.093  -1.412
  108    H    THR  14           H        THR  14  -7.591   7.953  -1.836
  109    HA   THR  14           HA       THR  14  -5.096   7.475  -0.691
  110    HB   THR  14           HB       THR  14  -4.933  10.098  -0.697
  111    HG1  THR  14           1HG      THR  14  -6.816  10.937  -1.080
  112   HG21  THR  14          3HG2      THR  14  -5.087   9.787  -3.372
  113   HG22  THR  14          1HG2      THR  14  -5.068   8.094  -2.876
  114   HG23  THR  14          2HG2      THR  14  -3.748   9.166  -2.406
  115    H    GLU  15           H        GLU  15  -4.069   8.145   1.160
  116    HA   GLU  15           HA       GLU  15  -5.697   9.293   3.357
  117    HB2  GLU  15           2HB      GLU  15  -5.055   7.593   4.913
  118    HB3  GLU  15           1HB      GLU  15  -5.614   6.729   3.482
  119    HG2  GLU  15           2HG      GLU  15  -3.609   5.623   3.876
  120    HG3  GLU  15           1HG      GLU  15  -3.060   6.898   2.784
  121    H    THR  16           H        THR  16  -4.519  10.880   4.346
  122    HA   THR  16           HA       THR  16  -1.862  11.441   3.349
  123    HB   THR  16           HB       THR  16  -2.265  12.989   5.671
  124    HG1  THR  16           1HG      THR  16  -4.331  12.583   5.969
  125   HG21  THR  16          3HG2      THR  16  -1.577  13.511   3.182
  126   HG22  THR  16          1HG2      THR  16  -2.330  14.763   4.170
  127   HG23  THR  16          2HG2      THR  16  -3.295  13.868   2.996
  128    H    CYS  17           H        CYS  17   0.058  10.923   4.205
  129    HA   CYS  17           HA       CYS  17   0.228   9.941   7.007
  130    HB2  CYS  17           2HB      CYS  17   0.574   8.358   4.572
  131    HB3  CYS  17           1HB      CYS  17   2.009   8.333   5.593
  132    H    GLN  18           H        GLN  18   2.292  10.437   7.935
  133    HA   GLN  18           HA       GLN  18   3.692  12.627   6.759
  134    HB2  GLN  18           2HB      GLN  18   3.823  12.084   9.173
  135    HB3  GLN  18           1HB      GLN  18   4.776  10.659   8.781
  136    HG2  GLN  18           2HG      GLN  18   6.182  12.673   9.368
  137    HG3  GLN  18           1HG      GLN  18   6.516  11.996   7.780
  138   HE21  GLN  18          1HE2      GLN  18   5.571  13.143   5.871
  139   HE22  GLN  18          2HE2      GLN  18   5.154  14.784   5.977
  140    H    GLU  19           H        GLU  19   4.268   9.165   6.730
  141    HA   GLU  19           HA       GLU  19   6.848   9.345   5.484
  142    HB2  GLU  19           2HB      GLU  19   5.365   6.983   4.612
  143    HB3  GLU  19           1HB      GLU  19   6.857   7.083   5.538
  144    HG2  GLU  19           2HG      GLU  19   4.044   7.343   6.641
  145    HG3  GLU  19           1HG      GLU  19   5.149   5.993   6.894
  146    H    ASP  20           H        ASP  20   7.261  10.063   3.500
  147    HA   ASP  20           HA       ASP  20   5.114  10.668   1.658
  148    HB2  ASP  20           2HB      ASP  20   7.494  10.703   0.151
  149    HB3  ASP  20           1HB      ASP  20   6.664  12.089   0.845
  150    H    SER  21           H        SER  21   6.870   7.889   2.380
  151    HA   SER  21           HA       SER  21   6.732   6.698  -0.272
  152    HB2  SER  21           2HB      SER  21   6.960   4.799   1.908
  153    HB3  SER  21           1HB      SER  21   8.121   5.169   0.637
  154    HG   SER  21           HG       SER  21   8.103   5.930   3.216
  155    H    CYS  22           H        CYS  22   5.182   5.120  -0.915
  156    HA   CYS  22           HA       CYS  22   2.859   4.782   0.932
  157    HB2  CYS  22           2HB      CYS  22   2.622   4.733  -2.072
  158    HB3  CYS  22           1HB      CYS  22   1.346   4.937  -0.885
  159    H    TYR  23           H        TYR  23   2.597   2.625   1.400
  160    HA   TYR  23           HA       TYR  23   4.051   0.776  -0.403
  161    HB2  TYR  23           2HB      TYR  23   4.507  -0.650   1.385
  162    HB3  TYR  23           1HB      TYR  23   4.709   0.948   2.066
  163    HD1  TYR  23           2HD      TYR  23   2.249   1.943   2.970
  164    HD2  TYR  23           1HD      TYR  23   3.461  -2.168   2.737
  165    HE1  TYR  23           2HE      TYR  23   0.606   1.359   4.723
  166    HE2  TYR  23           1HE      TYR  23   1.815  -2.748   4.498
  167    HH   TYR  23           HH       TYR  23   0.147  -2.013   5.767
  168    H    LYS  24           H        LYS  24   3.051  -0.624  -1.529
  169    HA   LYS  24           HA       LYS  24   0.268  -1.404  -0.765
  170    HB2  LYS  24           2HB      LYS  24  -0.173  -0.058  -2.581
  171    HB3  LYS  24           1HB      LYS  24   1.345  -0.426  -3.373
  172    HG2  LYS  24           2HG      LYS  24   0.216  -2.874  -3.468
  173    HG3  LYS  24           1HG      LYS  24  -1.242  -1.880  -3.448
  174    HD2  LYS  24           2HD      LYS  24   0.840  -0.833  -5.214
  175    HD3  LYS  24           1HD      LYS  24   0.273  -2.434  -5.687
  176    HE2  LYS  24           2HE      LYS  24  -2.065  -1.103  -5.027
  177    HE3  LYS  24           1HE      LYS  24  -1.102   0.146  -5.816
  178    HZ1  LYS  24           3HZ      LYS  24  -0.693  -1.482  -7.632
  179    HZ2  LYS  24           1HZ      LYS  24  -2.313  -1.003  -7.489
  180    HZ3  LYS  24           2HZ      LYS  24  -1.823  -2.519  -6.903
  181    H    ASN  25           H        ASN  25   0.404  -3.446  -0.154
  182    HA   ASN  25           HA       ASN  25   2.212  -5.315  -1.642
  183    HB2  ASN  25           2HB      ASN  25   1.987  -6.514   0.767
  184    HB3  ASN  25           1HB      ASN  25   3.224  -5.312   0.451
  185   HD21  ASN  25          1HD2      ASN  25   2.256  -2.908   0.778
  186   HD22  ASN  25          2HD2      ASN  25   1.316  -2.704   2.168
  187    H    ILE  26           H        ILE  26   1.499  -7.681  -1.137
  188    HA   ILE  26           HA       ILE  26  -1.466  -7.813  -1.458
  189    HB   ILE  26           HB       ILE  26  -1.151  -9.766  -2.833
  190   HG12  ILE  26          2HG1      ILE  26   1.440 -10.297  -3.264
  191   HG13  ILE  26          1HG1      ILE  26   1.575  -9.673  -1.619
  192   HG21  ILE  26          1HG2      ILE  26   1.131  -8.224  -3.905
  193   HG22  ILE  26          2HG2      ILE  26  -0.317  -7.274  -3.572
  194   HG23  ILE  26          3HG2      ILE  26  -0.400  -8.651  -4.671
  195   HD11  ILE  26          3HD1      ILE  26   0.881 -12.268  -2.303
  196   HD12  ILE  26          1HD1      ILE  26  -0.674 -11.517  -1.945
  197   HD13  ILE  26          2HD1      ILE  26   0.607 -11.511  -0.733
  198    H    TRP  27           H        TRP  27   1.037  -8.454   0.661
  199    HA   TRP  27           HA       TRP  27  -0.221 -10.893   1.797
  200    HB2  TRP  27           2HB      TRP  27   2.058  -9.747   3.245
  201    HB3  TRP  27           1HB      TRP  27   1.820 -11.391   2.658
  202    HD1  TRP  27           HD       TRP  27   3.294  -8.031   1.681
  203    HE1  TRP  27           1HE      TRP  27   4.710  -8.315  -0.453
  204    HE3  TRP  27           3HE      TRP  27   2.083 -12.840   0.455
  205    HZ2  TRP  27           2HZ      TRP  27   5.257 -10.320  -2.422
  206    HZ3  TRP  27           3HZ      TRP  27   3.066 -13.910  -1.554
  207    HH2  TRP  27           HH       TRP  27   4.650 -12.657  -2.993
  208    H    THR  28           H        THR  28  -1.778 -10.572   3.305
  209    HA   THR  28           HA       THR  28  -1.300  -8.711   5.502
  210    HB   THR  28           HB       THR  28  -2.207  -7.089   4.018
  211    HG1  THR  28           1HG      THR  28  -4.264  -6.696   4.989
  212   HG21  THR  28          3HG2      THR  28  -4.737  -8.446   3.399
  213   HG22  THR  28          1HG2      THR  28  -3.319  -9.224   2.697
  214   HG23  THR  28          2HG2      THR  28  -3.661  -7.530   2.343
  215    H    PHE  29           H        PHE  29  -4.065 -10.397   3.944
  216    HA   PHE  29           HA       PHE  29  -4.590 -11.681   6.593
  217    HB2  PHE  29           2HB      PHE  29  -6.521 -11.167   4.306
  218    HB3  PHE  29           1HB      PHE  29  -6.928 -11.907   5.854
  219    HD1  PHE  29           2HD      PHE  29  -6.378 -10.522   7.995
  220    HD2  PHE  29           1HD      PHE  29  -6.652  -8.838   4.051
  221    HE1  PHE  29           2HE      PHE  29  -6.733  -8.272   8.978
  222    HE2  PHE  29           1HE      PHE  29  -7.006  -6.591   5.035
  223    HZ   PHE  29           HZ       PHE  29  -7.047  -6.307   7.499
  224    H    ASP  30           H        ASP  30  -5.508 -12.390   3.224
  225    HA   ASP  30           HA       ASP  30  -4.151 -15.034   3.474
  226    HB2  ASP  30           2HB      ASP  30  -6.768 -14.843   2.024
  227    HB3  ASP  30           1HB      ASP  30  -6.036 -16.230   2.829
  228    H    ASN  31           H        ASN  31  -6.076 -13.218   1.047
  229    HA   ASN  31           HA       ASN  31  -3.699 -13.056  -0.695
  230    HB2  ASN  31           2HB      ASN  31  -5.290 -15.246  -1.007
  231    HB3  ASN  31           1HB      ASN  31  -6.087 -14.108  -2.095
  232   HD21  ASN  31          1HD2      ASN  31  -4.142 -12.701  -3.312
  233   HD22  ASN  31          2HD2      ASN  31  -2.998 -13.702  -4.069
  234    H    ILE  32           H        ILE  32  -4.135 -10.765  -0.182
  235    HA   ILE  32           HA       ILE  32  -6.107  -9.621  -2.081
  236    HB   ILE  32           HB       ILE  32  -6.555  -7.907  -0.089
  237   HG12  ILE  32          2HG1      ILE  32  -4.919  -9.255   1.349
  238   HG13  ILE  32          1HG1      ILE  32  -6.472  -8.859   2.079
  239   HG21  ILE  32          1HG2      ILE  32  -8.226  -9.326  -1.303
  240   HG22  ILE  32          2HG2      ILE  32  -8.596  -9.114   0.408
  241   HG23  ILE  32          3HG2      ILE  32  -7.887 -10.625  -0.160
  242   HD11  ILE  32          3HD1      ILE  32  -6.852 -11.052   2.419
  243   HD12  ILE  32          1HD1      ILE  32  -5.326 -11.450   1.632
  244   HD13  ILE  32          2HD1      ILE  32  -6.801 -11.322   0.678
  245    H    ILE  33           H        ILE  33  -5.733  -6.923  -1.347
  246    HA   ILE  33           HA       ILE  33  -2.787  -6.519  -1.459
  247    HB   ILE  33           HB       ILE  33  -4.611  -4.904  -3.217
  248   HG12  ILE  33          2HG1      ILE  33  -4.921  -7.396  -3.628
  249   HG13  ILE  33          1HG1      ILE  33  -4.357  -6.468  -5.017
  250   HG21  ILE  33          1HG2      ILE  33  -2.494  -3.948  -3.227
  251   HG22  ILE  33          2HG2      ILE  33  -2.334  -5.085  -4.565
  252   HG23  ILE  33          3HG2      ILE  33  -1.682  -5.493  -2.979
  253   HD11  ILE  33          3HD1      ILE  33  -2.206  -7.497  -3.280
  254   HD12  ILE  33          1HD1      ILE  33  -2.330  -7.499  -5.040
  255   HD13  ILE  33          2HD1      ILE  33  -3.147  -8.745  -4.098
  256    H    ARG  34           H        ARG  34  -2.138  -4.382  -0.652
  257    HA   ARG  34           HA       ARG  34  -4.344  -2.733   0.398
  258    HB2  ARG  34           2HB      ARG  34  -3.405  -4.510   2.121
  259    HB3  ARG  34           1HB      ARG  34  -2.190  -3.246   2.357
  260    HG2  ARG  34           2HG      ARG  34  -3.724  -1.725   3.168
  261    HG3  ARG  34           1HG      ARG  34  -5.034  -2.389   2.209
  262    HD2  ARG  34           2HD      ARG  34  -5.728  -3.298   4.175
  263    HD3  ARG  34           1HD      ARG  34  -4.474  -4.497   3.861
  264    HE   ARG  34           HE       ARG  34  -3.677  -2.066   5.355
  265   HH11  ARG  34          1HH2      ARG  34  -2.029  -4.574   5.235
  266   HH12  ARG  34          2HH2      ARG  34  -2.374  -5.304   6.767
  267   HH21  ARG  34          1HH1      ARG  34  -5.185  -3.359   7.357
  268   HH22  ARG  34          2HH1      ARG  34  -4.163  -4.616   7.969
  269    H    ARG  35           H        ARG  35  -3.948  -0.799  -0.348
  270    HA   ARG  35           HA       ARG  35  -1.198   0.176  -0.731
  271    HB2  ARG  35           2HB      ARG  35  -3.797   1.637  -1.197
  272    HB3  ARG  35           1HB      ARG  35  -2.221   2.062  -1.829
  273    HG2  ARG  35           2HG      ARG  35  -3.071   0.949  -3.665
  274    HG3  ARG  35           1HG      ARG  35  -2.346  -0.412  -2.809
  275    HD2  ARG  35           2HD      ARG  35  -4.370  -1.292  -2.207
  276    HD3  ARG  35           1HD      ARG  35  -5.110   0.296  -2.004
  277    HE   ARG  35           HE       ARG  35  -6.086  -0.351  -4.079
  278   HH11  ARG  35          1HH2      ARG  35  -4.422  -2.634  -4.866
  279   HH12  ARG  35          2HH2      ARG  35  -3.520  -2.022  -6.211
  280   HH21  ARG  35          1HH1      ARG  35  -4.138   1.302  -5.448
  281   HH22  ARG  35          2HH1      ARG  35  -3.359   0.208  -6.540
  282    H    GLY  36           H        GLY  36  -0.209   1.126   0.970
  283    HA2  GLY  36           2HA      GLY  36  -1.884   2.730   2.849
  284    HA3  GLY  36           1HA      GLY  36  -0.671   1.615   3.454
  285    H    CYS  37           H        CYS  37   0.474   3.370   4.437
  286    HA   CYS  37           HA       CYS  37   1.973   5.055   2.485
  287    HB2  CYS  37           2HB      CYS  37   2.056   6.719   4.459
  288    HB3  CYS  37           1HB      CYS  37   0.541   6.584   3.566
  289    H    GLY  38           H        GLY  38   4.157   4.730   2.628
  290    HA2  GLY  38           2HA      GLY  38   6.246   4.380   3.714
  291    HA3  GLY  38           1HA      GLY  38   5.382   4.130   5.235
  292    H    CYS  39           H        CYS  39   7.432   2.417   3.772
  293    HA   CYS  39           HA       CYS  39   6.097   0.124   2.711
  294    HB2  CYS  39           2HB      CYS  39   8.757   0.283   4.104
  295    HB3  CYS  39           1HB      CYS  39   8.188  -1.104   3.196
  296    H    PHE  40           H        PHE  40   5.682  -1.892   3.698
  297    HA   PHE  40           HA       PHE  40   4.396  -1.671   6.248
  298    HB2  PHE  40           2HB      PHE  40   4.375  -4.254   6.066
  299    HB3  PHE  40           1HB      PHE  40   3.521  -3.332   4.848
  300    HD1  PHE  40           2HD      PHE  40   7.144  -3.182   4.716
  301    HD2  PHE  40           1HD      PHE  40   3.689  -5.341   3.367
  302    HE1  PHE  40           2HE      PHE  40   8.505  -4.245   2.953
  303    HE2  PHE  40           1HE      PHE  40   5.055  -6.407   1.595
  304    HZ   PHE  40           HZ       PHE  40   7.467  -5.864   1.392
  305    H    THR  41           H        THR  41   4.976  -3.404   8.047
  306    HA   THR  41           HA       THR  41   7.603  -2.638   8.998
  307    HB   THR  41           HB       THR  41   5.680  -4.597  10.258
  308    HG1  THR  41           1HG      THR  41   4.635  -2.916  10.995
  309   HG21  THR  41          3HG2      THR  41   7.465  -4.847  11.631
  310   HG22  THR  41          1HG2      THR  41   7.012  -3.257  12.241
  311   HG23  THR  41          2HG2      THR  41   8.264  -3.404  11.007
  312    HA   PRO  42           HA       PRO  42   8.614  -7.248   8.547
  313    HB2  PRO  42           2HB      PRO  42   6.872  -8.827   7.124
  314    HB3  PRO  42           1HB      PRO  42   6.743  -8.555   8.870
  315    HG2  PRO  42           2HG      PRO  42   5.036  -7.492   6.692
  316    HG3  PRO  42           1HG      PRO  42   4.676  -7.653   8.418
  317    HD2  PRO  42           2HD      PRO  42   5.457  -5.280   7.014
  318    HD3  PRO  42           1HD      PRO  42   5.178  -5.439   8.756
  319    H    ARG  43           H        ARG  43   9.194  -5.161   6.726
  320    HA   ARG  43           HA       ARG  43   8.940  -5.940   3.985
  321    HB2  ARG  43           2HB      ARG  43   9.505  -3.674   4.420
  322    HB3  ARG  43           1HB      ARG  43  10.874  -4.120   5.428
  323    HG2  ARG  43           2HG      ARG  43  12.108  -4.923   3.525
  324    HG3  ARG  43           1HG      ARG  43  10.693  -4.783   2.480
  325    HD2  ARG  43           2HD      ARG  43  11.977  -2.849   1.997
  326    HD3  ARG  43           1HD      ARG  43  10.708  -2.282   3.083
  327    HE   ARG  43           HE       ARG  43  12.514  -2.617   4.924
  328   HH11  ARG  43          1HH2      ARG  43  12.693  -0.937   2.008
  329   HH12  ARG  43          2HH2      ARG  43  14.371  -0.530   2.148
  330   HH21  ARG  43          1HH1      ARG  43  14.882  -2.494   4.962
  331   HH22  ARG  43          2HH1      ARG  43  15.611  -1.413   3.821
  332    H    GLY  44           H        GLY  44  10.762  -6.631   2.585
  333    HA2  GLY  44           2HA      GLY  44  13.192  -7.680   3.446
  334    HA3  GLY  44           1HA      GLY  44  12.019  -8.982   3.640
  335    H    ASP  45           H        ASP  45  13.522  -9.950   1.914
  336    HA   ASP  45           HA       ASP  45  13.151  -8.854  -0.797
  337    HB2  ASP  45           2HB      ASP  45  14.752 -11.089   0.411
  338    HB3  ASP  45           1HB      ASP  45  14.449 -11.081  -1.327
  339    H    MET  46           H        MET  46  11.310 -10.728   1.232
  340    HA   MET  46           HA       MET  46  10.388 -12.687  -0.728
  341    HB2  MET  46           2HB      MET  46  10.325 -12.629   1.993
  342    HB3  MET  46           1HB      MET  46   8.677 -12.131   1.612
  343    HG2  MET  46           2HG      MET  46   8.799 -14.575   1.795
  344    HG3  MET  46           1HG      MET  46   8.430 -14.103   0.136
  345    HE1  MET  46           3HE      MET  46   9.999 -16.032  -1.715
  346    HE2  MET  46           1HE      MET  46   8.735 -16.151  -0.483
  347    HE3  MET  46           2HE      MET  46  10.150 -17.197  -0.401
  348    HA   PRO  47           HA       PRO  47   6.603  -9.786  -0.788
  349    HB2  PRO  47           2HB      PRO  47   6.828  -7.387   0.525
  350    HB3  PRO  47           1HB      PRO  47   6.220  -8.869   1.279
  351    HG2  PRO  47           2HG      PRO  47   8.836  -7.514   1.666
  352    HG3  PRO  47           1HG      PRO  47   7.984  -8.633   2.744
  353    HD2  PRO  47           2HD      PRO  47  10.187  -9.252   1.040
  354    HD3  PRO  47           1HD      PRO  47   9.208 -10.410   1.961
  355    H    GLY  48           H        GLY  48   6.052  -8.104  -2.261
  356    HA2  GLY  48           2HA      GLY  48   8.197  -6.352  -3.249
  357    HA3  GLY  48           1HA      GLY  48   7.479  -7.468  -4.408
  358    HA   PRO  49           HA       PRO  49   3.869  -4.624  -2.988
  359    HB2  PRO  49           2HB      PRO  49   4.498  -2.659  -1.171
  360    HB3  PRO  49           1HB      PRO  49   3.937  -4.269  -0.718
  361    HG2  PRO  49           2HG      PRO  49   6.697  -3.148  -0.617
  362    HG3  PRO  49           1HG      PRO  49   5.938  -4.365   0.413
  363    HD2  PRO  49           2HD      PRO  49   7.735  -4.936  -1.655
  364    HD3  PRO  49           1HD      PRO  49   6.602  -6.104  -0.942
  365    H    TYR  50           H        TYR  50   3.520  -2.021  -2.879
  366    HA   TYR  50           HA       TYR  50   5.319  -0.916  -4.982
  367    HB2  TYR  50           2HB      TYR  50   2.636  -1.216  -5.139
  368    HB3  TYR  50           1HB      TYR  50   2.706   0.380  -4.392
  369    HD1  TYR  50           2HD      TYR  50   5.519   0.989  -5.691
  370    HD2  TYR  50           1HD      TYR  50   1.735  -0.321  -7.247
  371    HE1  TYR  50           2HE      TYR  50   6.076   1.991  -7.890
  372    HE2  TYR  50           1HE      TYR  50   2.293   0.679  -9.446
  373    HH   TYR  50           HH       TYR  50   4.492   1.259 -10.694
  374    H    CYS  51           H        CYS  51   6.759  -0.427  -3.075
  375    HA   CYS  51           HA       CYS  51   5.881   1.656  -1.181
  376    HB2  CYS  51           2HB      CYS  51   8.396   0.122  -1.715
  377    HB3  CYS  51           1HB      CYS  51   8.523   1.688  -0.912
  378    H    CYS  52           H        CYS  52   5.589   3.676  -2.101
  379    HA   CYS  52           HA       CYS  52   7.807   4.683  -3.833
  380    HB2  CYS  52           2HB      CYS  52   5.816   5.984  -5.023
  381    HB3  CYS  52           1HB      CYS  52   6.338   4.403  -5.566
  382    H    GLU  53           H        GLU  53   8.309   6.807  -3.578
  383    HA   GLU  53           HA       GLU  53   7.130   8.143  -1.247
  384    HB2  GLU  53           2HB      GLU  53   9.180   9.462  -2.966
  385    HB3  GLU  53           1HB      GLU  53   8.993   9.484  -1.211
  386    HG2  GLU  53           2HG      GLU  53  10.636   7.938  -1.146
  387    HG3  GLU  53           1HG      GLU  53   9.443   6.802  -1.773
  388    H    SER  54           H        SER  54   5.742   7.776  -3.981
  389    HA   SER  54           HA       SER  54   5.282  10.648  -4.616
  390    HB2  SER  54           2HB      SER  54   3.770   9.201  -6.407
  391    HB3  SER  54           1HB      SER  54   5.403   9.785  -6.709
  392    HG   SER  54           HG       SER  54   5.492   7.627  -7.062
  393    H    ASP  55           H        ASP  55   3.192  11.533  -4.419
  394    HA   ASP  55           HA       ASP  55   1.558  10.365  -2.366
  395    HB2  ASP  55           2HB      ASP  55   0.529  12.444  -4.280
  396    HB3  ASP  55           1HB      ASP  55   0.200  12.263  -2.558
  397    H    LYS  56           H        LYS  56  -0.501   9.408  -2.552
  398    HA   LYS  56           HA       LYS  56  -1.824   7.701  -3.519
  399    HB2  LYS  56           2HB      LYS  56  -3.288   8.586  -5.231
  400    HB3  LYS  56           1HB      LYS  56  -2.939   9.884  -4.091
  401    HG2  LYS  56           2HG      LYS  56  -1.115   9.605  -6.435
  402    HG3  LYS  56           1HG      LYS  56  -2.732  10.234  -6.738
  403    HD2  LYS  56           2HD      LYS  56  -1.752  11.507  -4.385
  404    HD3  LYS  56           1HD      LYS  56  -0.487  11.607  -5.611
  405    HE2  LYS  56           2HE      LYS  56  -2.132  12.504  -7.228
  406    HE3  LYS  56           1HE      LYS  56  -3.382  12.428  -5.988
  407    HZ1  LYS  56           3HZ      LYS  56  -1.946  13.900  -4.620
  408    HZ2  LYS  56           1HZ      LYS  56  -2.533  14.629  -6.034
  409    HZ3  LYS  56           2HZ      LYS  56  -0.925  14.087  -5.965
  410    H    CYS  57           H        CYS  57   0.878   7.206  -4.127
  411    HA   CYS  57           HA       CYS  57   1.005   6.732  -7.040
  412    HB2  CYS  57           2HB      CYS  57   3.302   5.922  -6.537
  413    HB3  CYS  57           1HB      CYS  57   3.009   7.554  -5.933
  414    H    ASN  58           H        ASN  58   0.567   4.788  -4.070
  415    HA   ASN  58           HA       ASN  58   1.104   2.297  -5.379
  416    HB2  ASN  58           2HB      ASN  58  -0.522   1.471  -3.419
  417    HB3  ASN  58           1HB      ASN  58   1.162   1.883  -3.135
  418   HD21  ASN  58          1HD2      ASN  58   0.088   2.205  -0.840
  419   HD22  ASN  58          2HD2      ASN  58  -0.516   3.764  -0.511
  420    H    LEU  59           H        LEU  59  -0.218   3.061  -7.361
  421    HA   LEU  59           HA       LEU  59  -2.980   1.953  -7.076
  422    HB2  LEU  59           2HB      LEU  59  -2.310   4.589  -7.791
  423    HB3  LEU  59           1HB      LEU  59  -2.726   3.794  -9.305
  424    HG   LEU  59           HG       LEU  59  -4.681   4.851  -8.073
  425   HD11  LEU  59          1HD1      LEU  59  -4.504   1.985  -8.925
  426   HD12  LEU  59          2HD1      LEU  59  -5.389   3.318  -9.664
  427   HD13  LEU  59          3HD1      LEU  59  -6.006   2.554  -8.199
  428   HD21  LEU  59          3HD2      LEU  59  -5.042   4.327  -5.908
  429   HD22  LEU  59          1HD2      LEU  59  -3.566   3.363  -5.927
  430   HD23  LEU  59          2HD2      LEU  59  -5.112   2.615  -6.314
  Start of MODEL    3
    1    H1   ARG   1           1HT      ARG   1   3.901  13.604   4.106
    2    H2   ARG   1           2HT      ARG   1   3.040  12.161   4.355
    3    H3   ARG   1           3HT      ARG   1   2.257  13.660   4.517
    4    HA   ARG   1           HA       ARG   1   2.564  14.109   2.170
    5    HB2  ARG   1           2HB      ARG   1   4.614  12.346   2.325
    6    HB3  ARG   1           1HB      ARG   1   3.363  11.296   1.658
    7    HG2  ARG   1           2HG      ARG   1   2.995  13.478   0.107
    8    HG3  ARG   1           1HG      ARG   1   4.720  13.634   0.438
    9    HD2  ARG   1           2HD      ARG   1   4.678  11.017  -0.126
   10    HD3  ARG   1           1HD      ARG   1   3.264  11.488  -1.058
   11    HE   ARG   1           HE       ARG   1   5.371  11.732  -2.427
   12   HH11  ARG   1          1HH2      ARG   1   3.648  14.347  -1.479
   13   HH12  ARG   1          2HH2      ARG   1   4.926  15.509  -1.620
   14   HH21  ARG   1          1HH1      ARG   1   7.410  13.125  -2.012
   15   HH22  ARG   1          2HH1      ARG   1   7.053  14.818  -1.923
   16    H    ILE   2           H        ILE   2   1.578  12.060   0.439
   17    HA   ILE   2           HA       ILE   2  -0.771  10.987   1.940
   18    HB   ILE   2           HB       ILE   2  -1.135  12.113  -0.812
   19   HG12  ILE   2          2HG1      ILE   2  -1.174  13.649   1.801
   20   HG13  ILE   2          1HG1      ILE   2  -0.162  13.950   0.391
   21   HG21  ILE   2          1HG2      ILE   2  -2.837  11.373   1.556
   22   HG22  ILE   2          2HG2      ILE   2  -3.001  10.885  -0.131
   23   HG23  ILE   2          3HG2      ILE   2  -3.447  12.519   0.361
   24   HD11  ILE   2          3HD1      ILE   2  -1.804  15.083  -0.683
   25   HD12  ILE   2          1HD1      ILE   2  -2.587  15.176   0.893
   26   HD13  ILE   2          2HD1      ILE   2  -3.028  13.896  -0.237
   27    H    CYS   3           H        CYS   3  -1.296   8.948   1.364
   28    HA   CYS   3           HA       CYS   3  -0.418   8.020  -1.304
   29    HB2  CYS   3           2HB      CYS   3  -0.012   6.360   1.207
   30    HB3  CYS   3           1HB      CYS   3   0.411   5.889  -0.434
   31    H    TYR   4           H        TYR   4  -1.609   5.891  -1.857
   32    HA   TYR   4           HA       TYR   4  -4.395   6.359  -1.115
   33    HB2  TYR   4           2HB      TYR   4  -3.022   4.536  -3.064
   34    HB3  TYR   4           1HB      TYR   4  -4.709   4.266  -2.648
   35    HD1  TYR   4           1HD      TYR   4  -2.760   7.440  -3.027
   36    HD2  TYR   4           2HD      TYR   4  -5.992   5.002  -4.456
   37    HE1  TYR   4           1HE      TYR   4  -3.438   9.250  -4.578
   38    HE2  TYR   4           2HE      TYR   4  -6.670   6.809  -6.008
   39    HH   TYR   4           HH       TYR   4  -4.994   9.046  -7.079
   40    H    ASN   5           H        ASN   5  -5.773   4.774  -0.190
   41    HA   ASN   5           HA       ASN   5  -4.377   2.755   1.504
   42    HB2  ASN   5           2HB      ASN   5  -5.343   4.485   2.887
   43    HB3  ASN   5           1HB      ASN   5  -6.870   4.408   2.010
   44   HD21  ASN   5          1HD2      ASN   5  -5.217   1.401   2.693
   45   HD22  ASN   5          2HD2      ASN   5  -6.294   0.875   3.891
   46    H    HIS   6           H        HIS   6  -5.408   2.373  -1.273
   47    HA   HIS   6           HA       HIS   6  -7.940   1.037  -1.175
   48    HB2  HIS   6           2HB      HIS   6  -7.666   1.040  -3.386
   49    HB3  HIS   6           1HB      HIS   6  -6.048   1.691  -3.174
   50    HD1  HIS   6           1HD      HIS   6  -4.161  -0.316  -2.705
   51    HD2  HIS   6           2HD      HIS   6  -7.704  -1.425  -4.600
   52    HE1  HIS   6           1HE      HIS   6  -3.717  -2.553  -3.802
   53    H    LEU   7           H        LEU   7  -8.439  -0.890  -0.325
   54    HA   LEU   7           HA       LEU   7  -6.218  -2.793   0.301
   55    HB2  LEU   7           2HB      LEU   7  -8.713  -2.024   1.677
   56    HB3  LEU   7           1HB      LEU   7  -8.408  -3.762   1.636
   57    HG   LEU   7           HG       LEU   7  -6.234  -3.478   2.640
   58   HD11  LEU   7          1HD1      LEU   7  -6.778  -0.560   2.103
   59   HD12  LEU   7          2HD1      LEU   7  -5.377  -1.520   1.633
   60   HD13  LEU   7          3HD1      LEU   7  -5.602  -1.056   3.319
   61   HD21  LEU   7          3HD2      LEU   7  -8.020  -1.562   4.145
   62   HD22  LEU   7          1HD2      LEU   7  -6.874  -2.732   4.799
   63   HD23  LEU   7          2HD2      LEU   7  -8.380  -3.286   4.065
   64    H    GLY   8           H        GLY   8  -6.188  -3.710  -1.854
   65    HA2  GLY   8           2HA      GLY   8  -7.061  -4.979  -3.673
   66    HA3  GLY   8           1HA      GLY   8  -7.525  -6.052  -2.355
   67    H    THR   9           H        THR   9  -8.845  -2.834  -2.706
   68    HA   THR   9           HA       THR   9 -11.479  -4.095  -3.327
   69    HB   THR   9           HB       THR   9 -12.013  -1.534  -2.413
   70    HG1  THR   9           1HG      THR   9 -10.730  -1.291  -0.595
   71   HG21  THR   9          3HG2      THR   9 -13.230  -3.558  -1.792
   72   HG22  THR   9          1HG2      THR   9 -12.718  -2.708  -0.333
   73   HG23  THR   9          2HG2      THR   9 -11.841  -4.140  -0.874
   74    H    LYS  10           H        LYS  10 -12.196  -3.688  -5.322
   75    HA   LYS  10           HA       LYS  10 -11.049  -2.333  -7.366
   76    HB2  LYS  10           2HB      LYS  10 -13.795  -3.049  -6.749
   77    HB3  LYS  10           1HB      LYS  10 -13.703  -1.601  -7.752
   78    HG2  LYS  10           2HG      LYS  10 -11.793  -3.538  -8.695
   79    HG3  LYS  10           1HG      LYS  10 -13.384  -4.290  -8.584
   80    HD2  LYS  10           2HD      LYS  10 -14.360  -2.461  -9.904
   81    HD3  LYS  10           1HD      LYS  10 -12.785  -1.671  -9.992
   82    HE2  LYS  10           2HE      LYS  10 -11.887  -3.744 -11.103
   83    HE3  LYS  10           1HE      LYS  10 -13.537  -4.364 -11.159
   84    HZ1  LYS  10           3HZ      LYS  10 -14.169  -2.360 -12.403
   85    HZ2  LYS  10           1HZ      LYS  10 -13.013  -3.292 -13.223
   86    HZ3  LYS  10           2HZ      LYS  10 -12.543  -1.868 -12.422
   87    HA   PRO  11           HA       PRO  11 -12.765   1.926  -6.033
   88    HB2  PRO  11           2HB      PRO  11 -14.206   2.005  -3.693
   89    HB3  PRO  11           1HB      PRO  11 -14.948   1.712  -5.276
   90    HG2  PRO  11           2HG      PRO  11 -14.402  -0.225  -3.071
   91    HG3  PRO  11           1HG      PRO  11 -15.647  -0.281  -4.331
   92    HD2  PRO  11           2HD      PRO  11 -13.230  -1.758  -4.331
   93    HD3  PRO  11           1HD      PRO  11 -14.315  -1.537  -5.712
   94    HA   PRO  12           HA       PRO  12  -9.320   1.741  -3.084
   95    HB2  PRO  12           2HB      PRO  12  -7.899   3.768  -4.258
   96    HB3  PRO  12           1HB      PRO  12  -7.885   2.103  -4.862
   97    HG2  PRO  12           2HG      PRO  12  -9.226   4.493  -6.001
   98    HG3  PRO  12           1HG      PRO  12  -8.702   3.012  -6.816
   99    HD2  PRO  12           2HD      PRO  12 -11.362   3.669  -6.015
  100    HD3  PRO  12           1HD      PRO  12 -10.796   2.109  -6.642
  101    H    THR  13           H        THR  13  -8.845   3.030  -1.268
  102    HA   THR  13           HA       THR  13 -10.182   5.711  -1.179
  103    HB   THR  13           HB       THR  13 -11.326   5.000   0.630
  104    HG1  THR  13           1HG      THR  13 -10.242   5.114   2.462
  105   HG21  THR  13          3HG2      THR  13 -11.288   2.717  -0.092
  106   HG22  THR  13          1HG2      THR  13 -10.874   2.697   1.622
  107   HG23  THR  13          2HG2      THR  13  -9.608   2.521   0.408
  108    H    THR  14           H        THR  14  -8.772   7.379  -0.618
  109    HA   THR  14           HA       THR  14  -5.969   6.556  -0.260
  110    HB   THR  14           HB       THR  14  -5.453   8.971  -0.540
  111    HG1  THR  14           1HG      THR  14  -7.029  10.381  -0.647
  112   HG21  THR  14          3HG2      THR  14  -7.183   8.512  -2.845
  113   HG22  THR  14          1HG2      THR  14  -6.224   7.096  -2.411
  114   HG23  THR  14          2HG2      THR  14  -5.427   8.630  -2.755
  115    H    GLU  15           H        GLU  15  -4.653   7.916   1.231
  116    HA   GLU  15           HA       GLU  15  -6.031   8.786   3.691
  117    HB2  GLU  15           2HB      GLU  15  -4.197   6.390   3.514
  118    HB3  GLU  15           1HB      GLU  15  -4.322   7.322   5.006
  119    HG2  GLU  15           2HG      GLU  15  -6.564   5.886   3.556
  120    HG3  GLU  15           1HG      GLU  15  -5.907   5.504   5.146
  121    H    THR  16           H        THR  16  -4.283   9.728   5.223
  122    HA   THR  16           HA       THR  16  -2.017  10.768   3.566
  123    HB   THR  16           HB       THR  16  -2.886  12.545   5.731
  124    HG1  THR  16           1HG      THR  16  -4.641  12.540   3.581
  125   HG21  THR  16          3HG2      THR  16  -2.074  14.074   4.284
  126   HG22  THR  16          1HG2      THR  16  -3.084  13.477   2.968
  127   HG23  THR  16          2HG2      THR  16  -1.541  12.698   3.318
  128    H    CYS  17           H        CYS  17  -0.020  10.799   4.587
  129    HA   CYS  17           HA       CYS  17   0.062  10.193   7.497
  130    HB2  CYS  17           2HB      CYS  17   1.261   8.230   7.291
  131    HB3  CYS  17           1HB      CYS  17   0.328   8.128   5.805
  132    H    GLN  18           H        GLN  18   2.767   9.947   7.804
  133    HA   GLN  18           HA       GLN  18   3.708  12.669   7.066
  134    HB2  GLN  18           2HB      GLN  18   3.950  11.970   9.425
  135    HB3  GLN  18           1HB      GLN  18   4.931  10.602   8.914
  136    HG2  GLN  18           2HG      GLN  18   6.312  12.570   9.622
  137    HG3  GLN  18           1HG      GLN  18   6.605  12.074   7.961
  138   HE21  GLN  18          1HE2      GLN  18   5.485  13.375   6.225
  139   HE22  GLN  18          2HE2      GLN  18   5.081  14.993   6.525
  140    H    GLU  19           H        GLU  19   4.522   9.271   6.820
  141    HA   GLU  19           HA       GLU  19   7.025   9.606   5.490
  142    HB2  GLU  19           2HB      GLU  19   5.301   7.267   4.808
  143    HB3  GLU  19           1HB      GLU  19   7.023   7.314   5.185
  144    HG2  GLU  19           2HG      GLU  19   6.036   8.145   7.557
  145    HG3  GLU  19           1HG      GLU  19   4.693   7.132   7.021
  146    H    ASP  20           H        ASP  20   7.488   9.995   3.389
  147    HA   ASP  20           HA       ASP  20   5.244  10.671   1.610
  148    HB2  ASP  20           2HB      ASP  20   7.734  10.824   0.205
  149    HB3  ASP  20           1HB      ASP  20   6.689  12.146   0.714
  150    H    SER  21           H        SER  21   6.703   7.902   2.475
  151    HA   SER  21           HA       SER  21   7.034   6.686  -0.159
  152    HB2  SER  21           2HB      SER  21   6.732   4.707   1.845
  153    HB3  SER  21           1HB      SER  21   8.232   5.243   1.104
  154    HG   SER  21           HG       SER  21   8.082   5.479   3.446
  155    H    CYS  22           H        CYS  22   5.609   4.913  -0.868
  156    HA   CYS  22           HA       CYS  22   2.977   4.772   0.493
  157    HB2  CYS  22           2HB      CYS  22   3.223   5.131  -2.502
  158    HB3  CYS  22           1HB      CYS  22   1.742   5.077  -1.561
  159    H    TYR  23           H        TYR  23   2.652   2.598   0.784
  160    HA   TYR  23           HA       TYR  23   4.333   0.820  -0.888
  161    HB2  TYR  23           2HB      TYR  23   4.046  -0.860   0.832
  162    HB3  TYR  23           1HB      TYR  23   4.551   0.643   1.581
  163    HD1  TYR  23           1HD      TYR  23   1.430  -1.235   0.656
  164    HD2  TYR  23           2HD      TYR  23   3.302   1.472   3.417
  165    HE1  TYR  23           1HE      TYR  23  -0.592  -1.288   2.081
  166    HE2  TYR  23           2HE      TYR  23   1.278   1.418   4.837
  167    HH   TYR  23           HH       TYR  23  -1.646   0.388   3.836
  168    H    LYS  24           H        LYS  24   3.584  -0.986  -1.795
  169    HA   LYS  24           HA       LYS  24   0.646  -1.513  -1.814
  170    HB2  LYS  24           2HB      LYS  24   2.011  -0.340  -4.011
  171    HB3  LYS  24           1HB      LYS  24   1.583  -1.991  -4.436
  172    HG2  LYS  24           2HG      LYS  24  -0.680  -1.344  -3.276
  173    HG3  LYS  24           1HG      LYS  24  -0.191   0.284  -3.760
  174    HD2  LYS  24           2HD      LYS  24  -0.561  -2.130  -5.541
  175    HD3  LYS  24           1HD      LYS  24  -1.465  -0.620  -5.591
  176    HE2  LYS  24           2HE      LYS  24   0.478   0.603  -6.333
  177    HE3  LYS  24           1HE      LYS  24   1.515  -0.801  -6.085
  178    HZ1  LYS  24           3HZ      LYS  24   1.076  -1.374  -8.166
  179    HZ2  LYS  24           1HZ      LYS  24  -0.066  -0.131  -8.337
  180    HZ3  LYS  24           2HZ      LYS  24  -0.542  -1.643  -7.724
  181    H    ASN  25           H        ASN  25   0.884  -3.486  -0.758
  182    HA   ASN  25           HA       ASN  25   2.745  -5.440  -2.049
  183    HB2  ASN  25           2HB      ASN  25   1.902  -6.369   0.526
  184    HB3  ASN  25           1HB      ASN  25   3.518  -5.920   0.012
  185   HD21  ASN  25          1HD2      ASN  25   3.219  -3.111  -0.357
  186   HD22  ASN  25          2HD2      ASN  25   2.807  -2.410   1.126
  187    H    ILE  26           H        ILE  26   1.991  -7.794  -1.588
  188    HA   ILE  26           HA       ILE  26  -0.961  -7.977  -2.002
  189    HB   ILE  26           HB       ILE  26  -0.641  -9.639  -3.716
  190   HG12  ILE  26          2HG1      ILE  26   1.451 -10.582  -2.560
  191   HG13  ILE  26          1HG1      ILE  26   1.471 -10.554  -4.323
  192   HG21  ILE  26          1HG2      ILE  26   0.623  -8.323  -5.412
  193   HG22  ILE  26          2HG2      ILE  26   1.220  -7.281  -4.120
  194   HG23  ILE  26          3HG2      ILE  26  -0.504  -7.330  -4.490
  195   HD11  ILE  26          3HD1      ILE  26   3.324  -9.332  -2.539
  196   HD12  ILE  26          1HD1      ILE  26   2.457  -8.036  -3.363
  197   HD13  ILE  26          2HD1      ILE  26   3.309  -9.261  -4.301
  198    H    TRP  27           H        TRP  27   1.651  -8.879  -0.129
  199    HA   TRP  27           HA       TRP  27   0.860 -11.626   0.452
  200    HB2  TRP  27           2HB      TRP  27   2.512  -9.921   2.293
  201    HB3  TRP  27           1HB      TRP  27   2.638 -11.653   1.982
  202    HD1  TRP  27           HD       TRP  27   3.619  -8.267   0.556
  203    HE1  TRP  27           1HE      TRP  27   5.341  -8.619  -1.323
  204    HE3  TRP  27           3HE      TRP  27   3.477 -13.357   0.165
  205    HZ2  TRP  27           2HZ      TRP  27   6.509 -10.771  -2.804
  206    HZ3  TRP  27           3HZ      TRP  27   4.905 -14.531  -1.486
  207    HH2  TRP  27           HH       TRP  27   6.420 -13.247  -2.969
  208    H    THR  28           H        THR  28  -0.832 -12.160   1.731
  209    HA   THR  28           HA       THR  28  -1.413 -10.609   4.142
  210    HB   THR  28           HB       THR  28  -2.554  -9.430   2.164
  211    HG1  THR  28           1HG      THR  28  -3.247  -9.052   4.247
  212   HG21  THR  28          3HG2      THR  28  -3.435 -12.064   1.689
  213   HG22  THR  28          1HG2      THR  28  -3.943 -10.603   0.849
  214   HG23  THR  28          2HG2      THR  28  -4.855 -11.177   2.243
  215    H    PHE  29           H        PHE  29  -3.645 -11.601   5.058
  216    HA   PHE  29           HA       PHE  29  -3.398 -14.560   4.711
  217    HB2  PHE  29           2HB      PHE  29  -4.109 -12.867   7.113
  218    HB3  PHE  29           1HB      PHE  29  -4.442 -14.599   7.053
  219    HD1  PHE  29           2HD      PHE  29  -2.477 -16.170   6.469
  220    HD2  PHE  29           1HD      PHE  29  -1.966 -12.089   7.705
  221    HE1  PHE  29           2HE      PHE  29  -0.119 -16.649   7.075
  222    HE2  PHE  29           1HE      PHE  29   0.392 -12.567   8.309
  223    HZ   PHE  29           HZ       PHE  29   1.315 -14.846   7.995
  224    H    ASP  30           H        ASP  30  -5.526 -11.819   4.592
  225    HA   ASP  30           HA       ASP  30  -7.737 -13.664   3.817
  226    HB2  ASP  30           2HB      ASP  30  -9.198 -11.718   4.919
  227    HB3  ASP  30           1HB      ASP  30  -8.605 -13.077   5.873
  228    H    ASN  31           H        ASN  31  -6.315 -10.423   3.625
  229    HA   ASN  31           HA       ASN  31  -8.148  -9.672   1.440
  230    HB2  ASN  31           2HB      ASN  31  -5.740  -8.087   2.314
  231    HB3  ASN  31           1HB      ASN  31  -7.256  -7.502   1.633
  232   HD21  ASN  31          1HD2      ASN  31  -5.659  -8.475   4.603
  233   HD22  ASN  31          2HD2      ASN  31  -6.950  -8.113   5.641
  234    H    ILE  32           H        ILE  32  -5.846  -8.085   0.205
  235    HA   ILE  32           HA       ILE  32  -4.070 -10.115  -0.917
  236    HB   ILE  32           HB       ILE  32  -5.286  -8.905  -3.213
  237   HG12  ILE  32          2HG1      ILE  32  -7.520  -9.988  -3.085
  238   HG13  ILE  32          1HG1      ILE  32  -7.214 -10.394  -1.400
  239   HG21  ILE  32          1HG2      ILE  32  -4.113 -11.279  -2.477
  240   HG22  ILE  32          2HG2      ILE  32  -4.898 -10.972  -4.026
  241   HG23  ILE  32          3HG2      ILE  32  -5.795 -11.748  -2.722
  242   HD11  ILE  32          3HD1      ILE  32  -6.662  -7.690  -1.470
  243   HD12  ILE  32          1HD1      ILE  32  -8.184  -8.399  -0.933
  244   HD13  ILE  32          2HD1      ILE  32  -8.014  -7.833  -2.594
  245    H    ILE  33           H        ILE  33  -5.251  -7.218  -2.583
  246    HA   ILE  33           HA       ILE  33  -2.516  -6.133  -2.602
  247    HB   ILE  33           HB       ILE  33  -4.681  -4.335  -3.483
  248   HG12  ILE  33          2HG1      ILE  33  -5.711  -6.466  -4.084
  249   HG13  ILE  33          1HG1      ILE  33  -5.173  -5.622  -5.529
  250   HG21  ILE  33          1HG2      ILE  33  -2.067  -4.358  -3.880
  251   HG22  ILE  33          2HG2      ILE  33  -3.161  -3.781  -5.138
  252   HG23  ILE  33          3HG2      ILE  33  -2.498  -5.413  -5.226
  253   HD11  ILE  33          3HD1      ILE  33  -4.550  -7.999  -5.634
  254   HD12  ILE  33          1HD1      ILE  33  -3.662  -7.839  -4.120
  255   HD13  ILE  33          2HD1      ILE  33  -3.115  -6.977  -5.556
  256    H    ARG  34           H        ARG  34  -1.804  -4.409  -1.357
  257    HA   ARG  34           HA       ARG  34  -3.828  -2.905   0.170
  258    HB2  ARG  34           2HB      ARG  34  -3.057  -4.915   1.557
  259    HB3  ARG  34           1HB      ARG  34  -1.511  -4.066   1.680
  260    HG2  ARG  34           2HG      ARG  34  -2.510  -2.182   2.729
  261    HG3  ARG  34           1HG      ARG  34  -4.134  -2.715   2.309
  262    HD2  ARG  34           2HD      ARG  34  -4.157  -3.522   4.425
  263    HD3  ARG  34           1HD      ARG  34  -3.257  -4.863   3.715
  264    HE   ARG  34           HE       ARG  34  -1.393  -2.846   4.448
  265   HH11  ARG  34          1HH1      ARG  34  -3.838  -4.681   6.014
  266   HH12  ARG  34          2HH1      ARG  34  -2.874  -5.033   7.410
  267   HH21  ARG  34          1HH2      ARG  34  -0.041  -3.457   6.179
  268   HH22  ARG  34          2HH2      ARG  34  -0.725  -4.340   7.504
  269    H    ARG  35           H        ARG  35  -3.298  -0.990  -0.577
  270    HA   ARG  35           HA       ARG  35  -0.467  -0.206  -0.521
  271    HB2  ARG  35           2HB      ARG  35  -0.843   1.248  -2.316
  272    HB3  ARG  35           1HB      ARG  35  -1.885  -0.121  -2.683
  273    HG2  ARG  35           2HG      ARG  35  -3.760   1.078  -1.553
  274    HG3  ARG  35           1HG      ARG  35  -2.712   2.483  -1.409
  275    HD2  ARG  35           2HD      ARG  35  -4.328   2.342  -3.451
  276    HD3  ARG  35           1HD      ARG  35  -2.668   2.858  -3.721
  277    HE   ARG  35           HE       ARG  35  -2.298   0.340  -4.304
  278   HH11  ARG  35          1HH1      ARG  35  -4.813   2.473  -5.218
  279   HH12  ARG  35          2HH1      ARG  35  -5.496   1.391  -6.383
  280   HH21  ARG  35          1HH2      ARG  35  -3.324  -1.206  -5.651
  281   HH22  ARG  35          2HH2      ARG  35  -4.654  -0.686  -6.631
  282    H    GLY  36           H        GLY  36   0.188   1.253   0.940
  283    HA2  GLY  36           2HA      GLY  36  -1.832   3.098   2.124
  284    HA3  GLY  36           1HA      GLY  36  -0.801   2.142   3.181
  285    H    CYS  37           H        CYS  37   0.141   4.045   4.042
  286    HA   CYS  37           HA       CYS  37   1.873   5.598   2.174
  287    HB2  CYS  37           2HB      CYS  37   0.064   6.745   3.601
  288    HB3  CYS  37           1HB      CYS  37   1.092   6.381   4.985
  289    H    GLY  38           H        GLY  38   4.053   5.194   2.358
  290    HA2  GLY  38           2HA      GLY  38   6.107   4.872   3.573
  291    HA3  GLY  38           1HA      GLY  38   5.159   4.377   4.977
  292    H    CYS  39           H        CYS  39   6.544   2.423   5.008
  293    HA   CYS  39           HA       CYS  39   5.703   0.457   2.914
  294    HB2  CYS  39           2HB      CYS  39   8.218   0.497   4.572
  295    HB3  CYS  39           1HB      CYS  39   7.747  -0.837   3.538
  296    H    PHE  40           H        PHE  40   5.403  -1.769   3.703
  297    HA   PHE  40           HA       PHE  40   3.775  -1.818   6.069
  298    HB2  PHE  40           2HB      PHE  40   3.919  -4.341   5.776
  299    HB3  PHE  40           1HB      PHE  40   3.297  -3.448   4.397
  300    HD1  PHE  40           1HD      PHE  40   6.794  -2.854   4.736
  301    HD2  PHE  40           2HD      PHE  40   3.954  -5.743   3.310
  302    HE1  PHE  40           1HE      PHE  40   8.537  -3.851   3.307
  303    HE2  PHE  40           2HE      PHE  40   5.710  -6.749   1.882
  304    HZ   PHE  40           HZ       PHE  40   8.002  -5.802   1.878
  305    H    THR  41           H        THR  41   4.274  -3.478   7.896
  306    HA   THR  41           HA       THR  41   6.747  -2.607   9.128
  307    HB   THR  41           HB       THR  41   5.044  -4.799  10.253
  308    HG1  THR  41           1HG      THR  41   3.467  -3.440  10.631
  309   HG21  THR  41          3HG2      THR  41   7.013  -4.186  11.510
  310   HG22  THR  41          1HG2      THR  41   5.606  -3.535  12.350
  311   HG23  THR  41          2HG2      THR  41   6.619  -2.472  11.372
  312    HA   PRO  42           HA       PRO  42   8.012  -7.167   8.758
  313    HB2  PRO  42           2HB      PRO  42   6.495  -8.803   7.151
  314    HB3  PRO  42           1HB      PRO  42   6.192  -8.562   8.880
  315    HG2  PRO  42           2HG      PRO  42   4.651  -7.546   6.559
  316    HG3  PRO  42           1HG      PRO  42   4.137  -7.749   8.241
  317    HD2  PRO  42           2HD      PRO  42   4.922  -5.319   6.943
  318    HD3  PRO  42           1HD      PRO  42   4.506  -5.520   8.658
  319    H    ARG  43           H        ARG  43   8.738  -5.067   7.006
  320    HA   ARG  43           HA       ARG  43   8.822  -5.855   4.255
  321    HB2  ARG  43           2HB      ARG  43  10.678  -4.235   4.052
  322    HB3  ARG  43           1HB      ARG  43   9.343  -3.564   4.977
  323    HG2  ARG  43           2HG      ARG  43  10.489  -4.141   7.081
  324    HG3  ARG  43           1HG      ARG  43  11.830  -4.821   6.158
  325    HD2  ARG  43           2HD      ARG  43  12.672  -2.770   5.625
  326    HD3  ARG  43           1HD      ARG  43  11.071  -2.057   5.422
  327    HE   ARG  43           HE       ARG  43  11.758  -2.650   8.205
  328   HH11  ARG  43          1HH2      ARG  43  10.206  -0.376   6.559
  329   HH12  ARG  43          2HH2      ARG  43  11.085   0.998   7.141
  330   HH21  ARG  43          1HH1      ARG  43  13.626  -0.893   8.554
  331   HH22  ARG  43          2HH1      ARG  43  13.021   0.706   8.273
  332    H    GLY  44           H        GLY  44  10.906  -6.410   3.107
  333    HA2  GLY  44           2HA      GLY  44  13.171  -7.506   4.217
  334    HA3  GLY  44           1HA      GLY  44  11.988  -8.809   4.295
  335    H    ASP  45           H        ASP  45  13.386  -9.967   2.749
  336    HA   ASP  45           HA       ASP  45  13.503  -8.842   0.010
  337    HB2  ASP  45           2HB      ASP  45  15.470 -10.036   1.096
  338    HB3  ASP  45           1HB      ASP  45  14.532 -11.524   0.970
  339    H    MET  46           H        MET  46  11.925 -11.417   1.833
  340    HA   MET  46           HA       MET  46  10.900 -12.982  -0.250
  341    HB2  MET  46           2HB      MET  46  10.452 -12.744   2.511
  342    HB3  MET  46           1HB      MET  46   8.867 -12.552   1.762
  343    HG2  MET  46           2HG      MET  46   8.811 -14.708   1.030
  344    HG3  MET  46           1HG      MET  46  10.526 -14.712   0.615
  345    HE1  MET  46           3HE      MET  46  10.848 -17.625   2.934
  346    HE2  MET  46           1HE      MET  46  11.507 -16.767   1.533
  347    HE3  MET  46           2HE      MET  46   9.818 -17.270   1.548
  348    HA   PRO  47           HA       PRO  47   7.229  -9.979  -0.669
  349    HB2  PRO  47           2HB      PRO  47   7.308  -7.657   0.792
  350    HB3  PRO  47           1HB      PRO  47   6.593  -9.167   1.380
  351    HG2  PRO  47           2HG      PRO  47   9.155  -7.880   2.167
  352    HG3  PRO  47           1HG      PRO  47   8.156  -9.032   3.069
  353    HD2  PRO  47           2HD      PRO  47  10.548  -9.615   1.627
  354    HD3  PRO  47           1HD      PRO  47   9.442 -10.793   2.357
  355    H    GLY  48           H        GLY  48   6.920  -8.263  -2.136
  356    HA2  GLY  48           2HA      GLY  48   9.128  -6.419  -2.703
  357    HA3  GLY  48           1HA      GLY  48   8.673  -7.522  -4.003
  358    HA   PRO  49           HA       PRO  49   4.732  -4.909  -3.100
  359    HB2  PRO  49           2HB      PRO  49   4.980  -2.960  -1.174
  360    HB3  PRO  49           1HB      PRO  49   4.435  -4.607  -0.839
  361    HG2  PRO  49           2HG      PRO  49   7.093  -3.362  -0.295
  362    HG3  PRO  49           1HG      PRO  49   6.245  -4.641   0.582
  363    HD2  PRO  49           2HD      PRO  49   8.359  -5.080  -1.197
  364    HD3  PRO  49           1HD      PRO  49   7.183  -6.310  -0.692
  365    H    TYR  50           H        TYR  50   4.304  -2.249  -2.942
  366    HA   TYR  50           HA       TYR  50   6.382  -1.094  -4.742
  367    HB2  TYR  50           2HB      TYR  50   3.621  -1.475  -5.203
  368    HB3  TYR  50           1HB      TYR  50   3.842   0.259  -4.948
  369    HD1  TYR  50           1HD      TYR  50   5.756  -2.528  -6.597
  370    HD2  TYR  50           2HD      TYR  50   4.243   1.483  -6.886
  371    HE1  TYR  50           1HE      TYR  50   6.748  -2.316  -8.861
  372    HE2  TYR  50           2HE      TYR  50   5.235   1.695  -9.149
  373    HH   TYR  50           HH       TYR  50   6.621  -1.051 -10.809
  374    H    CYS  51           H        CYS  51   7.457  -0.316  -2.802
  375    HA   CYS  51           HA       CYS  51   6.089   1.731  -1.132
  376    HB2  CYS  51           2HB      CYS  51   8.801   0.424  -1.204
  377    HB3  CYS  51           1HB      CYS  51   8.607   1.984  -0.402
  378    H    CYS  52           H        CYS  52   5.846   3.688  -2.256
  379    HA   CYS  52           HA       CYS  52   8.230   4.617  -3.818
  380    HB2  CYS  52           2HB      CYS  52   5.698   5.869  -4.597
  381    HB3  CYS  52           1HB      CYS  52   6.974   5.203  -5.605
  382    H    GLU  53           H        GLU  53   8.947   6.658  -3.379
  383    HA   GLU  53           HA       GLU  53   7.665   8.032  -1.124
  384    HB2  GLU  53           2HB      GLU  53   9.997   9.206  -2.578
  385    HB3  GLU  53           1HB      GLU  53   9.640   9.192  -0.850
  386    HG2  GLU  53           2HG      GLU  53  10.099   6.739  -0.813
  387    HG3  GLU  53           1HG      GLU  53  10.573   6.833  -2.509
  388    H    SER  54           H        SER  54   6.040   7.948  -3.378
  389    HA   SER  54           HA       SER  54   5.972  10.822  -4.154
  390    HB2  SER  54           2HB      SER  54   4.810   9.209  -6.220
  391    HB3  SER  54           1HB      SER  54   6.193  10.293  -6.334
  392    HG   SER  54           HG       SER  54   7.086   8.380  -6.751
  393    H    ASP  55           H        ASP  55   3.798  11.619  -4.448
  394    HA   ASP  55           HA       ASP  55   1.886  10.371  -2.696
  395    HB2  ASP  55           2HB      ASP  55   1.338  12.506  -4.772
  396    HB3  ASP  55           1HB      ASP  55   0.408  12.170  -3.312
  397    H    LYS  56           H        LYS  56  -0.228   9.599  -3.303
  398    HA   LYS  56           HA       LYS  56  -1.444   7.918  -4.425
  399    HB2  LYS  56           2HB      LYS  56  -2.373   8.736  -6.476
  400    HB3  LYS  56           1HB      LYS  56  -2.071  10.147  -5.462
  401    HG2  LYS  56           2HG      LYS  56   0.021  10.591  -6.637
  402    HG3  LYS  56           1HG      LYS  56  -0.185   9.134  -7.608
  403    HD2  LYS  56           2HD      LYS  56  -2.410  10.140  -8.378
  404    HD3  LYS  56           1HD      LYS  56  -1.860  11.651  -7.654
  405    HE2  LYS  56           2HE      LYS  56   0.227  10.474  -9.291
  406    HE3  LYS  56           1HE      LYS  56  -1.247  10.707 -10.226
  407    HZ1  LYS  56           3HZ      LYS  56  -1.295  13.012  -9.228
  408    HZ2  LYS  56           1HZ      LYS  56  -0.086  12.716 -10.381
  409    HZ3  LYS  56           2HZ      LYS  56   0.304  12.730  -8.727
  410    H    CYS  57           H        CYS  57   1.611   7.558  -4.595
  411    HA   CYS  57           HA       CYS  57   2.327   6.655  -7.189
  412    HB2  CYS  57           2HB      CYS  57   4.249   6.028  -6.159
  413    HB3  CYS  57           1HB      CYS  57   3.538   6.645  -4.674
  414    H    ASN  58           H        ASN  58   0.669   4.949  -4.564
  415    HA   ASN  58           HA       ASN  58   0.451   2.505  -6.108
  416    HB2  ASN  58           2HB      ASN  58  -1.074   1.880  -4.102
  417    HB3  ASN  58           1HB      ASN  58   0.649   2.105  -3.811
  418   HD21  ASN  58          1HD2      ASN  58   0.050   2.658  -1.499
  419   HD22  ASN  58          2HD2      ASN  58  -0.585   4.197  -1.146
  420    H    LEU  59           H        LEU  59  -0.869   4.955  -7.228
  421    HA   LEU  59           HA       LEU  59  -3.677   3.931  -7.219
  422    HB2  LEU  59           2HB      LEU  59  -3.361   6.294  -6.397
  423    HB3  LEU  59           1HB      LEU  59  -2.754   6.712  -7.999
  424    HG   LEU  59           HG       LEU  59  -5.241   7.153  -7.596
  425   HD11  LEU  59          1HD1      LEU  59  -5.704   6.780  -9.836
  426   HD12  LEU  59          2HD1      LEU  59  -4.932   5.194  -9.840
  427   HD13  LEU  59          3HD1      LEU  59  -3.945   6.655  -9.853
  428   HD21  LEU  59          3HD2      LEU  59  -5.704   4.257  -8.153
  429   HD22  LEU  59          1HD2      LEU  59  -6.713   5.404  -7.272
  430   HD23  LEU  59          2HD2      LEU  59  -5.295   4.700  -6.497
  Start of MODEL    4
    1    H1   ARG   1           1HT      ARG   1   2.644  12.761   4.380
    2    H2   ARG   1           2HT      ARG   1   3.882  12.823   3.218
    3    H3   ARG   1           3HT      ARG   1   2.741  11.563   3.185
    4    HA   ARG   1           HA       ARG   1   1.756  14.306   3.015
    5    HB2  ARG   1           2HB      ARG   1   2.071  13.866   0.397
    6    HB3  ARG   1           1HB      ARG   1   3.328  14.641   1.353
    7    HG2  ARG   1           2HG      ARG   1   4.753  12.924   1.052
    8    HG3  ARG   1           1HG      ARG   1   3.524  11.743   1.498
    9    HD2  ARG   1           2HD      ARG   1   2.543  12.160  -0.850
   10    HD3  ARG   1           1HD      ARG   1   4.104  12.893  -1.224
   11    HE   ARG   1           HE       ARG   1   5.022  10.740  -1.247
   12   HH11  ARG   1          1HH2      ARG   1   2.000  10.834   0.412
   13   HH12  ARG   1          2HH2      ARG   1   1.965   9.132   0.715
   14   HH21  ARG   1          1HH1      ARG   1   4.994   8.522  -0.837
   15   HH22  ARG   1          2HH1      ARG   1   3.664   7.839   0.036
   16    H    ILE   2           H        ILE   2   1.059  12.461   0.228
   17    HA   ILE   2           HA       ILE   2  -1.244  11.146   1.618
   18    HB   ILE   2           HB       ILE   2  -1.511  12.526  -1.052
   19   HG12  ILE   2          2HG1      ILE   2  -2.855  13.798   1.194
   20   HG13  ILE   2          1HG1      ILE   2  -1.107  13.755   1.403
   21   HG21  ILE   2          1HG2      ILE   2  -3.793  12.083   0.794
   22   HG22  ILE   2          2HG2      ILE   2  -3.068  10.625   0.120
   23   HG23  ILE   2          3HG2      ILE   2  -3.702  11.870  -0.955
   24   HD11  ILE   2          3HD1      ILE   2  -0.706  15.120  -0.398
   25   HD12  ILE   2          1HD1      ILE   2  -2.321  15.702   0.009
   26   HD13  ILE   2          2HD1      ILE   2  -2.108  14.524  -1.288
   27    H    CYS   3           H        CYS   3  -1.498   9.066   1.033
   28    HA   CYS   3           HA       CYS   3  -0.589   8.308  -1.678
   29    HB2  CYS   3           2HB      CYS   3   0.993   7.596   0.297
   30    HB3  CYS   3           1HB      CYS   3  -0.248   6.380   0.604
   31    H    TYR   4           H        TYR   4  -1.564   5.818  -2.013
   32    HA   TYR   4           HA       TYR   4  -4.442   6.234  -1.595
   33    HB2  TYR   4           2HB      TYR   4  -2.858   4.088  -3.023
   34    HB3  TYR   4           1HB      TYR   4  -4.567   3.894  -2.700
   35    HD1  TYR   4           1HD      TYR   4  -2.054   5.864  -4.549
   36    HD2  TYR   4           2HD      TYR   4  -6.239   5.214  -3.839
   37    HE1  TYR   4           1HE      TYR   4  -2.602   7.208  -6.556
   38    HE2  TYR   4           2HE      TYR   4  -6.787   6.569  -5.843
   39    HH   TYR   4           HH       TYR   4  -4.211   8.073  -7.803
   40    H    ASN   5           H        ASN   5  -5.740   4.910  -0.315
   41    HA   ASN   5           HA       ASN   5  -4.310   3.242   1.694
   42    HB2  ASN   5           2HB      ASN   5  -5.375   5.055   2.823
   43    HB3  ASN   5           1HB      ASN   5  -6.831   4.906   1.846
   44   HD21  ASN   5          1HD2      ASN   5  -5.110   2.118   3.196
   45   HD22  ASN   5          2HD2      ASN   5  -6.334   1.673   4.276
   46    H    HIS   6           H        HIS   6  -6.718   3.425  -0.771
   47    HA   HIS   6           HA       HIS   6  -8.384   1.301  -0.080
   48    HB2  HIS   6           2HB      HIS   6  -9.281   1.568  -2.178
   49    HB3  HIS   6           1HB      HIS   6  -8.296   3.023  -2.149
   50    HD1  HIS   6           1HD      HIS   6  -6.443   3.205  -3.848
   51    HD2  HIS   6           2HD      HIS   6  -7.979  -0.663  -3.612
   52    HE1  HIS   6           1HE      HIS   6  -5.368   1.892  -5.727
   53    H    LEU   7           H        LEU   7  -8.151  -0.842   0.041
   54    HA   LEU   7           HA       LEU   7  -5.593  -2.020  -0.938
   55    HB2  LEU   7           2HB      LEU   7  -6.480  -3.975   0.592
   56    HB3  LEU   7           1HB      LEU   7  -5.734  -2.558   1.327
   57    HG   LEU   7           HG       LEU   7  -8.672  -2.456   0.818
   58   HD11  LEU   7          1HD1      LEU   7  -7.574  -4.655   2.152
   59   HD12  LEU   7          2HD1      LEU   7  -9.245  -4.096   2.257
   60   HD13  LEU   7          3HD1      LEU   7  -8.058  -3.555   3.444
   61   HD21  LEU   7          3HD2      LEU   7  -8.561  -1.224   2.991
   62   HD22  LEU   7          1HD2      LEU   7  -7.514  -0.520   1.760
   63   HD23  LEU   7          2HD2      LEU   7  -6.824  -1.521   3.036
   64    H    GLY   8           H        GLY   8  -5.797  -4.288  -1.778
   65    HA2  GLY   8           2HA      GLY   8  -6.597  -5.583  -3.587
   66    HA3  GLY   8           1HA      GLY   8  -8.024  -5.682  -2.558
   67    H    THR   9           H        THR   9  -9.635  -5.517  -4.113
   68    HA   THR   9           HA       THR   9  -9.592  -3.056  -5.814
   69    HB   THR   9           HB       THR   9 -11.304  -5.422  -6.491
   70    HG1  THR   9           1HG      THR   9  -8.604  -5.182  -7.293
   71   HG21  THR   9          3HG2      THR   9 -11.678  -3.647  -7.952
   72   HG22  THR   9          1HG2      THR   9 -10.429  -4.549  -8.812
   73   HG23  THR   9          2HG2      THR   9 -10.001  -3.109  -7.889
   74    H    LYS  10           H        LYS  10 -10.875  -4.088  -3.045
   75    HA   LYS  10           HA       LYS  10 -13.684  -3.871  -3.278
   76    HB2  LYS  10           2HB      LYS  10 -11.723  -3.914  -1.184
   77    HB3  LYS  10           1HB      LYS  10 -12.868  -2.632  -0.837
   78    HG2  LYS  10           2HG      LYS  10 -14.558  -4.081  -0.428
   79    HG3  LYS  10           1HG      LYS  10 -14.132  -5.096  -1.807
   80    HD2  LYS  10           2HD      LYS  10 -12.571  -6.336  -0.583
   81    HD3  LYS  10           1HD      LYS  10 -12.374  -5.071   0.631
   82    HE2  LYS  10           2HE      LYS  10 -15.057  -6.369   0.295
   83    HE3  LYS  10           1HE      LYS  10 -13.798  -7.214   1.195
   84    HZ1  LYS  10           3HZ      LYS  10 -13.531  -5.019   2.432
   85    HZ2  LYS  10           1HZ      LYS  10 -14.896  -5.958   2.790
   86    HZ3  LYS  10           2HZ      LYS  10 -15.042  -4.601   1.779
   87    HA   PRO  11           HA       PRO  11 -14.337   0.503  -3.757
   88    HB2  PRO  11           2HB      PRO  11 -16.230   1.137  -1.891
   89    HB3  PRO  11           1HB      PRO  11 -16.538   0.115  -3.304
   90    HG2  PRO  11           2HG      PRO  11 -16.370  -0.663  -0.456
   91    HG3  PRO  11           1HG      PRO  11 -17.076  -1.551  -1.814
   92    HD2  PRO  11           2HD      PRO  11 -14.489  -1.951  -0.578
   93    HD3  PRO  11           1HD      PRO  11 -15.217  -2.878  -1.909
   94    HA   PRO  12           HA       PRO  12 -12.588   2.408   0.323
   95    HB2  PRO  12           2HB      PRO  12  -9.928   1.780   0.405
   96    HB3  PRO  12           1HB      PRO  12 -11.174   0.878   1.274
   97    HG2  PRO  12           2HG      PRO  12  -9.695   0.088  -1.196
   98    HG3  PRO  12           1HG      PRO  12 -10.459  -0.929   0.031
   99    HD2  PRO  12           2HD      PRO  12 -11.506  -0.295  -2.509
  100    HD3  PRO  12           1HD      PRO  12 -12.379  -1.054  -1.170
  101    H    THR  13           H        THR  13 -10.391   3.981   0.328
  102    HA   THR  13           HA       THR  13  -9.931   4.910  -2.469
  103    HB   THR  13           HB       THR  13 -11.941   6.081  -1.451
  104    HG1  THR  13           1HG      THR  13 -11.190   8.108  -2.158
  105   HG21  THR  13          3HG2      THR  13 -11.658   7.553   0.362
  106   HG22  THR  13          1HG2      THR  13  -9.902   7.571   0.189
  107   HG23  THR  13          2HG2      THR  13 -10.710   6.143   0.835
  108    H    THR  14           H        THR  14  -8.776   7.388  -1.748
  109    HA   THR  14           HA       THR  14  -6.130   6.517  -0.870
  110    HB   THR  14           HB       THR  14  -5.603   9.000  -1.163
  111    HG1  THR  14           1HG      THR  14  -7.173  10.275  -1.767
  112   HG21  THR  14          3HG2      THR  14  -5.811   8.827  -3.668
  113   HG22  THR  14          1HG2      THR  14  -6.700   7.325  -3.418
  114   HG23  THR  14          2HG2      THR  14  -5.021   7.455  -2.891
  115    H    GLU  15           H        GLU  15  -4.962   7.767   0.812
  116    HA   GLU  15           HA       GLU  15  -6.581   9.172   2.801
  117    HB2  GLU  15           2HB      GLU  15  -6.668   7.625   4.471
  118    HB3  GLU  15           1HB      GLU  15  -6.536   6.478   3.147
  119    HG2  GLU  15           2HG      GLU  15  -4.168   6.215   3.505
  120    HG3  GLU  15           1HG      GLU  15  -4.129   7.571   4.632
  121    H    THR  16           H        THR  16  -5.335  10.696   3.783
  122    HA   THR  16           HA       THR  16  -2.574  10.978   2.930
  123    HB   THR  16           HB       THR  16  -3.868  12.513   5.184
  124    HG1  THR  16           1HG      THR  16  -4.083  13.206   2.461
  125   HG21  THR  16          3HG2      THR  16  -1.952  13.375   3.010
  126   HG22  THR  16          1HG2      THR  16  -1.447  12.842   4.613
  127   HG23  THR  16          2HG2      THR  16  -2.427  14.298   4.436
  128    H    CYS  17           H        CYS  17  -0.723  10.845   4.250
  129    HA   CYS  17           HA       CYS  17  -1.055   9.679   6.963
  130    HB2  CYS  17           2HB      CYS  17   0.977   8.524   5.067
  131    HB3  CYS  17           1HB      CYS  17   0.333   7.823   6.550
  132    H    GLN  18           H        GLN  18   1.558   9.312   7.639
  133    HA   GLN  18           HA       GLN  18   2.589  12.086   7.503
  134    HB2  GLN  18           2HB      GLN  18   2.430  10.976   9.709
  135    HB3  GLN  18           1HB      GLN  18   3.554   9.742   9.154
  136    HG2  GLN  18           2HG      GLN  18   4.681  11.589  10.430
  137    HG3  GLN  18           1HG      GLN  18   5.289  11.394   8.791
  138   HE21  GLN  18          1HE2      GLN  18   4.474  12.955   7.127
  139   HE22  GLN  18          2HE2      GLN  18   3.912  14.483   7.605
  140    H    GLU  19           H        GLU  19   3.630   8.764   6.880
  141    HA   GLU  19           HA       GLU  19   6.276   9.474   6.047
  142    HB2  GLU  19           2HB      GLU  19   4.974   7.113   4.810
  143    HB3  GLU  19           1HB      GLU  19   6.578   7.262   5.515
  144    HG2  GLU  19           2HG      GLU  19   5.687   6.139   7.278
  145    HG3  GLU  19           1HG      GLU  19   4.984   7.699   7.704
  146    H    ASP  20           H        ASP  20   7.036  10.181   4.130
  147    HA   ASP  20           HA       ASP  20   5.074  10.931   2.072
  148    HB2  ASP  20           2HB      ASP  20   7.761  11.307   1.139
  149    HB3  ASP  20           1HB      ASP  20   6.563  12.531   1.539
  150    H    SER  21           H        SER  21   6.541   8.144   2.885
  151    HA   SER  21           HA       SER  21   7.321   7.287   0.201
  152    HB2  SER  21           2HB      SER  21   6.952   5.067   1.969
  153    HB3  SER  21           1HB      SER  21   8.469   5.740   1.386
  154    HG   SER  21           HG       SER  21   8.384   5.855   3.637
  155    H    CYS  22           H        CYS  22   6.158   5.123  -0.544
  156    HA   CYS  22           HA       CYS  22   3.243   5.241   0.131
  157    HB2  CYS  22           2HB      CYS  22   4.626   5.585  -2.481
  158    HB3  CYS  22           1HB      CYS  22   3.210   4.536  -2.491
  159    H    TYR  23           H        TYR  23   2.657   3.122   0.769
  160    HA   TYR  23           HA       TYR  23   4.402   0.998  -0.369
  161    HB2  TYR  23           2HB      TYR  23   4.459  -0.191   1.597
  162    HB3  TYR  23           1HB      TYR  23   4.424   1.437   2.218
  163    HD1  TYR  23           2HD      TYR  23   2.101   2.431   2.850
  164    HD2  TYR  23           1HD      TYR  23   2.852  -1.739   2.202
  165    HE1  TYR  23           2HE      TYR  23   0.058   1.857   4.132
  166    HE2  TYR  23           1HE      TYR  23   0.808  -2.314   3.476
  167    HH   TYR  23           HH       TYR  23  -1.379   0.215   4.670
  168    H    LYS  24           H        LYS  24   3.538  -0.330  -1.650
  169    HA   LYS  24           HA       LYS  24   0.692  -1.078  -1.323
  170    HB2  LYS  24           2HB      LYS  24   0.236  -0.897  -3.667
  171    HB3  LYS  24           1HB      LYS  24   0.954   0.633  -3.171
  172    HG2  LYS  24           2HG      LYS  24   2.564  -1.633  -4.349
  173    HG3  LYS  24           1HG      LYS  24   1.866  -0.338  -5.297
  174    HD2  LYS  24           2HD      LYS  24   3.135   0.955  -3.161
  175    HD3  LYS  24           1HD      LYS  24   4.261  -0.299  -3.676
  176    HE2  LYS  24           2HE      LYS  24   3.947   0.500  -6.043
  177    HE3  LYS  24           1HE      LYS  24   3.012   1.850  -5.403
  178    HZ1  LYS  24           3HZ      LYS  24   5.611   1.991  -5.782
  179    HZ2  LYS  24           1HZ      LYS  24   5.627   1.356  -4.209
  180    HZ3  LYS  24           2HZ      LYS  24   4.834   2.826  -4.523
  181    H    ASN  25           H        ASN  25   0.636  -3.170  -1.051
  182    HA   ASN  25           HA       ASN  25   2.690  -4.882  -2.390
  183    HB2  ASN  25           2HB      ASN  25   2.626  -6.144  -0.082
  184    HB3  ASN  25           1HB      ASN  25   3.585  -4.674  -0.235
  185   HD21  ASN  25          1HD2      ASN  25   2.295  -2.585   0.252
  186   HD22  ASN  25          2HD2      ASN  25   1.216  -2.647   1.546
  187    H    ILE  26           H        ILE  26   2.114  -7.279  -1.972
  188    HA   ILE  26           HA       ILE  26  -0.817  -7.624  -2.409
  189    HB   ILE  26           HB       ILE  26  -0.349  -9.355  -3.903
  190   HG12  ILE  26          2HG1      ILE  26   1.097 -10.620  -2.273
  191   HG13  ILE  26          1HG1      ILE  26   1.681 -10.680  -3.934
  192   HG21  ILE  26          1HG2      ILE  26   1.558  -8.605  -5.329
  193   HG22  ILE  26          2HG2      ILE  26   2.046  -7.507  -4.037
  194   HG23  ILE  26          3HG2      ILE  26   0.498  -7.280  -4.849
  195   HD11  ILE  26          3HD1      ILE  26   3.594 -10.203  -2.584
  196   HD12  ILE  26          1HD1      ILE  26   2.722  -8.974  -1.672
  197   HD13  ILE  26          2HD1      ILE  26   3.151  -8.681  -3.355
  198    H    TRP  27           H        TRP  27   1.475  -7.949  -0.058
  199    HA   TRP  27           HA       TRP  27   0.710 -10.575   0.988
  200    HB2  TRP  27           2HB      TRP  27   2.325  -8.290   2.137
  201    HB3  TRP  27           1HB      TRP  27   2.073  -9.822   2.973
  202    HD1  TRP  27           HD       TRP  27   3.785  -8.328  -0.095
  203    HE1  TRP  27           1HE      TRP  27   5.520 -10.012  -0.984
  204    HE3  TRP  27           3HE      TRP  27   2.743 -12.322   2.907
  205    HZ2  TRP  27           2HZ      TRP  27   6.364 -12.701  -0.478
  206    HZ3  TRP  27           3HZ      TRP  27   4.029 -14.428   2.687
  207    HH2  TRP  27           HH       TRP  27   5.836 -14.623   1.001
  208    H    THR  28           H        THR  28  -1.570 -10.386   1.319
  209    HA   THR  28           HA       THR  28  -2.265  -9.129   3.854
  210    HB   THR  28           HB       THR  28  -2.694  -7.722   1.373
  211    HG1  THR  28           1HG      THR  28  -3.618  -7.030   3.947
  212   HG21  THR  28          3HG2      THR  28  -5.036  -7.219   1.470
  213   HG22  THR  28          1HG2      THR  28  -5.236  -8.122   2.971
  214   HG23  THR  28          2HG2      THR  28  -4.908  -8.976   1.467
  215    H    PHE  29           H        PHE  29  -3.555 -10.598   4.828
  216    HA   PHE  29           HA       PHE  29  -4.851 -12.683   3.201
  217    HB2  PHE  29           2HB      PHE  29  -4.047 -12.341   6.011
  218    HB3  PHE  29           1HB      PHE  29  -5.598 -13.158   5.811
  219    HD1  PHE  29           2HD      PHE  29  -5.565 -14.894   3.699
  220    HD2  PHE  29           1HD      PHE  29  -2.179 -13.722   6.069
  221    HE1  PHE  29           2HE      PHE  29  -4.382 -16.972   3.038
  222    HE2  PHE  29           1HE      PHE  29  -0.996 -15.800   5.407
  223    HZ   PHE  29           HZ       PHE  29  -2.098 -17.424   3.891
  224    H    ASP  30           H        ASP  30  -5.909 -10.355   5.712
  225    HA   ASP  30           HA       ASP  30  -8.642 -10.754   5.673
  226    HB2  ASP  30           2HB      ASP  30  -7.174  -8.904   6.850
  227    HB3  ASP  30           1HB      ASP  30  -7.649  -7.929   5.459
  228    H    ASN  31           H        ASN  31  -6.673  -9.365   3.124
  229    HA   ASN  31           HA       ASN  31  -9.044  -9.467   1.347
  230    HB2  ASN  31           2HB      ASN  31  -7.301  -7.031   1.788
  231    HB3  ASN  31           1HB      ASN  31  -8.327  -7.229   0.366
  232   HD21  ASN  31          1HD2      ASN  31 -10.698  -7.377   0.743
  233   HD22  ASN  31          2HD2      ASN  31 -11.372  -6.739   2.164
  234    H    ILE  32           H        ILE  32  -6.435  -7.738  -0.002
  235    HA   ILE  32           HA       ILE  32  -4.906 -10.113  -0.781
  236    HB   ILE  32           HB       ILE  32  -6.562 -10.386  -2.419
  237   HG12  ILE  32          2HG1      ILE  32  -5.509  -9.502  -4.565
  238   HG13  ILE  32          1HG1      ILE  32  -4.322  -8.703  -3.539
  239   HG21  ILE  32          1HG2      ILE  32  -7.979  -8.779  -3.100
  240   HG22  ILE  32          2HG2      ILE  32  -6.660  -7.715  -3.582
  241   HG23  ILE  32          3HG2      ILE  32  -7.203  -7.741  -1.905
  242   HD11  ILE  32          3HD1      ILE  32  -3.168 -10.620  -3.374
  243   HD12  ILE  32          1HD1      ILE  32  -4.361 -11.428  -4.389
  244   HD13  ILE  32          2HD1      ILE  32  -4.570 -11.397  -2.638
  245    H    ILE  33           H        ILE  33  -5.459  -6.841  -2.133
  246    HA   ILE  33           HA       ILE  33  -2.517  -6.368  -1.877
  247    HB   ILE  33           HB       ILE  33  -4.355  -4.578  -3.437
  248   HG12  ILE  33          2HG1      ILE  33  -4.814  -7.006  -4.034
  249   HG13  ILE  33          1HG1      ILE  33  -4.263  -5.991  -5.366
  250   HG21  ILE  33          1HG2      ILE  33  -1.493  -5.506  -3.794
  251   HG22  ILE  33          2HG2      ILE  33  -2.002  -3.954  -3.129
  252   HG23  ILE  33          3HG2      ILE  33  -2.321  -4.336  -4.822
  253   HD11  ILE  33          3HD1      ILE  33  -2.072  -6.893  -5.306
  254   HD12  ILE  33          1HD1      ILE  33  -3.122  -8.295  -5.100
  255   HD13  ILE  33          2HD1      ILE  33  -2.312  -7.586  -3.703
  256    H    ARG  34           H        ARG  34  -1.864  -4.177  -1.139
  257    HA   ARG  34           HA       ARG  34  -3.996  -2.650   0.231
  258    HB2  ARG  34           2HB      ARG  34  -2.909  -4.374   1.822
  259    HB3  ARG  34           1HB      ARG  34  -1.501  -3.308   1.769
  260    HG2  ARG  34           2HG      ARG  34  -2.680  -1.504   2.717
  261    HG3  ARG  34           1HG      ARG  34  -4.240  -2.197   2.324
  262    HD2  ARG  34           2HD      ARG  34  -4.281  -3.502   4.187
  263    HD3  ARG  34           1HD      ARG  34  -2.567  -3.891   4.062
  264    HE   ARG  34           HE       ARG  34  -2.081  -1.750   5.193
  265   HH11  ARG  34          1HH1      ARG  34  -4.737  -3.504   6.125
  266   HH12  ARG  34          2HH1      ARG  34  -5.533  -2.220   6.973
  267   HH21  ARG  34          1HH2      ARG  34  -3.363   0.233   5.830
  268   HH22  ARG  34          2HH2      ARG  34  -4.753  -0.103   6.807
  269    H    ARG  35           H        ARG  35  -3.726  -0.647  -0.466
  270    HA   ARG  35           HA       ARG  35  -0.971   0.332  -1.040
  271    HB2  ARG  35           2HB      ARG  35  -3.651   1.411  -1.945
  272    HB3  ARG  35           1HB      ARG  35  -2.099   2.105  -2.357
  273    HG2  ARG  35           2HG      ARG  35  -1.434   0.144  -3.569
  274    HG3  ARG  35           1HG      ARG  35  -2.818  -0.766  -2.964
  275    HD2  ARG  35           2HD      ARG  35  -4.234   0.129  -4.500
  276    HD3  ARG  35           1HD      ARG  35  -3.523   1.737  -4.356
  277    HE   ARG  35           HE       ARG  35  -2.035   1.195  -6.127
  278   HH11  ARG  35          1HH2      ARG  35  -4.228  -0.360  -7.340
  279   HH12  ARG  35          2HH2      ARG  35  -3.517  -1.922  -7.575
  280   HH21  ARG  35          1HH1      ARG  35  -0.885  -1.344  -5.390
  281   HH22  ARG  35          2HH1      ARG  35  -1.625  -2.479  -6.469
  282    H    GLY  36           H        GLY  36  -0.114   1.831   0.305
  283    HA2  GLY  36           2HA      GLY  36  -1.856   3.646   1.851
  284    HA3  GLY  36           1HA      GLY  36  -0.885   2.531   2.790
  285    H    CYS  37           H        CYS  37   0.214   4.452   3.664
  286    HA   CYS  37           HA       CYS  37   2.135   5.671   1.717
  287    HB2  CYS  37           2HB      CYS  37   1.554   6.911   4.381
  288    HB3  CYS  37           1HB      CYS  37   2.042   7.684   2.875
  289    H    GLY  38           H        GLY  38   4.248   5.182   2.029
  290    HA2  GLY  38           2HA      GLY  38   6.161   5.116   3.644
  291    HA3  GLY  38           1HA      GLY  38   5.107   4.169   4.694
  292    H    CYS  39           H        CYS  39   6.546   2.384   4.610
  293    HA   CYS  39           HA       CYS  39   6.580   0.956   1.992
  294    HB2  CYS  39           2HB      CYS  39   8.502   0.652   4.327
  295    HB3  CYS  39           1HB      CYS  39   8.579  -0.231   2.801
  296    H    PHE  40           H        PHE  40   6.516  -1.473   2.318
  297    HA   PHE  40           HA       PHE  40   4.202  -2.153   3.888
  298    HB2  PHE  40           2HB      PHE  40   5.324  -4.592   3.417
  299    HB3  PHE  40           1HB      PHE  40   4.343  -3.730   2.236
  300    HD1  PHE  40           2HD      PHE  40   7.773  -4.551   3.294
  301    HD2  PHE  40           1HD      PHE  40   5.323  -2.645   0.334
  302    HE1  PHE  40           2HE      PHE  40   9.745  -4.342   1.797
  303    HE2  PHE  40           1HE      PHE  40   7.288  -2.431  -1.164
  304    HZ   PHE  40           HZ       PHE  40   9.504  -3.282  -0.434
  305    H    THR  41           H        THR  41   4.510  -4.257   5.394
  306    HA   THR  41           HA       THR  41   6.257  -3.280   7.546
  307    HB   THR  41           HB       THR  41   4.435  -5.659   7.780
  308    HG1  THR  41           1HG      THR  41   3.063  -4.151   7.045
  309   HG21  THR  41          3HG2      THR  41   4.593  -3.745   9.959
  310   HG22  THR  41          1HG2      THR  41   6.189  -4.344   9.508
  311   HG23  THR  41          2HG2      THR  41   4.921  -5.479   9.969
  312    HA   PRO  42           HA       PRO  42   8.093  -7.599   7.147
  313    HB2  PRO  42           2HB      PRO  42   7.233  -9.243   5.118
  314    HB3  PRO  42           1HB      PRO  42   6.460  -9.168   6.711
  315    HG2  PRO  42           2HG      PRO  42   5.458  -8.162   4.119
  316    HG3  PRO  42           1HG      PRO  42   4.564  -8.475   5.616
  317    HD2  PRO  42           2HD      PRO  42   5.492  -5.944   4.594
  318    HD3  PRO  42           1HD      PRO  42   4.569  -6.227   6.083
  319    H    ARG  43           H        ARG  43   8.862  -5.253   5.685
  320    HA   ARG  43           HA       ARG  43   9.724  -5.720   3.035
  321    HB2  ARG  43           2HB      ARG  43  10.074  -3.529   3.671
  322    HB3  ARG  43           1HB      ARG  43  10.677  -3.961   5.265
  323    HG2  ARG  43           2HG      ARG  43  12.826  -4.467   4.435
  324    HG3  ARG  43           1HG      ARG  43  12.245  -4.646   2.780
  325    HD2  ARG  43           2HD      ARG  43  13.280  -2.541   2.726
  326    HD3  ARG  43           1HD      ARG  43  11.586  -2.128   3.002
  327    HE   ARG  43           HE       ARG  43  13.003  -2.475   5.501
  328   HH11  ARG  43          1HH1      ARG  43  11.387  -0.331   3.502
  329   HH12  ARG  43          2HH1      ARG  43  12.168   1.096   4.099
  330   HH21  ARG  43          1HH2      ARG  43  14.478  -0.649   6.009
  331   HH22  ARG  43          2HH2      ARG  43  13.922   0.916   5.517
  332    H    GLY  44           H        GLY  44  11.295  -7.005   2.184
  333    HA2  GLY  44           2HA      GLY  44  13.722  -7.683   3.422
  334    HA3  GLY  44           1HA      GLY  44  12.574  -8.960   3.813
  335    H    ASP  45           H        ASP  45  14.042 -10.349   2.500
  336    HA   ASP  45           HA       ASP  45  13.989  -9.844  -0.417
  337    HB2  ASP  45           2HB      ASP  45  15.721 -11.254   1.415
  338    HB3  ASP  45           1HB      ASP  45  15.204 -12.336   0.121
  339    H    MET  46           H        MET  46  12.431 -11.862   1.980
  340    HA   MET  46           HA       MET  46  11.548 -13.939   0.219
  341    HB2  MET  46           2HB      MET  46  11.055 -13.139   2.954
  342    HB3  MET  46           1HB      MET  46   9.550 -13.612   2.167
  343    HG2  MET  46           2HG      MET  46  10.250 -15.787   1.818
  344    HG3  MET  46           1HG      MET  46  11.954 -15.338   1.745
  345    HE1  MET  46           3HE      MET  46  13.287 -16.405   4.881
  346    HE2  MET  46           1HE      MET  46  13.487 -15.678   3.281
  347    HE3  MET  46           2HE      MET  46  12.802 -17.294   3.440
  348    HA   PRO  47           HA       PRO  47   7.645 -11.311  -0.453
  349    HB2  PRO  47           2HB      PRO  47   7.509  -8.864   0.792
  350    HB3  PRO  47           1HB      PRO  47   6.955 -10.367   1.540
  351    HG2  PRO  47           2HG      PRO  47   9.384  -8.764   2.141
  352    HG3  PRO  47           1HG      PRO  47   8.517  -9.914   3.172
  353    HD2  PRO  47           2HD      PRO  47  10.935 -10.395   1.735
  354    HD3  PRO  47           1HD      PRO  47   9.968 -11.591   2.618
  355    H    GLY  48           H        GLY  48   7.184  -9.515  -2.001
  356    HA2  GLY  48           2HA      GLY  48   9.528  -7.879  -2.727
  357    HA3  GLY  48           1HA      GLY  48   8.841  -8.914  -3.970
  358    HA   PRO  49           HA       PRO  49   5.360  -5.797  -3.242
  359    HB2  PRO  49           2HB      PRO  49   5.329  -4.330  -0.936
  360    HB3  PRO  49           1HB      PRO  49   4.614  -5.942  -1.074
  361    HG2  PRO  49           2HG      PRO  49   7.136  -5.140   0.293
  362    HG3  PRO  49           1HG      PRO  49   6.077  -6.516   0.612
  363    HD2  PRO  49           2HD      PRO  49   8.532  -6.587  -0.802
  364    HD3  PRO  49           1HD      PRO  49   7.313  -7.869  -0.710
  365    H    TYR  50           H        TYR  50   5.212  -3.099  -2.735
  366    HA   TYR  50           HA       TYR  50   7.898  -2.061  -3.531
  367    HB2  TYR  50           2HB      TYR  50   5.732  -2.330  -5.237
  368    HB3  TYR  50           1HB      TYR  50   5.692  -0.627  -4.779
  369    HD1  TYR  50           1HD      TYR  50   7.779   0.779  -5.059
  370    HD2  TYR  50           2HD      TYR  50   7.431  -3.189  -6.668
  371    HE1  TYR  50           1HE      TYR  50   9.699   1.220  -6.566
  372    HE2  TYR  50           2HE      TYR  50   9.351  -2.748  -8.175
  373    HH   TYR  50           HH       TYR  50  11.082  -1.333  -8.579
  374    H    CYS  51           H        CYS  51   8.490  -0.100  -2.785
  375    HA   CYS  51           HA       CYS  51   6.553   1.507  -1.122
  376    HB2  CYS  51           2HB      CYS  51   8.540   0.327   0.118
  377    HB3  CYS  51           1HB      CYS  51   9.536   1.514  -0.708
  378    H    CYS  52           H        CYS  52   6.550   3.666  -1.719
  379    HA   CYS  52           HA       CYS  52   8.562   4.535  -3.761
  380    HB2  CYS  52           2HB      CYS  52   6.562   3.994  -4.996
  381    HB3  CYS  52           1HB      CYS  52   5.558   4.877  -3.860
  382    H    GLU  53           H        GLU  53   8.612   6.958  -3.939
  383    HA   GLU  53           HA       GLU  53   7.874   8.186  -1.315
  384    HB2  GLU  53           2HB      GLU  53  10.209   9.082  -3.012
  385    HB3  GLU  53           1HB      GLU  53   9.872   9.459  -1.320
  386    HG2  GLU  53           2HG      GLU  53  10.378   7.247  -0.611
  387    HG3  GLU  53           1HG      GLU  53  10.336   6.627  -2.260
  388    H    SER  54           H        SER  54   5.882   8.417  -2.887
  389    HA   SER  54           HA       SER  54   5.856  11.225  -3.730
  390    HB2  SER  54           2HB      SER  54   4.965   9.220  -5.791
  391    HB3  SER  54           1HB      SER  54   5.402  10.912  -6.011
  392    HG   SER  54           HG       SER  54   7.077   9.594  -6.736
  393    H    ASP  55           H        ASP  55   3.612  11.968  -3.995
  394    HA   ASP  55           HA       ASP  55   1.809  10.539  -2.264
  395    HB2  ASP  55           2HB      ASP  55   0.811  12.599  -4.203
  396    HB3  ASP  55           1HB      ASP  55   0.354  12.326  -2.524
  397    H    LYS  56           H        LYS  56  -0.281   9.640  -2.910
  398    HA   LYS  56           HA       LYS  56  -1.367   7.946  -4.134
  399    HB2  LYS  56           2HB      LYS  56  -2.528   8.919  -5.872
  400    HB3  LYS  56           1HB      LYS  56  -1.845  10.372  -5.163
  401    HG2  LYS  56           2HG      LYS  56   0.170   9.639  -6.855
  402    HG3  LYS  56           1HG      LYS  56  -1.238   9.070  -7.746
  403    HD2  LYS  56           2HD      LYS  56  -1.939  11.171  -8.208
  404    HD3  LYS  56           1HD      LYS  56  -1.617  11.730  -6.567
  405    HE2  LYS  56           2HE      LYS  56   0.591  12.294  -7.047
  406    HE3  LYS  56           1HE      LYS  56   0.694  11.161  -8.395
  407    HZ1  LYS  56           3HZ      LYS  56  -1.207  12.751  -9.293
  408    HZ2  LYS  56           1HZ      LYS  56   0.439  13.058  -9.567
  409    HZ3  LYS  56           2HZ      LYS  56  -0.379  13.870  -8.318
  410    H    CYS  57           H        CYS  57   1.552   7.592  -4.041
  411    HA   CYS  57           HA       CYS  57   2.380   6.819  -6.735
  412    HB2  CYS  57           2HB      CYS  57   3.785   7.563  -4.584
  413    HB3  CYS  57           1HB      CYS  57   3.864   5.818  -4.362
  414    H    ASN  58           H        ASN  58   0.802   5.090  -4.076
  415    HA   ASN  58           HA       ASN  58   1.612   2.474  -4.374
  416    HB2  ASN  58           2HB      ASN  58  -1.333   2.870  -4.616
  417    HB3  ASN  58           1HB      ASN  58  -0.433   1.770  -3.578
  418   HD21  ASN  58          1HD2      ASN  58   0.127   2.486  -1.481
  419   HD22  ASN  58          2HD2      ASN  58  -0.381   3.984  -0.860
  420    H    LEU  59           H        LEU  59  -0.187   4.361  -6.721
  421    HA   LEU  59           HA       LEU  59   0.140   2.082  -8.609
  422    HB2  LEU  59           2HB      LEU  59  -2.028   2.967  -9.680
  423    HB3  LEU  59           1HB      LEU  59  -2.192   2.097  -8.155
  424    HG   LEU  59           HG       LEU  59  -1.696   4.933  -7.718
  425   HD11  LEU  59          1HD1      LEU  59  -3.979   5.644  -8.509
  426   HD12  LEU  59          2HD1      LEU  59  -4.103   4.108  -9.367
  427   HD13  LEU  59          3HD1      LEU  59  -2.856   5.272  -9.816
  428   HD21  LEU  59          3HD2      LEU  59  -3.597   2.787  -6.854
  429   HD22  LEU  59          1HD2      LEU  59  -4.082   4.464  -6.599
  430   HD23  LEU  59          2HD2      LEU  59  -2.595   3.857  -5.872
  Start of MODEL    5
    1    H1   ARG   1           1HT      ARG   1   2.864  12.568   3.776
    2    H2   ARG   1           2HT      ARG   1   2.238  14.132   3.557
    3    H3   ARG   1           3HT      ARG   1   3.894  13.837   3.321
    4    HA   ARG   1           HA       ARG   1   2.751  14.048   1.210
    5    HB2  ARG   1           2HB      ARG   1   4.464  11.984   2.053
    6    HB3  ARG   1           1HB      ARG   1   3.236  11.195   1.062
    7    HG2  ARG   1           2HG      ARG   1   3.740  13.386  -0.457
    8    HG3  ARG   1           1HG      ARG   1   5.320  13.154   0.286
    9    HD2  ARG   1           2HD      ARG   1   5.154  10.705  -0.416
   10    HD3  ARG   1           1HD      ARG   1   3.759  11.159  -1.382
   11    HE   ARG   1           HE       ARG   1   5.719  11.407  -2.832
   12   HH11  ARG   1          1HH2      ARG   1   4.664  14.198  -2.583
   13   HH12  ARG   1          2HH2      ARG   1   6.096  15.096  -2.210
   14   HH21  ARG   1          1HH1      ARG   1   7.933  12.298  -1.304
   15   HH22  ARG   1          2HH1      ARG   1   7.948  14.020  -1.488
   16    H    ILE   2           H        ILE   2   1.678  11.808  -0.176
   17    HA   ILE   2           HA       ILE   2  -0.830  11.182   1.309
   18    HB   ILE   2           HB       ILE   2  -0.735  12.246  -1.524
   19   HG12  ILE   2          2HG1      ILE   2  -2.386  13.808   0.114
   20   HG13  ILE   2          1HG1      ILE   2  -0.951  13.467   1.083
   21   HG21  ILE   2          1HG2      ILE   2  -2.612  10.575  -0.161
   22   HG22  ILE   2          2HG2      ILE   2  -2.773  11.303  -1.759
   23   HG23  ILE   2          3HG2      ILE   2  -3.346  12.170  -0.333
   24   HD11  ILE   2          3HD1      ILE   2  -0.699  14.362  -1.780
   25   HD12  ILE   2          1HD1      ILE   2   0.504  14.445  -0.494
   26   HD13  ILE   2          2HD1      ILE   2  -0.880  15.539  -0.480
   27    H    CYS   3           H        CYS   3  -1.331   9.063   1.114
   28    HA   CYS   3           HA       CYS   3  -0.474   7.742  -1.391
   29    HB2  CYS   3           2HB      CYS   3  -0.066   6.505   1.348
   30    HB3  CYS   3           1HB      CYS   3   0.369   5.780  -0.195
   31    H    TYR   4           H        TYR   4  -1.593   5.488  -1.587
   32    HA   TYR   4           HA       TYR   4  -4.420   5.957  -1.007
   33    HB2  TYR   4           2HB      TYR   4  -2.946   3.766  -2.460
   34    HB3  TYR   4           1HB      TYR   4  -4.673   3.664  -2.134
   35    HD1  TYR   4           2HD      TYR   4  -6.203   5.492  -2.958
   36    HD2  TYR   4           1HD      TYR   4  -2.105   5.177  -4.198
   37    HE1  TYR   4           2HE      TYR   4  -6.670   6.974  -4.889
   38    HE2  TYR   4           1HE      TYR   4  -2.572   6.660  -6.122
   39    HH   TYR   4           HH       TYR   4  -4.072   8.037  -7.063
   40    H    ASN   5           H        ASN   5  -5.723   4.675   0.354
   41    HA   ASN   5           HA       ASN   5  -4.176   3.114   2.368
   42    HB2  ASN   5           2HB      ASN   5  -5.004   4.807   3.650
   43    HB3  ASN   5           1HB      ASN   5  -6.355   5.113   2.564
   44   HD21  ASN   5          1HD2      ASN   5  -5.450   2.032   4.149
   45   HD22  ASN   5          2HD2      ASN   5  -6.919   1.848   4.963
   46    H    HIS   6           H        HIS   6  -7.121   3.024   0.341
   47    HA   HIS   6           HA       HIS   6  -8.118   0.714   1.747
   48    HB2  HIS   6           2HB      HIS   6  -9.914   1.665   0.789
   49    HB3  HIS   6           1HB      HIS   6  -9.030   2.220  -0.603
   50    HD1  HIS   6           1HD      HIS   6 -10.330  -1.046   0.842
   51    HD2  HIS   6           2HD      HIS   6  -9.519   0.659  -2.874
   52    HE1  HIS   6           1HE      HIS   6 -11.157  -2.689  -0.897
   53    H    LEU   7           H        LEU   7  -8.407  -1.415   0.954
   54    HA   LEU   7           HA       LEU   7  -5.912  -2.430  -0.176
   55    HB2  LEU   7           2HB      LEU   7  -7.073  -4.674   0.345
   56    HB3  LEU   7           1HB      LEU   7  -6.670  -3.628   1.707
   57    HG   LEU   7           HG       LEU   7  -9.288  -3.012   0.566
   58   HD11  LEU   7          1HD1      LEU   7  -8.750  -5.788   1.656
   59   HD12  LEU   7          2HD1      LEU   7  -9.400  -5.378   0.069
   60   HD13  LEU   7          3HD1      LEU   7 -10.361  -5.084   1.518
   61   HD21  LEU   7          3HD2      LEU   7  -9.594  -3.810   3.198
   62   HD22  LEU   7          1HD2      LEU   7  -9.217  -2.170   2.672
   63   HD23  LEU   7          2HD2      LEU   7  -7.919  -3.262   3.154
   64    H    GLY   8           H        GLY   8  -5.952  -4.250  -1.675
   65    HA2  GLY   8           2HA      GLY   8  -6.530  -5.341  -3.651
   66    HA3  GLY   8           1HA      GLY   8  -8.133  -4.624  -3.533
   67    H    THR   9           H        THR   9  -7.445  -4.587  -6.002
   68    HA   THR   9           HA       THR   9  -5.762  -2.259  -6.677
   69    HB   THR   9           HB       THR   9  -7.208  -4.302  -8.381
   70    HG1  THR   9           1HG      THR   9  -4.737  -4.444  -8.867
   71   HG21  THR   9          3HG2      THR   9  -5.319  -2.101  -9.258
   72   HG22  THR   9          1HG2      THR   9  -7.070  -2.050  -9.464
   73   HG23  THR   9          2HG2      THR   9  -6.120  -3.280 -10.299
   74    H    LYS  10           H        LYS  10  -9.124  -3.053  -6.348
   75    HA   LYS  10           HA       LYS  10 -10.386  -1.241  -8.079
   76    HB2  LYS  10           2HB      LYS  10 -11.353  -1.308  -5.242
   77    HB3  LYS  10           1HB      LYS  10 -12.272  -1.448  -6.737
   78    HG2  LYS  10           2HG      LYS  10 -10.918  -3.705  -6.992
   79    HG3  LYS  10           1HG      LYS  10 -10.776  -3.561  -5.240
   80    HD2  LYS  10           2HD      LYS  10 -13.347  -3.593  -6.846
   81    HD3  LYS  10           1HD      LYS  10 -12.772  -4.851  -5.752
   82    HE2  LYS  10           2HE      LYS  10 -12.876  -3.232  -3.868
   83    HE3  LYS  10           1HE      LYS  10 -13.522  -2.017  -4.972
   84    HZ1  LYS  10           3HZ      LYS  10 -15.479  -3.198  -5.258
   85    HZ2  LYS  10           1HZ      LYS  10 -15.158  -3.402  -3.604
   86    HZ3  LYS  10           2HZ      LYS  10 -14.812  -4.656  -4.696
   87    HA   PRO  11           HA       PRO  11  -9.255   2.779  -6.731
   88    HB2  PRO  11           2HB      PRO  11 -11.643   4.144  -6.600
   89    HB3  PRO  11           1HB      PRO  11 -10.833   3.710  -8.115
   90    HG2  PRO  11           2HG      PRO  11 -13.237   2.473  -6.848
   91    HG3  PRO  11           1HG      PRO  11 -12.792   2.563  -8.561
   92    HD2  PRO  11           2HD      PRO  11 -12.500   0.303  -6.916
   93    HD3  PRO  11           1HD      PRO  11 -11.702   0.540  -8.485
   94    HA   PRO  12           HA       PRO  12 -10.037   2.339  -2.299
   95    HB2  PRO  12           2HB      PRO  12  -7.499   3.086  -1.575
   96    HB3  PRO  12           1HB      PRO  12  -7.914   1.449  -2.107
   97    HG2  PRO  12           2HG      PRO  12  -6.374   3.520  -3.513
   98    HG3  PRO  12           1HG      PRO  12  -6.422   1.781  -3.803
   99    HD2  PRO  12           2HD      PRO  12  -7.793   3.833  -5.296
  100    HD3  PRO  12           1HD      PRO  12  -7.860   2.080  -5.553
  101    H    THR  13           H        THR  13  -9.089   4.030  -0.429
  102    HA   THR  13           HA       THR  13  -9.840   6.744  -1.454
  103    HB   THR  13           HB       THR  13 -10.674   7.245   0.752
  104    HG1  THR  13           1HG      THR  13  -9.414   4.804   1.402
  105   HG21  THR  13          3HG2      THR  13 -11.495   4.450  -0.091
  106   HG22  THR  13          1HG2      THR  13 -12.215   5.962  -0.645
  107   HG23  THR  13          2HG2      THR  13 -12.394   5.465   1.037
  108    H    THR  14           H        THR  14  -8.050   8.021  -1.636
  109    HA   THR  14           HA       THR  14  -5.504   7.345  -0.708
  110    HB   THR  14           HB       THR  14  -5.073   9.899  -0.788
  111    HG1  THR  14           1HG      THR  14  -7.394  10.018  -2.297
  112   HG21  THR  14          3HG2      THR  14  -6.186   8.655  -3.296
  113   HG22  THR  14          1HG2      THR  14  -4.679   8.101  -2.566
  114   HG23  THR  14          2HG2      THR  14  -4.823   9.765  -3.133
  115    H    GLU  15           H        GLU  15  -4.247   8.093   1.021
  116    HA   GLU  15           HA       GLU  15  -5.717   9.212   3.355
  117    HB2  GLU  15           2HB      GLU  15  -5.420   6.589   3.285
  118    HB3  GLU  15           1HB      GLU  15  -3.772   6.965   3.781
  119    HG2  GLU  15           2HG      GLU  15  -5.293   6.566   5.718
  120    HG3  GLU  15           1HG      GLU  15  -4.604   8.192   5.722
  121    H    THR  16           H        THR  16  -4.594  11.062   3.694
  122    HA   THR  16           HA       THR  16  -1.895  11.450   2.822
  123    HB   THR  16           HB       THR  16  -2.412  13.305   4.889
  124    HG1  THR  16           1HG      THR  16  -4.704  13.227   3.319
  125   HG21  THR  16          3HG2      THR  16  -2.965  14.800   2.908
  126   HG22  THR  16          1HG2      THR  16  -2.804  13.366   1.894
  127   HG23  THR  16          2HG2      THR  16  -1.419  13.956   2.814
  128    H    CYS  17           H        CYS  17   0.001  11.089   3.844
  129    HA   CYS  17           HA       CYS  17  -0.007  10.482   6.761
  130    HB2  CYS  17           2HB      CYS  17   1.286   8.813   4.581
  131    HB3  CYS  17           1HB      CYS  17   1.610   8.616   6.304
  132    H    GLN  18           H        GLN  18   2.482  10.352   7.437
  133    HA   GLN  18           HA       GLN  18   3.682  12.828   6.382
  134    HB2  GLN  18           2HB      GLN  18   3.726  12.376   8.813
  135    HB3  GLN  18           1HB      GLN  18   4.708  10.947   8.518
  136    HG2  GLN  18           2HG      GLN  18   6.076  12.976   9.096
  137    HG3  GLN  18           1HG      GLN  18   6.474  12.273   7.536
  138   HE21  GLN  18          1HE2      GLN  18   5.577  13.369   5.571
  139   HE22  GLN  18          2HE2      GLN  18   5.148  15.009   5.632
  140    H    GLU  19           H        GLU  19   4.341   9.386   6.512
  141    HA   GLU  19           HA       GLU  19   6.959   9.552   5.355
  142    HB2  GLU  19           2HB      GLU  19   5.378   7.163   4.623
  143    HB3  GLU  19           1HB      GLU  19   6.972   7.270   5.364
  144    HG2  GLU  19           2HG      GLU  19   4.287   7.539   6.732
  145    HG3  GLU  19           1HG      GLU  19   5.535   6.329   7.029
  146    H    ASP  20           H        ASP  20   7.515  10.001   3.310
  147    HA   ASP  20           HA       ASP  20   5.433  10.583   1.363
  148    HB2  ASP  20           2HB      ASP  20   7.889  10.499  -0.028
  149    HB3  ASP  20           1HB      ASP  20   7.026  11.930   0.521
  150    H    SER  21           H        SER  21   7.075   7.815   2.324
  151    HA   SER  21           HA       SER  21   7.065   6.489  -0.270
  152    HB2  SER  21           2HB      SER  21   7.129   4.788   2.123
  153    HB3  SER  21           1HB      SER  21   8.270   4.885   0.785
  154    HG   SER  21           HG       SER  21   9.347   6.448   1.797
  155    H    CYS  22           H        CYS  22   5.413   5.119  -1.024
  156    HA   CYS  22           HA       CYS  22   3.017   4.861   0.742
  157    HB2  CYS  22           2HB      CYS  22   3.036   4.849  -2.291
  158    HB3  CYS  22           1HB      CYS  22   1.631   4.919  -1.235
  159    H    TYR  23           H        TYR  23   2.847   2.746   1.379
  160    HA   TYR  23           HA       TYR  23   4.134   0.773  -0.415
  161    HB2  TYR  23           2HB      TYR  23   4.631  -0.598   1.379
  162    HB3  TYR  23           1HB      TYR  23   4.847   0.995   2.064
  163    HD1  TYR  23           1HD      TYR  23   2.151   1.897   2.753
  164    HD2  TYR  23           2HD      TYR  23   3.856  -2.030   2.974
  165    HE1  TYR  23           1HE      TYR  23   0.563   1.312   4.561
  166    HE2  TYR  23           2HE      TYR  23   2.257  -2.623   4.775
  167    HH   TYR  23           HH       TYR  23  -0.125  -1.750   5.481
  168    H    LYS  24           H        LYS  24   3.065  -0.613  -1.440
  169    HA   LYS  24           HA       LYS  24   0.275  -1.296  -0.608
  170    HB2  LYS  24           2HB      LYS  24  -0.166   0.049  -2.434
  171    HB3  LYS  24           1HB      LYS  24   1.300  -0.398  -3.279
  172    HG2  LYS  24           2HG      LYS  24   0.008  -2.800  -3.202
  173    HG3  LYS  24           1HG      LYS  24  -1.357  -1.687  -3.262
  174    HD2  LYS  24           2HD      LYS  24   0.928  -1.151  -5.098
  175    HD3  LYS  24           1HD      LYS  24  -0.123  -2.514  -5.487
  176    HE2  LYS  24           2HE      LYS  24  -1.941  -0.555  -4.834
  177    HE3  LYS  24           1HE      LYS  24  -0.669   0.373  -5.627
  178    HZ1  LYS  24           3HZ      LYS  24  -2.103  -0.336  -7.323
  179    HZ2  LYS  24           1HZ      LYS  24  -2.205  -1.914  -6.710
  180    HZ3  LYS  24           2HZ      LYS  24  -0.760  -1.371  -7.421
  181    H    ASN  25           H        ASN  25   0.458  -3.352   0.036
  182    HA   ASN  25           HA       ASN  25   2.287  -5.139  -1.488
  183    HB2  ASN  25           2HB      ASN  25   2.023  -6.388   0.914
  184    HB3  ASN  25           1HB      ASN  25   3.268  -5.201   0.574
  185   HD21  ASN  25          1HD2      ASN  25   2.345  -2.777   0.906
  186   HD22  ASN  25          2HD2      ASN  25   1.468  -2.555   2.339
  187    H    ILE  26           H        ILE  26   1.680  -7.484  -1.370
  188    HA   ILE  26           HA       ILE  26  -1.269  -7.749  -1.736
  189    HB   ILE  26           HB       ILE  26  -0.852  -9.485  -3.305
  190   HG12  ILE  26          2HG1      ILE  26   0.994 -10.542  -1.883
  191   HG13  ILE  26          1HG1      ILE  26   1.229 -10.605  -3.624
  192   HG21  ILE  26          1HG2      ILE  26  -0.182  -8.071  -4.913
  193   HG22  ILE  26          2HG2      ILE  26   1.451  -7.995  -4.256
  194   HG23  ILE  26          3HG2      ILE  26   0.201  -6.917  -3.637
  195   HD11  ILE  26          3HD1      ILE  26   2.718  -9.047  -1.567
  196   HD12  ILE  26          1HD1      ILE  26   2.483  -8.276  -3.133
  197   HD13  ILE  26          2HD1      ILE  26   3.307  -9.828  -3.031
  198    H    TRP  27           H        TRP  27   1.541  -9.207  -0.174
  199    HA   TRP  27           HA       TRP  27   0.083 -11.488   0.872
  200    HB2  TRP  27           2HB      TRP  27   2.148 -11.020   2.688
  201    HB3  TRP  27           1HB      TRP  27   2.213 -12.113   1.309
  202    HD1  TRP  27           HD       TRP  27   3.726 -11.454  -0.691
  203    HE1  TRP  27           1HE      TRP  27   5.320  -9.475  -1.159
  204    HE3  TRP  27           3HE      TRP  27   2.475  -8.369   3.182
  205    HZ2  TRP  27           2HZ      TRP  27   5.960  -6.943  -0.050
  206    HZ3  TRP  27           3HZ      TRP  27   3.601  -6.177   3.450
  207    HH2  TRP  27           HH       TRP  27   5.344  -5.463   1.836
  208    H    THR  28           H        THR  28  -1.411 -11.431   2.473
  209    HA   THR  28           HA       THR  28  -1.053  -9.633   4.755
  210    HB   THR  28           HB       THR  28  -2.092  -8.210   2.977
  211    HG1  THR  28           1HG      THR  28  -4.098  -7.890   4.450
  212   HG21  THR  28          3HG2      THR  28  -3.679  -9.152   1.698
  213   HG22  THR  28          1HG2      THR  28  -4.756  -9.113   3.095
  214   HG23  THR  28          2HG2      THR  28  -3.778 -10.546   2.775
  215    H    PHE  29           H        PHE  29  -4.152  -9.865   5.035
  216    HA   PHE  29           HA       PHE  29  -4.225 -12.008   6.823
  217    HB2  PHE  29           2HB      PHE  29  -5.990 -10.256   6.606
  218    HB3  PHE  29           1HB      PHE  29  -6.548 -11.056   5.138
  219    HD1  PHE  29           1HD      PHE  29  -5.223 -12.823   8.127
  220    HD2  PHE  29           2HD      PHE  29  -8.732 -11.707   5.910
  221    HE1  PHE  29           1HE      PHE  29  -6.583 -14.386   9.488
  222    HE2  PHE  29           2HE      PHE  29 -10.089 -13.271   7.272
  223    HZ   PHE  29           HZ       PHE  29  -9.014 -14.611   9.062
  224    H    ASP  30           H        ASP  30  -5.570 -12.114   3.505
  225    HA   ASP  30           HA       ASP  30  -4.792 -14.993   3.470
  226    HB2  ASP  30           2HB      ASP  30  -7.428 -13.866   2.479
  227    HB3  ASP  30           1HB      ASP  30  -6.922 -15.554   2.391
  228    H    ASN  31           H        ASN  31  -6.485 -12.873   1.152
  229    HA   ASN  31           HA       ASN  31  -4.097 -12.880  -0.588
  230    HB2  ASN  31           2HB      ASN  31  -5.599 -13.747  -2.511
  231    HB3  ASN  31           1HB      ASN  31  -4.968 -14.923  -1.358
  232   HD21  ASN  31          1HD2      ASN  31  -6.471 -15.970   0.071
  233   HD22  ASN  31          2HD2      ASN  31  -8.151 -15.763  -0.060
  234    H    ILE  32           H        ILE  32  -4.436 -10.529  -0.075
  235    HA   ILE  32           HA       ILE  32  -6.109  -9.330  -2.185
  236    HB   ILE  32           HB       ILE  32  -6.978  -7.616  -0.478
  237   HG12  ILE  32          2HG1      ILE  32  -5.395  -8.530   1.317
  238   HG13  ILE  32          1HG1      ILE  32  -7.058  -8.233   1.816
  239   HG21  ILE  32          1HG2      ILE  32  -8.912  -9.031   0.080
  240   HG22  ILE  32          2HG2      ILE  32  -7.984 -10.473  -0.331
  241   HG23  ILE  32          3HG2      ILE  32  -8.401  -9.305  -1.586
  242   HD11  ILE  32          3HD1      ILE  32  -5.595 -10.697   1.900
  243   HD12  ILE  32          1HD1      ILE  32  -6.940 -10.888   0.780
  244   HD13  ILE  32          2HD1      ILE  32  -7.242 -10.385   2.441
  245    H    ILE  33           H        ILE  33  -5.762  -6.711  -1.786
  246    HA   ILE  33           HA       ILE  33  -2.813  -6.408  -1.415
  247    HB   ILE  33           HB       ILE  33  -4.435  -4.591  -3.164
  248   HG12  ILE  33          2HG1      ILE  33  -4.900  -6.963  -3.809
  249   HG13  ILE  33          1HG1      ILE  33  -4.057  -6.055  -5.063
  250   HG21  ILE  33          1HG2      ILE  33  -1.563  -5.560  -3.282
  251   HG22  ILE  33          2HG2      ILE  33  -2.084  -4.030  -2.576
  252   HG23  ILE  33          3HG2      ILE  33  -2.286  -4.319  -4.304
  253   HD11  ILE  33          3HD1      ILE  33  -2.545  -7.737  -5.061
  254   HD12  ILE  33          1HD1      ILE  33  -3.171  -8.398  -3.550
  255   HD13  ILE  33          2HD1      ILE  33  -1.992  -7.086  -3.517
  256    H    ARG  34           H        ARG  34  -2.109  -4.351  -0.459
  257    HA   ARG  34           HA       ARG  34  -4.337  -2.719   0.619
  258    HB2  ARG  34           2HB      ARG  34  -3.400  -4.437   2.337
  259    HB3  ARG  34           1HB      ARG  34  -2.056  -3.294   2.454
  260    HG2  ARG  34           2HG      ARG  34  -3.444  -1.542   3.208
  261    HG3  ARG  34           1HG      ARG  34  -4.890  -2.306   2.577
  262    HD2  ARG  34           2HD      ARG  34  -5.081  -2.708   4.874
  263    HD3  ARG  34           1HD      ARG  34  -4.354  -4.202   4.287
  264    HE   ARG  34           HE       ARG  34  -2.118  -3.071   4.972
  265   HH11  ARG  34          1HH2      ARG  34  -4.113  -4.210   7.122
  266   HH12  ARG  34          2HH2      ARG  34  -3.926  -3.001   8.349
  267   HH21  ARG  34          1HH1      ARG  34  -2.329  -0.743   6.262
  268   HH22  ARG  34          2HH1      ARG  34  -2.918  -1.042   7.862
  269    H    ARG  35           H        ARG  35  -3.990  -0.854  -0.266
  270    HA   ARG  35           HA       ARG  35  -1.302   0.202  -0.777
  271    HB2  ARG  35           2HB      ARG  35  -4.026   1.455  -1.144
  272    HB3  ARG  35           1HB      ARG  35  -2.524   2.075  -1.798
  273    HG2  ARG  35           2HG      ARG  35  -2.584   0.621  -3.538
  274    HG3  ARG  35           1HG      ARG  35  -2.951  -0.735  -2.476
  275    HD2  ARG  35           2HD      ARG  35  -5.104  -0.682  -3.116
  276    HD3  ARG  35           1HD      ARG  35  -5.236   1.000  -2.602
  277    HE   ARG  35           HE       ARG  35  -4.767   1.691  -4.853
  278   HH11  ARG  35          1HH1      ARG  35  -3.546  -1.435  -4.569
  279   HH12  ARG  35          2HH1      ARG  35  -4.012  -1.942  -6.157
  280   HH21  ARG  35          1HH2      ARG  35  -5.857   0.923  -6.811
  281   HH22  ARG  35          2HH2      ARG  35  -5.331  -0.608  -7.427
  282    H    GLY  36           H        GLY  36  -0.241   1.286   0.821
  283    HA2  GLY  36           2HA      GLY  36  -1.843   2.944   2.707
  284    HA3  GLY  36           1HA      GLY  36  -0.670   1.802   3.346
  285    H    CYS  37           H        CYS  37   0.392   3.697   4.298
  286    HA   CYS  37           HA       CYS  37   2.114   5.141   2.331
  287    HB2  CYS  37           2HB      CYS  37   2.080   6.938   4.278
  288    HB3  CYS  37           1HB      CYS  37   0.780   6.898   3.088
  289    H    GLY  38           H        GLY  38   4.269   4.719   2.717
  290    HA2  GLY  38           2HA      GLY  38   6.186   4.505   4.174
  291    HA3  GLY  38           1HA      GLY  38   5.093   4.162   5.522
  292    H    CYS  39           H        CYS  39   7.376   2.543   4.356
  293    HA   CYS  39           HA       CYS  39   6.243   0.351   2.934
  294    HB2  CYS  39           2HB      CYS  39   8.754   0.609   4.529
  295    HB3  CYS  39           1HB      CYS  39   8.302  -0.906   3.768
  296    H    PHE  40           H        PHE  40   5.936  -1.735   3.604
  297    HA   PHE  40           HA       PHE  40   4.216  -2.063   5.858
  298    HB2  PHE  40           2HB      PHE  40   4.446  -4.556   5.284
  299    HB3  PHE  40           1HB      PHE  40   3.830  -3.529   3.997
  300    HD1  PHE  40           1HD      PHE  40   5.667  -2.539   2.345
  301    HD2  PHE  40           2HD      PHE  40   6.238  -5.966   4.860
  302    HE1  PHE  40           1HE      PHE  40   7.598  -3.210   0.982
  303    HE2  PHE  40           2HE      PHE  40   8.147  -6.664   3.452
  304    HZ   PHE  40           HZ       PHE  40   8.840  -5.289   1.519
  305    H    THR  41           H        THR  41   4.678  -3.879   7.526
  306    HA   THR  41           HA       THR  41   7.021  -3.097   8.993
  307    HB   THR  41           HB       THR  41   5.587  -5.596   9.722
  308    HG1  THR  41           1HG      THR  41   4.448  -3.044  10.115
  309   HG21  THR  41          3HG2      THR  41   6.687  -3.155  11.108
  310   HG22  THR  41          1HG2      THR  41   7.206  -4.831  11.275
  311   HG23  THR  41          2HG2      THR  41   5.658  -4.318  11.943
  312    HA   PRO  42           HA       PRO  42   8.680  -7.441   8.014
  313    HB2  PRO  42           2HB      PRO  42   7.421  -8.866   6.024
  314    HB3  PRO  42           1HB      PRO  42   6.995  -8.969   7.741
  315    HG2  PRO  42           2HG      PRO  42   5.532  -7.623   5.528
  316    HG3  PRO  42           1HG      PRO  42   4.913  -8.237   7.069
  317    HD2  PRO  42           2HD      PRO  42   5.480  -5.527   6.431
  318    HD3  PRO  42           1HD      PRO  42   5.089  -6.157   8.040
  319    H    ARG  43           H        ARG  43   9.280  -4.992   6.710
  320    HA   ARG  43           HA       ARG  43   9.646  -5.039   3.930
  321    HB2  ARG  43           2HB      ARG  43  10.256  -3.029   4.958
  322    HB3  ARG  43           1HB      ARG  43  11.235  -3.829   6.180
  323    HG2  ARG  43           2HG      ARG  43  12.960  -4.330   4.569
  324    HG3  ARG  43           1HG      ARG  43  11.936  -3.804   3.232
  325    HD2  ARG  43           2HD      ARG  43  12.352  -1.594   3.612
  326    HD3  ARG  43           1HD      ARG  43  12.347  -1.793   5.364
  327    HE   ARG  43           HE       ARG  43  14.691  -1.675   3.773
  328   HH11  ARG  43          1HH1      ARG  43  14.856  -4.578   4.215
  329   HH12  ARG  43          2HH1      ARG  43  15.635  -4.698   5.757
  330   HH21  ARG  43          1HH2      ARG  43  15.006  -1.401   6.628
  331   HH22  ARG  43          2HH2      ARG  43  15.717  -2.901   7.124
  332    H    GLY  44           H        GLY  44  11.368  -5.765   2.601
  333    HA2  GLY  44           2HA      GLY  44  13.737  -6.972   3.285
  334    HA3  GLY  44           1HA      GLY  44  12.547  -8.258   3.470
  335    H    ASP  45           H        ASP  45  14.171  -8.987   1.612
  336    HA   ASP  45           HA       ASP  45  13.491  -7.844  -1.017
  337    HB2  ASP  45           2HB      ASP  45  15.786  -8.508  -0.724
  338    HB3  ASP  45           1HB      ASP  45  15.309 -10.103  -0.144
  339    H    MET  46           H        MET  46  12.820 -10.753   0.880
  340    HA   MET  46           HA       MET  46  11.746 -12.477  -0.995
  341    HB2  MET  46           2HB      MET  46  11.570 -12.174   1.806
  342    HB3  MET  46           1HB      MET  46   9.914 -12.349   1.221
  343    HG2  MET  46           2HG      MET  46  12.161 -14.190   0.369
  344    HG3  MET  46           1HG      MET  46  11.115 -14.530   1.746
  345    HE1  MET  46           3HE      MET  46   9.068 -15.038   1.886
  346    HE2  MET  46           1HE      MET  46   8.059 -15.826   0.665
  347    HE3  MET  46           2HE      MET  46   7.956 -14.084   0.908
  348    HA   PRO  47           HA       PRO  47   7.607 -10.112  -0.981
  349    HB2  PRO  47           2HB      PRO  47   7.538  -7.715   0.381
  350    HB3  PRO  47           1HB      PRO  47   7.119  -9.278   1.094
  351    HG2  PRO  47           2HG      PRO  47   9.536  -7.606   1.509
  352    HG3  PRO  47           1HG      PRO  47   8.847  -8.856   2.558
  353    HD2  PRO  47           2HD      PRO  47  11.091  -9.127   0.824
  354    HD3  PRO  47           1HD      PRO  47  10.297 -10.427   1.729
  355    H    GLY  48           H        GLY  48   6.878  -8.664  -2.543
  356    HA2  GLY  48           2HA      GLY  48   8.769  -6.616  -3.541
  357    HA3  GLY  48           1HA      GLY  48   8.089  -7.780  -4.675
  358    HA   PRO  49           HA       PRO  49   4.330  -5.264  -3.115
  359    HB2  PRO  49           2HB      PRO  49   4.767  -3.454  -1.084
  360    HB3  PRO  49           1HB      PRO  49   4.380  -5.159  -0.821
  361    HG2  PRO  49           2HG      PRO  49   6.981  -3.769  -0.528
  362    HG3  PRO  49           1HG      PRO  49   6.374  -5.211   0.298
  363    HD2  PRO  49           2HD      PRO  49   8.208  -5.189  -1.850
  364    HD3  PRO  49           1HD      PRO  49   7.340  -6.604  -1.224
  365    H    TYR  50           H        TYR  50   4.076  -2.467  -2.503
  366    HA   TYR  50           HA       TYR  50   5.695  -1.275  -4.715
  367    HB2  TYR  50           2HB      TYR  50   2.975  -1.668  -4.754
  368    HB3  TYR  50           1HB      TYR  50   3.099  -0.006  -4.176
  369    HD1  TYR  50           2HD      TYR  50   5.619   0.856  -5.494
  370    HD2  TYR  50           1HD      TYR  50   2.308  -1.417  -7.021
  371    HE1  TYR  50           2HE      TYR  50   6.157   1.616  -7.791
  372    HE2  TYR  50           1HE      TYR  50   2.846  -0.656  -9.320
  373    HH   TYR  50           HH       TYR  50   5.796   1.014 -10.054
  374    H    CYS  51           H        CYS  51   7.099  -0.755  -2.737
  375    HA   CYS  51           HA       CYS  51   6.136   1.443  -0.988
  376    HB2  CYS  51           2HB      CYS  51   8.606  -0.227  -1.255
  377    HB3  CYS  51           1HB      CYS  51   8.800   1.402  -0.608
  378    H    CYS  52           H        CYS  52   6.050   3.468  -1.982
  379    HA   CYS  52           HA       CYS  52   8.416   4.283  -3.594
  380    HB2  CYS  52           2HB      CYS  52   6.243   5.540  -4.860
  381    HB3  CYS  52           1HB      CYS  52   7.291   4.305  -5.534
  382    H    GLU  53           H        GLU  53   8.941   6.439  -3.397
  383    HA   GLU  53           HA       GLU  53   7.588   7.888  -1.243
  384    HB2  GLU  53           2HB      GLU  53   9.754   9.141  -2.860
  385    HB3  GLU  53           1HB      GLU  53   9.454   9.205  -1.122
  386    HG2  GLU  53           2HG      GLU  53  10.056   6.746  -1.026
  387    HG3  GLU  53           1HG      GLU  53  10.605   6.893  -2.695
  388    H    SER  54           H        SER  54   6.200   7.421  -3.851
  389    HA   SER  54           HA       SER  54   5.825  10.253  -4.704
  390    HB2  SER  54           2HB      SER  54   4.491   8.262  -6.357
  391    HB3  SER  54           1HB      SER  54   5.658   9.495  -6.827
  392    HG   SER  54           HG       SER  54   6.029   6.880  -6.565
  393    H    ASP  55           H        ASP  55   3.757  11.142  -4.477
  394    HA   ASP  55           HA       ASP  55   2.013   9.874  -2.579
  395    HB2  ASP  55           2HB      ASP  55   1.110  12.086  -4.408
  396    HB3  ASP  55           1HB      ASP  55   0.667  11.788  -2.730
  397    H    LYS  56           H        LYS  56  -0.050   8.979  -2.911
  398    HA   LYS  56           HA       LYS  56  -1.566   7.580  -4.027
  399    HB2  LYS  56           2HB      LYS  56  -1.070   9.427  -6.373
  400    HB3  LYS  56           1HB      LYS  56  -2.539   8.520  -6.007
  401    HG2  LYS  56           2HG      LYS  56  -2.791   9.831  -3.909
  402    HG3  LYS  56           1HG      LYS  56  -1.378  10.785  -4.362
  403    HD2  LYS  56           2HD      LYS  56  -2.675  11.205  -6.587
  404    HD3  LYS  56           1HD      LYS  56  -4.092  10.702  -5.663
  405    HE2  LYS  56           2HE      LYS  56  -3.941  12.510  -4.194
  406    HE3  LYS  56           1HE      LYS  56  -2.224  12.755  -4.513
  407    HZ1  LYS  56           3HZ      LYS  56  -4.534  13.716  -5.975
  408    HZ2  LYS  56           1HZ      LYS  56  -3.257  13.151  -6.936
  409    HZ3  LYS  56           2HZ      LYS  56  -2.985  14.397  -5.813
  410    H    CYS  57           H        CYS  57   1.330   6.901  -4.217
  411    HA   CYS  57           HA       CYS  57   1.748   5.950  -6.943
  412    HB2  CYS  57           2HB      CYS  57   3.712   6.460  -5.649
  413    HB3  CYS  57           1HB      CYS  57   3.192   5.397  -4.339
  414    H    ASN  58           H        ASN  58   0.266   4.621  -4.047
  415    HA   ASN  58           HA       ASN  58   0.380   1.926  -5.186
  416    HB2  ASN  58           2HB      ASN  58  -1.078   1.482  -3.040
  417    HB3  ASN  58           1HB      ASN  58   0.660   1.708  -2.911
  418   HD21  ASN  58          1HD2      ASN  58   0.089   2.383  -0.614
  419   HD22  ASN  58          2HD2      ASN  58  -0.429   3.985  -0.346
  420    H    LEU  59           H        LEU  59  -0.935   2.924  -7.062
  421    HA   LEU  59           HA       LEU  59  -3.826   2.493  -6.461
  422    HB2  LEU  59           2HB      LEU  59  -2.875   4.923  -7.102
  423    HB3  LEU  59           1HB      LEU  59  -3.060   4.275  -8.726
  424    HG   LEU  59           HG       LEU  59  -5.095   5.495  -7.865
  425   HD11  LEU  59          1HD1      LEU  59  -5.448   2.538  -8.431
  426   HD12  LEU  59          2HD1      LEU  59  -5.233   3.789  -9.654
  427   HD13  LEU  59          3HD1      LEU  59  -6.677   3.783  -8.641
  428   HD21  LEU  59          3HD2      LEU  59  -6.295   4.747  -6.031
  429   HD22  LEU  59          1HD2      LEU  59  -4.667   4.313  -5.514
  430   HD23  LEU  59          2HD2      LEU  59  -5.725   3.087  -6.204
  Start of MODEL    6
    1    H1   ARG   1           1HT      ARG   1   1.610  12.242   4.706
    2    H2   ARG   1           2HT      ARG   1   2.294  13.795   4.599
    3    H3   ARG   1           3HT      ARG   1   3.265  12.417   4.381
    4    HA   ARG   1           HA       ARG   1   2.014  13.876   2.429
    5    HB2  ARG   1           2HB      ARG   1   4.044  12.128   2.600
    6    HB3  ARG   1           1HB      ARG   1   2.829  11.064   1.890
    7    HG2  ARG   1           2HG      ARG   1   2.577  13.445   0.455
    8    HG3  ARG   1           1HG      ARG   1   4.317  13.239   0.654
    9    HD2  ARG   1           2HD      ARG   1   3.574  10.692   0.036
   10    HD3  ARG   1           1HD      ARG   1   2.393  11.608  -0.894
   11    HE   ARG   1           HE       ARG   1   4.759  11.202  -1.997
   12   HH11  ARG   1          1HH1      ARG   1   3.107  14.046  -1.228
   13   HH12  ARG   1          2HH1      ARG   1   4.410  15.107  -1.638
   14   HH21  ARG   1          1HH2      ARG   1   6.704  12.557  -2.111
   15   HH22  ARG   1          2HH2      ARG   1   6.440  14.269  -2.136
   16    H    ILE   2           H        ILE   2   1.008  12.070   0.530
   17    HA   ILE   2           HA       ILE   2  -1.463  11.027   1.880
   18    HB   ILE   2           HB       ILE   2  -1.228  12.412  -0.804
   19   HG12  ILE   2          2HG1      ILE   2  -3.202  13.568   0.803
   20   HG13  ILE   2          1HG1      ILE   2  -1.876  13.203   1.905
   21   HG21  ILE   2          1HG2      ILE   2  -3.905  12.079  -0.289
   22   HG22  ILE   2          2HG2      ILE   2  -3.239  10.573   0.345
   23   HG23  ILE   2          3HG2      ILE   2  -2.958  11.022  -1.337
   24   HD11  ILE   2          3HD1      ILE   2  -1.701  14.819  -0.649
   25   HD12  ILE   2          1HD1      ILE   2  -0.306  14.336   0.318
   26   HD13  ILE   2          2HD1      ILE   2  -1.515  15.425   0.997
   27    H    CYS   3           H        CYS   3  -1.445   8.822   1.698
   28    HA   CYS   3           HA       CYS   3  -0.642   7.817  -0.980
   29    HB2  CYS   3           2HB      CYS   3  -0.075   6.491   1.683
   30    HB3  CYS   3           1HB      CYS   3   0.209   5.737   0.121
   31    H    TYR   4           H        TYR   4  -1.628   5.639  -1.503
   32    HA   TYR   4           HA       TYR   4  -4.475   5.763  -0.936
   33    HB2  TYR   4           2HB      TYR   4  -2.722   3.880  -2.518
   34    HB3  TYR   4           1HB      TYR   4  -4.436   3.541  -2.266
   35    HD1  TYR   4           1HD      TYR   4  -5.874   5.928  -2.490
   36    HD2  TYR   4           2HD      TYR   4  -2.295   4.843  -4.601
   37    HE1  TYR   4           1HE      TYR   4  -6.460   7.513  -4.302
   38    HE2  TYR   4           2HE      TYR   4  -2.881   6.434  -6.407
   39    HH   TYR   4           HH       TYR   4  -4.559   7.691  -7.273
   40    H    ASN   5           H        ASN   5  -5.674   4.346   0.387
   41    HA   ASN   5           HA       ASN   5  -3.995   2.658   2.182
   42    HB2  ASN   5           2HB      ASN   5  -4.856   4.146   3.674
   43    HB3  ASN   5           1HB      ASN   5  -6.252   4.517   2.667
   44   HD21  ASN   5          1HD2      ASN   5  -5.033   1.468   4.159
   45   HD22  ASN   5          2HD2      ASN   5  -6.513   1.058   4.872
   46    H    HIS   6           H        HIS   6  -6.778   2.515   0.013
   47    HA   HIS   6           HA       HIS   6  -7.881   0.167   1.237
   48    HB2  HIS   6           2HB      HIS   6  -8.935   1.748  -0.587
   49    HB3  HIS   6           1HB      HIS   6  -8.311   0.507  -1.660
   50    HD1  HIS   6           1HD      HIS   6 -10.181   0.479   1.674
   51    HD2  HIS   6           2HD      HIS   6 -10.174  -1.455  -2.026
   52    HE1  HIS   6           1HE      HIS   6 -12.040  -1.241   1.761
   53    H    LEU   7           H        LEU   7  -8.169  -1.877  -0.066
   54    HA   LEU   7           HA       LEU   7  -5.465  -2.793  -0.887
   55    HB2  LEU   7           2HB      LEU   7  -6.493  -5.102  -0.424
   56    HB3  LEU   7           1HB      LEU   7  -6.201  -4.069   0.976
   57    HG   LEU   7           HG       LEU   7  -8.834  -3.733  -0.347
   58   HD11  LEU   7          1HD1      LEU   7  -8.417  -6.223  -0.378
   59   HD12  LEU   7          2HD1      LEU   7  -9.795  -5.734   0.608
   60   HD13  LEU   7          3HD1      LEU   7  -8.266  -6.159   1.377
   61   HD21  LEU   7          3HD2      LEU   7  -7.583  -3.564   2.343
   62   HD22  LEU   7          1HD2      LEU   7  -9.276  -4.058   2.308
   63   HD23  LEU   7          2HD2      LEU   7  -8.792  -2.519   1.597
   64    H    GLY   8           H        GLY   8  -5.947  -5.013  -2.197
   65    HA2  GLY   8           2HA      GLY   8  -6.015  -5.124  -4.698
   66    HA3  GLY   8           1HA      GLY   8  -7.398  -5.956  -4.010
   67    H    THR   9           H        THR   9  -9.277  -4.121  -3.505
   68    HA   THR   9           HA       THR   9 -10.454  -3.468  -5.913
   69    HB   THR   9           HB       THR   9 -10.699  -1.386  -3.788
   70    HG1  THR   9           1HG      THR   9 -12.203  -3.238  -2.929
   71   HG21  THR   9          3HG2      THR   9 -12.329  -1.115  -5.406
   72   HG22  THR   9          1HG2      THR   9 -13.178  -2.186  -4.291
   73   HG23  THR   9          2HG2      THR   9 -12.427  -2.844  -5.745
   74    H    LYS  10           H        LYS  10  -9.826  -2.255  -7.570
   75    HA   LYS  10           HA       LYS  10  -7.513  -0.782  -7.775
   76    HB2  LYS  10           2HB      LYS  10  -9.837  -1.132  -9.394
   77    HB3  LYS  10           1HB      LYS  10  -9.351   0.564  -9.441
   78    HG2  LYS  10           2HG      LYS  10  -7.469  -1.766  -9.904
   79    HG3  LYS  10           1HG      LYS  10  -8.212  -0.811 -11.188
   80    HD2  LYS  10           2HD      LYS  10  -7.120   1.208 -10.397
   81    HD3  LYS  10           1HD      LYS  10  -6.488   0.357  -8.986
   82    HE2  LYS  10           2HE      LYS  10  -4.787  -0.573 -10.162
   83    HE3  LYS  10           1HE      LYS  10  -5.819  -0.927 -11.548
   84    HZ1  LYS  10           3HZ      LYS  10  -4.471   0.690 -12.402
   85    HZ2  LYS  10           1HZ      LYS  10  -4.309   1.511 -10.927
   86    HZ3  LYS  10           2HZ      LYS  10  -5.748   1.649 -11.821
   87    HA   PRO  11           HA       PRO  11  -9.652   3.334  -6.626
   88    HB2  PRO  11           2HB      PRO  11 -12.335   3.244  -6.044
   89    HB3  PRO  11           1HB      PRO  11 -11.709   3.469  -7.687
   90    HG2  PRO  11           2HG      PRO  11 -12.910   1.024  -6.453
   91    HG3  PRO  11           1HG      PRO  11 -12.911   1.542  -8.147
   92    HD2  PRO  11           2HD      PRO  11 -11.211  -0.432  -7.052
   93    HD3  PRO  11           1HD      PRO  11 -10.983   0.395  -8.602
   94    HA   PRO  12           HA       PRO  12  -9.649   1.805  -2.346
   95    HB2  PRO  12           2HB      PRO  12  -7.292   3.025  -1.662
   96    HB3  PRO  12           1HB      PRO  12  -7.332   1.498  -2.553
   97    HG2  PRO  12           2HG      PRO  12  -6.545   4.140  -3.485
   98    HG3  PRO  12           1HG      PRO  12  -6.267   2.578  -4.254
   99    HD2  PRO  12           2HD      PRO  12  -8.335   4.552  -4.875
  100    HD3  PRO  12           1HD      PRO  12  -7.939   3.069  -5.753
  101    H    THR  13           H        THR  13  -8.540   3.492  -0.385
  102    HA   THR  13           HA       THR  13  -9.959   6.094  -0.740
  103    HB   THR  13           HB       THR  13 -10.668   6.031   1.567
  104    HG1  THR  13           1HG      THR  13  -9.406   3.496   1.697
  105   HG21  THR  13          3HG2      THR  13 -12.431   4.952   0.629
  106   HG22  THR  13          1HG2      THR  13 -11.765   3.511   1.397
  107   HG23  THR  13          2HG2      THR  13 -11.387   3.867  -0.289
  108    H    THR  14           H        THR  14  -8.242   7.480  -0.897
  109    HA   THR  14           HA       THR  14  -5.622   6.988  -0.164
  110    HB   THR  14           HB       THR  14  -5.370   9.498   0.123
  111    HG1  THR  14           1HG      THR  14  -8.123   9.351  -0.560
  112   HG21  THR  14          3HG2      THR  14  -6.615   9.561  -2.390
  113   HG22  THR  14          1HG2      THR  14  -6.074   7.897  -2.168
  114   HG23  THR  14          2HG2      THR  14  -4.919   9.223  -2.046
  115    H    GLU  15           H        GLU  15  -4.335   7.800   1.605
  116    HA   GLU  15           HA       GLU  15  -5.746   8.270   4.161
  117    HB2  GLU  15           2HB      GLU  15  -5.586   5.829   4.079
  118    HB3  GLU  15           1HB      GLU  15  -3.866   5.931   3.699
  119    HG2  GLU  15           2HG      GLU  15  -4.444   5.466   6.144
  120    HG3  GLU  15           1HG      GLU  15  -3.344   6.815   5.855
  121    H    THR  16           H        THR  16  -4.753  10.189   4.581
  122    HA   THR  16           HA       THR  16  -2.079  10.824   3.786
  123    HB   THR  16           HB       THR  16  -2.662  12.463   5.974
  124    HG1  THR  16           1HG      THR  16  -4.814  12.832   5.890
  125   HG21  THR  16          3HG2      THR  16  -1.867  13.259   3.826
  126   HG22  THR  16          1HG2      THR  16  -3.381  14.078   4.206
  127   HG23  THR  16          2HG2      THR  16  -3.364  12.751   3.044
  128    H    CYS  17           H        CYS  17  -0.180  10.430   4.765
  129    HA   CYS  17           HA       CYS  17  -0.140   9.601   7.626
  130    HB2  CYS  17           2HB      CYS  17   1.258   8.176   5.337
  131    HB3  CYS  17           1HB      CYS  17   1.544   7.848   7.045
  132    H    GLN  18           H        GLN  18   2.599   9.259   7.882
  133    HA   GLN  18           HA       GLN  18   3.533  12.008   7.266
  134    HB2  GLN  18           2HB      GLN  18   3.832  11.154   9.570
  135    HB3  GLN  18           1HB      GLN  18   4.859   9.868   8.942
  136    HG2  GLN  18           2HG      GLN  18   6.147  11.889   9.746
  137    HG3  GLN  18           1HG      GLN  18   6.453  11.453   8.072
  138   HE21  GLN  18          1HE2      GLN  18   5.363  12.771   6.370
  139   HE22  GLN  18          2HE2      GLN  18   4.820  14.341   6.711
  140    H    GLU  19           H        GLU  19   4.362   8.646   6.750
  141    HA   GLU  19           HA       GLU  19   6.850   9.167   5.428
  142    HB2  GLU  19           2HB      GLU  19   5.476   6.822   4.355
  143    HB3  GLU  19           1HB      GLU  19   7.018   6.925   5.190
  144    HG2  GLU  19           2HG      GLU  19   4.277   6.832   6.483
  145    HG3  GLU  19           1HG      GLU  19   5.503   5.567   6.519
  146    H    ASP  20           H        ASP  20   7.206  10.012   3.472
  147    HA   ASP  20           HA       ASP  20   4.974  10.740   1.755
  148    HB2  ASP  20           2HB      ASP  20   7.529  10.852   0.376
  149    HB3  ASP  20           1HB      ASP  20   6.434  12.166   0.789
  150    H    SER  21           H        SER  21   6.716   7.927   2.254
  151    HA   SER  21           HA       SER  21   6.578   6.975  -0.496
  152    HB2  SER  21           2HB      SER  21   7.250   5.568   2.095
  153    HB3  SER  21           1HB      SER  21   7.350   4.809   0.511
  154    HG   SER  21           HG       SER  21   8.844   6.966   1.563
  155    H    CYS  22           H        CYS  22   5.300   4.884  -0.913
  156    HA   CYS  22           HA       CYS  22   2.887   4.642   0.817
  157    HB2  CYS  22           2HB      CYS  22   2.645   4.721  -2.195
  158    HB3  CYS  22           1HB      CYS  22   1.363   4.835  -0.996
  159    H    TYR  23           H        TYR  23   2.386   2.426   1.064
  160    HA   TYR  23           HA       TYR  23   4.035   0.645  -0.651
  161    HB2  TYR  23           2HB      TYR  23   4.051  -0.980   1.027
  162    HB3  TYR  23           1HB      TYR  23   4.235   0.521   1.899
  163    HD1  TYR  23           1HD      TYR  23   1.640  -1.914   0.739
  164    HD2  TYR  23           2HD      TYR  23   2.691   1.031   3.682
  165    HE1  TYR  23           1HE      TYR  23  -0.358  -2.512   2.065
  166    HE2  TYR  23           2HE      TYR  23   0.691   0.435   4.997
  167    HH   TYR  23           HH       TYR  23  -1.646  -0.637   4.404
  168    H    LYS  24           H        LYS  24   3.201  -0.810  -1.902
  169    HA   LYS  24           HA       LYS  24   0.322  -1.507  -1.694
  170    HB2  LYS  24           2HB      LYS  24   0.860   0.300  -3.493
  171    HB3  LYS  24           1HB      LYS  24   1.580  -1.038  -4.371
  172    HG2  LYS  24           2HG      LYS  24  -0.664  -2.259  -3.766
  173    HG3  LYS  24           1HG      LYS  24  -1.269  -0.609  -3.633
  174    HD2  LYS  24           2HD      LYS  24   0.185  -0.481  -5.945
  175    HD3  LYS  24           1HD      LYS  24  -0.472  -2.116  -6.021
  176    HE2  LYS  24           2HE      LYS  24  -2.653  -0.683  -5.175
  177    HE3  LYS  24           1HE      LYS  24  -1.855   0.476  -6.238
  178    HZ1  LYS  24           3HZ      LYS  24  -2.758  -2.267  -6.902
  179    HZ2  LYS  24           1HZ      LYS  24  -1.712  -1.381  -7.899
  180    HZ3  LYS  24           2HZ      LYS  24  -3.281  -0.806  -7.590
  181    H    ASN  25           H        ASN  25   0.911  -3.507  -0.922
  182    HA   ASN  25           HA       ASN  25   2.940  -5.052  -2.401
  183    HB2  ASN  25           2HB      ASN  25   1.544  -6.223  -0.045
  184    HB3  ASN  25           1HB      ASN  25   3.250  -6.269  -0.474
  185   HD21  ASN  25          1HD2      ASN  25   3.355  -3.270  -0.859
  186   HD22  ASN  25          2HD2      ASN  25   3.309  -2.630   0.709
  187    H    ILE  26           H        ILE  26   2.493  -7.229  -3.119
  188    HA   ILE  26           HA       ILE  26  -0.139  -7.427  -4.361
  189    HB   ILE  26           HB       ILE  26   0.726  -9.291  -5.547
  190   HG12  ILE  26          2HG1      ILE  26   1.646 -10.375  -3.407
  191   HG13  ILE  26          1HG1      ILE  26   2.571 -10.622  -4.883
  192   HG21  ILE  26          1HG2      ILE  26   3.046  -8.472  -6.218
  193   HG22  ILE  26          2HG2      ILE  26   2.854  -7.230  -4.980
  194   HG23  ILE  26          3HG2      ILE  26   1.740  -7.292  -6.346
  195   HD11  ILE  26          3HD1      ILE  26   3.264  -9.068  -2.454
  196   HD12  ILE  26          1HD1      ILE  26   3.750  -8.349  -3.985
  197   HD13  ILE  26          2HD1      ILE  26   4.311  -9.960  -3.556
  198    H    TRP  27           H        TRP  27   1.432  -8.741  -1.542
  199    HA   TRP  27           HA       TRP  27  -0.989 -10.436  -1.102
  200    HB2  TRP  27           2HB      TRP  27   0.756 -11.471   0.681
  201    HB3  TRP  27           1HB      TRP  27   0.558 -12.102  -0.951
  202    HD1  TRP  27           HD       TRP  27   2.550  -9.064   0.431
  203    HE1  TRP  27           1HE      TRP  27   4.949  -9.200  -0.514
  204    HE3  TRP  27           3HE      TRP  27   2.209 -13.408  -2.231
  205    HZ2  TRP  27           2HZ      TRP  27   6.515 -10.930  -2.166
  206    HZ3  TRP  27           3HZ      TRP  27   4.166 -14.279  -3.474
  207    HH2  TRP  27           HH       TRP  27   6.318 -13.048  -3.445
  208    H    THR  28           H        THR  28  -1.371 -10.777   1.335
  209    HA   THR  28           HA       THR  28  -0.503  -8.589   3.076
  210    HB   THR  28           HB       THR  28  -3.351  -8.792   2.075
  211    HG1  THR  28           1HG      THR  28  -2.935  -6.870   1.176
  212   HG21  THR  28          3HG2      THR  28  -3.668  -6.793   3.639
  213   HG22  THR  28          1HG2      THR  28  -2.144  -7.267   4.389
  214   HG23  THR  28          2HG2      THR  28  -3.521  -8.368   4.417
  215    H    PHE  29           H        PHE  29  -1.650  -8.843   5.281
  216    HA   PHE  29           HA       PHE  29  -1.342 -11.427   6.301
  217    HB2  PHE  29           2HB      PHE  29  -2.753  -8.974   7.196
  218    HB3  PHE  29           1HB      PHE  29  -3.275 -10.477   7.960
  219    HD1  PHE  29           1HD      PHE  29  -0.768 -12.048   7.962
  220    HD2  PHE  29           2HD      PHE  29  -1.442  -7.897   8.838
  221    HE1  PHE  29           1HE      PHE  29   1.258 -12.021   9.389
  222    HE2  PHE  29           2HE      PHE  29   0.586  -7.871  10.267
  223    HZ   PHE  29           HZ       PHE  29   1.936  -9.932  10.542
  224    H    ASP  30           H        ASP  30  -4.429  -9.901   5.290
  225    HA   ASP  30           HA       ASP  30  -5.461 -12.664   4.805
  226    HB2  ASP  30           2HB      ASP  30  -6.326 -11.360   6.924
  227    HB3  ASP  30           1HB      ASP  30  -7.311 -10.496   5.742
  228    H    ASN  31           H        ASN  31  -4.985  -9.499   3.594
  229    HA   ASN  31           HA       ASN  31  -7.071  -9.878   1.502
  230    HB2  ASN  31           2HB      ASN  31  -5.314  -7.454   1.966
  231    HB3  ASN  31           1HB      ASN  31  -6.771  -7.543   0.976
  232   HD21  ASN  31          1HD2      ASN  31  -5.576  -7.195   4.252
  233   HD22  ASN  31          2HD2      ASN  31  -7.092  -7.009   4.992
  234    H    ILE  32           H        ILE  32  -6.072  -8.715  -0.688
  235    HA   ILE  32           HA       ILE  32  -3.698 -10.404  -1.312
  236    HB   ILE  32           HB       ILE  32  -5.145  -8.992  -3.496
  237   HG12  ILE  32          2HG1      ILE  32  -7.038  -9.663  -2.107
  238   HG13  ILE  32          1HG1      ILE  32  -6.928 -10.753  -3.490
  239   HG21  ILE  32          1HG2      ILE  32  -4.894 -11.361  -4.451
  240   HG22  ILE  32          2HG2      ILE  32  -3.943 -11.722  -3.010
  241   HG23  ILE  32          3HG2      ILE  32  -3.401 -10.477  -4.136
  242   HD11  ILE  32          3HD1      ILE  32  -5.337 -11.629  -1.181
  243   HD12  ILE  32          1HD1      ILE  32  -6.462 -12.545  -2.183
  244   HD13  ILE  32          2HD1      ILE  32  -7.069 -11.555  -0.855
  245    H    ILE  33           H        ILE  33  -4.842  -7.330  -2.752
  246    HA   ILE  33           HA       ILE  33  -2.041  -6.359  -2.566
  247    HB   ILE  33           HB       ILE  33  -4.155  -4.819  -3.998
  248   HG12  ILE  33          2HG1      ILE  33  -4.512  -7.223  -4.576
  249   HG13  ILE  33          1HG1      ILE  33  -4.003  -6.248  -5.956
  250   HG21  ILE  33          1HG2      ILE  33  -1.211  -5.376  -4.298
  251   HG22  ILE  33          2HG2      ILE  33  -2.027  -3.824  -4.105
  252   HG23  ILE  33          3HG2      ILE  33  -2.145  -4.699  -5.632
  253   HD11  ILE  33          3HD1      ILE  33  -1.805  -7.107  -5.892
  254   HD12  ILE  33          1HD1      ILE  33  -2.816  -8.519  -5.586
  255   HD13  ILE  33          2HD1      ILE  33  -1.997  -7.714  -4.247
  256    H    ARG  34           H        ARG  34  -1.563  -4.388  -1.462
  257    HA   ARG  34           HA       ARG  34  -3.875  -2.952  -0.348
  258    HB2  ARG  34           2HB      ARG  34  -2.995  -4.807   1.271
  259    HB3  ARG  34           1HB      ARG  34  -1.765  -3.592   1.636
  260    HG2  ARG  34           2HG      ARG  34  -3.278  -2.139   2.562
  261    HG3  ARG  34           1HG      ARG  34  -4.548  -2.603   1.453
  262    HD2  ARG  34           2HD      ARG  34  -5.430  -4.007   2.978
  263    HD3  ARG  34           1HD      ARG  34  -3.890  -4.850   3.133
  264    HE   ARG  34           HE       ARG  34  -3.268  -3.129   4.852
  265   HH11  ARG  34          1HH2      ARG  34  -6.100  -1.918   3.750
  266   HH12  ARG  34          2HH2      ARG  34  -6.949  -1.941   5.260
  267   HH21  ARG  34          1HH1      ARG  34  -4.555  -3.852   6.884
  268   HH22  ARG  34          2HH1      ARG  34  -6.076  -3.034   7.032
  269    H    ARG  35           H        ARG  35  -3.588  -0.992  -0.909
  270    HA   ARG  35           HA       ARG  35  -0.966   0.266  -1.240
  271    HB2  ARG  35           2HB      ARG  35  -3.652   1.625  -1.331
  272    HB3  ARG  35           1HB      ARG  35  -2.186   2.076  -2.186
  273    HG2  ARG  35           2HG      ARG  35  -2.665   0.694  -3.909
  274    HG3  ARG  35           1HG      ARG  35  -3.043  -0.643  -2.828
  275    HD2  ARG  35           2HD      ARG  35  -5.239   0.628  -2.343
  276    HD3  ARG  35           1HD      ARG  35  -4.857   1.556  -3.791
  277    HE   ARG  35           HE       ARG  35  -5.697  -1.252  -3.715
  278   HH11  ARG  35          1HH1      ARG  35  -4.076   1.270  -5.436
  279   HH12  ARG  35          2HH1      ARG  35  -4.359   0.565  -6.989
  280   HH21  ARG  35          1HH2      ARG  35  -6.069  -2.178  -5.734
  281   HH22  ARG  35          2HH2      ARG  35  -5.474  -1.393  -7.159
  282    H    GLY  36           H        GLY  36   0.004   1.387   0.396
  283    HA2  GLY  36           2HA      GLY  36  -1.690   2.599   2.514
  284    HA3  GLY  36           1HA      GLY  36  -0.396   1.512   2.999
  285    H    CYS  37           H        CYS  37   0.567   3.320   4.124
  286    HA   CYS  37           HA       CYS  37   1.959   5.246   2.304
  287    HB2  CYS  37           2HB      CYS  37   2.066   6.542   4.665
  288    HB3  CYS  37           1HB      CYS  37   0.728   6.748   3.537
  289    H    GLY  38           H        GLY  38   4.111   4.724   2.209
  290    HA2  GLY  38           2HA      GLY  38   6.289   4.366   3.104
  291    HA3  GLY  38           1HA      GLY  38   5.567   4.157   4.705
  292    H    CYS  39           H        CYS  39   7.454   2.282   3.398
  293    HA   CYS  39           HA       CYS  39   6.022   0.085   2.257
  294    HB2  CYS  39           2HB      CYS  39   8.488  -0.151   3.969
  295    HB3  CYS  39           1HB      CYS  39   7.991  -1.224   2.670
  296    H    PHE  40           H        PHE  40   5.347  -1.932   3.324
  297    HA   PHE  40           HA       PHE  40   3.934  -1.411   5.767
  298    HB2  PHE  40           2HB      PHE  40   3.567  -3.924   5.786
  299    HB3  PHE  40           1HB      PHE  40   3.025  -3.078   4.348
  300    HD1  PHE  40           2HD      PHE  40   6.589  -3.183   4.439
  301    HD2  PHE  40           1HD      PHE  40   3.126  -5.540   3.500
  302    HE1  PHE  40           2HE      PHE  40   7.978  -4.644   3.014
  303    HE2  PHE  40           1HE      PHE  40   4.521  -7.007   2.072
  304    HZ   PHE  40           HZ       PHE  40   6.946  -6.574   1.842
  305    H    THR  41           H        THR  41   4.194  -2.843   7.759
  306    HA   THR  41           HA       THR  41   6.835  -2.376   8.825
  307    HB   THR  41           HB       THR  41   4.765  -4.041  10.220
  308    HG1  THR  41           1HG      THR  41   3.447  -2.433  10.092
  309   HG21  THR  41          3HG2      THR  41   7.100  -2.339  10.916
  310   HG22  THR  41          1HG2      THR  41   6.525  -3.825  11.671
  311   HG23  THR  41          2HG2      THR  41   5.725  -2.292  12.020
  312    HA   PRO  42           HA       PRO  42   7.190  -7.111   8.918
  313    HB2  PRO  42           2HB      PRO  42   5.319  -8.569   7.524
  314    HB3  PRO  42           1HB      PRO  42   5.138  -8.108   9.225
  315    HG2  PRO  42           2HG      PRO  42   3.728  -7.038   6.846
  316    HG3  PRO  42           1HG      PRO  42   3.251  -6.981   8.550
  317    HD2  PRO  42           2HD      PRO  42   4.432  -4.880   7.006
  318    HD3  PRO  42           1HD      PRO  42   4.057  -4.837   8.738
  319    H    ARG  43           H        ARG  43   8.229  -5.366   6.983
  320    HA   ARG  43           HA       ARG  43   8.042  -6.455   4.311
  321    HB2  ARG  43           2HB      ARG  43   9.802  -4.929   3.751
  322    HB3  ARG  43           1HB      ARG  43   8.807  -4.107   4.948
  323    HG2  ARG  43           2HG      ARG  43  10.632  -5.511   6.498
  324    HG3  ARG  43           1HG      ARG  43  11.598  -4.951   5.132
  325    HD2  ARG  43           2HD      ARG  43  11.189  -2.698   5.595
  326    HD3  ARG  43           1HD      ARG  43   9.714  -3.048   6.496
  327    HE   ARG  43           HE       ARG  43  11.484  -4.181   8.143
  328   HH11  ARG  43          1HH1      ARG  43  10.663  -1.081   7.830
  329   HH12  ARG  43          2HH1      ARG  43  12.183  -0.381   8.276
  330   HH21  ARG  43          1HH2      ARG  43  13.923  -3.374   8.070
  331   HH22  ARG  43          2HH2      ARG  43  14.030  -1.679   8.412
  332    H    GLY  44           H        GLY  44  10.853  -6.570   3.690
  333    HA2  GLY  44           2HA      GLY  44  12.664  -8.043   4.915
  334    HA3  GLY  44           1HA      GLY  44  11.408  -9.264   4.741
  335    H    ASP  45           H        ASP  45  13.514 -10.080   3.467
  336    HA   ASP  45           HA       ASP  45  13.653  -8.977   0.736
  337    HB2  ASP  45           2HB      ASP  45  15.388 -10.492   2.428
  338    HB3  ASP  45           1HB      ASP  45  15.079 -11.445   0.975
  339    H    MET  46           H        MET  46  11.698 -11.166   2.358
  340    HA   MET  46           HA       MET  46  11.393 -13.095   0.189
  341    HB2  MET  46           2HB      MET  46  10.473 -12.819   2.922
  342    HB3  MET  46           1HB      MET  46   9.142 -13.261   1.854
  343    HG2  MET  46           2HG      MET  46  11.814 -14.688   1.874
  344    HG3  MET  46           1HG      MET  46  10.409 -15.233   2.789
  345    HE1  MET  46           3HE      MET  46   9.807 -17.891   0.358
  346    HE2  MET  46           1HE      MET  46  10.194 -17.328   1.990
  347    HE3  MET  46           2HE      MET  46  11.460 -17.447   0.771
  348    HA   PRO  47           HA       PRO  47   7.384 -10.612  -0.505
  349    HB2  PRO  47           2HB      PRO  47   7.022  -8.341   0.987
  350    HB3  PRO  47           1HB      PRO  47   6.466  -9.946   1.486
  351    HG2  PRO  47           2HG      PRO  47   8.743  -8.350   2.529
  352    HG3  PRO  47           1HG      PRO  47   7.844  -9.661   3.312
  353    HD2  PRO  47           2HD      PRO  47  10.410  -9.847   2.070
  354    HD3  PRO  47           1HD      PRO  47   9.437 -11.193   2.695
  355    H    GLY  48           H        GLY  48   7.018  -9.000  -2.026
  356    HA2  GLY  48           2HA      GLY  48   9.095  -6.930  -2.381
  357    HA3  GLY  48           1HA      GLY  48   8.697  -7.975  -3.743
  358    HA   PRO  49           HA       PRO  49   4.712  -5.439  -2.607
  359    HB2  PRO  49           2HB      PRO  49   5.199  -3.245  -1.023
  360    HB3  PRO  49           1HB      PRO  49   4.717  -4.828  -0.387
  361    HG2  PRO  49           2HG      PRO  49   7.457  -3.597  -0.494
  362    HG3  PRO  49           1HG      PRO  49   6.727  -4.576   0.774
  363    HD2  PRO  49           2HD      PRO  49   8.504  -5.633  -1.023
  364    HD3  PRO  49           1HD      PRO  49   7.202  -6.591  -0.301
  365    H    TYR  50           H        TYR  50   4.405  -2.706  -2.641
  366    HA   TYR  50           HA       TYR  50   6.222  -1.794  -4.825
  367    HB2  TYR  50           2HB      TYR  50   3.577  -2.446  -5.191
  368    HB3  TYR  50           1HB      TYR  50   3.475  -0.717  -4.858
  369    HD1  TYR  50           1HD      TYR  50   5.282  -3.228  -6.954
  370    HD2  TYR  50           2HD      TYR  50   4.033   0.860  -6.523
  371    HE1  TYR  50           1HE      TYR  50   6.080  -2.741  -9.251
  372    HE2  TYR  50           2HE      TYR  50   4.830   1.346  -8.820
  373    HH   TYR  50           HH       TYR  50   6.870  -0.128 -10.405
  374    H    CYS  51           H        CYS  51   7.241  -0.885  -2.732
  375    HA   CYS  51           HA       CYS  51   5.867   1.317  -1.377
  376    HB2  CYS  51           2HB      CYS  51   8.205  -0.140  -0.925
  377    HB3  CYS  51           1HB      CYS  51   8.776   1.462  -1.400
  378    H    CYS  52           H        CYS  52   5.602   3.272  -2.265
  379    HA   CYS  52           HA       CYS  52   7.515   4.125  -4.411
  380    HB2  CYS  52           2HB      CYS  52   5.329   3.590  -5.387
  381    HB3  CYS  52           1HB      CYS  52   4.542   4.700  -4.274
  382    H    GLU  53           H        GLU  53   7.707   6.478  -4.580
  383    HA   GLU  53           HA       GLU  53   7.204   7.783  -1.945
  384    HB2  GLU  53           2HB      GLU  53   9.420   8.669  -3.759
  385    HB3  GLU  53           1HB      GLU  53   9.272   8.827  -2.006
  386    HG2  GLU  53           2HG      GLU  53   9.710   6.521  -1.646
  387    HG3  GLU  53           1HG      GLU  53   9.505   6.139  -3.355
  388    H    SER  54           H        SER  54   5.127   8.121  -3.268
  389    HA   SER  54           HA       SER  54   5.113  10.907  -4.129
  390    HB2  SER  54           2HB      SER  54   3.717   9.505  -6.201
  391    HB3  SER  54           1HB      SER  54   5.097  10.586  -6.362
  392    HG   SER  54           HG       SER  54   6.450   8.816  -5.961
  393    H    ASP  55           H        ASP  55   2.877  11.703  -4.140
  394    HA   ASP  55           HA       ASP  55   1.214  10.260  -2.287
  395    HB2  ASP  55           2HB      ASP  55   0.113  12.402  -4.080
  396    HB3  ASP  55           1HB      ASP  55  -0.235  12.079  -2.383
  397    H    LYS  56           H        LYS  56  -0.853   9.287  -2.712
  398    HA   LYS  56           HA       LYS  56  -2.031   7.607  -3.902
  399    HB2  LYS  56           2HB      LYS  56  -3.034   8.571  -6.033
  400    HB3  LYS  56           1HB      LYS  56  -3.302   9.532  -4.580
  401    HG2  LYS  56           2HG      LYS  56  -1.412  10.982  -5.183
  402    HG3  LYS  56           1HG      LYS  56  -1.114  10.013  -6.623
  403    HD2  LYS  56           2HD      LYS  56  -3.611  10.522  -7.189
  404    HD3  LYS  56           1HD      LYS  56  -3.434  11.836  -6.025
  405    HE2  LYS  56           2HE      LYS  56  -1.381  11.477  -8.191
  406    HE3  LYS  56           1HE      LYS  56  -2.905  12.288  -8.552
  407    HZ1  LYS  56           3HZ      LYS  56  -1.045  13.042  -6.364
  408    HZ2  LYS  56           1HZ      LYS  56  -2.484  13.841  -6.770
  409    HZ3  LYS  56           2HZ      LYS  56  -1.177  13.845  -7.855
  410    H    CYS  57           H        CYS  57   0.854   7.428  -4.249
  411    HA   CYS  57           HA       CYS  57   1.321   6.939  -7.101
  412    HB2  CYS  57           2HB      CYS  57   3.078   7.783  -5.510
  413    HB3  CYS  57           1HB      CYS  57   3.070   6.194  -4.747
  414    H    ASN  58           H        ASN  58   0.028   5.108  -4.505
  415    HA   ASN  58           HA       ASN  58   0.823   2.581  -5.800
  416    HB2  ASN  58           2HB      ASN  58  -0.472   1.620  -3.730
  417    HB3  ASN  58           1HB      ASN  58   1.151   2.275  -3.527
  418   HD21  ASN  58          1HD2      ASN  58  -0.072   2.361  -1.210
  419   HD22  ASN  58          2HD2      ASN  58  -0.756   3.874  -0.847
  420    H    LEU  59           H        LEU  59  -0.785   3.643  -7.545
  421    HA   LEU  59           HA       LEU  59  -3.478   2.461  -6.987
  422    HB2  LEU  59           2HB      LEU  59  -3.007   5.078  -7.597
  423    HB3  LEU  59           1HB      LEU  59  -3.251   4.405  -9.205
  424    HG   LEU  59           HG       LEU  59  -5.377   5.195  -8.146
  425   HD11  LEU  59          1HD1      LEU  59  -5.180   2.196  -8.565
  426   HD12  LEU  59          2HD1      LEU  59  -5.379   3.393  -9.844
  427   HD13  LEU  59          3HD1      LEU  59  -6.658   3.154  -8.654
  428   HD21  LEU  59          3HD2      LEU  59  -5.708   2.921  -6.387
  429   HD22  LEU  59          1HD2      LEU  59  -5.879   4.637  -6.018
  430   HD23  LEU  59          2HD2      LEU  59  -4.299   3.863  -5.900
  Start of MODEL    7
    1    H1   ARG   1           1HT      ARG   1   3.380  12.032   2.853
    2    H2   ARG   1           2HT      ARG   1   2.164  10.848   2.936
    3    H3   ARG   1           3HT      ARG   1   2.240  12.076   4.108
    4    HA   ARG   1           HA       ARG   1   1.281  13.623   2.791
    5    HB2  ARG   1           2HB      ARG   1   1.665  13.807   0.435
    6    HB3  ARG   1           1HB      ARG   1   3.205  13.340   1.145
    7    HG2  ARG   1           2HG      ARG   1   1.513  11.041   0.403
    8    HG3  ARG   1           1HG      ARG   1   1.999  12.032  -0.960
    9    HD2  ARG   1           2HD      ARG   1   3.952  11.127   1.109
   10    HD3  ARG   1           1HD      ARG   1   3.557  10.121  -0.271
   11    HE   ARG   1           HE       ARG   1   4.943  11.504  -1.550
   12   HH11  ARG   1          1HH1      ARG   1   5.409  12.715   1.438
   13   HH12  ARG   1          2HH1      ARG   1   5.563  14.376   0.979
   14   HH21  ARG   1          1HH2      ARG   1   4.432  13.869  -2.256
   15   HH22  ARG   1          2HH2      ARG   1   5.010  15.030  -1.107
   16    H    ILE   2           H        ILE   2   0.087  12.656   0.115
   17    HA   ILE   2           HA       ILE   2  -2.114  11.111   1.391
   18    HB   ILE   2           HB       ILE   2  -1.939  12.414  -1.337
   19   HG12  ILE   2          2HG1      ILE   2  -3.925  13.558   0.297
   20   HG13  ILE   2          1HG1      ILE   2  -2.514  13.332   1.333
   21   HG21  ILE   2          1HG2      ILE   2  -3.449  10.490  -1.341
   22   HG22  ILE   2          2HG2      ILE   2  -4.405  11.972  -1.339
   23   HG23  ILE   2          3HG2      ILE   2  -4.207  11.049   0.150
   24   HD11  ILE   2          3HD1      ILE   2  -1.391  15.005   0.315
   25   HD12  ILE   2          1HD1      ILE   2  -2.907  15.427  -0.480
   26   HD13  ILE   2          2HD1      ILE   2  -1.758  14.357  -1.283
   27    H    CYS   3           H        CYS   3  -1.250   8.997   1.433
   28    HA   CYS   3           HA       CYS   3  -0.409   7.965  -1.213
   29    HB2  CYS   3           2HB      CYS   3  -0.079   6.780   1.562
   30    HB3  CYS   3           1HB      CYS   3   0.363   5.935   0.086
   31    H    TYR   4           H        TYR   4  -1.199   5.529  -1.526
   32    HA   TYR   4           HA       TYR   4  -4.120   5.672  -1.318
   33    HB2  TYR   4           2HB      TYR   4  -2.173   3.806  -2.629
   34    HB3  TYR   4           1HB      TYR   4  -3.814   3.246  -2.329
   35    HD1  TYR   4           1HD      TYR   4  -5.747   4.362  -3.376
   36    HD2  TYR   4           2HD      TYR   4  -1.719   5.570  -4.238
   37    HE1  TYR   4           1HE      TYR   4  -6.547   5.614  -5.363
   38    HE2  TYR   4           2HE      TYR   4  -2.516   6.822  -6.224
   39    HH   TYR   4           HH       TYR   4  -5.367   7.846  -6.726
   40    H    ASN   5           H        ASN   5  -5.368   4.482   0.070
   41    HA   ASN   5           HA       ASN   5  -3.947   2.844   2.110
   42    HB2  ASN   5           2HB      ASN   5  -4.956   4.619   3.283
   43    HB3  ASN   5           1HB      ASN   5  -6.362   4.645   2.228
   44   HD21  ASN   5          1HD2      ASN   5  -5.012   1.659   3.616
   45   HD22  ASN   5          2HD2      ASN   5  -6.348   1.319   4.606
   46    H    HIS   6           H        HIS   6  -6.538   3.071  -0.206
   47    HA   HIS   6           HA       HIS   6  -8.115   0.914   0.528
   48    HB2  HIS   6           2HB      HIS   6  -9.068   1.091  -1.588
   49    HB3  HIS   6           1HB      HIS   6  -8.252   2.640  -1.489
   50    HD1  HIS   6           1HD      HIS   6  -7.106   3.144  -3.622
   51    HD2  HIS   6           2HD      HIS   6  -6.968  -0.934  -2.773
   52    HE1  HIS   6           1HE      HIS   6  -5.822   2.060  -5.515
   53    H    LEU   7           H        LEU   7  -7.887  -1.289   0.455
   54    HA   LEU   7           HA       LEU   7  -5.272  -2.287  -0.532
   55    HB2  LEU   7           2HB      LEU   7  -6.506  -4.417   0.760
   56    HB3  LEU   7           1HB      LEU   7  -5.278  -3.367   1.460
   57    HG   LEU   7           HG       LEU   7  -7.211  -1.807   2.113
   58   HD11  LEU   7          1HD1      LEU   7  -9.380  -2.468   1.833
   59   HD12  LEU   7          2HD1      LEU   7  -9.003  -4.168   2.106
   60   HD13  LEU   7          3HD1      LEU   7  -8.702  -3.441   0.528
   61   HD21  LEU   7          3HD2      LEU   7  -7.895  -3.978   3.784
   62   HD22  LEU   7          1HD2      LEU   7  -6.677  -2.740   4.095
   63   HD23  LEU   7          2HD2      LEU   7  -6.218  -4.250   3.307
   64    H    GLY   8           H        GLY   8  -5.168  -3.804  -2.129
   65    HA2  GLY   8           2HA      GLY   8  -6.128  -5.563  -3.518
   66    HA3  GLY   8           1HA      GLY   8  -7.732  -4.929  -3.151
   67    H    THR   9           H        THR   9  -8.522  -4.369  -5.118
   68    HA   THR   9           HA       THR   9  -6.756  -2.948  -7.014
   69    HB   THR   9           HB       THR   9  -9.112  -3.129  -8.325
   70    HG1  THR   9           1HG      THR   9 -10.095  -5.056  -7.709
   71   HG21  THR   9          3HG2      THR   9  -8.134  -4.905  -9.501
   72   HG22  THR   9          1HG2      THR   9  -7.406  -5.592  -8.048
   73   HG23  THR   9          2HG2      THR   9  -6.739  -4.121  -8.759
   74    H    LYS  10           H        LYS  10 -10.169  -2.282  -7.042
   75    HA   LYS  10           HA       LYS  10  -9.523   0.493  -6.154
   76    HB2  LYS  10           2HB      LYS  10 -11.070   1.346  -7.793
   77    HB3  LYS  10           1HB      LYS  10  -9.945   0.247  -8.593
   78    HG2  LYS  10           2HG      LYS  10 -12.304  -1.128  -7.537
   79    HG3  LYS  10           1HG      LYS  10 -12.710   0.100  -8.737
   80    HD2  LYS  10           2HD      LYS  10 -10.384  -1.375  -9.602
   81    HD3  LYS  10           1HD      LYS  10 -11.696  -2.494  -9.225
   82    HE2  LYS  10           2HE      LYS  10 -12.802  -0.251 -10.621
   83    HE3  LYS  10           1HE      LYS  10 -11.409  -0.839 -11.532
   84    HZ1  LYS  10           3HZ      LYS  10 -12.721  -2.452 -12.266
   85    HZ2  LYS  10           1HZ      LYS  10 -13.968  -2.029 -11.197
   86    HZ3  LYS  10           2HZ      LYS  10 -12.744  -3.092 -10.692
   87    HA   PRO  11           HA       PRO  11 -13.651  -0.953  -4.255
   88    HB2  PRO  11           2HB      PRO  11 -12.980  -2.468  -2.043
   89    HB3  PRO  11           1HB      PRO  11 -13.558  -3.092  -3.592
   90    HG2  PRO  11           2HG      PRO  11 -10.790  -3.166  -2.499
   91    HG3  PRO  11           1HG      PRO  11 -11.535  -4.160  -3.747
   92    HD2  PRO  11           2HD      PRO  11  -9.746  -1.996  -4.193
   93    HD3  PRO  11           1HD      PRO  11 -10.702  -2.861  -5.412
   94    HA   PRO  12           HA       PRO  12 -12.460   1.339  -0.273
   95    HB2  PRO  12           2HB      PRO  12  -9.849   1.174   0.580
   96    HB3  PRO  12           1HB      PRO  12 -11.151   0.108   1.118
   97    HG2  PRO  12           2HG      PRO  12  -8.956  -0.485  -0.834
   98    HG3  PRO  12           1HG      PRO  12  -9.841  -1.579   0.230
   99    HD2  PRO  12           2HD      PRO  12 -10.302  -1.283  -2.510
  100    HD3  PRO  12           1HD      PRO  12 -11.429  -1.993  -1.346
  101    H    THR  13           H        THR  13 -10.241   3.115   0.304
  102    HA   THR  13           HA       THR  13  -9.737   4.359  -2.366
  103    HB   THR  13           HB       THR  13 -11.811   5.338  -1.474
  104    HG1  THR  13           1HG      THR  13 -10.163   7.455  -1.025
  105   HG21  THR  13          3HG2      THR  13 -10.703   6.885   0.674
  106   HG22  THR  13          1HG2      THR  13 -10.385   5.177   0.982
  107   HG23  THR  13          2HG2      THR  13 -12.039   5.734   0.726
  108    H    THR  14           H        THR  14  -8.598   6.698  -1.711
  109    HA   THR  14           HA       THR  14  -5.994   5.925  -0.680
  110    HB   THR  14           HB       THR  14  -5.447   8.351  -1.111
  111    HG1  THR  14           1HG      THR  14  -7.081   9.619  -1.340
  112   HG21  THR  14          3HG2      THR  14  -5.998   8.089  -3.653
  113   HG22  THR  14          1HG2      THR  14  -6.567   6.488  -3.176
  114   HG23  THR  14          2HG2      THR  14  -4.889   6.952  -2.883
  115    H    GLU  15           H        GLU  15  -4.883   7.620   0.808
  116    HA   GLU  15           HA       GLU  15  -6.607   8.793   2.874
  117    HB2  GLU  15           2HB      GLU  15  -6.106   7.401   4.650
  118    HB3  GLU  15           1HB      GLU  15  -6.064   6.217   3.350
  119    HG2  GLU  15           2HG      GLU  15  -4.014   5.739   4.281
  120    HG3  GLU  15           1HG      GLU  15  -3.502   7.069   3.244
  121    H    THR  16           H        THR  16  -4.985   9.730   4.684
  122    HA   THR  16           HA       THR  16  -2.634  10.831   3.184
  123    HB   THR  16           HB       THR  16  -3.742  12.249   5.567
  124    HG1  THR  16           1HG      THR  16  -5.620  12.270   4.613
  125   HG21  THR  16          3HG2      THR  16  -2.318  13.801   4.806
  126   HG22  THR  16          1HG2      THR  16  -3.201  13.879   3.282
  127   HG23  THR  16          2HG2      THR  16  -1.876  12.731   3.476
  128    H    CYS  17           H        CYS  17  -0.653  10.775   4.207
  129    HA   CYS  17           HA       CYS  17  -0.530   9.750   6.998
  130    HB2  CYS  17           2HB      CYS  17  -0.125   8.158   4.758
  131    HB3  CYS  17           1HB      CYS  17   1.504   8.597   5.266
  132    H    GLN  18           H        GLN  18   2.017   9.607   7.527
  133    HA   GLN  18           HA       GLN  18   3.061  12.320   6.954
  134    HB2  GLN  18           2HB      GLN  18   2.963  11.526   9.303
  135    HB3  GLN  18           1HB      GLN  18   4.089  10.238   8.890
  136    HG2  GLN  18           2HG      GLN  18   5.243  12.238   9.854
  137    HG3  GLN  18           1HG      GLN  18   5.780  11.852   8.224
  138   HE21  GLN  18          1HE2      GLN  18   4.840  13.180   6.421
  139   HE22  GLN  18          2HE2      GLN  18   4.278  14.751   6.739
  140    H    GLU  19           H        GLU  19   4.025   8.923   6.742
  141    HA   GLU  19           HA       GLU  19   6.682   9.452   5.802
  142    HB2  GLU  19           2HB      GLU  19   5.500   7.016   4.658
  143    HB3  GLU  19           1HB      GLU  19   6.935   7.191   5.654
  144    HG2  GLU  19           2HG      GLU  19   5.140   7.680   7.556
  145    HG3  GLU  19           1HG      GLU  19   4.100   6.735   6.488
  146    H    ASP  20           H        ASP  20   7.342  10.191   3.879
  147    HA   ASP  20           HA       ASP  20   5.454  10.907   1.838
  148    HB2  ASP  20           2HB      ASP  20   7.880  10.828   0.499
  149    HB3  ASP  20           1HB      ASP  20   7.193  12.237   1.296
  150    H    SER  21           H        SER  21   6.921   7.986   2.656
  151    HA   SER  21           HA       SER  21   6.912   6.899  -0.043
  152    HB2  SER  21           2HB      SER  21   6.994   4.867   1.989
  153    HB3  SER  21           1HB      SER  21   8.263   5.352   0.870
  154    HG   SER  21           HG       SER  21   8.700   5.647   3.181
  155    H    CYS  22           H        CYS  22   5.539   4.977  -0.583
  156    HA   CYS  22           HA       CYS  22   3.048   4.738   1.026
  157    HB2  CYS  22           2HB      CYS  22   2.925   4.832  -1.988
  158    HB3  CYS  22           1HB      CYS  22   1.610   5.003  -0.836
  159    H    TYR  23           H        TYR  23   2.875   2.527   1.434
  160    HA   TYR  23           HA       TYR  23   4.324   0.794  -0.494
  161    HB2  TYR  23           2HB      TYR  23   4.735  -0.788   1.162
  162    HB3  TYR  23           1HB      TYR  23   4.962   0.736   1.979
  163    HD1  TYR  23           1HD      TYR  23   1.805   1.268   2.139
  164    HD2  TYR  23           2HD      TYR  23   4.365  -2.009   3.210
  165    HE1  TYR  23           1HE      TYR  23   0.174   0.529   3.858
  166    HE2  TYR  23           2HE      TYR  23   2.716  -2.726   4.925
  167    HH   TYR  23           HH       TYR  23  -0.450  -1.408   5.087
  168    H    LYS  24           H        LYS  24   3.466  -0.821  -1.506
  169    HA   LYS  24           HA       LYS  24   0.663  -1.589  -0.920
  170    HB2  LYS  24           2HB      LYS  24   0.349  -0.021  -2.665
  171    HB3  LYS  24           1HB      LYS  24   1.718  -0.644  -3.578
  172    HG2  LYS  24           2HG      LYS  24   0.518  -2.807  -3.839
  173    HG3  LYS  24           1HG      LYS  24  -0.867  -2.102  -3.000
  174    HD2  LYS  24           2HD      LYS  24  -1.108  -1.981  -5.468
  175    HD3  LYS  24           1HD      LYS  24  -1.080  -0.387  -4.716
  176    HE2  LYS  24           2HE      LYS  24   0.944   0.161  -5.626
  177    HE3  LYS  24           1HE      LYS  24   1.556  -1.489  -5.511
  178    HZ1  LYS  24           3HZ      LYS  24   0.567  -0.220  -7.758
  179    HZ2  LYS  24           1HZ      LYS  24  -0.609  -1.366  -7.327
  180    HZ3  LYS  24           2HZ      LYS  24   0.995  -1.857  -7.605
  181    H    ASN  25           H        ASN  25   0.878  -3.641  -0.425
  182    HA   ASN  25           HA       ASN  25   2.659  -5.359  -2.090
  183    HB2  ASN  25           2HB      ASN  25   1.950  -6.039   0.749
  184    HB3  ASN  25           1HB      ASN  25   3.390  -6.473  -0.167
  185   HD21  ASN  25          1HD2      ASN  25   1.808  -3.360   0.922
  186   HD22  ASN  25          2HD2      ASN  25   3.260  -2.648   1.380
  187    H    ILE  26           H        ILE  26   1.966  -7.744  -1.875
  188    HA   ILE  26           HA       ILE  26  -0.977  -7.857  -2.266
  189    HB   ILE  26           HB       ILE  26  -0.586  -9.918  -3.452
  190   HG12  ILE  26          2HG1      ILE  26   2.046 -10.498  -3.578
  191   HG13  ILE  26          1HG1      ILE  26   1.984  -9.818  -1.952
  192   HG21  ILE  26          1HG2      ILE  26   0.366  -8.956  -5.281
  193   HG22  ILE  26          2HG2      ILE  26   1.834  -8.518  -4.406
  194   HG23  ILE  26          3HG2      ILE  26   0.395  -7.506  -4.277
  195   HD11  ILE  26          3HD1      ILE  26   0.465 -11.447  -1.193
  196   HD12  ILE  26          1HD1      ILE  26   1.547 -12.370  -2.236
  197   HD13  ILE  26          2HD1      ILE  26  -0.037 -11.872  -2.831
  198    H    TRP  27           H        TRP  27   1.386  -8.545   0.065
  199    HA   TRP  27           HA       TRP  27   0.084 -10.873   1.256
  200    HB2  TRP  27           2HB      TRP  27   1.980  -9.036   2.706
  201    HB3  TRP  27           1HB      TRP  27   1.774 -10.777   2.892
  202    HD1  TRP  27           HD       TRP  27   3.676  -8.193   0.949
  203    HE1  TRP  27           1HE      TRP  27   5.284  -9.355  -0.700
  204    HE3  TRP  27           3HE      TRP  27   1.996 -13.002   1.321
  205    HZ2  TRP  27           2HZ      TRP  27   5.784 -11.979  -1.729
  206    HZ3  TRP  27           3HZ      TRP  27   3.053 -14.810  -0.002
  207    HH2  TRP  27           HH       TRP  27   4.943 -14.305  -1.526
  208    H    THR  28           H        THR  28  -1.900 -10.599   2.191
  209    HA   THR  28           HA       THR  28  -2.191  -8.587   4.296
  210    HB   THR  28           HB       THR  28  -2.755  -7.484   2.014
  211    HG1  THR  28           1HG      THR  28  -4.121  -6.221   3.091
  212   HG21  THR  28          3HG2      THR  28  -4.957  -7.920   1.137
  213   HG22  THR  28          1HG2      THR  28  -5.314  -9.041   2.449
  214   HG23  THR  28          2HG2      THR  28  -4.106  -9.461   1.234
  215    H    PHE  29           H        PHE  29  -3.555  -9.372   5.860
  216    HA   PHE  29           HA       PHE  29  -4.869 -11.963   5.323
  217    HB2  PHE  29           2HB      PHE  29  -3.559 -11.691   7.399
  218    HB3  PHE  29           1HB      PHE  29  -4.610 -10.363   7.891
  219    HD1  PHE  29           1HD      PHE  29  -4.676 -13.981   6.928
  220    HD2  PHE  29           2HD      PHE  29  -6.597 -10.792   9.072
  221    HE1  PHE  29           1HE      PHE  29  -6.277 -15.603   7.909
  222    HE2  PHE  29           2HE      PHE  29  -8.198 -12.414  10.051
  223    HZ   PHE  29           HZ       PHE  29  -8.037 -14.819   9.470
  224    H    ASP  30           H        ASP  30  -5.794  -9.086   4.479
  225    HA   ASP  30           HA       ASP  30  -8.536  -9.259   5.648
  226    HB2  ASP  30           2HB      ASP  30  -7.070  -7.093   5.750
  227    HB3  ASP  30           1HB      ASP  30  -7.531  -6.912   4.057
  228    H    ASN  31           H        ASN  31  -7.110  -8.162   2.543
  229    HA   ASN  31           HA       ASN  31  -9.189  -9.813   1.172
  230    HB2  ASN  31           2HB      ASN  31  -9.365  -7.122   1.273
  231    HB3  ASN  31           1HB      ASN  31  -8.322  -7.287  -0.139
  232   HD21  ASN  31          1HD2      ASN  31 -11.571  -7.306   0.843
  233   HD22  ASN  31          2HD2      ASN  31 -12.237  -8.064  -0.521
  234    H    ILE  32           H        ILE  32  -6.539  -7.729  -0.029
  235    HA   ILE  32           HA       ILE  32  -4.943 -10.065  -0.782
  236    HB   ILE  32           HB       ILE  32  -5.214  -8.626  -3.233
  237   HG12  ILE  32          2HG1      ILE  32  -7.608  -9.170  -3.738
  238   HG13  ILE  32          1HG1      ILE  32  -7.853  -9.533  -2.034
  239   HG21  ILE  32          1HG2      ILE  32  -4.501 -10.903  -3.148
  240   HG22  ILE  32          2HG2      ILE  32  -6.055 -10.894  -3.984
  241   HG23  ILE  32          3HG2      ILE  32  -5.964 -11.397  -2.296
  242   HD11  ILE  32          3HD1      ILE  32  -8.487  -7.313  -2.027
  243   HD12  ILE  32          1HD1      ILE  32  -7.424  -6.900  -3.372
  244   HD13  ILE  32          2HD1      ILE  32  -6.757  -7.106  -1.753
  245    H    ILE  33           H        ILE  33  -5.075  -6.964  -2.479
  246    HA   ILE  33           HA       ILE  33  -2.284  -6.466  -1.679
  247    HB   ILE  33           HB       ILE  33  -3.859  -4.549  -3.349
  248   HG12  ILE  33          2HG1      ILE  33  -4.557  -6.696  -4.227
  249   HG13  ILE  33          1HG1      ILE  33  -3.387  -5.994  -5.341
  250   HG21  ILE  33          1HG2      ILE  33  -1.777  -4.112  -4.346
  251   HG22  ILE  33          2HG2      ILE  33  -1.114  -5.673  -3.863
  252   HG23  ILE  33          3HG2      ILE  33  -1.357  -4.408  -2.658
  253   HD11  ILE  33          3HD1      ILE  33  -1.615  -7.389  -4.456
  254   HD12  ILE  33          1HD1      ILE  33  -2.983  -8.430  -4.848
  255   HD13  ILE  33          2HD1      ILE  33  -2.668  -7.984  -3.171
  256    H    ARG  34           H        ARG  34  -1.640  -4.337  -0.779
  257    HA   ARG  34           HA       ARG  34  -3.860  -2.774   0.374
  258    HB2  ARG  34           2HB      ARG  34  -3.167  -4.555   2.050
  259    HB3  ARG  34           1HB      ARG  34  -1.648  -3.661   2.195
  260    HG2  ARG  34           2HG      ARG  34  -2.666  -1.805   3.122
  261    HG3  ARG  34           1HG      ARG  34  -4.205  -2.127   2.347
  262    HD2  ARG  34           2HD      ARG  34  -4.699  -2.712   4.546
  263    HD3  ARG  34           1HD      ARG  34  -4.201  -4.271   3.887
  264    HE   ARG  34           HE       ARG  34  -1.844  -3.185   4.856
  265   HH11  ARG  34          1HH1      ARG  34  -3.420  -5.548   6.040
  266   HH12  ARG  34          2HH1      ARG  34  -3.578  -5.035   7.687
  267   HH21  ARG  34          1HH2      ARG  34  -2.724  -1.740   7.019
  268   HH22  ARG  34          2HH2      ARG  34  -3.182  -2.880   8.241
  269    H    ARG  35           H        ARG  35  -3.429  -0.810  -0.312
  270    HA   ARG  35           HA       ARG  35  -0.648   0.138  -0.606
  271    HB2  ARG  35           2HB      ARG  35  -3.299   1.450  -1.287
  272    HB3  ARG  35           1HB      ARG  35  -1.726   2.156  -1.607
  273    HG2  ARG  35           2HG      ARG  35  -1.504   0.943  -3.484
  274    HG3  ARG  35           1HG      ARG  35  -1.798  -0.551  -2.595
  275    HD2  ARG  35           2HD      ARG  35  -3.893  -0.698  -3.402
  276    HD3  ARG  35           1HD      ARG  35  -4.256   0.951  -2.893
  277    HE   ARG  35           HE       ARG  35  -3.467   1.736  -5.066
  278   HH11  ARG  35          1HH1      ARG  35  -5.303  -0.821  -5.401
  279   HH12  ARG  35          2HH1      ARG  35  -4.494  -1.565  -6.740
  280   HH21  ARG  35          1HH2      ARG  35  -1.656   0.411  -6.464
  281   HH22  ARG  35          2HH2      ARG  35  -2.429  -0.867  -7.342
  282    H    GLY  36           H        GLY  36   0.223   1.742   0.722
  283    HA2  GLY  36           2HA      GLY  36  -1.495   3.144   2.641
  284    HA3  GLY  36           1HA      GLY  36  -0.381   2.006   3.365
  285    H    CYS  37           H        CYS  37   0.772   3.641   4.408
  286    HA   CYS  37           HA       CYS  37   2.384   5.404   2.613
  287    HB2  CYS  37           2HB      CYS  37   2.439   6.995   4.511
  288    HB3  CYS  37           1HB      CYS  37   0.792   6.686   3.959
  289    H    GLY  38           H        GLY  38   4.480   4.729   2.622
  290    HA2  GLY  38           2HA      GLY  38   6.575   4.438   3.766
  291    HA3  GLY  38           1HA      GLY  38   5.683   4.041   5.238
  292    H    CYS  39           H        CYS  39   7.773   2.568   3.666
  293    HA   CYS  39           HA       CYS  39   6.579   0.290   2.399
  294    HB2  CYS  39           2HB      CYS  39   9.179   0.234   3.909
  295    HB3  CYS  39           1HB      CYS  39   8.717  -0.756   2.536
  296    H    PHE  40           H        PHE  40   6.237  -1.848   3.283
  297    HA   PHE  40           HA       PHE  40   4.994  -1.810   5.869
  298    HB2  PHE  40           2HB      PHE  40   5.019  -4.344   5.622
  299    HB3  PHE  40           1HB      PHE  40   4.224  -3.462   4.334
  300    HD1  PHE  40           1HD      PHE  40   7.736  -2.967   4.133
  301    HD2  PHE  40           2HD      PHE  40   4.631  -5.780   3.208
  302    HE1  PHE  40           1HE      PHE  40   9.214  -4.024   2.479
  303    HE2  PHE  40           2HE      PHE  40   6.120  -6.854   1.551
  304    HZ   PHE  40           HZ       PHE  40   8.417  -5.988   1.187
  305    H    THR  41           H        THR  41   5.696  -3.446   7.650
  306    HA   THR  41           HA       THR  41   8.373  -2.655   8.451
  307    HB   THR  41           HB       THR  41   6.307  -4.385   9.811
  308    HG1  THR  41           1HG      THR  41   5.963  -2.562  10.987
  309   HG21  THR  41          3HG2      THR  41   7.919  -5.064  11.219
  310   HG22  THR  41          1HG2      THR  41   8.226  -3.378  11.636
  311   HG23  THR  41          2HG2      THR  41   9.123  -4.139  10.321
  312    HA   PRO  42           HA       PRO  42   9.329  -7.291   8.094
  313    HB2  PRO  42           2HB      PRO  42   7.508  -8.894   6.801
  314    HB3  PRO  42           1HB      PRO  42   7.474  -8.576   8.543
  315    HG2  PRO  42           2HG      PRO  42   5.656  -7.564   6.434
  316    HG3  PRO  42           1HG      PRO  42   5.392  -7.667   8.182
  317    HD2  PRO  42           2HD      PRO  42   6.109  -5.344   6.656
  318    HD3  PRO  42           1HD      PRO  42   5.919  -5.446   8.416
  319    H    ARG  43           H        ARG  43   9.908  -5.306   6.190
  320    HA   ARG  43           HA       ARG  43   9.506  -6.150   3.477
  321    HB2  ARG  43           2HB      ARG  43  11.139  -4.492   2.893
  322    HB3  ARG  43           1HB      ARG  43  10.243  -3.846   4.265
  323    HG2  ARG  43           2HG      ARG  43  12.379  -5.400   5.318
  324    HG3  ARG  43           1HG      ARG  43  13.055  -4.355   4.068
  325    HD2  ARG  43           2HD      ARG  43  11.167  -2.835   5.596
  326    HD3  ARG  43           1HD      ARG  43  12.276  -3.635   6.711
  327    HE   ARG  43           HE       ARG  43  13.141  -1.805   4.512
  328   HH11  ARG  43          1HH2      ARG  43  13.045  -1.641   7.723
  329   HH12  ARG  43          2HH2      ARG  43  14.752  -1.622   8.019
  330   HH21  ARG  43          1HH1      ARG  43  15.592  -2.561   4.789
  331   HH22  ARG  43          2HH1      ARG  43  16.193  -2.142   6.358
  332    H    GLY  44           H        GLY  44  12.068  -6.162   2.382
  333    HA2  GLY  44           2HA      GLY  44  14.180  -7.530   3.101
  334    HA3  GLY  44           1HA      GLY  44  12.997  -8.824   3.249
  335    H    ASP  45           H        ASP  45  14.618  -9.681   1.506
  336    HA   ASP  45           HA       ASP  45  14.079  -8.567  -1.182
  337    HB2  ASP  45           2HB      ASP  45  15.694 -10.420  -1.878
  338    HB3  ASP  45           1HB      ASP  45  16.367  -9.164  -0.839
  339    H    MET  46           H        MET  46  12.487 -10.607   0.841
  340    HA   MET  46           HA       MET  46  11.829 -12.724  -1.059
  341    HB2  MET  46           2HB      MET  46  11.381 -12.189   1.750
  342    HB3  MET  46           1HB      MET  46   9.885 -12.695   0.963
  343    HG2  MET  46           2HG      MET  46  10.977 -14.687   0.075
  344    HG3  MET  46           1HG      MET  46  12.527 -14.166   0.735
  345    HE1  MET  46           3HE      MET  46  11.844 -17.181   2.116
  346    HE2  MET  46           1HE      MET  46  12.787 -16.336   3.350
  347    HE3  MET  46           2HE      MET  46  13.051 -15.989   1.643
  348    HA   PRO  47           HA       PRO  47   7.751 -10.265  -1.289
  349    HB2  PRO  47           2HB      PRO  47   7.648  -7.855   0.033
  350    HB3  PRO  47           1HB      PRO  47   7.190  -9.400   0.764
  351    HG2  PRO  47           2HG      PRO  47   9.611  -7.748   1.243
  352    HG3  PRO  47           1HG      PRO  47   8.863  -8.967   2.289
  353    HD2  PRO  47           2HD      PRO  47  11.177  -9.307   0.652
  354    HD3  PRO  47           1HD      PRO  47  10.324 -10.574   1.553
  355    H    GLY  48           H        GLY  48   7.090  -8.671  -2.820
  356    HA2  GLY  48           2HA      GLY  48   9.134  -6.745  -3.738
  357    HA3  GLY  48           1HA      GLY  48   8.445  -7.862  -4.912
  358    HA   PRO  49           HA       PRO  49   4.738  -5.192  -3.500
  359    HB2  PRO  49           2HB      PRO  49   5.164  -3.396  -1.462
  360    HB3  PRO  49           1HB      PRO  49   4.667  -5.077  -1.211
  361    HG2  PRO  49           2HG      PRO  49   7.333  -3.833  -0.776
  362    HG3  PRO  49           1HG      PRO  49   6.589  -5.228   0.005
  363    HD2  PRO  49           2HD      PRO  49   8.543  -5.350  -2.019
  364    HD3  PRO  49           1HD      PRO  49   7.537  -6.699  -1.456
  365    H    TYR  50           H        TYR  50   4.504  -2.448  -2.933
  366    HA   TYR  50           HA       TYR  50   6.420  -1.225  -4.860
  367    HB2  TYR  50           2HB      TYR  50   3.681  -1.693  -5.312
  368    HB3  TYR  50           1HB      TYR  50   3.825   0.036  -4.992
  369    HD1  TYR  50           2HD      TYR  50   4.966  -2.742  -7.160
  370    HD2  TYR  50           1HD      TYR  50   5.026   1.501  -6.489
  371    HE1  TYR  50           2HE      TYR  50   5.915  -2.397  -9.424
  372    HE2  TYR  50           1HE      TYR  50   5.979   1.845  -8.754
  373    HH   TYR  50           HH       TYR  50   6.248   0.795 -10.812
  374    H    CYS  51           H        CYS  51   7.527  -0.358  -2.957
  375    HA   CYS  51           HA       CYS  51   6.067   1.615  -1.275
  376    HB2  CYS  51           2HB      CYS  51   8.296   0.109  -0.769
  377    HB3  CYS  51           1HB      CYS  51   9.007   1.634  -1.308
  378    H    CYS  52           H        CYS  52   5.845   3.663  -2.051
  379    HA   CYS  52           HA       CYS  52   7.898   4.662  -3.975
  380    HB2  CYS  52           2HB      CYS  52   5.922   4.065  -5.266
  381    HB3  CYS  52           1HB      CYS  52   4.908   5.038  -4.211
  382    H    GLU  53           H        GLU  53   8.059   6.972  -4.007
  383    HA   GLU  53           HA       GLU  53   7.253   8.139  -1.379
  384    HB2  GLU  53           2HB      GLU  53   9.399   9.340  -3.095
  385    HB3  GLU  53           1HB      GLU  53   9.236   9.351  -1.339
  386    HG2  GLU  53           2HG      GLU  53   9.760   6.953  -1.256
  387    HG3  GLU  53           1HG      GLU  53   9.883   6.908  -3.015
  388    H    SER  54           H        SER  54   5.344   8.202  -3.414
  389    HA   SER  54           HA       SER  54   5.241  11.136  -3.932
  390    HB2  SER  54           2HB      SER  54   3.948   9.488  -5.997
  391    HB3  SER  54           1HB      SER  54   4.978  10.906  -6.176
  392    HG   SER  54           HG       SER  54   6.657   9.647  -6.393
  393    H    ASP  55           H        ASP  55   2.999  11.938  -4.029
  394    HA   ASP  55           HA       ASP  55   1.285  10.492  -2.209
  395    HB2  ASP  55           2HB      ASP  55   0.114  12.591  -3.973
  396    HB3  ASP  55           1HB      ASP  55  -0.096  12.320  -2.247
  397    H    LYS  56           H        LYS  56  -0.523   9.267  -2.654
  398    HA   LYS  56           HA       LYS  56  -1.723   7.679  -3.936
  399    HB2  LYS  56           2HB      LYS  56  -1.666   9.903  -6.004
  400    HB3  LYS  56           1HB      LYS  56  -2.863   8.614  -5.868
  401    HG2  LYS  56           2HG      LYS  56  -3.184   9.580  -3.433
  402    HG3  LYS  56           1HG      LYS  56  -2.488  11.038  -4.142
  403    HD2  LYS  56           2HD      LYS  56  -4.237  11.248  -5.720
  404    HD3  LYS  56           1HD      LYS  56  -4.767   9.582  -5.480
  405    HE2  LYS  56           2HE      LYS  56  -5.052  10.512  -2.958
  406    HE3  LYS  56           1HE      LYS  56  -5.338  12.002  -3.857
  407    HZ1  LYS  56           3HZ      LYS  56  -6.666   9.529  -4.718
  408    HZ2  LYS  56           1HZ      LYS  56  -7.173  11.139  -4.889
  409    HZ3  LYS  56           2HZ      LYS  56  -7.283  10.371  -3.378
  410    H    CYS  57           H        CYS  57   1.112   7.457  -4.052
  411    HA   CYS  57           HA       CYS  57   1.816   7.063  -6.885
  412    HB2  CYS  57           2HB      CYS  57   3.348   7.992  -5.021
  413    HB3  CYS  57           1HB      CYS  57   3.530   6.311  -4.524
  414    H    ASN  58           H        ASN  58   0.701   5.075  -4.208
  415    HA   ASN  58           HA       ASN  58   1.644   2.647  -5.555
  416    HB2  ASN  58           2HB      ASN  58   0.245   1.592  -3.579
  417    HB3  ASN  58           1HB      ASN  58   1.834   2.286  -3.274
  418   HD21  ASN  58          1HD2      ASN  58   0.544   2.331  -1.004
  419   HD22  ASN  58          2HD2      ASN  58  -0.236   3.803  -0.668
  420    H    LEU  59           H        LEU  59   0.124   3.698  -7.366
  421    HA   LEU  59           HA       LEU  59  -2.538   2.366  -7.085
  422    HB2  LEU  59           2HB      LEU  59  -2.254   5.029  -7.325
  423    HB3  LEU  59           1HB      LEU  59  -2.193   4.597  -9.033
  424    HG   LEU  59           HG       LEU  59  -4.514   5.075  -8.233
  425   HD11  LEU  59          1HD1      LEU  59  -4.790   2.229  -8.777
  426   HD12  LEU  59          2HD1      LEU  59  -3.583   2.971  -9.826
  427   HD13  LEU  59          3HD1      LEU  59  -5.228   3.605  -9.788
  428   HD21  LEU  59          3HD2      LEU  59  -4.378   2.466  -6.738
  429   HD22  LEU  59          1HD2      LEU  59  -5.553   3.772  -6.579
  430   HD23  LEU  59          2HD2      LEU  59  -3.923   3.969  -5.934
  Start of MODEL    8
    1    H1   ARG   1           1HT      ARG   1   4.173  11.954   3.439
    2    H2   ARG   1           2HT      ARG   1   3.114  10.686   3.039
    3    H3   ARG   1           3HT      ARG   1   2.761  11.713   4.346
    4    HA   ARG   1           HA       ARG   1   2.217  13.496   3.000
    5    HB2  ARG   1           2HB      ARG   1   2.976  13.796   0.798
    6    HB3  ARG   1           1HB      ARG   1   4.332  12.963   1.555
    7    HG2  ARG   1           2HG      ARG   1   2.621  10.916   0.641
    8    HG3  ARG   1           1HG      ARG   1   2.665  12.100  -0.657
    9    HD2  ARG   1           2HD      ARG   1   5.105  10.947   0.681
   10    HD3  ARG   1           1HD      ARG   1   4.454  10.367  -0.834
   11    HE   ARG   1           HE       ARG   1   5.703  12.087  -1.795
   12   HH11  ARG   1          1HH2      ARG   1   3.779  14.214  -1.043
   13   HH12  ARG   1          2HH2      ARG   1   4.759  15.295  -0.110
   14   HH21  ARG   1          1HH1      ARG   1   7.297  12.989   0.395
   15   HH22  ARG   1          2HH1      ARG   1   6.749  14.603   0.703
   16    H    ILE   2           H        ILE   2   1.122  12.789   0.270
   17    HA   ILE   2           HA       ILE   2  -1.266  11.352   1.258
   18    HB   ILE   2           HB       ILE   2  -0.621  12.845  -1.287
   19   HG12  ILE   2          2HG1      ILE   2  -2.813  13.982  -0.447
   20   HG13  ILE   2          1HG1      ILE   2  -2.461  13.146   1.067
   21   HG21  ILE   2          1HG2      ILE   2  -3.133  12.305  -1.776
   22   HG22  ILE   2          2HG2      ILE   2  -2.874  10.932  -0.700
   23   HG23  ILE   2          3HG2      ILE   2  -1.917  11.091  -2.172
   24   HD11  ILE   2          3HD1      ILE   2  -1.524  15.583   0.652
   25   HD12  ILE   2          1HD1      ILE   2  -0.280  14.721  -0.254
   26   HD13  ILE   2          2HD1      ILE   2  -0.526  14.373   1.458
   27    H    CYS   3           H        CYS   3  -1.520   9.184   0.928
   28    HA   CYS   3           HA       CYS   3  -0.018   8.030  -1.362
   29    HB2  CYS   3           2HB      CYS   3  -0.375   6.826   1.392
   30    HB3  CYS   3           1HB      CYS   3   0.256   5.940   0.010
   31    H    TYR   4           H        TYR   4  -0.960   5.750  -1.894
   32    HA   TYR   4           HA       TYR   4  -3.847   6.135  -2.282
   33    HB2  TYR   4           2HB      TYR   4  -1.744   4.759  -3.674
   34    HB3  TYR   4           1HB      TYR   4  -3.030   3.612  -3.296
   35    HD1  TYR   4           2HD      TYR   4  -5.453   4.303  -3.855
   36    HD2  TYR   4           1HD      TYR   4  -1.994   6.309  -5.421
   37    HE1  TYR   4           2HE      TYR   4  -6.835   5.271  -5.671
   38    HE2  TYR   4           1HE      TYR   4  -3.374   7.278  -7.236
   39    HH   TYR   4           HH       TYR   4  -5.827   7.828  -7.585
   40    H    ASN   5           H        ASN   5  -5.423   4.940  -1.326
   41    HA   ASN   5           HA       ASN   5  -4.563   2.975   0.749
   42    HB2  ASN   5           2HB      ASN   5  -5.607   4.871   1.791
   43    HB3  ASN   5           1HB      ASN   5  -6.928   4.860   0.624
   44   HD21  ASN   5          1HD2      ASN   5  -5.583   1.939   2.169
   45   HD22  ASN   5          2HD2      ASN   5  -6.996   1.548   3.021
   46    H    HIS   6           H        HIS   6  -5.508   2.758  -2.290
   47    HA   HIS   6           HA       HIS   6  -7.974   1.292  -2.167
   48    HB2  HIS   6           2HB      HIS   6  -7.411   2.048  -4.293
   49    HB3  HIS   6           1HB      HIS   6  -5.782   1.436  -4.213
   50    HD1  HIS   6           1HD      HIS   6  -9.159  -0.260  -3.669
   51    HD2  HIS   6           2HD      HIS   6  -5.726  -0.713  -5.982
   52    HE1  HIS   6           1HE      HIS   6  -9.474  -2.381  -5.016
   53    H    LEU   7           H        LEU   7  -8.385  -0.760  -1.725
   54    HA   LEU   7           HA       LEU   7  -6.096  -2.493  -0.884
   55    HB2  LEU   7           2HB      LEU   7  -8.956  -3.045  -0.153
   56    HB3  LEU   7           1HB      LEU   7  -7.483  -3.469   0.719
   57    HG   LEU   7           HG       LEU   7  -8.628  -0.681   0.390
   58   HD11  LEU   7          1HD1      LEU   7  -8.741  -0.867   2.919
   59   HD12  LEU   7          2HD1      LEU   7  -8.386  -2.584   2.734
   60   HD13  LEU   7          3HD1      LEU   7  -9.864  -1.912   2.048
   61   HD21  LEU   7          3HD2      LEU   7  -6.724  -0.267   2.147
   62   HD22  LEU   7          1HD2      LEU   7  -6.310  -0.330   0.433
   63   HD23  LEU   7          2HD2      LEU   7  -6.020  -1.733   1.462
   64    H    GLY   8           H        GLY   8  -5.793  -4.496  -1.790
   65    HA2  GLY   8           2HA      GLY   8  -5.900  -5.875  -3.783
   66    HA3  GLY   8           1HA      GLY   8  -7.237  -6.448  -2.797
   67    H    THR   9           H        THR   9  -9.144  -6.548  -3.818
   68    HA   THR   9           HA       THR   9  -9.549  -4.870  -6.257
   69    HB   THR   9           HB       THR   9 -11.582  -6.674  -6.324
   70    HG1  THR   9           1HG      THR   9  -9.372  -7.965  -5.102
   71   HG21  THR   9          3HG2      THR   9 -10.470  -6.896  -8.270
   72   HG22  THR   9          1HG2      THR   9  -9.434  -8.067  -7.454
   73   HG23  THR   9          2HG2      THR   9  -8.957  -6.370  -7.533
   74    H    LYS  10           H        LYS  10  -9.876  -3.673  -3.739
   75    HA   LYS  10           HA       LYS  10 -12.822  -3.582  -3.288
   76    HB2  LYS  10           2HB      LYS  10 -10.499  -3.412  -1.626
   77    HB3  LYS  10           1HB      LYS  10 -11.341  -1.867  -1.527
   78    HG2  LYS  10           2HG      LYS  10 -13.472  -3.145  -1.097
   79    HG3  LYS  10           1HG      LYS  10 -12.506  -4.618  -1.008
   80    HD2  LYS  10           2HD      LYS  10 -11.430  -2.451   0.644
   81    HD3  LYS  10           1HD      LYS  10 -13.058  -2.932   1.119
   82    HE2  LYS  10           2HE      LYS  10 -12.360  -5.263   1.301
   83    HE3  LYS  10           1HE      LYS  10 -10.749  -4.856   0.713
   84    HZ1  LYS  10           3HZ      LYS  10 -10.206  -4.511   2.822
   85    HZ2  LYS  10           1HZ      LYS  10 -11.817  -4.633   3.341
   86    HZ3  LYS  10           2HZ      LYS  10 -11.210  -3.140   2.803
   87    HA   PRO  11           HA       PRO  11 -13.155   0.490  -4.964
   88    HB2  PRO  11           2HB      PRO  11 -14.012   2.152  -2.933
   89    HB3  PRO  11           1HB      PRO  11 -15.066   1.004  -3.776
   90    HG2  PRO  11           2HG      PRO  11 -13.854   0.797  -1.053
   91    HG3  PRO  11           1HG      PRO  11 -15.373   0.117  -1.659
   92    HD2  PRO  11           2HD      PRO  11 -13.015  -1.323  -1.297
   93    HD3  PRO  11           1HD      PRO  11 -14.358  -1.839  -2.334
   94    HA   PRO  12           HA       PRO  12  -9.059   1.787  -3.841
   95    HB2  PRO  12           2HB      PRO  12  -8.572   3.197  -6.157
   96    HB3  PRO  12           1HB      PRO  12  -8.404   1.441  -6.006
   97    HG2  PRO  12           2HG      PRO  12 -10.581   3.015  -7.309
   98    HG3  PRO  12           1HG      PRO  12  -9.999   1.383  -7.680
   99    HD2  PRO  12           2HD      PRO  12 -12.340   1.978  -6.241
  100    HD3  PRO  12           1HD      PRO  12 -11.514   0.404  -6.255
  101    H    THR  13           H        THR  13  -8.534   3.442  -2.553
  102    HA   THR  13           HA       THR  13  -9.480   6.175  -3.244
  103    HB   THR  13           HB       THR  13 -11.142   5.931  -1.688
  104    HG1  THR  13           1HG      THR  13  -9.681   7.365  -0.722
  105   HG21  THR  13          3HG2      THR  13  -9.495   3.610  -0.832
  106   HG22  THR  13          1HG2      THR  13 -11.231   3.710  -1.124
  107   HG23  THR  13          2HG2      THR  13 -10.555   4.313   0.388
  108    H    THR  14           H        THR  14  -8.102   7.819  -2.372
  109    HA   THR  14           HA       THR  14  -5.441   6.791  -1.613
  110    HB   THR  14           HB       THR  14  -4.898   9.334  -1.694
  111    HG1  THR  14           1HG      THR  14  -6.588  10.512  -2.026
  112   HG21  THR  14          3HG2      THR  14  -5.805   8.420  -4.372
  113   HG22  THR  14          1HG2      THR  14  -4.696   7.357  -3.506
  114   HG23  THR  14          2HG2      THR  14  -4.227   9.020  -3.858
  115    H    GLU  15           H        GLU  15  -4.309   8.096   0.195
  116    HA   GLU  15           HA       GLU  15  -6.132   9.070   2.298
  117    HB2  GLU  15           2HB      GLU  15  -5.409   7.444   3.967
  118    HB3  GLU  15           1HB      GLU  15  -6.107   6.586   2.592
  119    HG2  GLU  15           2HG      GLU  15  -4.153   5.377   2.850
  120    HG3  GLU  15           1HG      GLU  15  -3.582   6.628   1.744
  121    H    THR  16           H        THR  16  -5.116  10.685   3.392
  122    HA   THR  16           HA       THR  16  -2.317  11.249   2.768
  123    HB   THR  16           HB       THR  16  -3.604  12.780   4.944
  124    HG1  THR  16           1HG      THR  16  -5.446  12.590   3.845
  125   HG21  THR  16          3HG2      THR  16  -2.053  14.210   4.180
  126   HG22  THR  16          1HG2      THR  16  -2.941  14.335   2.662
  127   HG23  THR  16          2HG2      THR  16  -1.677  13.119   2.847
  128    H    CYS  17           H        CYS  17  -0.580  10.978   4.130
  129    HA   CYS  17           HA       CYS  17  -1.084   9.985   6.893
  130    HB2  CYS  17           2HB      CYS  17  -0.405   8.312   4.773
  131    HB3  CYS  17           1HB      CYS  17   1.134   8.625   5.572
  132    H    GLN  18           H        GLN  18   1.425   9.589   7.778
  133    HA   GLN  18           HA       GLN  18   2.640  12.269   7.455
  134    HB2  GLN  18           2HB      GLN  18   2.386  11.607   9.747
  135    HB3  GLN  18           1HB      GLN  18   3.110  10.040   9.442
  136    HG2  GLN  18           2HG      GLN  18   4.554  12.008  10.501
  137    HG3  GLN  18           1HG      GLN  18   5.264  10.880   9.358
  138   HE21  GLN  18          1HE2      GLN  18   3.060  13.647   8.657
  139   HE22  GLN  18          2HE2      GLN  18   4.151  14.446   7.630
  140    H    GLU  19           H        GLU  19   3.594   8.851   7.401
  141    HA   GLU  19           HA       GLU  19   6.259   9.383   6.476
  142    HB2  GLU  19           2HB      GLU  19   4.974   6.865   5.570
  143    HB3  GLU  19           1HB      GLU  19   6.539   7.099   6.330
  144    HG2  GLU  19           2HG      GLU  19   5.520   6.210   8.164
  145    HG3  GLU  19           1HG      GLU  19   4.894   7.845   8.369
  146    H    ASP  20           H        ASP  20   6.901   9.994   4.501
  147    HA   ASP  20           HA       ASP  20   4.915  10.542   2.466
  148    HB2  ASP  20           2HB      ASP  20   7.399  10.665   1.164
  149    HB3  ASP  20           1HB      ASP  20   6.490  12.017   1.824
  150    H    SER  21           H        SER  21   6.358   7.712   3.379
  151    HA   SER  21           HA       SER  21   6.744   6.610   0.712
  152    HB2  SER  21           2HB      SER  21   6.449   4.571   2.697
  153    HB3  SER  21           1HB      SER  21   7.915   5.083   1.867
  154    HG   SER  21           HG       SER  21   8.137   5.404   4.087
  155    H    CYS  22           H        CYS  22   5.332   5.004  -0.237
  156    HA   CYS  22           HA       CYS  22   2.650   4.739   1.042
  157    HB2  CYS  22           2HB      CYS  22   3.033   4.972  -1.949
  158    HB3  CYS  22           1HB      CYS  22   1.540   5.101  -1.030
  159    H    TYR  23           H        TYR  23   2.420   2.540   1.391
  160    HA   TYR  23           HA       TYR  23   4.066   0.811  -0.384
  161    HB2  TYR  23           2HB      TYR  23   4.170  -0.815   1.354
  162    HB3  TYR  23           1HB      TYR  23   4.514   0.728   2.102
  163    HD1  TYR  23           1HD      TYR  23   1.765  -1.714   1.466
  164    HD2  TYR  23           2HD      TYR  23   3.174   1.542   3.890
  165    HE1  TYR  23           1HE      TYR  23  -0.120  -2.067   3.026
  166    HE2  TYR  23           2HE      TYR  23   1.280   1.189   5.450
  167    HH   TYR  23           HH       TYR  23  -1.322  -0.095   4.931
  168    H    LYS  24           H        LYS  24   3.242  -0.779  -1.460
  169    HA   LYS  24           HA       LYS  24   0.419  -1.583  -1.025
  170    HB2  LYS  24           2HB      LYS  24   0.201  -0.053  -2.809
  171    HB3  LYS  24           1HB      LYS  24   1.624  -0.674  -3.620
  172    HG2  LYS  24           2HG      LYS  24   0.490  -2.836  -3.952
  173    HG3  LYS  24           1HG      LYS  24  -0.947  -2.189  -3.151
  174    HD2  LYS  24           2HD      LYS  24  -1.013  -2.073  -5.663
  175    HD3  LYS  24           1HD      LYS  24  -1.235  -0.526  -4.846
  176    HE2  LYS  24           2HE      LYS  24   0.901   0.230  -5.403
  177    HE3  LYS  24           1HE      LYS  24   1.520  -1.401  -5.649
  178    HZ1  LYS  24           3HZ      LYS  24  -0.468  -0.040  -7.387
  179    HZ2  LYS  24           1HZ      LYS  24   0.168  -1.593  -7.632
  180    HZ3  LYS  24           2HZ      LYS  24   1.182  -0.235  -7.747
  181    H    ASN  25           H        ASN  25   0.805  -3.590  -0.358
  182    HA   ASN  25           HA       ASN  25   2.769  -5.226  -1.919
  183    HB2  ASN  25           2HB      ASN  25   1.974  -6.250   0.733
  184    HB3  ASN  25           1HB      ASN  25   3.566  -6.082   0.045
  185   HD21  ASN  25          1HD2      ASN  25   3.464  -3.228  -0.471
  186   HD22  ASN  25          2HD2      ASN  25   3.370  -2.433   1.014
  187    H    ILE  26           H        ILE  26   2.095  -7.773  -1.376
  188    HA   ILE  26           HA       ILE  26  -0.768  -7.925  -2.232
  189    HB   ILE  26           HB       ILE  26  -0.189  -9.855  -3.594
  190   HG12  ILE  26          2HG1      ILE  26   1.731 -10.461  -1.923
  191   HG13  ILE  26          1HG1      ILE  26   1.928 -10.862  -3.627
  192   HG21  ILE  26          1HG2      ILE  26   1.681  -8.637  -5.029
  193   HG22  ILE  26          2HG2      ILE  26   1.329  -7.300  -3.935
  194   HG23  ILE  26          3HG2      ILE  26   0.046  -7.983  -4.934
  195   HD11  ILE  26          3HD1      ILE  26   3.691  -9.467  -3.846
  196   HD12  ILE  26          1HD1      ILE  26   3.702  -9.368  -2.085
  197   HD13  ILE  26          2HD1      ILE  26   2.846  -8.153  -3.031
  198    H    TRP  27           H        TRP  27   1.516  -8.933   0.108
  199    HA   TRP  27           HA       TRP  27  -0.050 -11.340   0.825
  200    HB2  TRP  27           2HB      TRP  27   1.731 -10.855   2.916
  201    HB3  TRP  27           1HB      TRP  27   1.956 -12.008   1.604
  202    HD1  TRP  27           HD       TRP  27   3.244 -10.994  -0.633
  203    HE1  TRP  27           1HE      TRP  27   5.183  -9.295  -0.740
  204    HE3  TRP  27           3HE      TRP  27   2.811  -8.874   3.991
  205    HZ2  TRP  27           2HZ      TRP  27   6.386  -7.299   0.919
  206    HZ3  TRP  27           3HZ      TRP  27   4.364  -7.078   4.702
  207    HH2  TRP  27           HH       TRP  27   6.148  -6.292   3.173
  208    H    THR  28           H        THR  28  -1.720 -11.245   2.243
  209    HA   THR  28           HA       THR  28  -1.683  -9.324   4.450
  210    HB   THR  28           HB       THR  28  -2.545  -8.150   2.298
  211    HG1  THR  28           1HG      THR  28  -2.849  -7.144   4.208
  212   HG21  THR  28          3HG2      THR  28  -5.003  -9.749   3.071
  213   HG22  THR  28          1HG2      THR  28  -4.048 -10.000   1.608
  214   HG23  THR  28          2HG2      THR  28  -4.929  -8.490   1.839
  215    H    PHE  29           H        PHE  29  -3.706  -9.589   5.811
  216    HA   PHE  29           HA       PHE  29  -4.604 -12.433   5.673
  217    HB2  PHE  29           2HB      PHE  29  -3.475 -12.019   7.742
  218    HB3  PHE  29           1HB      PHE  29  -4.325 -10.492   7.978
  219    HD1  PHE  29           2HD      PHE  29  -4.605 -14.165   8.110
  220    HD2  PHE  29           1HD      PHE  29  -6.647 -10.435   8.727
  221    HE1  PHE  29           2HE      PHE  29  -6.407 -15.353   9.330
  222    HE2  PHE  29           1HE      PHE  29  -8.450 -11.625   9.946
  223    HZ   PHE  29           HZ       PHE  29  -8.329 -14.084  10.250
  224    H    ASP  30           H        ASP  30  -5.654  -9.361   4.944
  225    HA   ASP  30           HA       ASP  30  -8.470  -9.940   5.732
  226    HB2  ASP  30           2HB      ASP  30  -8.042  -7.367   4.431
  227    HB3  ASP  30           1HB      ASP  30  -8.739  -7.713   6.012
  228    H    ASN  31           H        ASN  31  -7.107  -8.160   2.953
  229    HA   ASN  31           HA       ASN  31  -8.907  -9.786   1.207
  230    HB2  ASN  31           2HB      ASN  31  -7.978  -6.940   1.135
  231    HB3  ASN  31           1HB      ASN  31  -8.344  -7.746  -0.392
  232   HD21  ASN  31          1HD2      ASN  31 -10.582  -8.803  -0.506
  233   HD22  ASN  31          2HD2      ASN  31 -11.854  -8.068   0.346
  234    H    ILE  32           H        ILE  32  -6.250  -7.787   0.052
  235    HA   ILE  32           HA       ILE  32  -4.445 -10.050  -0.301
  236    HB   ILE  32           HB       ILE  32  -5.766 -10.681  -2.127
  237   HG12  ILE  32          2HG1      ILE  32  -4.516  -9.968  -4.169
  238   HG13  ILE  32          1HG1      ILE  32  -3.702  -8.744  -3.195
  239   HG21  ILE  32          1HG2      ILE  32  -7.301  -9.343  -3.059
  240   HG22  ILE  32          2HG2      ILE  32  -6.057  -8.223  -3.613
  241   HG23  ILE  32          3HG2      ILE  32  -6.736  -8.055  -1.996
  242   HD11  ILE  32          3HD1      ILE  32  -2.155 -10.377  -2.850
  243   HD12  ILE  32          1HD1      ILE  32  -3.278 -11.666  -3.283
  244   HD13  ILE  32          2HD1      ILE  32  -3.315 -10.973  -1.662
  245    H    ILE  33           H        ILE  33  -5.014  -7.081  -2.221
  246    HA   ILE  33           HA       ILE  33  -2.195  -6.326  -1.741
  247    HB   ILE  33           HB       ILE  33  -4.100  -4.641  -3.334
  248   HG12  ILE  33          2HG1      ILE  33  -4.431  -7.096  -3.930
  249   HG13  ILE  33          1HG1      ILE  33  -3.935  -6.051  -5.259
  250   HG21  ILE  33          1HG2      ILE  33  -2.114  -4.174  -4.633
  251   HG22  ILE  33          2HG2      ILE  33  -1.225  -5.464  -3.825
  252   HG23  ILE  33          3HG2      ILE  33  -1.693  -4.019  -2.928
  253   HD11  ILE  33          3HD1      ILE  33  -1.848  -6.988  -5.398
  254   HD12  ILE  33          1HD1      ILE  33  -2.691  -8.375  -4.712
  255   HD13  ILE  33          2HD1      ILE  33  -1.763  -7.303  -3.665
  256    H    ARG  34           H        ARG  34  -1.634  -4.296  -0.737
  257    HA   ARG  34           HA       ARG  34  -3.906  -2.777   0.396
  258    HB2  ARG  34           2HB      ARG  34  -2.853  -4.656   1.981
  259    HB3  ARG  34           1HB      ARG  34  -1.731  -3.334   2.324
  260    HG2  ARG  34           2HG      ARG  34  -3.400  -1.948   3.154
  261    HG3  ARG  34           1HG      ARG  34  -4.660  -2.761   2.234
  262    HD2  ARG  34           2HD      ARG  34  -4.109  -4.815   3.714
  263    HD3  ARG  34           1HD      ARG  34  -3.326  -3.643   4.775
  264    HE   ARG  34           HE       ARG  34  -6.213  -3.426   4.011
  265   HH11  ARG  34          1HH2      ARG  34  -4.937  -4.811   6.557
  266   HH12  ARG  34          2HH2      ARG  34  -5.315  -3.606   7.742
  267   HH21  ARG  34          1HH1      ARG  34  -6.135  -1.181   5.401
  268   HH22  ARG  34          2HH1      ARG  34  -5.993  -1.550   7.088
  269    H    ARG  35           H        ARG  35  -3.530  -0.826  -0.266
  270    HA   ARG  35           HA       ARG  35  -0.798   0.224  -0.567
  271    HB2  ARG  35           2HB      ARG  35  -3.450   1.516  -1.227
  272    HB3  ARG  35           1HB      ARG  35  -1.860   2.086  -1.717
  273    HG2  ARG  35           2HG      ARG  35  -1.574   0.392  -3.271
  274    HG3  ARG  35           1HG      ARG  35  -2.617  -0.724  -2.393
  275    HD2  ARG  35           2HD      ARG  35  -4.491   1.016  -2.984
  276    HD3  ARG  35           1HD      ARG  35  -3.373   1.495  -4.260
  277    HE   ARG  35           HE       ARG  35  -4.842  -1.038  -4.119
  278   HH11  ARG  35          1HH1      ARG  35  -3.276   1.118  -6.115
  279   HH12  ARG  35          2HH1      ARG  35  -2.578  -0.070  -7.166
  280   HH21  ARG  35          1HH2      ARG  35  -3.483  -2.754  -5.168
  281   HH22  ARG  35          2HH2      ARG  35  -2.697  -2.262  -6.630
  282    H    GLY  36           H        GLY  36  -0.000   0.856   1.437
  283    HA2  GLY  36           2HA      GLY  36  -1.785   2.630   3.058
  284    HA3  GLY  36           1HA      GLY  36  -0.624   1.524   3.787
  285    H    CYS  37           H        CYS  37   0.073   3.650   4.810
  286    HA   CYS  37           HA       CYS  37   1.836   5.205   2.971
  287    HB2  CYS  37           2HB      CYS  37   1.817   6.905   4.835
  288    HB3  CYS  37           1HB      CYS  37   0.245   6.624   4.094
  289    H    GLY  38           H        GLY  38   3.967   4.778   3.137
  290    HA2  GLY  38           2HA      GLY  38   6.003   4.663   4.518
  291    HA3  GLY  38           1HA      GLY  38   5.045   3.832   5.751
  292    H    CYS  39           H        CYS  39   6.700   2.069   5.499
  293    HA   CYS  39           HA       CYS  39   6.125   0.460   3.036
  294    HB2  CYS  39           2HB      CYS  39   8.587   0.298   4.780
  295    HB3  CYS  39           1HB      CYS  39   8.291  -0.638   3.327
  296    H    PHE  40           H        PHE  40   6.330  -1.911   3.371
  297    HA   PHE  40           HA       PHE  40   4.506  -2.816   5.429
  298    HB2  PHE  40           2HB      PHE  40   5.740  -5.137   4.645
  299    HB3  PHE  40           1HB      PHE  40   4.438  -4.373   3.722
  300    HD1  PHE  40           1HD      PHE  40   8.062  -4.951   3.919
  301    HD2  PHE  40           2HD      PHE  40   4.902  -2.957   1.834
  302    HE1  PHE  40           1HE      PHE  40   9.639  -4.325   2.108
  303    HE2  PHE  40           2HE      PHE  40   6.457  -2.341   0.022
  304    HZ   PHE  40           HZ       PHE  40   8.849  -3.014   0.173
  305    H    THR  41           H        THR  41   5.351  -4.893   6.756
  306    HA   THR  41           HA       THR  41   7.478  -3.809   8.463
  307    HB   THR  41           HB       THR  41   5.345  -5.870   8.806
  308    HG1  THR  41           1HG      THR  41   6.228  -3.499   9.927
  309   HG21  THR  41          3HG2      THR  41   6.388  -6.631  10.913
  310   HG22  THR  41          1HG2      THR  41   7.831  -5.689  10.535
  311   HG23  THR  41          2HG2      THR  41   7.382  -7.061   9.521
  312    HA   PRO  42           HA       PRO  42   9.588  -7.891   7.385
  313    HB2  PRO  42           2HB      PRO  42   8.337  -9.670   5.710
  314    HB3  PRO  42           1HB      PRO  42   8.072  -9.629   7.463
  315    HG2  PRO  42           2HG      PRO  42   6.242  -8.800   5.292
  316    HG3  PRO  42           1HG      PRO  42   5.871  -9.177   6.982
  317    HD2  PRO  42           2HD      PRO  42   6.161  -6.576   5.766
  318    HD3  PRO  42           1HD      PRO  42   5.774  -6.939   7.460
  319    H    ARG  43           H        ARG  43   9.855  -5.578   5.813
  320    HA   ARG  43           HA       ARG  43   9.728  -5.869   3.024
  321    HB2  ARG  43           2HB      ARG  43  11.865  -4.375   3.087
  322    HB3  ARG  43           1HB      ARG  43  10.371  -3.735   3.764
  323    HG2  ARG  43           2HG      ARG  43  11.980  -5.309   5.665
  324    HG3  ARG  43           1HG      ARG  43  12.762  -3.831   5.104
  325    HD2  ARG  43           2HD      ARG  43   9.949  -3.384   5.714
  326    HD3  ARG  43           1HD      ARG  43  10.825  -4.012   7.111
  327    HE   ARG  43           HE       ARG  43  11.663  -1.821   7.285
  328   HH11  ARG  43          1HH2      ARG  43  10.088  -0.818   4.900
  329   HH12  ARG  43          2HH2      ARG  43  11.353  -0.245   3.866
  330   HH21  ARG  43          1HH1      ARG  43  13.866  -1.934   5.559
  331   HH22  ARG  43          2HH1      ARG  43  13.492  -0.881   4.236
  332    H    GLY  44           H        GLY  44  11.598  -6.245   1.521
  333    HA2  GLY  44           2HA      GLY  44  14.004  -7.438   1.998
  334    HA3  GLY  44           1HA      GLY  44  12.870  -8.772   2.188
  335    H    ASP  45           H        ASP  45  14.463  -9.292   0.191
  336    HA   ASP  45           HA       ASP  45  13.505  -8.090  -2.326
  337    HB2  ASP  45           2HB      ASP  45  15.887  -9.357  -1.487
  338    HB3  ASP  45           1HB      ASP  45  15.166 -10.426  -2.692
  339    H    MET  46           H        MET  46  12.788 -10.788  -0.322
  340    HA   MET  46           HA       MET  46  11.850 -12.641  -2.273
  341    HB2  MET  46           2HB      MET  46  11.720 -12.335   0.611
  342    HB3  MET  46           1HB      MET  46  10.203 -12.962  -0.036
  343    HG2  MET  46           2HG      MET  46  11.137 -14.977  -0.401
  344    HG3  MET  46           1HG      MET  46  12.425 -14.245  -1.357
  345    HE1  MET  46           3HE      MET  46  13.686 -16.409  -0.412
  346    HE2  MET  46           1HE      MET  46  15.005 -15.917   0.658
  347    HE3  MET  46           2HE      MET  46  14.660 -14.994  -0.802
  348    HA   PRO  47           HA       PRO  47   7.583 -10.559  -1.755
  349    HB2  PRO  47           2HB      PRO  47   7.493  -8.228  -0.285
  350    HB3  PRO  47           1HB      PRO  47   7.266  -9.843   0.405
  351    HG2  PRO  47           2HG      PRO  47   9.608  -8.024   0.621
  352    HG3  PRO  47           1HG      PRO  47   9.100  -9.330   1.704
  353    HD2  PRO  47           2HD      PRO  47  11.182  -9.447  -0.230
  354    HD3  PRO  47           1HD      PRO  47  10.520 -10.818   0.683
  355    H    GLY  48           H        GLY  48   6.558  -8.858  -3.029
  356    HA2  GLY  48           2HA      GLY  48   8.430  -6.911  -4.249
  357    HA3  GLY  48           1HA      GLY  48   7.409  -7.906  -5.277
  358    HA   PRO  49           HA       PRO  49   4.329  -5.078  -2.928
  359    HB2  PRO  49           2HB      PRO  49   5.351  -3.484  -0.950
  360    HB3  PRO  49           1HB      PRO  49   4.783  -5.133  -0.674
  361    HG2  PRO  49           2HG      PRO  49   7.570  -4.122  -0.871
  362    HG3  PRO  49           1HG      PRO  49   6.947  -5.479   0.079
  363    HD2  PRO  49           2HD      PRO  49   8.337  -5.686  -2.336
  364    HD3  PRO  49           1HD      PRO  49   7.318  -6.951  -1.618
  365    H    TYR  50           H        TYR  50   4.299  -2.405  -2.303
  366    HA   TYR  50           HA       TYR  50   6.050  -1.121  -4.349
  367    HB2  TYR  50           2HB      TYR  50   3.302  -1.552  -4.627
  368    HB3  TYR  50           1HB      TYR  50   3.446   0.147  -4.176
  369    HD1  TYR  50           1HD      TYR  50   5.958   1.000  -5.328
  370    HD2  TYR  50           2HD      TYR  50   3.006  -1.664  -6.955
  371    HE1  TYR  50           1HE      TYR  50   6.725   1.551  -7.620
  372    HE2  TYR  50           2HE      TYR  50   3.774  -1.112  -9.248
  373    HH   TYR  50           HH       TYR  50   6.631   0.257  -9.949
  374    H    CYS  51           H        CYS  51   7.141  -0.632  -2.049
  375    HA   CYS  51           HA       CYS  51   5.801   1.624  -0.636
  376    HB2  CYS  51           2HB      CYS  51   7.401  -0.167   0.458
  377    HB3  CYS  51           1HB      CYS  51   8.652   0.920  -0.154
  378    H    CYS  52           H        CYS  52   6.191   3.680  -1.199
  379    HA   CYS  52           HA       CYS  52   8.711   4.470  -2.499
  380    HB2  CYS  52           2HB      CYS  52   6.861   5.800  -4.103
  381    HB3  CYS  52           1HB      CYS  52   7.896   4.479  -4.609
  382    H    GLU  53           H        GLU  53   9.128   6.691  -2.229
  383    HA   GLU  53           HA       GLU  53   7.454   7.957  -0.185
  384    HB2  GLU  53           2HB      GLU  53   9.817   9.302  -1.442
  385    HB3  GLU  53           1HB      GLU  53   9.201   9.413   0.208
  386    HG2  GLU  53           2HG      GLU  53  10.050   7.280   0.799
  387    HG3  GLU  53           1HG      GLU  53  10.318   6.829  -0.882
  388    H    SER  54           H        SER  54   6.747   7.653  -3.208
  389    HA   SER  54           HA       SER  54   6.337  10.518  -3.863
  390    HB2  SER  54           2HB      SER  54   5.061   9.128  -5.839
  391    HB3  SER  54           1HB      SER  54   6.759   9.586  -5.900
  392    HG   SER  54           HG       SER  54   6.670   7.403  -6.241
  393    H    ASP  55           H        ASP  55   4.160  11.369  -4.151
  394    HA   ASP  55           HA       ASP  55   2.298  10.363  -2.200
  395    HB2  ASP  55           2HB      ASP  55   1.689  12.257  -4.481
  396    HB3  ASP  55           1HB      ASP  55   0.793  12.085  -2.977
  397    H    LYS  56           H        LYS  56   0.220   9.470  -2.583
  398    HA   LYS  56           HA       LYS  56  -0.941   7.588  -3.454
  399    HB2  LYS  56           2HB      LYS  56  -2.276   8.267  -5.300
  400    HB3  LYS  56           1HB      LYS  56  -1.899   9.746  -4.423
  401    HG2  LYS  56           2HG      LYS  56   0.167   9.187  -6.373
  402    HG3  LYS  56           1HG      LYS  56  -1.417   9.221  -7.146
  403    HD2  LYS  56           2HD      LYS  56  -1.872  11.398  -5.991
  404    HD3  LYS  56           1HD      LYS  56  -0.211  11.381  -5.398
  405    HE2  LYS  56           2HE      LYS  56  -0.698  11.014  -8.332
  406    HE3  LYS  56           1HE      LYS  56  -0.807  12.637  -7.647
  407    HZ1  LYS  56           3HZ      LYS  56   1.463  11.689  -8.480
  408    HZ2  LYS  56           1HZ      LYS  56   1.497  10.964  -6.947
  409    HZ3  LYS  56           2HZ      LYS  56   1.388  12.654  -7.085
  410    H    CYS  57           H        CYS  57   1.937   7.259  -3.850
  411    HA   CYS  57           HA       CYS  57   2.451   6.416  -6.569
  412    HB2  CYS  57           2HB      CYS  57   4.350   6.942  -5.250
  413    HB3  CYS  57           1HB      CYS  57   3.832   5.883  -3.941
  414    H    ASN  58           H        ASN  58   0.779   4.885  -3.945
  415    HA   ASN  58           HA       ASN  58   1.349   2.170  -4.543
  416    HB2  ASN  58           2HB      ASN  58  -1.441   2.734  -3.769
  417    HB3  ASN  58           1HB      ASN  58  -0.269   1.642  -3.050
  418   HD21  ASN  58          1HD2      ASN  58  -0.179   2.253  -0.917
  419   HD22  ASN  58          2HD2      ASN  58  -0.008   3.847  -0.358
  420    H    LEU  59           H        LEU  59  -0.259   4.479  -6.439
  421    HA   LEU  59           HA       LEU  59  -1.399   2.241  -8.031
  422    HB2  LEU  59           2HB      LEU  59  -3.210   3.514  -6.947
  423    HB3  LEU  59           1HB      LEU  59  -2.603   5.001  -7.672
  424    HG   LEU  59           HG       LEU  59  -3.210   4.339  -9.848
  425   HD11  LEU  59          1HD1      LEU  59  -2.274   2.153 -10.011
  426   HD12  LEU  59          2HD1      LEU  59  -4.005   1.929 -10.265
  427   HD13  LEU  59          3HD1      LEU  59  -3.285   1.539  -8.703
  428   HD21  LEU  59          3HD2      LEU  59  -5.556   3.752  -9.693
  429   HD22  LEU  59          1HD2      LEU  59  -5.160   4.781  -8.315
  430   HD23  LEU  59          2HD2      LEU  59  -5.317   3.037  -8.099
  Start of MODEL    9
    1    H1   ARG   1           1HT      ARG   1   3.195  11.838   3.358
    2    H2   ARG   1           2HT      ARG   1   4.180  12.634   2.235
    3    H3   ARG   1           3HT      ARG   1   3.057  11.470   1.713
    4    HA   ARG   1           HA       ARG   1   2.167  13.882   3.154
    5    HB2  ARG   1           2HB      ARG   1   1.717  14.035   0.291
    6    HB3  ARG   1           1HB      ARG   1   2.399  15.235   1.369
    7    HG2  ARG   1           2HG      ARG   1   4.042  14.722  -0.319
    8    HG3  ARG   1           1HG      ARG   1   4.609  14.059   1.206
    9    HD2  ARG   1           2HD      ARG   1   4.296  11.863   0.519
   10    HD3  ARG   1           1HD      ARG   1   2.982  12.269  -0.570
   11    HE   ARG   1           HE       ARG   1   5.117  11.734  -1.823
   12   HH11  ARG   1          1HH1      ARG   1   6.956  13.568  -0.365
   13   HH12  ARG   1          2HH1      ARG   1   7.037  14.933  -1.429
   14   HH21  ARG   1          1HH2      ARG   1   4.208  14.034  -3.223
   15   HH22  ARG   1          2HH2      ARG   1   5.481  15.196  -3.049
   16    H    ILE   2           H        ILE   2   1.097  12.385   0.103
   17    HA   ILE   2           HA       ILE   2  -1.256  11.295   1.592
   18    HB   ILE   2           HB       ILE   2  -1.349  12.585  -1.143
   19   HG12  ILE   2          2HG1      ILE   2  -2.890  13.769   1.045
   20   HG13  ILE   2          1HG1      ILE   2  -1.149  13.785   1.330
   21   HG21  ILE   2          1HG2      ILE   2  -3.141  11.135  -1.205
   22   HG22  ILE   2          2HG2      ILE   2  -3.906  12.440  -0.299
   23   HG23  ILE   2          3HG2      ILE   2  -3.256  11.039   0.551
   24   HD11  ILE   2          3HD1      ILE   2  -0.742  15.241  -0.391
   25   HD12  ILE   2          1HD1      ILE   2  -2.421  15.700  -0.106
   26   HD13  ILE   2          2HD1      ILE   2  -2.023  14.566  -1.397
   27    H    CYS   3           H        CYS   3  -0.939   9.119   1.455
   28    HA   CYS   3           HA       CYS   3   0.139   8.170  -1.128
   29    HB2  CYS   3           2HB      CYS   3  -0.067   6.794   1.552
   30    HB3  CYS   3           1HB      CYS   3   0.470   5.981   0.087
   31    H    TYR   4           H        TYR   4  -0.786   5.675  -1.442
   32    HA   TYR   4           HA       TYR   4  -3.668   6.178  -1.923
   33    HB2  TYR   4           2HB      TYR   4  -1.686   5.150  -3.522
   34    HB3  TYR   4           1HB      TYR   4  -2.485   3.686  -2.956
   35    HD1  TYR   4           1HD      TYR   4  -3.035   6.967  -4.610
   36    HD2  TYR   4           2HD      TYR   4  -4.632   3.086  -3.749
   37    HE1  TYR   4           1HE      TYR   4  -4.854   7.358  -6.241
   38    HE2  TYR   4           2HE      TYR   4  -6.456   3.470  -5.373
   39    HH   TYR   4           HH       TYR   4  -6.597   5.169  -7.616
   40    H    ASN   5           H        ASN   5  -5.267   4.884  -1.064
   41    HA   ASN   5           HA       ASN   5  -4.400   2.850   0.939
   42    HB2  ASN   5           2HB      ASN   5  -5.438   4.653   2.094
   43    HB3  ASN   5           1HB      ASN   5  -6.739   4.761   0.910
   44   HD21  ASN   5          1HD2      ASN   5  -5.426   1.790   2.438
   45   HD22  ASN   5          2HD2      ASN   5  -6.889   1.342   3.169
   46    H    HIS   6           H        HIS   6  -5.529   2.861  -2.119
   47    HA   HIS   6           HA       HIS   6  -7.929   1.407  -2.130
   48    HB2  HIS   6           2HB      HIS   6  -7.296   1.837  -4.270
   49    HB3  HIS   6           1HB      HIS   6  -5.602   1.564  -3.958
   50    HD1  HIS   6           1HD      HIS   6  -8.209   0.182  -5.859
   51    HD2  HIS   6           2HD      HIS   6  -5.343  -1.541  -3.374
   52    HE1  HIS   6           1HE      HIS   6  -8.047  -2.249  -6.532
   53    H    LEU   7           H        LEU   7  -8.496  -0.544  -1.471
   54    HA   LEU   7           HA       LEU   7  -6.354  -2.363  -0.451
   55    HB2  LEU   7           2HB      LEU   7  -9.275  -2.102   0.305
   56    HB3  LEU   7           1HB      LEU   7  -8.213  -3.375   0.910
   57    HG   LEU   7           HG       LEU   7  -6.884  -0.850   1.207
   58   HD11  LEU   7          1HD1      LEU   7  -9.038  -0.580   3.081
   59   HD12  LEU   7          2HD1      LEU   7  -9.711  -0.637   1.452
   60   HD13  LEU   7          3HD1      LEU   7  -8.496   0.573   1.861
   61   HD21  LEU   7          3HD2      LEU   7  -6.181  -2.365   2.768
   62   HD22  LEU   7          1HD2      LEU   7  -7.744  -3.182   2.822
   63   HD23  LEU   7          2HD2      LEU   7  -7.498  -1.688   3.727
   64    H    GLY   8           H        GLY   8  -5.963  -4.135  -1.658
   65    HA2  GLY   8           2HA      GLY   8  -6.285  -5.561  -3.580
   66    HA3  GLY   8           1HA      GLY   8  -7.407  -6.227  -2.405
   67    H    THR   9           H        THR   9  -9.404  -6.542  -3.193
   68    HA   THR   9           HA       THR   9 -10.258  -5.141  -5.644
   69    HB   THR   9           HB       THR   9 -10.633  -7.587  -5.379
   70    HG1  THR   9           1HG      THR   9 -13.117  -6.250  -5.330
   71   HG21  THR   9          3HG2      THR   9 -12.589  -8.176  -3.809
   72   HG22  THR   9          1HG2      THR   9 -12.275  -6.622  -3.039
   73   HG23  THR   9          2HG2      THR   9 -11.023  -7.863  -3.060
   74    H    LYS  10           H        LYS  10 -10.199  -4.151  -2.607
   75    HA   LYS  10           HA       LYS  10 -12.965  -3.370  -2.127
   76    HB2  LYS  10           2HB      LYS  10 -10.464  -3.292  -0.729
   77    HB3  LYS  10           1HB      LYS  10 -11.126  -1.660  -0.750
   78    HG2  LYS  10           2HG      LYS  10 -13.333  -2.672   0.011
   79    HG3  LYS  10           1HG      LYS  10 -12.458  -4.182   0.265
   80    HD2  LYS  10           2HD      LYS  10 -11.360  -1.666   1.466
   81    HD3  LYS  10           1HD      LYS  10 -12.734  -2.451   2.247
   82    HE2  LYS  10           2HE      LYS  10 -10.628  -4.336   1.461
   83    HE3  LYS  10           1HE      LYS  10 -10.080  -3.134   2.629
   84    HZ1  LYS  10           3HZ      LYS  10 -11.728  -3.756   4.145
   85    HZ2  LYS  10           1HZ      LYS  10 -11.130  -5.227   3.548
   86    HZ3  LYS  10           2HZ      LYS  10 -12.612  -4.623   2.981
   87    HA   PRO  11           HA       PRO  11 -13.043   0.447  -4.299
   88    HB2  PRO  11           2HB      PRO  11 -13.670   2.388  -2.442
   89    HB3  PRO  11           1HB      PRO  11 -14.839   1.223  -3.087
   90    HG2  PRO  11           2HG      PRO  11 -13.500   1.261  -0.418
   91    HG3  PRO  11           1HG      PRO  11 -15.079   0.599  -0.872
   92    HD2  PRO  11           2HD      PRO  11 -12.755  -0.909  -0.455
   93    HD3  PRO  11           1HD      PRO  11 -14.198  -1.479  -1.316
   94    HA   PRO  12           HA       PRO  12  -8.940   1.999  -3.836
   95    HB2  PRO  12           2HB      PRO  12  -8.964   3.664  -6.027
   96    HB3  PRO  12           1HB      PRO  12  -8.760   1.909  -6.127
   97    HG2  PRO  12           2HG      PRO  12 -11.163   3.558  -6.753
   98    HG3  PRO  12           1HG      PRO  12 -10.674   1.993  -7.423
   99    HD2  PRO  12           2HD      PRO  12 -12.658   2.383  -5.458
  100    HD3  PRO  12           1HD      PRO  12 -11.882   0.834  -5.850
  101    H    THR  13           H        THR  13  -8.414   3.473  -2.302
  102    HA   THR  13           HA       THR  13  -9.374   6.262  -2.669
  103    HB   THR  13           HB       THR  13 -10.971   5.787  -1.081
  104    HG1  THR  13           1HG      THR  13  -9.944   7.250   0.070
  105   HG21  THR  13          3HG2      THR  13  -9.095   3.852   0.297
  106   HG22  THR  13          1HG2      THR  13 -10.239   3.370  -0.957
  107   HG23  THR  13          2HG2      THR  13 -10.828   4.033   0.566
  108    H    THR  14           H        THR  14  -7.966   7.812  -1.683
  109    HA   THR  14           HA       THR  14  -5.263   6.721  -1.135
  110    HB   THR  14           HB       THR  14  -4.775   9.316  -1.084
  111    HG1  THR  14           1HG      THR  14  -6.665  10.265  -1.282
  112   HG21  THR  14          3HG2      THR  14  -3.898   7.821  -2.778
  113   HG22  THR  14          1HG2      THR  14  -4.552   9.252  -3.572
  114   HG23  THR  14          2HG2      THR  14  -5.467   7.744  -3.578
  115    H    GLU  15           H        GLU  15  -4.056   7.612   0.736
  116    HA   GLU  15           HA       GLU  15  -5.825   8.549   2.946
  117    HB2  GLU  15           2HB      GLU  15  -4.680   6.970   4.490
  118    HB3  GLU  15           1HB      GLU  15  -5.584   6.127   3.232
  119    HG2  GLU  15           2HG      GLU  15  -3.697   5.084   2.588
  120    HG3  GLU  15           1HG      GLU  15  -2.973   6.647   2.210
  121    H    THR  16           H        THR  16  -4.944  10.386   3.758
  122    HA   THR  16           HA       THR  16  -2.290  11.239   3.046
  123    HB   THR  16           HB       THR  16  -3.098  12.681   5.340
  124    HG1  THR  16           1HG      THR  16  -5.173  12.529   5.359
  125   HG21  THR  16          3HG2      THR  16  -3.071  14.469   3.880
  126   HG22  THR  16          1HG2      THR  16  -3.896  13.573   2.605
  127   HG23  THR  16          2HG2      THR  16  -2.183  13.290   2.915
  128    H    CYS  17           H        CYS  17  -0.378  11.014   4.149
  129    HA   CYS  17           HA       CYS  17  -0.474   9.846   6.886
  130    HB2  CYS  17           2HB      CYS  17  -0.074   8.245   4.746
  131    HB3  CYS  17           1HB      CYS  17   1.583   8.757   5.055
  132    H    GLN  18           H        GLN  18   2.092   9.561   7.484
  133    HA   GLN  18           HA       GLN  18   3.174  12.314   7.263
  134    HB2  GLN  18           2HB      GLN  18   3.031  11.245   9.497
  135    HB3  GLN  18           1HB      GLN  18   4.114   9.973   8.941
  136    HG2  GLN  18           2HG      GLN  18   5.336  11.771  10.160
  137    HG3  GLN  18           1HG      GLN  18   5.871  11.601   8.492
  138   HE21  GLN  18          1HE2      GLN  18   5.159  13.255   6.928
  139   HE22  GLN  18          2HE2      GLN  18   4.599  14.767   7.460
  140    H    GLU  19           H        GLU  19   4.166   8.949   6.757
  141    HA   GLU  19           HA       GLU  19   6.782   9.624   5.769
  142    HB2  GLU  19           2HB      GLU  19   5.651   7.193   4.572
  143    HB3  GLU  19           1HB      GLU  19   7.105   7.383   5.542
  144    HG2  GLU  19           2HG      GLU  19   5.448   7.682   7.540
  145    HG3  GLU  19           1HG      GLU  19   4.280   6.912   6.465
  146    H    ASP  20           H        ASP  20   7.337  10.431   3.824
  147    HA   ASP  20           HA       ASP  20   5.268  11.142   1.920
  148    HB2  ASP  20           2HB      ASP  20   7.787  11.311   0.606
  149    HB3  ASP  20           1HB      ASP  20   6.814  12.630   1.245
  150    H    SER  21           H        SER  21   7.118   8.352   2.471
  151    HA   SER  21           HA       SER  21   7.022   7.416  -0.297
  152    HB2  SER  21           2HB      SER  21   7.652   5.869   2.230
  153    HB3  SER  21           1HB      SER  21   7.991   5.355   0.580
  154    HG   SER  21           HG       SER  21   9.312   7.271   0.418
  155    H    CYS  22           H        CYS  22   5.786   5.319  -0.777
  156    HA   CYS  22           HA       CYS  22   3.413   4.986   0.983
  157    HB2  CYS  22           2HB      CYS  22   3.195   5.114  -2.030
  158    HB3  CYS  22           1HB      CYS  22   1.885   5.095  -0.854
  159    H    TYR  23           H        TYR  23   3.079   2.840   1.349
  160    HA   TYR  23           HA       TYR  23   4.557   0.992  -0.444
  161    HB2  TYR  23           2HB      TYR  23   5.034  -0.440   1.334
  162    HB3  TYR  23           1HB      TYR  23   5.265   1.158   2.008
  163    HD1  TYR  23           1HD      TYR  23   2.757   2.143   2.874
  164    HD2  TYR  23           2HD      TYR  23   4.086  -1.930   2.811
  165    HE1  TYR  23           1HE      TYR  23   1.178   1.611   4.697
  166    HE2  TYR  23           2HE      TYR  23   2.480  -2.469   4.627
  167    HH   TYR  23           HH       TYR  23   0.429  -1.605   5.588
  168    H    LYS  24           H        LYS  24   3.541  -0.403  -1.550
  169    HA   LYS  24           HA       LYS  24   0.771  -1.169  -0.731
  170    HB2  LYS  24           2HB      LYS  24   0.372   0.133  -2.625
  171    HB3  LYS  24           1HB      LYS  24   1.832  -0.409  -3.435
  172    HG2  LYS  24           2HG      LYS  24   0.863  -2.633  -3.746
  173    HG3  LYS  24           1HG      LYS  24  -0.580  -2.140  -2.855
  174    HD2  LYS  24           2HD      LYS  24  -1.025  -1.970  -5.243
  175    HD3  LYS  24           1HD      LYS  24  -0.969  -0.353  -4.545
  176    HE2  LYS  24           2HE      LYS  24   0.857   0.227  -5.744
  177    HE3  LYS  24           1HE      LYS  24   1.650  -1.318  -5.440
  178    HZ1  LYS  24           3HZ      LYS  24  -0.542  -1.775  -7.111
  179    HZ2  LYS  24           1HZ      LYS  24   1.105  -1.956  -7.471
  180    HZ3  LYS  24           2HZ      LYS  24   0.333  -0.470  -7.759
  181    H    ASN  25           H        ASN  25   0.935  -3.172  -0.022
  182    HA   ASN  25           HA       ASN  25   2.842  -5.052  -1.340
  183    HB2  ASN  25           2HB      ASN  25   2.267  -6.189   1.068
  184    HB3  ASN  25           1HB      ASN  25   3.626  -5.115   0.812
  185   HD21  ASN  25          1HD2      ASN  25   2.727  -2.580   0.923
  186   HD22  ASN  25          2HD2      ASN  25   1.738  -2.282   2.262
  187    H    ILE  26           H        ILE  26   2.136  -7.453  -0.946
  188    HA   ILE  26           HA       ILE  26  -0.713  -7.949  -0.865
  189    HB   ILE  26           HB       ILE  26  -1.134  -8.507  -3.092
  190   HG12  ILE  26          2HG1      ILE  26   0.882  -8.705  -4.743
  191   HG13  ILE  26          1HG1      ILE  26   1.843  -8.926  -3.281
  192   HG21  ILE  26          1HG2      ILE  26   0.955  -6.320  -3.245
  193   HG22  ILE  26          2HG2      ILE  26  -0.778  -6.104  -2.999
  194   HG23  ILE  26          3HG2      ILE  26  -0.178  -6.722  -4.533
  195   HD11  ILE  26          3HD1      ILE  26  -0.355 -10.579  -2.874
  196   HD12  ILE  26          1HD1      ILE  26   1.254 -11.100  -3.372
  197   HD13  ILE  26          2HD1      ILE  26   0.014 -10.789  -4.587
  198    H    TRP  27           H        TRP  27  -0.760  -9.774   0.290
  199    HA   TRP  27           HA       TRP  27   0.990 -12.036  -0.481
  200    HB2  TRP  27           2HB      TRP  27   0.702 -11.534   2.457
  201    HB3  TRP  27           1HB      TRP  27   1.979 -12.374   1.584
  202    HD1  TRP  27           HD       TRP  27   3.240 -10.514  -0.278
  203    HE1  TRP  27           1HE      TRP  27   4.234  -8.239   0.372
  204    HE3  TRP  27           3HE      TRP  27   0.783  -9.732   4.122
  205    HZ2  TRP  27           2HZ      TRP  27   4.023  -6.337   2.515
  206    HZ3  TRP  27           3HZ      TRP  27   1.206  -7.688   5.457
  207    HH2  TRP  27           HH       TRP  27   2.827  -5.990   4.660
  208    H    THR  28           H        THR  28  -1.473 -11.133   1.981
  209    HA   THR  28           HA       THR  28  -2.568 -13.831   1.984
  210    HB   THR  28           HB       THR  28  -3.890 -11.348   3.091
  211    HG1  THR  28           1HG      THR  28  -2.709 -11.949   5.019
  212   HG21  THR  28          3HG2      THR  28  -4.526 -13.168   4.838
  213   HG22  THR  28          1HG2      THR  28  -4.053 -14.313   3.583
  214   HG23  THR  28          2HG2      THR  28  -5.361 -13.168   3.285
  215    H    PHE  29           H        PHE  29  -5.026 -14.079   1.643
  216    HA   PHE  29           HA       PHE  29  -5.638 -13.132  -1.069
  217    HB2  PHE  29           2HB      PHE  29  -7.376 -14.816   0.753
  218    HB3  PHE  29           1HB      PHE  29  -7.467 -14.693  -1.005
  219    HD1  PHE  29           1HD      PHE  29  -5.021 -15.100  -2.165
  220    HD2  PHE  29           2HD      PHE  29  -6.364 -16.745   1.568
  221    HE1  PHE  29           1HE      PHE  29  -3.369 -16.937  -2.381
  222    HE2  PHE  29           2HE      PHE  29  -4.712 -18.583   1.352
  223    HZ   PHE  29           HZ       PHE  29  -3.215 -18.679  -0.623
  224    H    ASP  30           H        ASP  30  -7.610 -13.190   1.941
  225    HA   ASP  30           HA       ASP  30  -9.543 -11.328   1.203
  226    HB2  ASP  30           2HB      ASP  30  -9.262 -10.561   3.751
  227    HB3  ASP  30           1HB      ASP  30  -9.948 -12.133   3.339
  228    H    ASN  31           H        ASN  31  -6.931 -10.208   3.359
  229    HA   ASN  31           HA       ASN  31  -7.025  -7.548   2.157
  230    HB2  ASN  31           2HB      ASN  31  -4.789  -8.562   3.917
  231    HB3  ASN  31           1HB      ASN  31  -5.442  -6.928   3.802
  232   HD21  ASN  31          1HD2      ASN  31  -5.203  -8.618   6.260
  233   HD22  ASN  31          2HD2      ASN  31  -6.782  -8.776   6.864
  234    H    ILE  32           H        ILE  32  -6.650  -8.719  -0.031
  235    HA   ILE  32           HA       ILE  32  -4.075  -9.802  -0.633
  236    HB   ILE  32           HB       ILE  32  -5.804 -10.379  -2.117
  237   HG12  ILE  32          2HG1      ILE  32  -5.081  -9.481  -4.312
  238   HG13  ILE  32          1HG1      ILE  32  -4.154  -8.240  -3.478
  239   HG21  ILE  32          1HG2      ILE  32  -6.606  -7.942  -3.341
  240   HG22  ILE  32          2HG2      ILE  32  -6.710  -7.725  -1.594
  241   HG23  ILE  32          3HG2      ILE  32  -7.581  -9.047  -2.371
  242   HD11  ILE  32          3HD1      ILE  32  -3.685 -11.210  -3.526
  243   HD12  ILE  32          1HD1      ILE  32  -3.034 -10.216  -2.224
  244   HD13  ILE  32          2HD1      ILE  32  -2.551  -9.910  -3.892
  245    H    ILE  33           H        ILE  33  -5.144  -6.819  -2.315
  246    HA   ILE  33           HA       ILE  33  -2.366  -5.850  -2.047
  247    HB   ILE  33           HB       ILE  33  -4.480  -4.237  -3.414
  248   HG12  ILE  33          2HG1      ILE  33  -4.823  -6.640  -4.083
  249   HG13  ILE  33          1HG1      ILE  33  -4.375  -5.577  -5.413
  250   HG21  ILE  33          1HG2      ILE  33  -2.188  -4.521  -4.988
  251   HG22  ILE  33          2HG2      ILE  33  -1.582  -4.465  -3.332
  252   HG23  ILE  33          3HG2      ILE  33  -2.583  -3.152  -3.951
  253   HD11  ILE  33          3HD1      ILE  33  -3.038  -7.604  -5.559
  254   HD12  ILE  33          1HD1      ILE  33  -2.521  -7.421  -3.883
  255   HD13  ILE  33          2HD1      ILE  33  -1.991  -6.261  -5.100
  256    H    ARG  34           H        ARG  34  -1.815  -3.980  -0.949
  257    HA   ARG  34           HA       ARG  34  -3.991  -2.405   0.272
  258    HB2  ARG  34           2HB      ARG  34  -3.372  -4.221   1.901
  259    HB3  ARG  34           1HB      ARG  34  -1.770  -3.482   1.998
  260    HG2  ARG  34           2HG      ARG  34  -2.730  -1.378   2.724
  261    HG3  ARG  34           1HG      ARG  34  -4.359  -2.002   2.507
  262    HD2  ARG  34           2HD      ARG  34  -4.316  -2.758   4.615
  263    HD3  ARG  34           1HD      ARG  34  -3.011  -3.854   4.160
  264    HE   ARG  34           HE       ARG  34  -1.911  -1.261   4.642
  265   HH11  ARG  34          1HH2      ARG  34  -3.061  -4.153   6.101
  266   HH12  ARG  34          2HH2      ARG  34  -2.411  -3.786   7.664
  267   HH21  ARG  34          1HH1      ARG  34  -1.204  -0.675   6.724
  268   HH22  ARG  34          2HH1      ARG  34  -1.358  -1.818   8.015
  269    H    ARG  35           H        ARG  35  -3.489  -0.457  -0.424
  270    HA   ARG  35           HA       ARG  35  -0.690   0.402  -0.729
  271    HB2  ARG  35           2HB      ARG  35  -3.324   1.725  -1.390
  272    HB3  ARG  35           1HB      ARG  35  -1.757   2.496  -1.635
  273    HG2  ARG  35           2HG      ARG  35  -1.398   1.334  -3.519
  274    HG3  ARG  35           1HG      ARG  35  -1.762  -0.190  -2.718
  275    HD2  ARG  35           2HD      ARG  35  -4.259   0.697  -2.915
  276    HD3  ARG  35           1HD      ARG  35  -3.578   1.629  -4.249
  277    HE   ARG  35           HE       ARG  35  -3.382  -1.355  -4.108
  278   HH11  ARG  35          1HH2      ARG  35  -4.818   1.295  -5.629
  279   HH12  ARG  35          2HH2      ARG  35  -4.545   0.730  -7.243
  280   HH21  ARG  35          1HH1      ARG  35  -2.592  -1.958  -6.256
  281   HH22  ARG  35          2HH1      ARG  35  -3.286  -1.112  -7.598
  282    H    GLY  36           H        GLY  36   0.341   1.439   0.896
  283    HA2  GLY  36           2HA      GLY  36  -1.325   2.965   2.847
  284    HA3  GLY  36           1HA      GLY  36  -0.067   1.874   3.400
  285    H    CYS  37           H        CYS  37   1.008   3.665   4.402
  286    HA   CYS  37           HA       CYS  37   2.401   5.467   2.460
  287    HB2  CYS  37           2HB      CYS  37   2.446   7.157   4.253
  288    HB3  CYS  37           1HB      CYS  37   0.786   6.685   3.881
  289    H    GLY  38           H        GLY  38   4.582   5.051   2.424
  290    HA2  GLY  38           2HA      GLY  38   6.738   4.717   3.355
  291    HA3  GLY  38           1HA      GLY  38   5.995   4.565   4.948
  292    H    CYS  39           H        CYS  39   7.955   2.777   3.610
  293    HA   CYS  39           HA       CYS  39   6.642   0.403   2.693
  294    HB2  CYS  39           2HB      CYS  39   9.292   0.627   4.101
  295    HB3  CYS  39           1HB      CYS  39   8.743  -0.753   3.166
  296    H    PHE  40           H        PHE  40   6.230  -1.545   3.810
  297    HA   PHE  40           HA       PHE  40   4.995  -1.185   6.371
  298    HB2  PHE  40           2HB      PHE  40   5.046  -3.775   6.353
  299    HB3  PHE  40           1HB      PHE  40   4.141  -2.958   5.091
  300    HD1  PHE  40           2HD      PHE  40   7.752  -2.695   4.866
  301    HD2  PHE  40           1HD      PHE  40   4.362  -5.072   3.754
  302    HE1  PHE  40           2HE      PHE  40   9.134  -3.845   3.182
  303    HE2  PHE  40           1HE      PHE  40   5.757  -6.234   2.058
  304    HZ   PHE  40           HZ       PHE  40   8.139  -5.626   1.776
  305    H    THR  41           H        THR  41   5.687  -2.810   8.260
  306    HA   THR  41           HA       THR  41   8.353  -1.927   9.022
  307    HB   THR  41           HB       THR  41   6.718  -3.860  10.627
  308    HG1  THR  41           1HG      THR  41   6.218  -1.178  10.002
  309   HG21  THR  41          3HG2      THR  41   8.224  -3.336  12.202
  310   HG22  THR  41          1HG2      THR  41   7.886  -1.616  12.000
  311   HG23  THR  41          2HG2      THR  41   9.104  -2.400  10.994
  312    HA   PRO  42           HA       PRO  42   9.350  -6.557   8.989
  313    HB2  PRO  42           2HB      PRO  42   7.515  -8.282   7.888
  314    HB3  PRO  42           1HB      PRO  42   7.522  -7.811   9.596
  315    HG2  PRO  42           2HG      PRO  42   5.641  -7.003   7.453
  316    HG3  PRO  42           1HG      PRO  42   5.423  -6.953   9.210
  317    HD2  PRO  42           2HD      PRO  42   6.082  -4.772   7.464
  318    HD3  PRO  42           1HD      PRO  42   5.931  -4.714   9.232
  319    H    ARG  43           H        ARG  43   9.857  -4.736   6.894
  320    HA   ARG  43           HA       ARG  43   9.387  -5.742   4.275
  321    HB2  ARG  43           2HB      ARG  43  11.370  -4.418   3.607
  322    HB3  ARG  43           1HB      ARG  43  10.307  -3.501   4.667
  323    HG2  ARG  43           2HG      ARG  43  11.832  -4.522   6.570
  324    HG3  ARG  43           1HG      ARG  43  12.992  -4.686   5.253
  325    HD2  ARG  43           2HD      ARG  43  12.140  -2.149   4.813
  326    HD3  ARG  43           1HD      ARG  43  11.957  -2.235   6.564
  327    HE   ARG  43           HE       ARG  43  14.518  -2.522   5.085
  328   HH11  ARG  43          1HH2      ARG  43  14.054  -4.179   7.678
  329   HH12  ARG  43          2HH2      ARG  43  14.839  -3.155   8.833
  330   HH21  ARG  43          1HH1      ARG  43  14.962  -0.412   6.717
  331   HH22  ARG  43          2HH1      ARG  43  15.353  -1.024   8.289
  332    H    GLY  44           H        GLY  44  11.428  -6.455   2.890
  333    HA2  GLY  44           2HA      GLY  44  13.591  -7.855   3.656
  334    HA3  GLY  44           1HA      GLY  44  12.300  -8.969   4.093
  335    H    ASP  45           H        ASP  45  13.365 -10.375   2.414
  336    HA   ASP  45           HA       ASP  45  12.909  -9.513  -0.383
  337    HB2  ASP  45           2HB      ASP  45  14.377 -11.786   0.931
  338    HB3  ASP  45           1HB      ASP  45  13.923 -11.903  -0.769
  339    H    MET  46           H        MET  46  11.155 -11.020   2.040
  340    HA   MET  46           HA       MET  46   9.847 -13.066   0.453
  341    HB2  MET  46           2HB      MET  46   9.950 -12.462   3.151
  342    HB3  MET  46           1HB      MET  46   8.298 -12.030   2.710
  343    HG2  MET  46           2HG      MET  46   9.626 -14.685   2.088
  344    HG3  MET  46           1HG      MET  46   8.474 -14.410   3.396
  345    HE1  MET  46           3HE      MET  46   5.197 -13.561   1.752
  346    HE2  MET  46           1HE      MET  46   6.400 -12.864   2.845
  347    HE3  MET  46           2HE      MET  46   5.856 -14.524   3.073
  348    HA   PRO  47           HA       PRO  47   6.404  -9.789   0.087
  349    HB2  PRO  47           2HB      PRO  47   6.917  -7.292   1.092
  350    HB3  PRO  47           1HB      PRO  47   6.202  -8.602   2.047
  351    HG2  PRO  47           2HG      PRO  47   8.953  -7.483   2.172
  352    HG3  PRO  47           1HG      PRO  47   8.044  -8.362   3.411
  353    HD2  PRO  47           2HD      PRO  47  10.088  -9.415   1.728
  354    HD3  PRO  47           1HD      PRO  47   9.047 -10.338   2.827
  355    H    GLY  48           H        GLY  48   5.992  -8.121  -1.501
  356    HA2  GLY  48           2HA      GLY  48   8.294  -6.782  -2.733
  357    HA3  GLY  48           1HA      GLY  48   7.404  -7.909  -3.758
  358    HA   PRO  49           HA       PRO  49   4.208  -4.556  -2.499
  359    HB2  PRO  49           2HB      PRO  49   5.142  -2.494  -0.940
  360    HB3  PRO  49           1HB      PRO  49   4.423  -3.965  -0.280
  361    HG2  PRO  49           2HG      PRO  49   7.297  -3.177  -0.413
  362    HG3  PRO  49           1HG      PRO  49   6.456  -4.178   0.773
  363    HD2  PRO  49           2HD      PRO  49   8.067  -5.189  -1.278
  364    HD3  PRO  49           1HD      PRO  49   6.831  -6.120  -0.409
  365    H    TYR  50           H        TYR  50   4.266  -1.863  -2.525
  366    HA   TYR  50           HA       TYR  50   6.136  -1.138  -4.732
  367    HB2  TYR  50           2HB      TYR  50   3.466  -1.443  -5.102
  368    HB3  TYR  50           1HB      TYR  50   3.509   0.243  -4.589
  369    HD1  TYR  50           2HD      TYR  50   4.643  -2.176  -7.137
  370    HD2  TYR  50           1HD      TYR  50   4.601   1.947  -5.932
  371    HE1  TYR  50           2HE      TYR  50   5.446  -1.512  -9.387
  372    HE2  TYR  50           1HE      TYR  50   5.405   2.612  -8.182
  373    HH   TYR  50           HH       TYR  50   5.262   1.535 -10.577
  374    H    CYS  51           H        CYS  51   7.442  -0.353  -2.885
  375    HA   CYS  51           HA       CYS  51   6.438   1.823  -1.208
  376    HB2  CYS  51           2HB      CYS  51   9.134   0.583  -1.735
  377    HB3  CYS  51           1HB      CYS  51   9.007   2.116  -0.871
  378    H    CYS  52           H        CYS  52   5.989   3.762  -2.231
  379    HA   CYS  52           HA       CYS  52   7.984   4.703  -4.254
  380    HB2  CYS  52           2HB      CYS  52   5.878   4.120  -5.364
  381    HB3  CYS  52           1HB      CYS  52   4.996   5.193  -4.287
  382    H    GLU  53           H        GLU  53   8.170   7.016  -4.384
  383    HA   GLU  53           HA       GLU  53   7.500   8.335  -1.788
  384    HB2  GLU  53           2HB      GLU  53   9.701   9.291  -3.600
  385    HB3  GLU  53           1HB      GLU  53   9.524   9.497  -1.855
  386    HG2  GLU  53           2HG      GLU  53   9.931   7.111  -1.499
  387    HG3  GLU  53           1HG      GLU  53  10.050   6.854  -3.240
  388    H    SER  54           H        SER  54   5.420   8.602  -3.138
  389    HA   SER  54           HA       SER  54   5.374  11.361  -4.089
  390    HB2  SER  54           2HB      SER  54   4.047   9.719  -6.097
  391    HB3  SER  54           1HB      SER  54   5.217  11.015  -6.317
  392    HG   SER  54           HG       SER  54   6.824   9.593  -6.272
  393    H    ASP  55           H        ASP  55   3.191  12.163  -4.053
  394    HA   ASP  55           HA       ASP  55   1.498  10.735  -2.219
  395    HB2  ASP  55           2HB      ASP  55   0.286  12.837  -3.939
  396    HB3  ASP  55           1HB      ASP  55   0.168  12.604  -2.199
  397    H    LYS  56           H        LYS  56  -0.282   9.452  -2.630
  398    HA   LYS  56           HA       LYS  56  -1.583   7.943  -3.896
  399    HB2  LYS  56           2HB      LYS  56  -2.756   9.957  -4.564
  400    HB3  LYS  56           1HB      LYS  56  -1.489  10.367  -5.719
  401    HG2  LYS  56           2HG      LYS  56  -2.488   7.698  -6.228
  402    HG3  LYS  56           1HG      LYS  56  -3.812   8.865  -6.221
  403    HD2  LYS  56           2HD      LYS  56  -1.358   9.731  -7.635
  404    HD3  LYS  56           1HD      LYS  56  -2.242   8.405  -8.391
  405    HE2  LYS  56           2HE      LYS  56  -3.534  10.999  -7.502
  406    HE3  LYS  56           1HE      LYS  56  -2.989  10.689  -9.150
  407    HZ1  LYS  56           3HZ      LYS  56  -4.420   8.541  -8.830
  408    HZ2  LYS  56           1HZ      LYS  56  -5.145  10.005  -9.285
  409    HZ3  LYS  56           2HZ      LYS  56  -5.215   9.490  -7.667
  410    H    CYS  57           H        CYS  57   1.221   7.560  -4.035
  411    HA   CYS  57           HA       CYS  57   1.813   7.121  -6.905
  412    HB2  CYS  57           2HB      CYS  57   3.441   8.193  -5.233
  413    HB3  CYS  57           1HB      CYS  57   3.670   6.563  -4.600
  414    H    ASN  58           H        ASN  58   0.729   5.188  -4.200
  415    HA   ASN  58           HA       ASN  58   1.914   2.796  -5.413
  416    HB2  ASN  58           2HB      ASN  58   0.417   1.725  -3.464
  417    HB3  ASN  58           1HB      ASN  58   2.035   2.342  -3.185
  418   HD21  ASN  58          1HD2      ASN  58   0.635   2.333  -0.911
  419   HD22  ASN  58          2HD2      ASN  58  -0.030   3.857  -0.533
  420    H    LEU  59           H        LEU  59  -0.199   4.382  -6.790
  421    HA   LEU  59           HA       LEU  59  -2.670   2.919  -6.723
  422    HB2  LEU  59           2HB      LEU  59  -1.734   5.187  -8.022
  423    HB3  LEU  59           1HB      LEU  59  -1.966   4.036  -9.338
  424    HG   LEU  59           HG       LEU  59  -4.014   4.882  -7.280
  425   HD11  LEU  59          1HD1      LEU  59  -5.136   5.256  -9.720
  426   HD12  LEU  59          2HD1      LEU  59  -3.440   5.533 -10.116
  427   HD13  LEU  59          3HD1      LEU  59  -4.227   6.507  -8.874
  428   HD21  LEU  59          3HD2      LEU  59  -4.595   3.032  -9.575
  429   HD22  LEU  59          1HD2      LEU  59  -5.463   3.220  -8.052
  430   HD23  LEU  59          2HD2      LEU  59  -3.920   2.368  -8.087
  Start of MODEL   10
    1    H1   ARG   1           1HT      ARG   1   2.239  13.396   3.901
    2    H2   ARG   1           2HT      ARG   1   1.510  14.741   3.162
    3    H3   ARG   1           3HT      ARG   1   3.199  14.561   3.127
    4    HA   ARG   1           HA       ARG   1   2.136  13.991   0.998
    5    HB2  ARG   1           2HB      ARG   1   3.967  12.384   2.590
    6    HB3  ARG   1           1HB      ARG   1   3.093  11.396   1.423
    7    HG2  ARG   1           2HG      ARG   1   4.224  14.009   0.503
    8    HG3  ARG   1           1HG      ARG   1   5.330  12.655   0.737
    9    HD2  ARG   1           2HD      ARG   1   2.806  12.461  -0.926
   10    HD3  ARG   1           1HD      ARG   1   4.380  12.857  -1.603
   11    HE   ARG   1           HE       ARG   1   5.083  10.622  -1.249
   12   HH11  ARG   1          1HH1      ARG   1   1.780  11.133  -0.390
   13   HH12  ARG   1          2HH1      ARG   1   1.553   9.524   0.195
   14   HH21  ARG   1          1HH2      ARG   1   4.849   8.592  -0.242
   15   HH22  ARG   1          2HH2      ARG   1   3.274   8.096   0.276
   16    H    ILE   2           H        ILE   2   0.586  12.655  -0.109
   17    HA   ILE   2           HA       ILE   2  -1.178  11.059   1.719
   18    HB   ILE   2           HB       ILE   2  -2.065  12.389  -0.836
   19   HG12  ILE   2          2HG1      ILE   2  -3.099  13.685   1.484
   20   HG13  ILE   2          1HG1      ILE   2  -1.347  13.565   1.657
   21   HG21  ILE   2          1HG2      ILE   2  -4.141  12.097   1.058
   22   HG22  ILE   2          2HG2      ILE   2  -3.232  10.587   1.107
   23   HG23  ILE   2          3HG2      ILE   2  -3.908  11.159  -0.417
   24   HD11  ILE   2          3HD1      ILE   2  -1.374  15.477   0.398
   25   HD12  ILE   2          1HD1      ILE   2  -2.948  15.110  -0.308
   26   HD13  ILE   2          2HD1      ILE   2  -1.496  14.328  -0.934
   27    H    CYS   3           H        CYS   3  -0.922   8.925   1.264
   28    HA   CYS   3           HA       CYS   3  -0.579   8.269  -1.609
   29    HB2  CYS   3           2HB      CYS   3   1.222   7.616   0.223
   30    HB3  CYS   3           1HB      CYS   3   0.100   6.286   0.530
   31    H    TYR   4           H        TYR   4  -1.403   5.689  -1.771
   32    HA   TYR   4           HA       TYR   4  -4.249   5.916  -0.973
   33    HB2  TYR   4           2HB      TYR   4  -2.755   4.106  -2.875
   34    HB3  TYR   4           1HB      TYR   4  -4.358   3.679  -2.317
   35    HD1  TYR   4           1HD      TYR   4  -2.535   6.668  -3.681
   36    HD2  TYR   4           2HD      TYR   4  -6.163   4.372  -3.576
   37    HE1  TYR   4           1HE      TYR   4  -3.540   8.171  -5.374
   38    HE2  TYR   4           2HE      TYR   4  -7.166   5.878  -5.267
   39    HH   TYR   4           HH       TYR   4  -6.596   8.541  -5.924
   40    H    ASN   5           H        ASN   5  -5.222   4.454   0.425
   41    HA   ASN   5           HA       ASN   5  -3.385   2.615   1.884
   42    HB2  ASN   5           2HB      ASN   5  -4.082   4.037   3.559
   43    HB3  ASN   5           1HB      ASN   5  -5.602   4.410   2.752
   44   HD21  ASN   5          1HD2      ASN   5  -4.241   1.199   3.628
   45   HD22  ASN   5          2HD2      ASN   5  -5.554   0.741   4.596
   46    H    HIS   6           H        HIS   6  -6.350   2.955   0.095
   47    HA   HIS   6           HA       HIS   6  -7.754   0.667   0.886
   48    HB2  HIS   6           2HB      HIS   6  -9.071   0.981  -1.019
   49    HB3  HIS   6           1HB      HIS   6  -8.361   2.575  -0.803
   50    HD1  HIS   6           1HD      HIS   6  -6.054   2.955  -2.254
   51    HD2  HIS   6           2HD      HIS   6  -8.596  -0.093  -3.522
   52    HE1  HIS   6           1HE      HIS   6  -5.402   2.427  -4.644
   53    H    LEU   7           H        LEU   7  -7.736  -1.494   0.291
   54    HA   LEU   7           HA       LEU   7  -5.201  -2.500  -0.815
   55    HB2  LEU   7           2HB      LEU   7  -7.577  -3.750   0.554
   56    HB3  LEU   7           1HB      LEU   7  -6.398  -4.753  -0.290
   57    HG   LEU   7           HG       LEU   7  -4.591  -3.745   1.077
   58   HD11  LEU   7          1HD1      LEU   7  -5.265  -2.400   3.071
   59   HD12  LEU   7          2HD1      LEU   7  -6.921  -2.383   2.465
   60   HD13  LEU   7          3HD1      LEU   7  -5.641  -1.585   1.553
   61   HD21  LEU   7          3HD2      LEU   7  -5.512  -5.825   1.868
   62   HD22  LEU   7          1HD2      LEU   7  -6.924  -5.007   2.541
   63   HD23  LEU   7          2HD2      LEU   7  -5.336  -4.773   3.274
   64    H    GLY   8           H        GLY   8  -5.013  -3.577  -2.763
   65    HA2  GLY   8           1HA      GLY   8  -5.575  -3.804  -5.067
   66    HA3  GLY   8           2HA      GLY   8  -6.750  -4.910  -4.360
   67    H    THR   9           H        THR   9  -8.700  -4.551  -5.284
   68    HA   THR   9           HA       THR   9  -9.492  -1.729  -5.878
   69    HB   THR   9           HB       THR   9 -11.254  -3.050  -7.338
   70    HG1  THR   9           1HG      THR   9 -10.887  -5.108  -7.092
   71   HG21  THR   9          3HG2      THR   9  -9.552  -1.557  -8.256
   72   HG22  THR   9          1HG2      THR   9  -9.622  -3.034  -9.216
   73   HG23  THR   9          2HG2      THR   9  -8.319  -2.801  -8.052
   74    H    LYS  10           H        LYS  10  -9.813  -3.646  -3.409
   75    HA   LYS  10           HA       LYS  10 -12.537  -4.234  -2.984
   76    HB2  LYS  10           2HB      LYS  10 -10.115  -4.103  -1.470
   77    HB3  LYS  10           1HB      LYS  10 -11.364  -3.306  -0.542
   78    HG2  LYS  10           2HG      LYS  10 -12.791  -5.252  -0.639
   79    HG3  LYS  10           1HG      LYS  10 -11.721  -6.028  -1.805
   80    HD2  LYS  10           2HD      LYS  10 -10.535  -6.917  -0.118
   81    HD3  LYS  10           1HD      LYS  10 -10.153  -5.296   0.462
   82    HE2  LYS  10           2HE      LYS  10 -12.870  -5.906   1.153
   83    HE3  LYS  10           1HE      LYS  10 -11.836  -7.227   1.693
   84    HZ1  LYS  10           3HZ      LYS  10 -10.370  -5.141   2.417
   85    HZ2  LYS  10           1HZ      LYS  10 -11.520  -5.861   3.434
   86    HZ3  LYS  10           2HZ      LYS  10 -11.918  -4.457   2.563
   87    HA   PRO  11           HA       PRO  11 -14.479  -0.347  -2.157
   88    HB2  PRO  11           2HB      PRO  11 -15.654  -0.544   0.306
   89    HB3  PRO  11           1HB      PRO  11 -16.212  -1.396  -1.143
   90    HG2  PRO  11           2HG      PRO  11 -14.768  -2.476   1.222
   91    HG3  PRO  11           1HG      PRO  11 -15.816  -3.316   0.068
   92    HD2  PRO  11           2HD      PRO  11 -12.973  -3.352   0.113
   93    HD3  PRO  11           1HD      PRO  11 -14.022  -4.011  -1.157
   94    HA   PRO  12           HA       PRO  12 -12.145   1.599   1.588
   95    HB2  PRO  12           2HB      PRO  12  -9.445   1.130   1.428
   96    HB3  PRO  12           1HB      PRO  12 -10.558   0.187   2.433
   97    HG2  PRO  12           2HG      PRO  12  -9.245  -0.587  -0.114
   98    HG3  PRO  12           1HG      PRO  12  -9.895  -1.615   1.167
   99    HD2  PRO  12           2HD      PRO  12 -11.103  -0.998  -1.317
  100    HD3  PRO  12           1HD      PRO  12 -11.863  -1.861   0.031
  101    H    THR  13           H        THR  13 -10.050   3.277   1.381
  102    HA   THR  13           HA       THR  13  -9.985   4.226  -1.448
  103    HB   THR  13           HB       THR  13 -11.862   5.351  -0.205
  104    HG1  THR  13           1HG      THR  13 -11.176   6.617  -1.776
  105   HG21  THR  13          3HG2      THR  13 -10.378   7.223   1.293
  106   HG22  THR  13          1HG2      THR  13  -9.741   5.639   1.732
  107   HG23  THR  13          2HG2      THR  13 -11.462   5.977   1.916
  108    H    THR  14           H        THR  14  -8.795   6.716  -0.834
  109    HA   THR  14           HA       THR  14  -6.045   5.854  -0.407
  110    HB   THR  14           HB       THR  14  -5.551   8.306  -0.718
  111    HG1  THR  14           1HG      THR  14  -7.266   9.426  -0.165
  112   HG21  THR  14          3HG2      THR  14  -5.372   7.323  -2.757
  113   HG22  THR  14          1HG2      THR  14  -6.845   8.233  -3.089
  114   HG23  THR  14          2HG2      THR  14  -6.944   6.533  -2.628
  115    H    GLU  15           H        GLU  15  -4.694   7.431   1.026
  116    HA   GLU  15           HA       GLU  15  -6.041   8.311   3.486
  117    HB2  GLU  15           2HB      GLU  15  -4.332   5.856   3.339
  118    HB3  GLU  15           1HB      GLU  15  -4.196   6.881   4.764
  119    HG2  GLU  15           2HG      GLU  15  -6.711   5.556   3.707
  120    HG3  GLU  15           1HG      GLU  15  -5.876   5.200   5.217
  121    H    THR  16           H        THR  16  -4.595   9.658   4.777
  122    HA   THR  16           HA       THR  16  -2.292  10.627   3.155
  123    HB   THR  16           HB       THR  16  -3.223  12.052   5.607
  124    HG1  THR  16           1HG      THR  16  -4.651  13.087   3.787
  125   HG21  THR  16          3HG2      THR  16  -1.558  12.552   3.335
  126   HG22  THR  16          1HG2      THR  16  -1.843  13.586   4.735
  127   HG23  THR  16          2HG2      THR  16  -2.890  13.707   3.323
  128    H    CYS  17           H        CYS  17  -0.250  10.572   3.958
  129    HA   CYS  17           HA       CYS  17   0.182   9.735   6.773
  130    HB2  CYS  17           2HB      CYS  17   1.697   8.420   4.516
  131    HB3  CYS  17           1HB      CYS  17   1.579   7.908   6.200
  132    H    GLN  18           H        GLN  18   2.514  10.099   7.393
  133    HA   GLN  18           HA       GLN  18   3.437  12.609   6.169
  134    HB2  GLN  18           2HB      GLN  18   3.501  12.282   8.617
  135    HB3  GLN  18           1HB      GLN  18   4.666  10.985   8.400
  136    HG2  GLN  18           2HG      GLN  18   5.770  13.180   8.881
  137    HG3  GLN  18           1HG      GLN  18   6.242  12.491   7.336
  138   HE21  GLN  18          1HE2      GLN  18   5.191  13.398   5.356
  139   HE22  GLN  18          2HE2      GLN  18   4.565  14.976   5.374
  140    H    GLU  19           H        GLU  19   4.329   9.265   6.271
  141    HA   GLU  19           HA       GLU  19   7.025   9.602   5.371
  142    HB2  GLU  19           2HB      GLU  19   5.799   7.192   4.266
  143    HB3  GLU  19           1HB      GLU  19   7.145   7.335   5.388
  144    HG2  GLU  19           2HG      GLU  19   4.197   7.443   6.105
  145    HG3  GLU  19           1HG      GLU  19   5.315   6.128   6.464
  146    H    ASP  20           H        ASP  20   7.739  10.255   3.446
  147    HA   ASP  20           HA       ASP  20   5.858  10.876   1.315
  148    HB2  ASP  20           2HB      ASP  20   8.382  11.018   0.147
  149    HB3  ASP  20           1HB      ASP  20   7.498  12.358   0.866
  150    H    SER  21           H        SER  21   7.166   8.020   2.310
  151    HA   SER  21           HA       SER  21   7.733   6.916  -0.327
  152    HB2  SER  21           2HB      SER  21   7.311   4.815   1.510
  153    HB3  SER  21           1HB      SER  21   8.859   5.447   0.969
  154    HG   SER  21           HG       SER  21   9.061   6.504   2.789
  155    H    CYS  22           H        CYS  22   6.434   4.846  -0.931
  156    HA   CYS  22           HA       CYS  22   3.580   4.955  -0.093
  157    HB2  CYS  22           2HB      CYS  22   4.710   5.558  -2.803
  158    HB3  CYS  22           1HB      CYS  22   3.222   4.619  -2.725
  159    H    TYR  23           H        TYR  23   3.149   2.773   0.386
  160    HA   TYR  23           HA       TYR  23   4.798   0.841  -1.151
  161    HB2  TYR  23           2HB      TYR  23   4.928  -0.648   0.674
  162    HB3  TYR  23           1HB      TYR  23   5.326   0.931   1.306
  163    HD1  TYR  23           2HD      TYR  23   2.954   2.271   2.043
  164    HD2  TYR  23           1HD      TYR  23   3.707  -1.950   2.069
  165    HE1  TYR  23           2HE      TYR  23   1.198   1.967   3.754
  166    HE2  TYR  23           1HE      TYR  23   1.956  -2.254   3.792
  167    HH   TYR  23           HH       TYR  23   0.074   0.525   5.002
  168    H    LYS  24           H        LYS  24   3.994  -0.717  -2.175
  169    HA   LYS  24           HA       LYS  24   1.041  -1.251  -1.965
  170    HB2  LYS  24           2HB      LYS  24   2.709  -0.555  -4.299
  171    HB3  LYS  24           1HB      LYS  24   1.651  -1.954  -4.533
  172    HG2  LYS  24           2HG      LYS  24  -0.046  -0.303  -3.253
  173    HG3  LYS  24           1HG      LYS  24   0.964   0.875  -4.081
  174    HD2  LYS  24           2HD      LYS  24  -0.498  -1.443  -5.367
  175    HD3  LYS  24           1HD      LYS  24  -0.904   0.266  -5.536
  176    HE2  LYS  24           2HE      LYS  24   0.363  -0.034  -7.450
  177    HE3  LYS  24           1HE      LYS  24   1.626   0.440  -6.316
  178    HZ1  LYS  24           3HZ      LYS  24   1.752  -1.760  -7.781
  179    HZ2  LYS  24           1HZ      LYS  24   0.971  -2.392  -6.415
  180    HZ3  LYS  24           2HZ      LYS  24   2.479  -1.629  -6.252
  181    H    ASN  25           H        ASN  25   1.056  -3.178  -0.916
  182    HA   ASN  25           HA       ASN  25   2.927  -5.292  -1.904
  183    HB2  ASN  25           2HB      ASN  25   2.237  -6.228   0.527
  184    HB3  ASN  25           1HB      ASN  25   3.567  -5.100   0.304
  185   HD21  ASN  25          1HD2      ASN  25   2.710  -2.661   0.239
  186   HD22  ASN  25          2HD2      ASN  25   1.556  -2.262   1.411
  187    H    ILE  26           H        ILE  26   2.093  -7.537  -1.730
  188    HA   ILE  26           HA       ILE  26  -0.812  -7.600  -2.405
  189    HB   ILE  26           HB       ILE  26  -0.379  -9.488  -3.800
  190   HG12  ILE  26          2HG1      ILE  26   1.321 -10.462  -2.110
  191   HG13  ILE  26          1HG1      ILE  26   1.613 -10.758  -3.819
  192   HG21  ILE  26          1HG2      ILE  26   1.279  -7.079  -4.061
  193   HG22  ILE  26          2HG2      ILE  26   0.249  -7.873  -5.252
  194   HG23  ILE  26          3HG2      ILE  26   1.887  -8.464  -4.970
  195   HD11  ILE  26          3HD1      ILE  26   2.874  -8.289  -3.222
  196   HD12  ILE  26          1HD1      ILE  26   3.647  -9.830  -3.585
  197   HD13  ILE  26          2HD1      ILE  26   3.292  -9.393  -1.916
  198    H    TRP  27           H        TRP  27   1.344  -8.415   0.015
  199    HA   TRP  27           HA       TRP  27   0.260 -10.967   0.830
  200    HB2  TRP  27           2HB      TRP  27   1.597  -8.904   2.593
  201    HB3  TRP  27           1HB      TRP  27   1.542 -10.653   2.837
  202    HD1  TRP  27           HD       TRP  27   3.237  -7.964   0.737
  203    HE1  TRP  27           1HE      TRP  27   5.237  -9.007  -0.510
  204    HE3  TRP  27           3HE      TRP  27   2.507 -12.889   1.869
  205    HZ2  TRP  27           2HZ      TRP  27   6.378 -11.594  -0.964
  206    HZ3  TRP  27           3HZ      TRP  27   4.064 -14.620   1.019
  207    HH2  TRP  27           HH       TRP  27   5.997 -13.978  -0.395
  208    H    THR  28           H        THR  28  -1.963 -10.963   1.115
  209    HA   THR  28           HA       THR  28  -2.976  -9.432   3.413
  210    HB   THR  28           HB       THR  28  -3.205  -8.059   1.202
  211    HG1  THR  28           1HG      THR  28  -5.604  -7.785   1.994
  212   HG21  THR  28          3HG2      THR  28  -5.641  -9.821   0.895
  213   HG22  THR  28          1HG2      THR  28  -4.154 -10.103  -0.013
  214   HG23  THR  28          2HG2      THR  28  -5.036  -8.589  -0.212
  215    H    PHE  29           H        PHE  29  -5.511 -10.004   3.545
  216    HA   PHE  29           HA       PHE  29  -5.664 -12.959   3.126
  217    HB2  PHE  29           2HB      PHE  29  -6.946 -11.123   5.160
  218    HB3  PHE  29           1HB      PHE  29  -7.493 -12.781   4.911
  219    HD1  PHE  29           1HD      PHE  29  -5.293 -14.457   4.619
  220    HD2  PHE  29           2HD      PHE  29  -5.523 -10.877   6.983
  221    HE1  PHE  29           1HE      PHE  29  -3.451 -15.287   6.057
  222    HE2  PHE  29           2HE      PHE  29  -3.681 -11.708   8.420
  223    HZ   PHE  29           HZ       PHE  29  -2.646 -13.914   7.957
  224    H    ASP  30           H        ASP  30  -8.101 -10.371   3.549
  225    HA   ASP  30           HA       ASP  30  -9.993 -11.645   1.803
  226    HB2  ASP  30           2HB      ASP  30  -9.749  -8.958   3.101
  227    HB3  ASP  30           1HB      ASP  30 -10.913  -9.148   1.788
  228    H    ASN  31           H        ASN  31  -8.852  -8.352   1.156
  229    HA   ASN  31           HA       ASN  31  -9.082  -8.627  -1.671
  230    HB2  ASN  31           2HB      ASN  31  -8.684  -6.523   0.009
  231    HB3  ASN  31           1HB      ASN  31  -7.065  -6.700  -0.670
  232   HD21  ASN  31          1HD2      ASN  31 -10.271  -7.267  -2.213
  233   HD22  ASN  31          2HD2      ASN  31 -10.027  -6.155  -3.473
  234    H    ILE  32           H        ILE  32  -6.419  -7.476  -2.341
  235    HA   ILE  32           HA       ILE  32  -4.650  -9.831  -1.884
  236    HB   ILE  32           HB       ILE  32  -4.885  -8.576  -4.608
  237   HG12  ILE  32          2HG1      ILE  32  -7.144  -9.372  -3.945
  238   HG13  ILE  32          1HG1      ILE  32  -6.457 -10.358  -5.237
  239   HG21  ILE  32          1HG2      ILE  32  -3.824 -10.591  -5.335
  240   HG22  ILE  32          2HG2      ILE  32  -4.128 -11.386  -3.790
  241   HG23  ILE  32          3HG2      ILE  32  -2.953 -10.076  -3.891
  242   HD11  ILE  32          3HD1      ILE  32  -7.416 -11.266  -2.753
  243   HD12  ILE  32          1HD1      ILE  32  -5.660 -11.381  -2.647
  244   HD13  ILE  32          2HD1      ILE  32  -6.519 -12.203  -3.948
  245    H    ILE  33           H        ILE  33  -4.684  -6.748  -3.707
  246    HA   ILE  33           HA       ILE  33  -1.899  -6.237  -2.891
  247    HB   ILE  33           HB       ILE  33  -3.456  -4.121  -4.271
  248   HG12  ILE  33          2HG1      ILE  33  -4.401  -6.051  -5.374
  249   HG13  ILE  33          1HG1      ILE  33  -3.205  -5.345  -6.456
  250   HG21  ILE  33          1HG2      ILE  33  -0.941  -4.187  -3.759
  251   HG22  ILE  33          2HG2      ILE  33  -1.404  -3.776  -5.410
  252   HG23  ILE  33          3HG2      ILE  33  -0.830  -5.400  -5.035
  253   HD11  ILE  33          3HD1      ILE  33  -1.700  -7.084  -6.156
  254   HD12  ILE  33          1HD1      ILE  33  -3.223  -7.957  -5.987
  255   HD13  ILE  33          2HD1      ILE  33  -2.316  -7.482  -4.553
  256    H    ARG  34           H        ARG  34  -1.287  -4.259  -1.794
  257    HA   ARG  34           HA       ARG  34  -3.487  -2.895  -0.359
  258    HB2  ARG  34           2HB      ARG  34  -2.548  -4.705   1.122
  259    HB3  ARG  34           1HB      ARG  34  -1.022  -3.813   1.105
  260    HG2  ARG  34           2HG      ARG  34  -1.942  -1.962   2.218
  261    HG3  ARG  34           1HG      ARG  34  -3.583  -2.387   1.767
  262    HD2  ARG  34           2HD      ARG  34  -3.769  -3.299   3.825
  263    HD3  ARG  34           1HD      ARG  34  -2.745  -4.598   3.215
  264    HE   ARG  34           HE       ARG  34  -1.523  -2.186   4.486
  265   HH11  ARG  34          1HH1      ARG  34  -0.254  -4.854   3.367
  266   HH12  ARG  34          2HH1      ARG  34   0.192  -5.598   4.866
  267   HH21  ARG  34          1HH2      ARG  34  -1.724  -3.453   6.804
  268   HH22  ARG  34          2HH2      ARG  34  -0.641  -4.804   6.812
  269    H    ARG  35           H        ARG  35  -3.241  -0.939  -1.069
  270    HA   ARG  35           HA       ARG  35  -0.594   0.250  -1.561
  271    HB2  ARG  35           2HB      ARG  35  -3.369   1.419  -1.821
  272    HB3  ARG  35           1HB      ARG  35  -1.905   2.148  -2.425
  273    HG2  ARG  35           2HG      ARG  35  -2.311   1.046  -4.360
  274    HG3  ARG  35           1HG      ARG  35  -1.852  -0.422  -3.496
  275    HD2  ARG  35           2HD      ARG  35  -4.013  -1.125  -3.262
  276    HD3  ARG  35           1HD      ARG  35  -4.633   0.513  -3.062
  277    HE   ARG  35           HE       ARG  35  -5.302   0.149  -5.309
  278   HH11  ARG  35          1HH2      ARG  35  -2.632  -1.833  -4.916
  279   HH12  ARG  35          2HH2      ARG  35  -1.993  -1.590  -6.508
  280   HH21  ARG  35          1HH1      ARG  35  -4.224   0.941  -7.306
  281   HH22  ARG  35          2HH1      ARG  35  -2.896  -0.022  -7.862
  282    H    GLY  36           H        GLY  36   0.291   1.831  -0.216
  283    HA2  GLY  36           2HA      GLY  36  -1.301   3.116   1.871
  284    HA3  GLY  36           1HA      GLY  36  -0.141   1.955   2.482
  285    H    CYS  37           H        CYS  37   0.944   3.817   3.505
  286    HA   CYS  37           HA       CYS  37   2.662   5.291   1.548
  287    HB2  CYS  37           2HB      CYS  37   2.221   6.633   4.139
  288    HB3  CYS  37           1HB      CYS  37   2.244   7.312   2.516
  289    H    GLY  38           H        GLY  38   4.831   5.043   1.959
  290    HA2  GLY  38           2HA      GLY  38   6.785   4.686   3.269
  291    HA3  GLY  38           1HA      GLY  38   5.755   4.477   4.690
  292    H    CYS  39           H        CYS  39   7.920   2.691   3.537
  293    HA   CYS  39           HA       CYS  39   6.665   0.398   2.365
  294    HB2  CYS  39           2HB      CYS  39   9.064   0.313   4.174
  295    HB3  CYS  39           1HB      CYS  39   8.669  -0.804   2.883
  296    H    PHE  40           H        PHE  40   5.964  -1.565   3.397
  297    HA   PHE  40           HA       PHE  40   4.470  -1.122   5.799
  298    HB2  PHE  40           2HB      PHE  40   4.211  -3.660   5.764
  299    HB3  PHE  40           1HB      PHE  40   3.655  -2.800   4.340
  300    HD1  PHE  40           2HD      PHE  40   7.222  -2.783   4.542
  301    HD2  PHE  40           1HD      PHE  40   3.869  -5.188   3.360
  302    HE1  PHE  40           2HE      PHE  40   8.712  -4.157   3.147
  303    HE2  PHE  40           1HE      PHE  40   5.374  -6.574   1.962
  304    HZ   PHE  40           HZ       PHE  40   7.800  -6.065   1.864
  305    H    THR  41           H        THR  41   4.726  -2.654   7.761
  306    HA   THR  41           HA       THR  41   7.307  -2.082   8.924
  307    HB   THR  41           HB       THR  41   5.361  -3.919  10.249
  308    HG1  THR  41           1HG      THR  41   3.860  -2.499   9.942
  309   HG21  THR  41          3HG2      THR  41   6.103  -1.873  11.948
  310   HG22  THR  41          1HG2      THR  41   7.542  -2.095  10.952
  311   HG23  THR  41          2HG2      THR  41   6.878  -3.455  11.858
  312    HA   PRO  42           HA       PRO  42   7.903  -6.791   8.930
  313    HB2  PRO  42           2HB      PRO  42   6.148  -8.313   7.455
  314    HB3  PRO  42           1HB      PRO  42   5.899  -7.902   9.161
  315    HG2  PRO  42           2HG      PRO  42   4.501  -6.848   6.766
  316    HG3  PRO  42           1HG      PRO  42   3.972  -6.865   8.456
  317    HD2  PRO  42           2HD      PRO  42   5.068  -4.654   7.010
  318    HD3  PRO  42           1HD      PRO  42   4.665  -4.691   8.738
  319    H    ARG  43           H        ARG  43   8.894  -4.945   7.077
  320    HA   ARG  43           HA       ARG  43   8.826  -5.957   4.373
  321    HB2  ARG  43           2HB      ARG  43  10.765  -4.442   4.007
  322    HB3  ARG  43           1HB      ARG  43   9.428  -3.633   4.812
  323    HG2  ARG  43           2HG      ARG  43  10.677  -4.407   7.005
  324    HG3  ARG  43           1HG      ARG  43  12.074  -4.478   5.930
  325    HD2  ARG  43           2HD      ARG  43  10.821  -2.059   5.290
  326    HD3  ARG  43           1HD      ARG  43  10.735  -2.150   7.049
  327    HE   ARG  43           HE       ARG  43  13.205  -1.976   5.445
  328   HH11  ARG  43          1HH1      ARG  43  11.925  -0.829   8.196
  329   HH12  ARG  43          2HH1      ARG  43  13.212  -1.290   9.259
  330   HH21  ARG  43          1HH2      ARG  43  14.765  -3.329   6.925
  331   HH22  ARG  43          2HH2      ARG  43  14.819  -2.705   8.540
  332    H    GLY  44           H        GLY  44  11.162  -6.404   3.365
  333    HA2  GLY  44           2HA      GLY  44  13.308  -7.564   4.481
  334    HA3  GLY  44           1HA      GLY  44  12.098  -8.821   4.721
  335    H    ASP  45           H        ASP  45  13.442 -10.160   3.252
  336    HA   ASP  45           HA       ASP  45  13.457  -9.306   0.415
  337    HB2  ASP  45           2HB      ASP  45  15.112 -10.985   2.030
  338    HB3  ASP  45           1HB      ASP  45  14.416 -11.982   0.752
  339    H    MET  46           H        MET  46  11.857 -11.555   2.577
  340    HA   MET  46           HA       MET  46  10.707 -13.357   0.766
  341    HB2  MET  46           2HB      MET  46  10.288 -12.607   3.471
  342    HB3  MET  46           1HB      MET  46   8.712 -12.590   2.678
  343    HG2  MET  46           2HG      MET  46   8.926 -14.858   1.977
  344    HG3  MET  46           1HG      MET  46  10.648 -14.889   2.360
  345    HE1  MET  46           3HE      MET  46   7.215 -15.935   3.545
  346    HE2  MET  46           1HE      MET  46   7.961 -17.004   4.740
  347    HE3  MET  46           2HE      MET  46   8.566 -16.969   3.086
  348    HA   PRO  47           HA       PRO  47   7.213 -10.217  -0.046
  349    HB2  PRO  47           2HB      PRO  47   7.491  -7.706   1.026
  350    HB3  PRO  47           1HB      PRO  47   6.698  -9.047   1.867
  351    HG2  PRO  47           2HG      PRO  47   9.367  -7.838   2.375
  352    HG3  PRO  47           1HG      PRO  47   8.320  -8.749   3.476
  353    HD2  PRO  47           2HD      PRO  47  10.618  -9.736   2.112
  354    HD3  PRO  47           1HD      PRO  47   9.448 -10.699   3.035
  355    H    GLY  48           H        GLY  48   6.972  -8.458  -1.648
  356    HA2  GLY  48           2HA      GLY  48   9.387  -7.073  -2.533
  357    HA3  GLY  48           1HA      GLY  48   8.764  -8.272  -3.666
  358    HA   PRO  49           HA       PRO  49   5.214  -5.085  -3.249
  359    HB2  PRO  49           2HB      PRO  49   5.540  -3.071  -1.406
  360    HB3  PRO  49           1HB      PRO  49   4.790  -4.627  -1.027
  361    HG2  PRO  49           2HG      PRO  49   7.512  -3.643  -0.332
  362    HG3  PRO  49           1HG      PRO  49   6.463  -4.778   0.519
  363    HD2  PRO  49           2HD      PRO  49   8.658  -5.506  -1.071
  364    HD3  PRO  49           1HD      PRO  49   7.348  -6.596  -0.568
  365    H    TYR  50           H        TYR  50   5.213  -2.317  -3.109
  366    HA   TYR  50           HA       TYR  50   7.596  -1.511  -4.709
  367    HB2  TYR  50           2HB      TYR  50   5.017  -1.851  -5.725
  368    HB3  TYR  50           1HB      TYR  50   5.153  -0.112  -5.464
  369    HD1  TYR  50           1HD      TYR  50   6.988  -3.019  -6.946
  370    HD2  TYR  50           2HD      TYR  50   6.334   1.226  -6.988
  371    HE1  TYR  50           1HE      TYR  50   8.404  -2.820  -8.972
  372    HE2  TYR  50           2HE      TYR  50   7.751   1.425  -9.013
  373    HH   TYR  50           HH       TYR  50   9.056  -1.451 -10.631
  374    H    CYS  51           H        CYS  51   8.440  -0.428  -2.811
  375    HA   CYS  51           HA       CYS  51   6.806   1.614  -1.466
  376    HB2  CYS  51           2HB      CYS  51   9.201   0.295  -0.848
  377    HB3  CYS  51           1HB      CYS  51   9.645   1.977  -1.162
  378    H    CYS  52           H        CYS  52   6.391   3.450  -2.614
  379    HA   CYS  52           HA       CYS  52   8.449   4.461  -4.532
  380    HB2  CYS  52           2HB      CYS  52   6.348   4.059  -5.642
  381    HB3  CYS  52           1HB      CYS  52   5.458   4.898  -4.380
  382    H    GLU  53           H        GLU  53   8.589   6.890  -4.587
  383    HA   GLU  53           HA       GLU  53   8.115   7.967  -1.839
  384    HB2  GLU  53           2HB      GLU  53  10.242   9.043  -3.681
  385    HB3  GLU  53           1HB      GLU  53  10.145   9.133  -1.920
  386    HG2  GLU  53           2HG      GLU  53  10.642   6.793  -1.688
  387    HG3  GLU  53           1HG      GLU  53  10.477   6.527  -3.423
  388    H    SER  54           H        SER  54   5.965   8.332  -3.264
  389    HA   SER  54           HA       SER  54   5.979  11.207  -3.854
  390    HB2  SER  54           2HB      SER  54   6.510  10.427  -6.057
  391    HB3  SER  54           1HB      SER  54   5.306   9.149  -5.961
  392    HG   SER  54           HG       SER  54   5.019  11.688  -6.750
  393    H    ASP  55           H        ASP  55   3.753  11.992  -4.174
  394    HA   ASP  55           HA       ASP  55   1.978  10.757  -2.261
  395    HB2  ASP  55           2HB      ASP  55   1.739  13.065  -2.340
  396    HB3  ASP  55           1HB      ASP  55   1.794  13.122  -4.099
  397    H    LYS  56           H        LYS  56  -0.064   9.814  -2.656
  398    HA   LYS  56           HA       LYS  56  -1.321   8.132  -3.767
  399    HB2  LYS  56           2HB      LYS  56  -1.144  10.479  -5.652
  400    HB3  LYS  56           1HB      LYS  56  -2.095   9.055  -6.064
  401    HG2  LYS  56           2HG      LYS  56  -3.213   9.332  -3.769
  402    HG3  LYS  56           1HG      LYS  56  -2.466  10.929  -3.722
  403    HD2  LYS  56           2HD      LYS  56  -3.547  10.980  -6.213
  404    HD3  LYS  56           1HD      LYS  56  -4.711   9.944  -5.385
  405    HE2  LYS  56           2HE      LYS  56  -5.425  11.623  -3.993
  406    HE3  LYS  56           1HE      LYS  56  -3.839  12.393  -3.938
  407    HZ1  LYS  56           3HZ      LYS  56  -4.609  12.621  -6.543
  408    HZ2  LYS  56           1HZ      LYS  56  -4.671  13.848  -5.375
  409    HZ3  LYS  56           2HZ      LYS  56  -6.046  12.899  -5.682
  410    H    CYS  57           H        CYS  57   1.618   7.806  -4.050
  411    HA   CYS  57           HA       CYS  57   2.183   7.199  -6.818
  412    HB2  CYS  57           2HB      CYS  57   3.757   7.598  -4.679
  413    HB3  CYS  57           1HB      CYS  57   3.757   5.833  -4.705
  414    H    ASN  58           H        ASN  58   0.839   5.205  -4.187
  415    HA   ASN  58           HA       ASN  58   1.390   2.626  -5.019
  416    HB2  ASN  58           2HB      ASN  58  -1.514   3.095  -4.656
  417    HB3  ASN  58           1HB      ASN  58  -0.463   1.930  -3.865
  418   HD21  ASN  58          1HD2      ASN  58   0.502   2.518  -1.861
  419   HD22  ASN  58          2HD2      ASN  58   0.093   3.965  -1.057
  420    H    LEU  59           H        LEU  59  -0.621   4.977  -6.668
  421    HA   LEU  59           HA       LEU  59  -0.721   3.081  -8.941
  422    HB2  LEU  59           2HB      LEU  59  -3.102   4.095  -9.351
  423    HB3  LEU  59           1HB      LEU  59  -2.910   2.799  -8.171
  424    HG   LEU  59           HG       LEU  59  -2.415   5.400  -6.966
  425   HD11  LEU  59          1HD1      LEU  59  -5.203   5.504  -7.189
  426   HD12  LEU  59          2HD1      LEU  59  -4.640   5.192  -8.832
  427   HD13  LEU  59          3HD1      LEU  59  -4.052   6.601  -7.950
  428   HD21  LEU  59          3HD2      LEU  59  -4.761   4.048  -6.001
  429   HD22  LEU  59          1HD2      LEU  59  -3.179   4.179  -5.232
  430   HD23  LEU  59          2HD2      LEU  59  -3.514   2.847  -6.339
  Start of MODEL   11
    1    H1   ARG   1           1HT      ARG   1   3.401  11.158   2.433
    2    H2   ARG   1           2HT      ARG   1   3.058  11.659   4.019
    3    H3   ARG   1           3HT      ARG   1   4.195  12.507   3.087
    4    HA   ARG   1           HA       ARG   1   2.003  13.624   3.290
    5    HB2  ARG   1           2HB      ARG   1   1.901  14.209   0.899
    6    HB3  ARG   1           1HB      ARG   1   3.579  14.095   1.427
    7    HG2  ARG   1           2HG      ARG   1   2.183  11.710   0.217
    8    HG3  ARG   1           1HG      ARG   1   2.921  12.940  -0.805
    9    HD2  ARG   1           2HD      ARG   1   4.697  12.161   1.349
   10    HD3  ARG   1           1HD      ARG   1   4.222  10.768   0.386
   11    HE   ARG   1           HE       ARG   1   5.795  11.602  -1.153
   12   HH11  ARG   1          1HH1      ARG   1   5.878  14.083   0.884
   13   HH12  ARG   1          2HH1      ARG   1   5.801  15.365  -0.278
   14   HH21  ARG   1          1HH2      ARG   1   4.896  13.287  -2.901
   15   HH22  ARG   1          2HH2      ARG   1   5.246  14.914  -2.420
   16    H    ILE   2           H        ILE   2   0.609  12.831   0.509
   17    HA   ILE   2           HA       ILE   2  -1.335  11.045   1.868
   18    HB   ILE   2           HB       ILE   2  -1.641  12.354  -0.838
   19   HG12  ILE   2          2HG1      ILE   2  -3.022  13.559   1.456
   20   HG13  ILE   2          1HG1      ILE   2  -1.264  13.678   1.528
   21   HG21  ILE   2          1HG2      ILE   2  -3.815  11.634   1.119
   22   HG22  ILE   2          2HG2      ILE   2  -3.134  10.402   0.056
   23   HG23  ILE   2          3HG2      ILE   2  -3.920  11.824  -0.631
   24   HD11  ILE   2          3HD1      ILE   2  -2.468  14.271  -1.111
   25   HD12  ILE   2          1HD1      ILE   2  -1.144  15.080  -0.272
   26   HD13  ILE   2          2HD1      ILE   2  -2.816  15.442   0.161
   27    H    CYS   3           H        CYS   3  -1.621   8.968   1.258
   28    HA   CYS   3           HA       CYS   3  -0.419   8.167  -1.329
   29    HB2  CYS   3           2HB      CYS   3  -0.139   6.644   1.285
   30    HB3  CYS   3           1HB      CYS   3   0.351   6.022  -0.289
   31    H    TYR   4           H        TYR   4  -1.297   5.813  -1.881
   32    HA   TYR   4           HA       TYR   4  -4.195   6.052  -1.721
   33    HB2  TYR   4           2HB      TYR   4  -2.267   4.278  -3.121
   34    HB3  TYR   4           1HB      TYR   4  -3.837   3.576  -2.760
   35    HD1  TYR   4           2HD      TYR   4  -2.301   6.684  -4.194
   36    HD2  TYR   4           1HD      TYR   4  -5.642   3.988  -4.183
   37    HE1  TYR   4           2HE      TYR   4  -3.296   7.900  -6.114
   38    HE2  TYR   4           1HE      TYR   4  -6.629   5.202  -6.099
   39    HH   TYR   4           HH       TYR   4  -6.317   6.794  -7.625
   40    H    ASN   5           H        ASN   5  -5.590   4.738  -0.550
   41    HA   ASN   5           HA       ASN   5  -4.325   3.059   1.553
   42    HB2  ASN   5           2HB      ASN   5  -5.420   4.825   2.674
   43    HB3  ASN   5           1HB      ASN   5  -6.785   4.800   1.559
   44   HD21  ASN   5          1HD2      ASN   5  -5.368   1.858   2.953
   45   HD22  ASN   5          2HD2      ASN   5  -6.722   1.443   3.885
   46    H    HIS   6           H        HIS   6  -6.736   3.266  -0.971
   47    HA   HIS   6           HA       HIS   6  -8.341   1.071  -0.363
   48    HB2  HIS   6           2HB      HIS   6  -9.241   1.526  -2.369
   49    HB3  HIS   6           1HB      HIS   6  -8.000   2.755  -2.560
   50    HD1  HIS   6           1HD      HIS   6  -6.010   2.205  -4.130
   51    HD2  HIS   6           2HD      HIS   6  -8.783  -0.884  -3.828
   52    HE1  HIS   6           1HE      HIS   6  -5.487   0.588  -6.002
   53    H    LEU   7           H        LEU   7  -8.007  -1.001  -0.105
   54    HA   LEU   7           HA       LEU   7  -5.429  -2.193  -1.018
   55    HB2  LEU   7           2HB      LEU   7  -5.960  -3.954   0.682
   56    HB3  LEU   7           1HB      LEU   7  -5.863  -2.346   1.397
   57    HG   LEU   7           HG       LEU   7  -8.538  -2.702   0.510
   58   HD11  LEU   7          1HD1      LEU   7  -7.310  -5.191   1.241
   59   HD12  LEU   7          2HD1      LEU   7  -8.989  -4.883   0.801
   60   HD13  LEU   7          3HD1      LEU   7  -8.481  -4.748   2.483
   61   HD21  LEU   7          3HD2      LEU   7  -7.477  -1.420   2.497
   62   HD22  LEU   7          1HD2      LEU   7  -7.575  -2.955   3.360
   63   HD23  LEU   7          2HD2      LEU   7  -9.044  -2.184   2.762
   64    H    GLY   8           H        GLY   8  -5.656  -4.528  -1.742
   65    HA2  GLY   8           2HA      GLY   8  -6.603  -5.450  -3.888
   66    HA3  GLY   8           1HA      GLY   8  -7.264  -6.300  -2.504
   67    H    THR   9           H        THR   9  -9.275  -5.249  -1.544
   68    HA   THR   9           HA       THR   9 -11.389  -5.307  -3.334
   69    HB   THR   9           HB       THR   9 -11.816  -3.259  -1.292
   70    HG1  THR   9           1HG      THR   9 -10.885  -4.186   0.331
   71   HG21  THR   9          3HG2      THR   9 -12.914  -6.053  -1.266
   72   HG22  THR   9          1HG2      THR   9 -13.416  -4.930  -2.530
   73   HG23  THR   9          2HG2      THR   9 -13.712  -4.540  -0.835
   74    H    LYS  10           H        LYS  10 -12.094  -3.980  -4.883
   75    HA   LYS  10           HA       LYS  10 -10.589  -1.601  -5.546
   76    HB2  LYS  10           2HB      LYS  10 -11.450  -3.220  -7.230
   77    HB3  LYS  10           1HB      LYS  10 -13.079  -2.646  -6.879
   78    HG2  LYS  10           2HG      LYS  10 -11.122  -0.506  -7.428
   79    HG3  LYS  10           1HG      LYS  10 -11.449  -1.568  -8.797
   80    HD2  LYS  10           2HD      LYS  10 -13.597  -0.214  -7.140
   81    HD3  LYS  10           1HD      LYS  10 -13.003   0.391  -8.687
   82    HE2  LYS  10           2HE      LYS  10 -13.554  -2.208  -9.325
   83    HE3  LYS  10           1HE      LYS  10 -14.802  -1.882  -8.123
   84    HZ1  LYS  10           3HZ      LYS  10 -14.238  -0.098 -10.423
   85    HZ2  LYS  10           1HZ      LYS  10 -15.556  -0.020  -9.357
   86    HZ3  LYS  10           2HZ      LYS  10 -15.423  -1.314 -10.450
   87    HA   PRO  11           HA       PRO  11 -14.726   0.478  -4.356
   88    HB2  PRO  11           2HB      PRO  11 -15.718  -0.305  -1.919
   89    HB3  PRO  11           1HB      PRO  11 -16.262  -0.921  -3.489
   90    HG2  PRO  11           2HG      PRO  11 -14.548  -2.242  -1.452
   91    HG3  PRO  11           1HG      PRO  11 -15.558  -2.969  -2.712
   92    HD2  PRO  11           2HD      PRO  11 -12.753  -2.651  -2.786
   93    HD3  PRO  11           1HD      PRO  11 -13.765  -3.138  -4.146
   94    HA   PRO  12           HA       PRO  12 -12.673   2.185  -0.366
   95    HB2  PRO  12           2HB      PRO  12 -10.029   1.514  -0.082
   96    HB3  PRO  12           1HB      PRO  12 -11.356   0.658   0.715
   97    HG2  PRO  12           2HG      PRO  12  -9.731  -0.190  -1.640
   98    HG3  PRO  12           1HG      PRO  12 -10.568  -1.184  -0.438
   99    HD2  PRO  12           2HD      PRO  12 -11.488  -0.644  -3.034
  100    HD3  PRO  12           1HD      PRO  12 -12.476  -1.288  -1.721
  101    H    THR  13           H        THR  13 -10.579   3.803  -0.205
  102    HA   THR  13           HA       THR  13  -9.849   4.671  -2.968
  103    HB   THR  13           HB       THR  13 -11.953   5.835  -2.163
  104    HG1  THR  13           1HG      THR  13 -11.036   7.065  -3.616
  105   HG21  THR  13          3HG2      THR  13 -11.744   7.471  -0.398
  106   HG22  THR  13          1HG2      THR  13 -10.010   7.178  -0.269
  107   HG23  THR  13          2HG2      THR  13 -11.153   5.930   0.225
  108    H    THR  14           H        THR  14  -8.816   7.188  -2.139
  109    HA   THR  14           HA       THR  14  -6.329   6.298  -0.821
  110    HB   THR  14           HB       THR  14  -5.518   8.597  -1.544
  111    HG1  THR  14           1HG      THR  14  -7.905   9.168  -1.833
  112   HG21  THR  14          3HG2      THR  14  -5.648   6.209  -2.844
  113   HG22  THR  14          1HG2      THR  14  -4.777   7.623  -3.433
  114   HG23  THR  14          2HG2      THR  14  -6.407   7.283  -4.017
  115    H    GLU  15           H        GLU  15  -5.292   7.822   0.676
  116    HA   GLU  15           HA       GLU  15  -7.024   9.665   2.171
  117    HB2  GLU  15           2HB      GLU  15  -6.744   8.532   4.319
  118    HB3  GLU  15           1HB      GLU  15  -7.513   7.423   3.183
  119    HG2  GLU  15           2HG      GLU  15  -5.854   6.047   4.032
  120    HG3  GLU  15           1HG      GLU  15  -5.003   6.751   2.658
  121    H    THR  16           H        THR  16  -5.643  10.788   3.898
  122    HA   THR  16           HA       THR  16  -2.919  11.101   2.785
  123    HB   THR  16           HB       THR  16  -3.961  12.695   5.109
  124    HG1  THR  16           1HG      THR  16  -4.659  14.081   3.145
  125   HG21  THR  16          3HG2      THR  16  -1.961  13.655   4.666
  126   HG22  THR  16          1HG2      THR  16  -2.743  14.341   3.241
  127   HG23  THR  16          2HG2      THR  16  -1.829  12.838   3.108
  128    H    CYS  17           H        CYS  17  -1.034  10.852   4.075
  129    HA   CYS  17           HA       CYS  17  -1.417   9.577   6.736
  130    HB2  CYS  17           2HB      CYS  17  -1.066   7.995   4.618
  131    HB3  CYS  17           1HB      CYS  17   0.621   8.414   4.908
  132    H    GLN  18           H        GLN  18   1.050   9.097   7.547
  133    HA   GLN  18           HA       GLN  18   2.337  11.757   7.459
  134    HB2  GLN  18           2HB      GLN  18   1.970  10.843   9.660
  135    HB3  GLN  18           1HB      GLN  18   2.772   9.347   9.225
  136    HG2  GLN  18           2HG      GLN  18   4.120  11.184  10.542
  137    HG3  GLN  18           1HG      GLN  18   4.895  10.310   9.229
  138   HE21  GLN  18          1HE2      GLN  18   2.521  13.013   9.007
  139   HE22  GLN  18          2HE2      GLN  18   3.551  14.041   8.130
  140    H    GLU  19           H        GLU  19   3.173   8.355   6.965
  141    HA   GLU  19           HA       GLU  19   5.930   8.872   6.389
  142    HB2  GLU  19           2HB      GLU  19   4.840   6.619   4.870
  143    HB3  GLU  19           1HB      GLU  19   6.150   6.655   6.040
  144    HG2  GLU  19           2HG      GLU  19   3.185   6.525   6.653
  145    HG3  GLU  19           1HG      GLU  19   4.393   5.277   6.961
  146    H    ASP  20           H        ASP  20   6.786   9.870   4.721
  147    HA   ASP  20           HA       ASP  20   5.223  10.895   2.552
  148    HB2  ASP  20           2HB      ASP  20   7.938  10.748   1.680
  149    HB3  ASP  20           1HB      ASP  20   7.048  12.169   2.212
  150    H    SER  21           H        SER  21   6.660   7.859   3.135
  151    HA   SER  21           HA       SER  21   6.826   7.133   0.313
  152    HB2  SER  21           2HB      SER  21   6.842   4.796   1.884
  153    HB3  SER  21           1HB      SER  21   8.241   5.609   1.198
  154    HG   SER  21           HG       SER  21   8.549   5.555   3.383
  155    H    CYS  22           H        CYS  22   5.554   5.066  -0.344
  156    HA   CYS  22           HA       CYS  22   2.887   4.964   0.974
  157    HB2  CYS  22           2HB      CYS  22   3.221   4.965  -2.038
  158    HB3  CYS  22           1HB      CYS  22   1.722   5.065  -1.119
  159    H    TYR  23           H        TYR  23   2.669   2.816   1.555
  160    HA   TYR  23           HA       TYR  23   4.275   0.880  -0.006
  161    HB2  TYR  23           2HB      TYR  23   4.118  -0.641   1.804
  162    HB3  TYR  23           1HB      TYR  23   4.401   0.925   2.542
  163    HD1  TYR  23           1HD      TYR  23   1.593  -1.309   1.478
  164    HD2  TYR  23           2HD      TYR  23   2.981   1.626   4.277
  165    HE1  TYR  23           1HE      TYR  23  -0.469  -1.620   2.805
  166    HE2  TYR  23           2HE      TYR  23   0.909   1.330   5.606
  167    HH   TYR  23           HH       TYR  23  -1.048   0.301   5.763
  168    H    LYS  24           H        LYS  24   3.422  -0.628  -1.237
  169    HA   LYS  24           HA       LYS  24   0.546  -1.251  -1.039
  170    HB2  LYS  24           2HB      LYS  24   0.367   0.390  -2.678
  171    HB3  LYS  24           1HB      LYS  24   1.915  -0.006  -3.393
  172    HG2  LYS  24           2HG      LYS  24   0.490  -2.352  -3.723
  173    HG3  LYS  24           1HG      LYS  24  -0.733  -1.102  -3.961
  174    HD2  LYS  24           2HD      LYS  24   1.858  -0.527  -5.231
  175    HD3  LYS  24           1HD      LYS  24   1.011  -1.923  -5.898
  176    HE2  LYS  24           2HE      LYS  24  -0.958   0.048  -5.518
  177    HE3  LYS  24           1HE      LYS  24   0.422   0.887  -6.220
  178    HZ1  LYS  24           3HZ      LYS  24   0.127  -1.556  -7.543
  179    HZ2  LYS  24           1HZ      LYS  24  -0.083   0.006  -8.171
  180    HZ3  LYS  24           2HZ      LYS  24  -1.402  -0.819  -7.490
  181    H    ASN  25           H        ASN  25   0.908  -3.301  -0.415
  182    HA   ASN  25           HA       ASN  25   2.646  -4.964  -2.198
  183    HB2  ASN  25           2HB      ASN  25   2.869  -6.356   0.001
  184    HB3  ASN  25           1HB      ASN  25   3.819  -4.893  -0.192
  185   HD21  ASN  25          1HD2      ASN  25   2.576  -2.814   0.633
  186   HD22  ASN  25          2HD2      ASN  25   1.784  -3.009   2.121
  187    H    ILE  26           H        ILE  26   2.150  -7.358  -1.935
  188    HA   ILE  26           HA       ILE  26  -0.747  -7.761  -2.334
  189    HB   ILE  26           HB       ILE  26  -0.127  -9.883  -3.276
  190   HG12  ILE  26          2HG1      ILE  26   2.559 -10.262  -3.112
  191   HG13  ILE  26          1HG1      ILE  26   2.257  -9.488  -1.557
  192   HG21  ILE  26          1HG2      ILE  26   2.229  -8.817  -4.421
  193   HG22  ILE  26          2HG2      ILE  26   1.189  -7.438  -4.064
  194   HG23  ILE  26          3HG2      ILE  26   0.595  -8.750  -5.083
  195   HD11  ILE  26          3HD1      ILE  26   0.310 -11.582  -2.310
  196   HD12  ILE  26          1HD1      ILE  26   1.077 -11.265  -0.755
  197   HD13  ILE  26          2HD1      ILE  26   1.947 -12.160  -2.002
  198    H    TRP  27           H        TRP  27   1.677  -8.274   0.075
  199    HA   TRP  27           HA       TRP  27   0.428 -10.470   1.468
  200    HB2  TRP  27           2HB      TRP  27   2.062  -8.323   2.798
  201    HB3  TRP  27           1HB      TRP  27   1.982 -10.041   3.192
  202    HD1  TRP  27           HD       TRP  27   3.860  -7.572   1.107
  203    HE1  TRP  27           1HE      TRP  27   5.617  -8.790  -0.335
  204    HE3  TRP  27           3HE      TRP  27   2.388 -12.412   1.821
  205    HZ2  TRP  27           2HZ      TRP  27   6.307 -11.462  -1.086
  206    HZ3  TRP  27           3HZ      TRP  27   3.613 -14.271   0.730
  207    HH2  TRP  27           HH       TRP  27   5.567 -13.803  -0.721
  208    H    THR  28           H        THR  28  -1.358 -10.410   2.779
  209    HA   THR  28           HA       THR  28  -2.067  -7.949   4.199
  210    HB   THR  28           HB       THR  28  -2.935  -7.699   1.832
  211    HG1  THR  28           1HG      THR  28  -3.923  -6.966   4.021
  212   HG21  THR  28          3HG2      THR  28  -4.145  -9.353   0.910
  213   HG22  THR  28          1HG2      THR  28  -5.292  -9.303   2.248
  214   HG23  THR  28          2HG2      THR  28  -3.857 -10.323   2.355
  215    H    PHE  29           H        PHE  29  -4.607  -8.479   4.978
  216    HA   PHE  29           HA       PHE  29  -4.254 -10.911   6.599
  217    HB2  PHE  29           2HB      PHE  29  -6.210  -8.620   6.595
  218    HB3  PHE  29           1HB      PHE  29  -6.548 -10.084   7.517
  219    HD1  PHE  29           1HD      PHE  29  -4.521 -10.965   8.994
  220    HD2  PHE  29           2HD      PHE  29  -4.978  -6.922   7.618
  221    HE1  PHE  29           1HE      PHE  29  -3.011 -10.181  10.797
  222    HE2  PHE  29           2HE      PHE  29  -3.469  -6.136   9.421
  223    HZ   PHE  29           HZ       PHE  29  -2.486  -7.766  11.011
  224    H    ASP  30           H        ASP  30  -7.351  -9.800   5.293
  225    HA   ASP  30           HA       ASP  30  -7.704 -12.528   4.121
  226    HB2  ASP  30           2HB      ASP  30  -9.761 -10.550   5.155
  227    HB3  ASP  30           1HB      ASP  30 -10.148 -12.095   4.394
  228    H    ASN  31           H        ASN  31  -6.911  -9.517   3.158
  229    HA   ASN  31           HA       ASN  31  -8.637  -9.572   0.725
  230    HB2  ASN  31           2HB      ASN  31  -8.227  -7.467   2.294
  231    HB3  ASN  31           1HB      ASN  31  -6.765  -7.311   1.319
  232   HD21  ASN  31          1HD2      ASN  31 -10.212  -8.171   0.613
  233   HD22  ASN  31          2HD2      ASN  31 -10.355  -7.104  -0.701
  234    H    ILE  32           H        ILE  32  -6.330  -7.785  -0.457
  235    HA   ILE  32           HA       ILE  32  -4.352  -9.937  -0.934
  236    HB   ILE  32           HB       ILE  32  -5.741 -10.396  -2.755
  237   HG12  ILE  32          2HG1      ILE  32  -4.590  -9.435  -4.768
  238   HG13  ILE  32          1HG1      ILE  32  -3.717  -8.356  -3.683
  239   HG21  ILE  32          1HG2      ILE  32  -7.202  -8.986  -3.758
  240   HG22  ILE  32          2HG2      ILE  32  -6.067  -7.640  -3.764
  241   HG23  ILE  32          3HG2      ILE  32  -6.948  -8.046  -2.291
  242   HD11  ILE  32          3HD1      ILE  32  -2.211 -10.118  -3.834
  243   HD12  ILE  32          1HD1      ILE  32  -3.486 -11.327  -3.980
  244   HD13  ILE  32          2HD1      ILE  32  -3.139 -10.597  -2.412
  245    H    ILE  33           H        ILE  33  -4.948  -6.824  -2.601
  246    HA   ILE  33           HA       ILE  33  -2.131  -6.100  -2.076
  247    HB   ILE  33           HB       ILE  33  -4.085  -4.358  -3.553
  248   HG12  ILE  33          2HG1      ILE  33  -4.338  -6.745  -4.327
  249   HG13  ILE  33          1HG1      ILE  33  -3.785  -5.630  -5.573
  250   HG21  ILE  33          1HG2      ILE  33  -2.046  -3.896  -4.895
  251   HG22  ILE  33          2HG2      ILE  33  -1.143  -4.999  -3.856
  252   HG23  ILE  33          3HG2      ILE  33  -1.830  -3.520  -3.186
  253   HD11  ILE  33          3HD1      ILE  33  -2.517  -7.852  -5.400
  254   HD12  ILE  33          1HD1      ILE  33  -1.856  -7.232  -3.887
  255   HD13  ILE  33          2HD1      ILE  33  -1.535  -6.388  -5.402
  256    H    ARG  34           H        ARG  34  -1.573  -4.042  -1.038
  257    HA   ARG  34           HA       ARG  34  -3.852  -2.622   0.209
  258    HB2  ARG  34           2HB      ARG  34  -3.061  -4.410   1.819
  259    HB3  ARG  34           1HB      ARG  34  -1.564  -3.480   1.956
  260    HG2  ARG  34           2HG      ARG  34  -2.758  -1.535   2.726
  261    HG3  ARG  34           1HG      ARG  34  -4.304  -2.275   2.368
  262    HD2  ARG  34           2HD      ARG  34  -4.035  -2.520   4.710
  263    HD3  ARG  34           1HD      ARG  34  -3.656  -4.103   4.032
  264    HE   ARG  34           HE       ARG  34  -1.195  -2.866   4.140
  265   HH11  ARG  34          1HH2      ARG  34  -3.545  -4.159   6.238
  266   HH12  ARG  34          2HH2      ARG  34  -2.629  -3.883   7.682
  267   HH21  ARG  34          1HH1      ARG  34  -0.092  -2.164   6.062
  268   HH22  ARG  34          2HH1      ARG  34  -0.676  -2.754   7.583
  269    H    ARG  35           H        ARG  35  -3.499  -0.662  -0.550
  270    HA   ARG  35           HA       ARG  35  -0.779   0.446  -0.772
  271    HB2  ARG  35           2HB      ARG  35  -3.429   1.786  -1.367
  272    HB3  ARG  35           1HB      ARG  35  -1.838   2.313  -1.897
  273    HG2  ARG  35           2HG      ARG  35  -1.661   0.662  -3.494
  274    HG3  ARG  35           1HG      ARG  35  -2.638  -0.477  -2.573
  275    HD2  ARG  35           2HD      ARG  35  -4.525   0.155  -3.627
  276    HD3  ARG  35           1HD      ARG  35  -4.176   1.864  -3.374
  277    HE   ARG  35           HE       ARG  35  -3.201   1.943  -5.534
  278   HH11  ARG  35          1HH1      ARG  35  -2.572  -1.178  -4.431
  279   HH12  ARG  35          2HH1      ARG  35  -2.728  -1.937  -5.977
  280   HH21  ARG  35          1HH2      ARG  35  -3.910   0.903  -7.562
  281   HH22  ARG  35          2HH2      ARG  35  -3.482  -0.764  -7.744
  282    H    GLY  36           H        GLY  36   0.114   1.625   0.824
  283    HA2  GLY  36           2HA      GLY  36  -1.646   3.038   2.758
  284    HA3  GLY  36           1HA      GLY  36  -0.424   1.932   3.368
  285    H    CYS  37           H        CYS  37   0.664   3.667   4.420
  286    HA   CYS  37           HA       CYS  37   2.096   5.516   2.549
  287    HB2  CYS  37           2HB      CYS  37   2.260   7.033   4.569
  288    HB3  CYS  37           1HB      CYS  37   0.634   6.817   3.921
  289    H    GLY  38           H        GLY  38   4.120   4.605   2.334
  290    HA2  GLY  38           2HA      GLY  38   6.318   4.688   3.632
  291    HA3  GLY  38           1HA      GLY  38   5.476   3.717   4.836
  292    H    CYS  39           H        CYS  39   6.951   1.993   4.501
  293    HA   CYS  39           HA       CYS  39   6.654   0.629   1.870
  294    HB2  CYS  39           2HB      CYS  39   8.789   0.309   3.999
  295    HB3  CYS  39           1HB      CYS  39   8.658  -0.714   2.572
  296    H    PHE  40           H        PHE  40   7.003  -1.882   2.309
  297    HA   PHE  40           HA       PHE  40   4.628  -2.700   3.782
  298    HB2  PHE  40           2HB      PHE  40   5.999  -5.046   3.214
  299    HB3  PHE  40           1HB      PHE  40   4.802  -4.290   2.165
  300    HD1  PHE  40           2HD      PHE  40   5.474  -2.873   0.303
  301    HD2  PHE  40           1HD      PHE  40   8.372  -4.849   2.773
  302    HE1  PHE  40           2HE      PHE  40   7.232  -2.344  -1.359
  303    HE2  PHE  40           1HE      PHE  40  10.143  -4.313   1.122
  304    HZ   PHE  40           HZ       PHE  40   9.582  -3.061  -0.952
  305    H    THR  41           H        THR  41   5.132  -4.907   5.161
  306    HA   THR  41           HA       THR  41   6.776  -3.876   7.377
  307    HB   THR  41           HB       THR  41   5.156  -6.409   7.478
  308    HG1  THR  41           1HG      THR  41   4.359  -3.709   7.690
  309   HG21  THR  41          3HG2      THR  41   5.697  -4.371   9.628
  310   HG22  THR  41          1HG2      THR  41   6.836  -5.671   9.279
  311   HG23  THR  41          2HG2      THR  41   5.200  -6.053   9.812
  312    HA   PRO  42           HA       PRO  42   9.014  -7.964   6.718
  313    HB2  PRO  42           2HB      PRO  42   8.254  -9.598   4.641
  314    HB3  PRO  42           1HB      PRO  42   7.523  -9.663   6.253
  315    HG2  PRO  42           2HG      PRO  42   6.352  -8.664   3.734
  316    HG3  PRO  42           1HG      PRO  42   5.540  -9.107   5.243
  317    HD2  PRO  42           2HD      PRO  42   6.217  -6.468   4.285
  318    HD3  PRO  42           1HD      PRO  42   5.341  -6.881   5.772
  319    H    ARG  43           H        ARG  43   9.658  -5.537   5.470
  320    HA   ARG  43           HA       ARG  43  10.336  -5.602   2.739
  321    HB2  ARG  43           2HB      ARG  43  12.366  -4.153   3.551
  322    HB3  ARG  43           1HB      ARG  43  10.731  -3.536   3.752
  323    HG2  ARG  43           2HG      ARG  43  11.461  -5.204   6.001
  324    HG3  ARG  43           1HG      ARG  43  12.648  -3.920   5.774
  325    HD2  ARG  43           2HD      ARG  43  10.750  -2.277   5.658
  326    HD3  ARG  43           1HD      ARG  43   9.651  -3.590   6.078
  327    HE   ARG  43           HE       ARG  43  11.547  -3.682   8.084
  328   HH11  ARG  43          1HH2      ARG  43   8.671  -2.166   7.500
  329   HH12  ARG  43          2HH2      ARG  43   8.908  -0.850   8.600
  330   HH21  ARG  43          1HH1      ARG  43  12.249  -1.580   9.170
  331   HH22  ARG  43          2HH1      ARG  43  10.933  -0.518   9.546
  332    H    GLY  44           H        GLY  44  12.201  -6.295   1.616
  333    HA2  GLY  44           2HA      GLY  44  14.593  -7.259   2.486
  334    HA3  GLY  44           1HA      GLY  44  13.508  -8.611   2.791
  335    H    ASP  45           H        ASP  45  15.266  -9.387   1.060
  336    HA   ASP  45           HA       ASP  45  14.442  -8.653  -1.685
  337    HB2  ASP  45           2HB      ASP  45  16.354 -10.100  -2.366
  338    HB3  ASP  45           1HB      ASP  45  16.840  -8.815  -1.258
  339    H    MET  46           H        MET  46  13.175 -10.656   0.537
  340    HA   MET  46           HA       MET  46  12.933 -13.043  -1.156
  341    HB2  MET  46           2HB      MET  46  12.592 -12.476   1.618
  342    HB3  MET  46           1HB      MET  46  11.069 -13.116   0.999
  343    HG2  MET  46           2HG      MET  46  12.441 -14.985   1.707
  344    HG3  MET  46           1HG      MET  46  12.363 -14.995  -0.055
  345    HE1  MET  46           3HE      MET  46  15.885 -16.180   1.470
  346    HE2  MET  46           1HE      MET  46  14.802 -16.659   0.156
  347    HE3  MET  46           2HE      MET  46  14.176 -16.463   1.790
  348    HA   PRO  47           HA       PRO  47   8.462 -11.494  -1.485
  349    HB2  PRO  47           2HB      PRO  47   7.764  -9.206  -0.137
  350    HB3  PRO  47           1HB      PRO  47   7.694 -10.819   0.586
  351    HG2  PRO  47           2HG      PRO  47   9.642  -8.630   1.089
  352    HG3  PRO  47           1HG      PRO  47   9.189  -9.990   2.130
  353    HD2  PRO  47           2HD      PRO  47  11.537  -9.774   0.522
  354    HD3  PRO  47           1HD      PRO  47  10.993 -11.202   1.418
  355    H    GLY  48           H        GLY  48   7.390  -9.789  -2.859
  356    HA2  GLY  48           2HA      GLY  48   9.275  -7.717  -3.820
  357    HA3  GLY  48           1HA      GLY  48   8.477  -8.769  -4.981
  358    HA   PRO  49           HA       PRO  49   4.911  -6.215  -3.152
  359    HB2  PRO  49           2HB      PRO  49   5.438  -4.643  -0.966
  360    HB3  PRO  49           1HB      PRO  49   4.894  -6.324  -0.864
  361    HG2  PRO  49           2HG      PRO  49   7.589  -5.199  -0.343
  362    HG3  PRO  49           1HG      PRO  49   6.869  -6.690   0.261
  363    HD2  PRO  49           2HD      PRO  49   8.761  -6.476  -1.843
  364    HD3  PRO  49           1HD      PRO  49   7.824  -7.907  -1.396
  365    H    TYR  50           H        TYR  50   4.587  -3.534  -2.499
  366    HA   TYR  50           HA       TYR  50   6.558  -2.151  -4.270
  367    HB2  TYR  50           2HB      TYR  50   3.810  -2.658  -4.795
  368    HB3  TYR  50           1HB      TYR  50   3.993  -0.923  -4.533
  369    HD1  TYR  50           1HD      TYR  50   5.932  -3.689  -6.182
  370    HD2  TYR  50           2HD      TYR  50   4.453   0.336  -6.431
  371    HE1  TYR  50           1HE      TYR  50   6.947  -3.457  -8.434
  372    HE2  TYR  50           2HE      TYR  50   5.468   0.570  -8.682
  373    HH   TYR  50           HH       TYR  50   7.362  -0.491  -9.961
  374    H    CYS  51           H        CYS  51   7.588  -0.703  -3.007
  375    HA   CYS  51           HA       CYS  51   5.954   1.058  -1.173
  376    HB2  CYS  51           2HB      CYS  51   7.654  -0.288   0.073
  377    HB3  CYS  51           1HB      CYS  51   8.911   0.342  -0.986
  378    H    CYS  52           H        CYS  52   6.772   3.323  -1.203
  379    HA   CYS  52           HA       CYS  52   8.638   4.098  -3.319
  380    HB2  CYS  52           2HB      CYS  52   6.716   3.677  -4.720
  381    HB3  CYS  52           1HB      CYS  52   5.677   4.610  -3.654
  382    H    GLU  53           H        GLU  53   8.869   6.469  -3.408
  383    HA   GLU  53           HA       GLU  53   7.955   7.727  -0.871
  384    HB2  GLU  53           2HB      GLU  53  10.532   8.400  -2.273
  385    HB3  GLU  53           1HB      GLU  53  10.013   8.862  -0.647
  386    HG2  GLU  53           2HG      GLU  53  10.157   6.610   0.146
  387    HG3  GLU  53           1HG      GLU  53  10.366   5.980  -1.489
  388    H    SER  54           H        SER  54   6.213   8.066  -2.719
  389    HA   SER  54           HA       SER  54   6.542  10.893  -3.542
  390    HB2  SER  54           2HB      SER  54   5.237   9.107  -5.528
  391    HB3  SER  54           1HB      SER  54   6.208  10.551  -5.793
  392    HG   SER  54           HG       SER  54   7.996   9.150  -4.968
  393    H    ASP  55           H        ASP  55   4.335  11.842  -4.033
  394    HA   ASP  55           HA       ASP  55   2.443  10.882  -2.081
  395    HB2  ASP  55           2HB      ASP  55   2.410  13.209  -2.562
  396    HB3  ASP  55           1HB      ASP  55   2.178  12.935  -4.286
  397    H    LYS  56           H        LYS  56   0.511   9.864  -2.383
  398    HA   LYS  56           HA       LYS  56  -0.714   8.039  -3.308
  399    HB2  LYS  56           2HB      LYS  56  -1.923   8.720  -5.302
  400    HB3  LYS  56           1HB      LYS  56  -1.751  10.122  -4.251
  401    HG2  LYS  56           2HG      LYS  56   0.127  10.935  -5.570
  402    HG3  LYS  56           1HG      LYS  56   0.098   9.484  -6.567
  403    HD2  LYS  56           2HD      LYS  56  -1.777  10.139  -7.727
  404    HD3  LYS  56           1HD      LYS  56  -2.438  11.036  -6.360
  405    HE2  LYS  56           2HE      LYS  56  -0.207  12.498  -6.841
  406    HE3  LYS  56           1HE      LYS  56  -0.556  11.926  -8.473
  407    HZ1  LYS  56           3HZ      LYS  56  -2.805  12.919  -6.907
  408    HZ2  LYS  56           1HZ      LYS  56  -2.486  13.072  -8.566
  409    HZ3  LYS  56           2HZ      LYS  56  -1.686  14.075  -7.453
  410    H    CYS  57           H        CYS  57   2.100   7.641  -3.583
  411    HA   CYS  57           HA       CYS  57   2.783   6.964  -6.312
  412    HB2  CYS  57           2HB      CYS  57   4.242   7.429  -4.117
  413    HB3  CYS  57           1HB      CYS  57   4.206   5.668  -4.046
  414    H    ASN  58           H        ASN  58   0.961   5.204  -3.918
  415    HA   ASN  58           HA       ASN  58   1.691   2.627  -5.079
  416    HB2  ASN  58           2HB      ASN  58  -0.396   1.992  -3.494
  417    HB3  ASN  58           1HB      ASN  58   1.256   2.134  -2.907
  418   HD21  ASN  58          1HD2      ASN  58   0.202   2.685  -0.792
  419   HD22  ASN  58          2HD2      ASN  58  -0.328   4.277  -0.519
  420    H    LEU  59           H        LEU  59   0.288   4.667  -6.767
  421    HA   LEU  59           HA       LEU  59  -2.030   2.929  -7.492
  422    HB2  LEU  59           2HB      LEU  59  -2.543   5.274  -6.513
  423    HB3  LEU  59           1HB      LEU  59  -1.977   5.890  -8.063
  424    HG   LEU  59           HG       LEU  59  -4.378   5.604  -8.202
  425   HD11  LEU  59          1HD1      LEU  59  -3.267   3.168  -9.581
  426   HD12  LEU  59          2HD1      LEU  59  -2.819   4.792 -10.101
  427   HD13  LEU  59          3HD1      LEU  59  -4.507   4.286 -10.149
  428   HD21  LEU  59          3HD2      LEU  59  -5.528   3.847  -7.301
  429   HD22  LEU  59          1HD2      LEU  59  -4.061   3.636  -6.344
  430   HD23  LEU  59          2HD2      LEU  59  -4.313   2.673  -7.799
  Start of MODEL   12
    1    H1   ARG   1           1HT      ARG   1   4.041  11.973   3.262
    2    H2   ARG   1           2HT      ARG   1   3.301  10.691   2.426
    3    H3   ARG   1           3HT      ARG   1   2.556  11.355   3.801
    4    HA   ARG   1           HA       ARG   1   2.224  13.447   2.667
    5    HB2  ARG   1           2HB      ARG   1   2.906  13.779   0.414
    6    HB3  ARG   1           1HB      ARG   1   4.295  13.040   1.206
    7    HG2  ARG   1           2HG      ARG   1   2.581  10.954   0.219
    8    HG3  ARG   1           1HG      ARG   1   2.895  12.090  -1.082
    9    HD2  ARG   1           2HD      ARG   1   5.048  10.923   0.657
   10    HD3  ARG   1           1HD      ARG   1   4.576  10.221  -0.873
   11    HE   ARG   1           HE       ARG   1   5.987  11.806  -1.836
   12   HH11  ARG   1          1HH1      ARG   1   4.068  14.072  -1.154
   13   HH12  ARG   1          2HH1      ARG   1   5.121  15.148  -0.301
   14   HH21  ARG   1          1HH2      ARG   1   7.585  12.770   0.207
   15   HH22  ARG   1          2HH2      ARG   1   7.105  14.413   0.470
   16    H    ILE   2           H        ILE   2   1.195  12.767  -0.164
   17    HA   ILE   2           HA       ILE   2  -1.298  11.518   0.805
   18    HB   ILE   2           HB       ILE   2  -0.511  12.708  -1.866
   19   HG12  ILE   2          2HG1      ILE   2  -2.611  14.124  -0.970
   20   HG13  ILE   2          1HG1      ILE   2  -1.970  13.554   0.571
   21   HG21  ILE   2          1HG2      ILE   2  -3.204  11.605  -0.992
   22   HG22  ILE   2          2HG2      ILE   2  -2.106  10.783  -2.102
   23   HG23  ILE   2          3HG2      ILE   2  -2.825  12.328  -2.556
   24   HD11  ILE   2          3HD1      ILE   2  -0.325  15.086   0.487
   25   HD12  ILE   2          1HD1      ILE   2  -0.994  15.699  -1.025
   26   HD13  ILE   2          2HD1      ILE   2   0.222  14.424  -1.054
   27    H    CYS   3           H        CYS   3  -1.418   9.324   0.807
   28    HA   CYS   3           HA       CYS   3  -0.205   7.980  -1.547
   29    HB2  CYS   3           2HB      CYS   3  -0.339   6.844   1.259
   30    HB3  CYS   3           1HB      CYS   3   0.339   6.038  -0.148
   31    H    TYR   4           H        TYR   4  -1.281   5.863  -2.074
   32    HA   TYR   4           HA       TYR   4  -4.169   6.261  -1.933
   33    HB2  TYR   4           2HB      TYR   4  -2.340   4.462  -3.443
   34    HB3  TYR   4           1HB      TYR   4  -4.002   3.920  -3.205
   35    HD1  TYR   4           2HD      TYR   4  -2.235   7.137  -3.966
   36    HD2  TYR   4           1HD      TYR   4  -5.498   4.507  -4.891
   37    HE1  TYR   4           2HE      TYR   4  -2.998   8.707  -5.722
   38    HE2  TYR   4           1HE      TYR   4  -6.264   6.078  -6.650
   39    HH   TYR   4           HH       TYR   4  -4.625   9.195  -7.167
   40    H    ASN   5           H        ASN   5  -5.638   5.000  -0.871
   41    HA   ASN   5           HA       ASN   5  -4.539   3.057   1.110
   42    HB2  ASN   5           2HB      ASN   5  -5.546   4.761   2.375
   43    HB3  ASN   5           1HB      ASN   5  -6.828   5.010   1.192
   44   HD21  ASN   5          1HD2      ASN   5  -5.665   2.027   2.859
   45   HD22  ASN   5          2HD2      ASN   5  -7.193   1.594   3.454
   46    H    HIS   6           H        HIS   6  -6.100   3.199  -1.797
   47    HA   HIS   6           HA       HIS   6  -8.343   1.548  -1.622
   48    HB2  HIS   6           2HB      HIS   6  -7.947   2.406  -3.736
   49    HB3  HIS   6           1HB      HIS   6  -6.256   1.952  -3.732
   50    HD1  HIS   6           1HD      HIS   6  -9.680   0.266  -3.782
   51    HD2  HIS   6           2HD      HIS   6  -5.786  -0.427  -5.092
   52    HE1  HIS   6           1HE      HIS   6  -9.749  -1.868  -5.143
   53    H    LEU   7           H        LEU   7  -8.689  -0.609  -1.505
   54    HA   LEU   7           HA       LEU   7  -6.333  -2.299  -0.778
   55    HB2  LEU   7           2HB      LEU   7  -8.474  -3.807  -0.031
   56    HB3  LEU   7           1HB      LEU   7  -7.652  -2.676   1.041
   57    HG   LEU   7           HG       LEU   7  -9.907  -1.770  -0.740
   58   HD11  LEU   7          1HD1      LEU   7 -10.783  -3.635   0.586
   59   HD12  LEU   7          2HD1      LEU   7 -11.410  -2.110   1.214
   60   HD13  LEU   7          3HD1      LEU   7 -10.097  -2.936   2.053
   61   HD21  LEU   7          3HD2      LEU   7  -9.618   0.192   0.344
   62   HD22  LEU   7          1HD2      LEU   7  -8.111  -0.482   0.966
   63   HD23  LEU   7          2HD2      LEU   7  -9.592  -0.605   1.917
   64    H    GLY   8           H        GLY   8  -6.042  -4.288  -1.752
   65    HA2  GLY   8           2HA      GLY   8  -5.961  -5.146  -4.112
   66    HA3  GLY   8           1HA      GLY   8  -7.013  -6.154  -3.129
   67    H    THR   9           H        THR   9  -9.244  -6.145  -3.546
   68    HA   THR   9           HA       THR   9 -10.073  -4.563  -5.950
   69    HB   THR   9           HB       THR   9 -11.648  -6.399  -6.440
   70    HG1  THR   9           1HG      THR   9 -10.698  -7.239  -3.966
   71   HG21  THR   9          3HG2      THR   9  -9.241  -6.411  -7.255
   72   HG22  THR   9          1HG2      THR   9 -10.025  -7.991  -7.204
   73   HG23  THR   9          2HG2      THR   9  -8.886  -7.529  -5.938
   74    H    LYS  10           H        LYS  10 -10.342  -3.226  -3.630
   75    HA   LYS  10           HA       LYS  10 -13.249  -3.493  -2.940
   76    HB2  LYS  10           2HB      LYS  10 -10.969  -3.495  -1.268
   77    HB3  LYS  10           1HB      LYS  10 -11.720  -1.917  -1.050
   78    HG2  LYS  10           2HG      LYS  10 -12.938  -3.151   0.491
   79    HG3  LYS  10           1HG      LYS  10 -13.943  -3.383  -0.939
   80    HD2  LYS  10           2HD      LYS  10 -12.519  -5.467  -1.407
   81    HD3  LYS  10           1HD      LYS  10 -11.918  -5.289   0.242
   82    HE2  LYS  10           2HE      LYS  10 -14.877  -5.316  -0.342
   83    HE3  LYS  10           1HE      LYS  10 -13.978  -6.816  -0.123
   84    HZ1  LYS  10           3HZ      LYS  10 -14.664  -6.343   2.005
   85    HZ2  LYS  10           1HZ      LYS  10 -14.499  -4.665   1.815
   86    HZ3  LYS  10           2HZ      LYS  10 -13.118  -5.638   1.995
   87    HA   PRO  11           HA       PRO  11 -13.732   0.717  -4.179
   88    HB2  PRO  11           2HB      PRO  11 -14.500   2.207  -1.986
   89    HB3  PRO  11           1HB      PRO  11 -15.580   1.113  -2.868
   90    HG2  PRO  11           2HG      PRO  11 -14.265   0.724  -0.218
   91    HG3  PRO  11           1HG      PRO  11 -15.779   0.039  -0.834
   92    HD2  PRO  11           2HD      PRO  11 -13.338  -1.316  -0.662
   93    HD3  PRO  11           1HD      PRO  11 -14.722  -1.837  -1.639
   94    HA   PRO  12           HA       PRO  12  -9.590   2.047  -3.179
   95    HB2  PRO  12           2HB      PRO  12  -9.233   3.496  -5.491
   96    HB3  PRO  12           1HB      PRO  12  -9.035   1.741  -5.381
   97    HG2  PRO  12           2HG      PRO  12 -11.281   3.303  -6.564
   98    HG3  PRO  12           1HG      PRO  12 -10.699   1.682  -6.982
   99    HD2  PRO  12           2HD      PRO  12 -12.980   2.249  -5.430
  100    HD3  PRO  12           1HD      PRO  12 -12.161   0.675  -5.525
  101    H    THR  13           H        THR  13  -9.015   3.726  -1.939
  102    HA   THR  13           HA       THR  13 -10.046   6.440  -2.561
  103    HB   THR  13           HB       THR  13 -11.462   6.488  -0.808
  104    HG1  THR  13           1HG      THR  13 -10.564   6.750   1.159
  105   HG21  THR  13          3HG2      THR  13 -11.588   3.998  -1.051
  106   HG22  THR  13          1HG2      THR  13 -11.871   4.553   0.599
  107   HG23  THR  13          2HG2      THR  13 -10.311   3.857   0.159
  108    H    THR  14           H        THR  14  -8.428   7.980  -2.200
  109    HA   THR  14           HA       THR  14  -5.793   6.952  -1.594
  110    HB   THR  14           HB       THR  14  -5.121   9.395  -1.647
  111    HG1  THR  14           1HG      THR  14  -6.905  10.676  -2.624
  112   HG21  THR  14          3HG2      THR  14  -6.544   9.213  -4.149
  113   HG22  THR  14          1HG2      THR  14  -5.900   7.633  -3.699
  114   HG23  THR  14          2HG2      THR  14  -4.819   9.020  -3.833
  115    H    GLU  15           H        GLU  15  -4.454   8.366   0.080
  116    HA   GLU  15           HA       GLU  15  -6.014   8.995   2.499
  117    HB2  GLU  15           2HB      GLU  15  -4.524   6.470   2.145
  118    HB3  GLU  15           1HB      GLU  15  -4.155   7.338   3.635
  119    HG2  GLU  15           2HG      GLU  15  -6.907   6.513   2.669
  120    HG3  GLU  15           1HG      GLU  15  -6.028   5.829   4.036
  121    H    THR  16           H        THR  16  -4.844  10.307   3.936
  122    HA   THR  16           HA       THR  16  -2.165  11.154   2.918
  123    HB   THR  16           HB       THR  16  -3.166  13.041   4.792
  124    HG1  THR  16           1HG      THR  16  -5.054  12.198   2.853
  125   HG21  THR  16          3HG2      THR  16  -3.346  13.383   1.815
  126   HG22  THR  16          1HG2      THR  16  -1.771  13.210   2.589
  127   HG23  THR  16          2HG2      THR  16  -2.833  14.546   3.037
  128    H    CYS  17           H        CYS  17  -0.465  10.700   4.234
  129    HA   CYS  17           HA       CYS  17  -0.995  10.354   7.150
  130    HB2  CYS  17           2HB      CYS  17   0.899   8.533   5.671
  131    HB3  CYS  17           1HB      CYS  17   0.170   8.305   7.261
  132    H    GLN  18           H        GLN  18   1.594   9.755   7.940
  133    HA   GLN  18           HA       GLN  18   2.919  12.342   7.382
  134    HB2  GLN  18           2HB      GLN  18   2.663  11.576   9.726
  135    HB3  GLN  18           1HB      GLN  18   3.673  10.184   9.360
  136    HG2  GLN  18           2HG      GLN  18   4.955  12.110  10.359
  137    HG3  GLN  18           1HG      GLN  18   5.544  11.594   8.783
  138   HE21  GLN  18          1HE2      GLN  18   4.916  12.931   6.878
  139   HE22  GLN  18          2HE2      GLN  18   4.484  14.559   7.085
  140    H    GLU  19           H        GLU  19   3.564   8.877   7.187
  141    HA   GLU  19           HA       GLU  19   6.292   9.189   6.359
  142    HB2  GLU  19           2HB      GLU  19   5.127   6.878   5.076
  143    HB3  GLU  19           1HB      GLU  19   6.346   6.939   6.339
  144    HG2  GLU  19           2HG      GLU  19   3.349   7.103   6.789
  145    HG3  GLU  19           1HG      GLU  19   4.352   5.684   7.082
  146    H    ASP  20           H        ASP  20   7.017  10.031   4.502
  147    HA   ASP  20           HA       ASP  20   5.152  10.752   2.416
  148    HB2  ASP  20           2HB      ASP  20   7.752  10.788   1.274
  149    HB3  ASP  20           1HB      ASP  20   6.791  12.159   1.804
  150    H    SER  21           H        SER  21   6.614   7.866   3.250
  151    HA   SER  21           HA       SER  21   6.921   6.833   0.543
  152    HB2  SER  21           2HB      SER  21   6.671   4.768   2.521
  153    HB3  SER  21           1HB      SER  21   8.104   5.246   1.615
  154    HG   SER  21           HG       SER  21   8.782   5.984   3.459
  155    H    CYS  22           H        CYS  22   5.489   5.146  -0.304
  156    HA   CYS  22           HA       CYS  22   2.828   5.037   1.045
  157    HB2  CYS  22           2HB      CYS  22   3.203   5.133  -1.956
  158    HB3  CYS  22           1HB      CYS  22   1.691   5.212  -1.073
  159    H    TYR  23           H        TYR  23   2.451   2.892   1.498
  160    HA   TYR  23           HA       TYR  23   4.165   0.984   0.025
  161    HB2  TYR  23           2HB      TYR  23   3.923  -0.525   1.848
  162    HB3  TYR  23           1HB      TYR  23   4.204   1.060   2.547
  163    HD1  TYR  23           1HD      TYR  23   1.374  -1.149   1.467
  164    HD2  TYR  23           2HD      TYR  23   2.774   1.810   4.241
  165    HE1  TYR  23           1HE      TYR  23  -0.723  -1.378   2.755
  166    HE2  TYR  23           2HE      TYR  23   0.669   1.586   5.532
  167    HH   TYR  23           HH       TYR  23  -1.439   0.754   5.487
  168    H    LYS  24           H        LYS  24   3.431  -0.701  -1.041
  169    HA   LYS  24           HA       LYS  24   0.520  -1.288  -1.115
  170    HB2  LYS  24           2HB      LYS  24   1.831   0.132  -3.159
  171    HB3  LYS  24           1HB      LYS  24   1.672  -1.521  -3.751
  172    HG2  LYS  24           2HG      LYS  24  -0.763  -1.264  -2.719
  173    HG3  LYS  24           1HG      LYS  24  -0.445   0.436  -3.053
  174    HD2  LYS  24           2HD      LYS  24  -0.502  -1.870  -4.997
  175    HD3  LYS  24           1HD      LYS  24  -1.431  -0.374  -5.053
  176    HE2  LYS  24           2HE      LYS  24   1.102   0.615  -5.085
  177    HE3  LYS  24           1HE      LYS  24   1.341  -0.907  -5.939
  178    HZ1  LYS  24           3HZ      LYS  24  -1.023   0.500  -6.760
  179    HZ2  LYS  24           1HZ      LYS  24   0.218  -0.173  -7.700
  180    HZ3  LYS  24           2HZ      LYS  24   0.403   1.381  -7.041
  181    H    ASN  25           H        ASN  25   0.762  -3.327  -0.213
  182    HA   ASN  25           HA       ASN  25   2.677  -5.126  -1.658
  183    HB2  ASN  25           2HB      ASN  25   2.598  -6.370   0.666
  184    HB3  ASN  25           1HB      ASN  25   3.670  -5.000   0.427
  185   HD21  ASN  25          1HD2      ASN  25   2.450  -2.772   0.895
  186   HD22  ASN  25          2HD2      ASN  25   1.553  -2.769   2.332
  187    H    ILE  26           H        ILE  26   2.092  -7.408  -1.646
  188    HA   ILE  26           HA       ILE  26  -0.850  -7.754  -1.851
  189    HB   ILE  26           HB       ILE  26  -0.449  -9.515  -3.359
  190   HG12  ILE  26          2HG1      ILE  26   1.235 -10.666  -1.851
  191   HG13  ILE  26          1HG1      ILE  26   1.603 -10.749  -3.571
  192   HG21  ILE  26          1HG2      ILE  26   0.329  -8.162  -4.965
  193   HG22  ILE  26          2HG2      ILE  26   1.969  -8.315  -4.337
  194   HG23  ILE  26          3HG2      ILE  26   0.901  -7.055  -3.717
  195   HD11  ILE  26          3HD1      ILE  26   3.663 -10.141  -2.624
  196   HD12  ILE  26          1HD1      ILE  26   2.912  -9.067  -1.446
  197   HD13  ILE  26          2HD1      ILE  26   3.001  -8.592  -3.141
  198    H    TRP  27           H        TRP  27   1.842  -8.626   0.106
  199    HA   TRP  27           HA       TRP  27   0.820 -11.116   1.143
  200    HB2  TRP  27           2HB      TRP  27   2.650  -9.155   2.551
  201    HB3  TRP  27           1HB      TRP  27   2.509 -10.887   2.853
  202    HD1  TRP  27           HD       TRP  27   4.201  -8.381   0.634
  203    HE1  TRP  27           1HE      TRP  27   5.715  -9.600  -1.060
  204    HE3  TRP  27           3HE      TRP  27   2.692 -13.199   1.407
  205    HZ2  TRP  27           2HZ      TRP  27   6.223 -12.268  -1.963
  206    HZ3  TRP  27           3HZ      TRP  27   3.706 -15.057   0.121
  207    HH2  TRP  27           HH       TRP  27   5.467 -14.600  -1.562
  208    H    THR  28           H        THR  28  -1.233 -11.068   1.989
  209    HA   THR  28           HA       THR  28  -1.639  -9.560   4.461
  210    HB   THR  28           HB       THR  28  -2.259  -8.118   2.305
  211    HG1  THR  28           1HG      THR  28  -3.976  -8.353   4.547
  212   HG21  THR  28          3HG2      THR  28  -3.823 -10.038   1.563
  213   HG22  THR  28          1HG2      THR  28  -4.454  -8.393   1.499
  214   HG23  THR  28          2HG2      THR  28  -4.905  -9.459   2.829
  215    H    PHE  29           H        PHE  29  -3.890 -10.128   5.381
  216    HA   PHE  29           HA       PHE  29  -4.416 -12.982   4.728
  217    HB2  PHE  29           2HB      PHE  29  -4.551 -11.330   7.167
  218    HB3  PHE  29           1HB      PHE  29  -5.911 -12.435   6.965
  219    HD1  PHE  29           2HD      PHE  29  -5.091 -14.852   5.953
  220    HD2  PHE  29           1HD      PHE  29  -2.751 -12.179   8.369
  221    HE1  PHE  29           2HE      PHE  29  -3.656 -16.747   6.658
  222    HE2  PHE  29           1HE      PHE  29  -1.316 -14.073   9.074
  223    HZ   PHE  29           HZ       PHE  29  -1.767 -16.358   8.217
  224    H    ASP  30           H        ASP  30  -6.517 -10.339   5.925
  225    HA   ASP  30           HA       ASP  30  -8.912 -11.337   4.840
  226    HB2  ASP  30           2HB      ASP  30  -7.971  -8.555   5.507
  227    HB3  ASP  30           1HB      ASP  30  -9.557  -8.808   4.778
  228    H    ASN  31           H        ASN  31  -7.917  -8.286   3.430
  229    HA   ASN  31           HA       ASN  31  -8.790  -9.107   0.805
  230    HB2  ASN  31           2HB      ASN  31  -7.034  -6.723   1.426
  231    HB3  ASN  31           1HB      ASN  31  -8.187  -6.904   0.103
  232   HD21  ASN  31          1HD2      ASN  31 -10.551  -7.079   0.774
  233   HD22  ASN  31          2HD2      ASN  31 -11.050  -6.278   2.186
  234    H    ILE  32           H        ILE  32  -6.460  -7.676  -0.531
  235    HA   ILE  32           HA       ILE  32  -4.373  -9.786  -0.236
  236    HB   ILE  32           HB       ILE  32  -5.166  -8.769  -2.950
  237   HG12  ILE  32          2HG1      ILE  32  -7.197  -9.699  -1.759
  238   HG13  ILE  32          1HG1      ILE  32  -6.735 -10.588  -3.211
  239   HG21  ILE  32          1HG2      ILE  32  -3.048 -10.014  -2.666
  240   HG22  ILE  32          2HG2      ILE  32  -4.197 -10.924  -3.646
  241   HG23  ILE  32          3HG2      ILE  32  -3.941 -11.360  -1.957
  242   HD11  ILE  32          3HD1      ILE  32  -5.455 -11.495  -0.698
  243   HD12  ILE  32          1HD1      ILE  32  -6.104 -12.442  -2.036
  244   HD13  ILE  32          2HD1      ILE  32  -7.191 -11.782  -0.814
  245    H    ILE  33           H        ILE  33  -4.926  -6.978  -2.380
  246    HA   ILE  33           HA       ILE  33  -2.167  -6.066  -1.817
  247    HB   ILE  33           HB       ILE  33  -3.988  -4.451  -3.529
  248   HG12  ILE  33          2HG1      ILE  33  -4.675  -6.659  -4.176
  249   HG13  ILE  33          1HG1      ILE  33  -3.599  -6.045  -5.432
  250   HG21  ILE  33          1HG2      ILE  33  -1.855  -4.597  -4.970
  251   HG22  ILE  33          2HG2      ILE  33  -1.113  -5.361  -3.564
  252   HG23  ILE  33          3HG2      ILE  33  -1.743  -3.718  -3.446
  253   HD11  ILE  33          3HD1      ILE  33  -2.713  -8.172  -5.088
  254   HD12  ILE  33          1HD1      ILE  33  -3.095  -8.163  -3.367
  255   HD13  ILE  33          2HD1      ILE  33  -1.737  -7.215  -3.974
  256    H    ARG  34           H        ARG  34  -1.719  -4.079  -0.821
  257    HA   ARG  34           HA       ARG  34  -4.048  -2.476   0.043
  258    HB2  ARG  34           2HB      ARG  34  -3.484  -4.194   1.837
  259    HB3  ARG  34           1HB      ARG  34  -1.997  -3.273   2.091
  260    HG2  ARG  34           2HG      ARG  34  -3.154  -1.348   2.765
  261    HG3  ARG  34           1HG      ARG  34  -4.650  -1.869   2.013
  262    HD2  ARG  34           2HD      ARG  34  -5.077  -3.474   3.708
  263    HD3  ARG  34           1HD      ARG  34  -3.422  -3.390   4.311
  264    HE   ARG  34           HE       ARG  34  -4.027  -1.000   5.022
  265   HH11  ARG  34          1HH2      ARG  34  -6.845  -1.726   3.723
  266   HH12  ARG  34          2HH2      ARG  34  -7.786  -1.817   5.174
  267   HH21  ARG  34          1HH1      ARG  34  -5.031  -1.873   7.276
  268   HH22  ARG  34          2HH1      ARG  34  -6.761  -1.900   7.184
  269    H    ARG  35           H        ARG  35  -3.575  -0.574  -0.701
  270    HA   ARG  35           HA       ARG  35  -0.831   0.454  -0.851
  271    HB2  ARG  35           2HB      ARG  35  -3.359   1.983  -1.446
  272    HB3  ARG  35           1HB      ARG  35  -1.752   2.251  -2.103
  273    HG2  ARG  35           2HG      ARG  35  -2.100   0.768  -3.765
  274    HG3  ARG  35           1HG      ARG  35  -2.666  -0.458  -2.633
  275    HD2  ARG  35           2HD      ARG  35  -4.759  -0.130  -3.380
  276    HD3  ARG  35           1HD      ARG  35  -4.690   1.529  -2.786
  277    HE   ARG  35           HE       ARG  35  -4.529   2.198  -5.032
  278   HH11  ARG  35          1HH2      ARG  35  -3.712  -1.121  -4.667
  279   HH12  ARG  35          2HH2      ARG  35  -3.173  -1.311  -6.302
  280   HH21  ARG  35          1HH1      ARG  35  -3.649   2.021  -7.129
  281   HH22  ARG  35          2HH1      ARG  35  -3.135   0.467  -7.694
  282    H    GLY  36           H        GLY  36   0.039   1.783   0.719
  283    HA2  GLY  36           2HA      GLY  36  -1.787   3.275   2.509
  284    HA3  GLY  36           1HA      GLY  36  -0.704   2.117   3.267
  285    H    CYS  37           H        CYS  37   0.159   4.063   4.380
  286    HA   CYS  37           HA       CYS  37   1.994   5.647   2.628
  287    HB2  CYS  37           2HB      CYS  37   1.223   6.441   5.428
  288    HB3  CYS  37           1HB      CYS  37   1.776   7.463   4.102
  289    H    GLY  38           H        GLY  38   3.997   4.804   2.727
  290    HA2  GLY  38           2HA      GLY  38   6.014   4.786   4.282
  291    HA3  GLY  38           1HA      GLY  38   5.017   3.778   5.333
  292    H    CYS  39           H        CYS  39   6.569   2.056   5.074
  293    HA   CYS  39           HA       CYS  39   6.401   0.741   2.389
  294    HB2  CYS  39           2HB      CYS  39   8.592   0.466   4.466
  295    HB3  CYS  39           1HB      CYS  39   8.516  -0.416   2.945
  296    H    PHE  40           H        PHE  40   6.610  -1.698   2.587
  297    HA   PHE  40           HA       PHE  40   4.495  -2.666   4.290
  298    HB2  PHE  40           2HB      PHE  40   5.808  -4.961   3.568
  299    HB3  PHE  40           1HB      PHE  40   4.597  -4.162   2.570
  300    HD1  PHE  40           1HD      PHE  40   8.182  -4.766   3.081
  301    HD2  PHE  40           2HD      PHE  40   5.235  -2.773   0.683
  302    HE1  PHE  40           1HE      PHE  40   9.904  -4.296   1.358
  303    HE2  PHE  40           2HE      PHE  40   6.945  -2.302  -1.048
  304    HZ   PHE  40           HZ       PHE  40   9.291  -3.060  -0.712
  305    H    THR  41           H        THR  41   5.128  -4.835   5.593
  306    HA   THR  41           HA       THR  41   6.979  -3.851   7.657
  307    HB   THR  41           HB       THR  41   5.492  -6.427   7.941
  308    HG1  THR  41           1HG      THR  41   3.775  -5.296   7.439
  309   HG21  THR  41          3HG2      THR  41   5.329  -5.510  10.277
  310   HG22  THR  41          1HG2      THR  41   6.334  -4.160   9.749
  311   HG23  THR  41          2HG2      THR  41   6.978  -5.802   9.721
  312    HA   PRO  42           HA       PRO  42   9.105  -7.947   6.763
  313    HB2  PRO  42           2HB      PRO  42   8.131  -9.572   4.769
  314    HB3  PRO  42           1HB      PRO  42   7.569  -9.636   6.449
  315    HG2  PRO  42           2HG      PRO  42   6.154  -8.618   4.063
  316    HG3  PRO  42           1HG      PRO  42   5.495  -9.064   5.645
  317    HD2  PRO  42           2HD      PRO  42   6.082  -6.425   4.633
  318    HD3  PRO  42           1HD      PRO  42   5.371  -6.841   6.207
  319    H    ARG  43           H        ARG  43   9.480  -5.481   5.373
  320    HA   ARG  43           HA       ARG  43  10.020  -5.688   2.606
  321    HB2  ARG  43           2HB      ARG  43  11.840  -3.984   3.040
  322    HB3  ARG  43           1HB      ARG  43  10.262  -3.551   3.679
  323    HG2  ARG  43           2HG      ARG  43  10.962  -4.499   5.896
  324    HG3  ARG  43           1HG      ARG  43  12.576  -4.732   5.228
  325    HD2  ARG  43           2HD      ARG  43  13.011  -2.625   5.914
  326    HD3  ARG  43           1HD      ARG  43  11.992  -2.099   4.574
  327    HE   ARG  43           HE       ARG  43  10.074  -2.157   6.245
  328   HH11  ARG  43          1HH2      ARG  43  12.113   0.073   6.738
  329   HH12  ARG  43          2HH2      ARG  43  12.312  -0.040   8.455
  330   HH21  ARG  43          1HH1      ARG  43  10.859  -3.181   8.684
  331   HH22  ARG  43          2HH1      ARG  43  11.602  -1.882   9.557
  332    H    GLY  44           H        GLY  44  11.838  -6.416   1.437
  333    HA2  GLY  44           2HA      GLY  44  14.325  -7.136   2.373
  334    HA3  GLY  44           1HA      GLY  44  13.318  -8.542   2.708
  335    H    ASP  45           H        ASP  45  14.994  -9.443   1.077
  336    HA   ASP  45           HA       ASP  45  14.359  -8.745  -1.728
  337    HB2  ASP  45           2HB      ASP  45  16.260 -10.146  -2.312
  338    HB3  ASP  45           1HB      ASP  45  16.732  -9.057  -1.005
  339    H    MET  46           H        MET  46  13.100 -10.815   0.570
  340    HA   MET  46           HA       MET  46  12.692 -13.092  -1.237
  341    HB2  MET  46           2HB      MET  46  10.978 -12.988   1.152
  342    HB3  MET  46           1HB      MET  46  12.046 -14.267   0.588
  343    HG2  MET  46           2HG      MET  46  12.870 -11.775   2.104
  344    HG3  MET  46           1HG      MET  46  12.888 -13.428   2.705
  345    HE1  MET  46           3HE      MET  46  14.738 -14.604   2.969
  346    HE2  MET  46           1HE      MET  46  15.557 -13.091   3.379
  347    HE3  MET  46           2HE      MET  46  16.350 -14.272   2.341
  348    HA   PRO  47           HA       PRO  47   8.293 -11.306  -1.275
  349    HB2  PRO  47           2HB      PRO  47   7.824  -9.004   0.154
  350    HB3  PRO  47           1HB      PRO  47   7.689 -10.624   0.854
  351    HG2  PRO  47           2HG      PRO  47   9.783  -8.570   1.297
  352    HG3  PRO  47           1HG      PRO  47   9.331  -9.946   2.315
  353    HD2  PRO  47           2HD      PRO  47  11.568  -9.772   0.532
  354    HD3  PRO  47           1HD      PRO  47  11.055 -11.190   1.465
  355    H    GLY  48           H        GLY  48   7.244  -9.352  -2.459
  356    HA2  GLY  48           2HA      GLY  48   9.224  -7.409  -3.439
  357    HA3  GLY  48           1HA      GLY  48   8.456  -8.437  -4.639
  358    HA   PRO  49           HA       PRO  49   4.846  -5.831  -3.051
  359    HB2  PRO  49           2HB      PRO  49   5.138  -4.438  -0.702
  360    HB3  PRO  49           1HB      PRO  49   4.555  -6.106  -0.792
  361    HG2  PRO  49           2HG      PRO  49   7.192  -5.115   0.132
  362    HG3  PRO  49           1HG      PRO  49   6.369  -6.621   0.520
  363    HD2  PRO  49           2HD      PRO  49   8.505  -6.294  -1.329
  364    HD3  PRO  49           1HD      PRO  49   7.504  -7.732  -1.090
  365    H    TYR  50           H        TYR  50   4.577  -3.152  -2.233
  366    HA   TYR  50           HA       TYR  50   6.806  -1.806  -3.706
  367    HB2  TYR  50           2HB      TYR  50   3.962  -1.941  -4.360
  368    HB3  TYR  50           1HB      TYR  50   4.574  -0.288  -4.296
  369    HD1  TYR  50           1HD      TYR  50   6.555   0.368  -5.690
  370    HD2  TYR  50           2HD      TYR  50   4.625  -3.450  -6.098
  371    HE1  TYR  50           1HE      TYR  50   7.650   0.049  -7.893
  372    HE2  TYR  50           2HE      TYR  50   5.721  -3.769  -8.299
  373    HH   TYR  50           HH       TYR  50   6.944  -1.473 -10.094
  374    H    CYS  51           H        CYS  51   7.578   0.011  -2.832
  375    HA   CYS  51           HA       CYS  51   5.961   1.604  -0.887
  376    HB2  CYS  51           2HB      CYS  51   7.544   0.087   0.419
  377    HB3  CYS  51           1HB      CYS  51   8.864   0.919  -0.400
  378    H    CYS  52           H        CYS  52   6.424   3.789  -1.141
  379    HA   CYS  52           HA       CYS  52   8.810   4.674  -2.600
  380    HB2  CYS  52           2HB      CYS  52   6.654   5.806  -4.129
  381    HB3  CYS  52           1HB      CYS  52   8.033   4.872  -4.693
  382    H    GLU  53           H        GLU  53   9.239   6.843  -2.298
  383    HA   GLU  53           HA       GLU  53   7.574   8.198  -0.313
  384    HB2  GLU  53           2HB      GLU  53   9.914   9.533  -1.588
  385    HB3  GLU  53           1HB      GLU  53   9.363   9.577   0.087
  386    HG2  GLU  53           2HG      GLU  53  10.918   8.025   0.561
  387    HG3  GLU  53           1HG      GLU  53   9.976   6.882  -0.394
  388    H    SER  54           H        SER  54   7.271   7.970  -3.565
  389    HA   SER  54           HA       SER  54   6.727  10.811  -4.096
  390    HB2  SER  54           2HB      SER  54   5.577   9.072  -6.068
  391    HB3  SER  54           1HB      SER  54   6.955  10.155  -6.235
  392    HG   SER  54           HG       SER  54   6.947   7.511  -6.147
  393    H    ASP  55           H        ASP  55   4.583  11.666  -4.422
  394    HA   ASP  55           HA       ASP  55   2.592  10.499  -2.689
  395    HB2  ASP  55           2HB      ASP  55   2.045  12.558  -4.830
  396    HB3  ASP  55           1HB      ASP  55   1.166  12.297  -3.330
  397    H    LYS  56           H        LYS  56   0.614   9.549  -3.273
  398    HA   LYS  56           HA       LYS  56  -0.692   8.019  -4.490
  399    HB2  LYS  56           2HB      LYS  56   0.180   9.531  -6.949
  400    HB3  LYS  56           1HB      LYS  56  -1.374   8.763  -6.630
  401    HG2  LYS  56           2HG      LYS  56  -1.486  10.453  -4.623
  402    HG3  LYS  56           1HG      LYS  56  -0.290  11.351  -5.560
  403    HD2  LYS  56           2HD      LYS  56  -2.329  10.513  -7.365
  404    HD3  LYS  56           1HD      LYS  56  -3.125  11.226  -5.961
  405    HE2  LYS  56           2HE      LYS  56  -0.796  12.570  -7.342
  406    HE3  LYS  56           1HE      LYS  56  -2.467  12.852  -7.830
  407    HZ1  LYS  56           3HZ      LYS  56  -2.453  14.406  -6.251
  408    HZ2  LYS  56           1HZ      LYS  56  -1.045  13.803  -5.521
  409    HZ3  LYS  56           2HZ      LYS  56  -2.557  13.125  -5.140
  410    H    CYS  57           H        CYS  57   2.287   7.485  -4.204
  411    HA   CYS  57           HA       CYS  57   3.260   6.340  -6.628
  412    HB2  CYS  57           2HB      CYS  57   5.086   5.969  -5.358
  413    HB3  CYS  57           1HB      CYS  57   4.195   6.609  -3.986
  414    H    ASN  58           H        ASN  58   1.083   5.044  -4.160
  415    HA   ASN  58           HA       ASN  58   1.192   2.407  -5.399
  416    HB2  ASN  58           2HB      ASN  58  -0.801   2.086  -3.669
  417    HB3  ASN  58           1HB      ASN  58   0.883   2.036  -3.160
  418   HD21  ASN  58          1HD2      ASN  58   0.066   2.765  -0.977
  419   HD22  ASN  58          2HD2      ASN  58  -0.332   4.400  -0.739
  420    H    LEU  59           H        LEU  59   0.125   4.649  -7.014
  421    HA   LEU  59           HA       LEU  59  -2.630   3.560  -7.419
  422    HB2  LEU  59           2HB      LEU  59  -2.563   5.973  -6.749
  423    HB3  LEU  59           1HB      LEU  59  -1.628   6.313  -8.206
  424    HG   LEU  59           HG       LEU  59  -4.148   6.688  -8.394
  425   HD11  LEU  59          1HD1      LEU  59  -2.297   5.806 -10.234
  426   HD12  LEU  59          2HD1      LEU  59  -3.926   6.363 -10.618
  427   HD13  LEU  59          3HD1      LEU  59  -3.606   4.639 -10.422
  428   HD21  LEU  59          3HD2      LEU  59  -5.622   4.888  -8.348
  429   HD22  LEU  59          1HD2      LEU  59  -4.465   4.397  -7.112
  430   HD23  LEU  59          2HD2      LEU  59  -4.361   3.717  -8.735
  Start of MODEL   13
    1    H1   ARG   1           1HT      ARG   1   1.962  10.855   4.511
    2    H2   ARG   1           2HT      ARG   1   3.427  11.390   3.840
    3    H3   ARG   1           3HT      ARG   1   2.565  10.122   3.107
    4    HA   ARG   1           HA       ARG   1   1.562  12.901   3.379
    5    HB2  ARG   1           2HB      ARG   1   2.335  13.352   1.225
    6    HB3  ARG   1           1HB      ARG   1   3.627  12.343   1.858
    7    HG2  ARG   1           2HG      ARG   1   1.675  10.595   0.728
    8    HG3  ARG   1           1HG      ARG   1   1.985  11.868  -0.439
    9    HD2  ARG   1           2HD      ARG   1   4.218  10.417   0.946
   10    HD3  ARG   1           1HD      ARG   1   3.486   9.789  -0.515
   11    HE   ARG   1           HE       ARG   1   5.051  11.234  -1.519
   12   HH11  ARG   1          1HH1      ARG   1   5.341  12.648   1.326
   13   HH12  ARG   1          2HH1      ARG   1   5.109  14.285   0.817
   14   HH21  ARG   1          1HH2      ARG   1   3.970  13.429  -2.334
   15   HH22  ARG   1          2HH2      ARG   1   4.325  14.727  -1.244
   16    H    ILE   2           H        ILE   2   0.345  12.433   0.655
   17    HA   ILE   2           HA       ILE   2  -2.020  10.949   1.637
   18    HB   ILE   2           HB       ILE   2  -1.516  12.468  -0.933
   19   HG12  ILE   2          2HG1      ILE   2  -3.663  13.550   0.457
   20   HG13  ILE   2          1HG1      ILE   2  -2.530  13.085   1.727
   21   HG21  ILE   2          1HG2      ILE   2  -3.954  12.104  -1.338
   22   HG22  ILE   2          2HG2      ILE   2  -4.008  11.044   0.071
   23   HG23  ILE   2          3HG2      ILE   2  -3.051  10.590  -1.338
   24   HD11  ILE   2          3HD1      ILE   2  -0.886  14.234  -0.187
   25   HD12  ILE   2          1HD1      ILE   2  -1.458  15.032   1.278
   26   HD13  ILE   2          2HD1      ILE   2  -2.328  15.247  -0.240
   27    H    CYS   3           H        CYS   3  -1.839   8.741   1.434
   28    HA   CYS   3           HA       CYS   3  -0.924   7.826  -1.244
   29    HB2  CYS   3           2HB      CYS   3  -0.593   6.262   1.331
   30    HB3  CYS   3           1HB      CYS   3   0.010   5.803  -0.259
   31    H    TYR   4           H        TYR   4  -1.844   5.371  -1.551
   32    HA   TYR   4           HA       TYR   4  -4.747   5.739  -1.202
   33    HB2  TYR   4           2HB      TYR   4  -3.056   3.687  -2.637
   34    HB3  TYR   4           1HB      TYR   4  -4.786   3.446  -2.400
   35    HD1  TYR   4           1HD      TYR   4  -6.342   5.430  -3.076
   36    HD2  TYR   4           2HD      TYR   4  -2.312   4.946  -4.479
   37    HE1  TYR   4           1HE      TYR   4  -6.831   6.919  -4.997
   38    HE2  TYR   4           2HE      TYR   4  -2.800   6.437  -6.398
   39    HH   TYR   4           HH       TYR   4  -4.824   7.169  -7.690
   40    H    ASN   5           H        ASN   5  -6.043   4.405   0.147
   41    HA   ASN   5           HA       ASN   5  -4.455   2.810   2.101
   42    HB2  ASN   5           2HB      ASN   5  -5.471   4.722   3.143
   43    HB3  ASN   5           1HB      ASN   5  -7.046   4.313   2.466
   44   HD21  ASN   5          1HD2      ASN   5  -7.763   1.921   3.122
   45   HD22  ASN   5          2HD2      ASN   5  -7.480   1.499   4.727
   46    H    HIS   6           H        HIS   6  -7.257   2.615  -0.064
   47    HA   HIS   6           HA       HIS   6  -8.442   0.394   1.244
   48    HB2  HIS   6           2HB      HIS   6  -9.237   1.821  -0.878
   49    HB3  HIS   6           1HB      HIS   6  -8.702   0.352  -1.678
   50    HD1  HIS   6           1HD      HIS   6 -10.848   1.254   1.350
   51    HD2  HIS   6           2HD      HIS   6 -10.607  -1.606  -1.677
   52    HE1  HIS   6           1HE      HIS   6 -12.841  -0.279   1.654
   53    H    LEU   7           H        LEU   7  -8.699  -1.764  -0.106
   54    HA   LEU   7           HA       LEU   7  -5.929  -2.821  -0.296
   55    HB2  LEU   7           2HB      LEU   7  -8.569  -4.169   0.282
   56    HB3  LEU   7           1HB      LEU   7  -7.051  -5.042   0.071
   57    HG   LEU   7           HG       LEU   7  -6.131  -3.403   1.867
   58   HD11  LEU   7          1HD1      LEU   7  -8.505  -3.209   3.357
   59   HD12  LEU   7          2HD1      LEU   7  -8.934  -2.668   1.733
   60   HD13  LEU   7          3HD1      LEU   7  -7.620  -1.880   2.607
   61   HD21  LEU   7          3HD2      LEU   7  -6.499  -5.842   2.186
   62   HD22  LEU   7          1HD2      LEU   7  -8.174  -5.513   2.629
   63   HD23  LEU   7          2HD2      LEU   7  -6.861  -4.927   3.649
   64    H    GLY   8           H        GLY   8  -5.786  -4.819  -1.712
   65    HA2  GLY   8           2HA      GLY   8  -5.741  -5.733  -3.856
   66    HA3  GLY   8           1HA      GLY   8  -7.440  -5.281  -3.953
   67    H    THR   9           H        THR   9  -6.490  -5.027  -6.292
   68    HA   THR   9           HA       THR   9  -5.061  -2.494  -6.726
   69    HB   THR   9           HB       THR   9  -4.572  -4.481  -8.132
   70    HG1  THR   9           1HG      THR   9  -4.207  -2.515  -9.084
   71   HG21  THR   9          3HG2      THR   9  -6.393  -4.946  -9.917
   72   HG22  THR   9          1HG2      THR   9  -7.496  -4.168  -8.782
   73   HG23  THR   9          2HG2      THR   9  -6.622  -5.624  -8.305
   74    H    LYS  10           H        LYS  10  -8.309  -3.471  -6.371
   75    HA   LYS  10           HA       LYS  10  -9.723  -1.906  -8.224
   76    HB2  LYS  10           2HB      LYS  10 -10.270  -3.159  -5.690
   77    HB3  LYS  10           1HB      LYS  10 -10.991  -1.548  -5.701
   78    HG2  LYS  10           2HG      LYS  10 -11.731  -2.310  -8.154
   79    HG3  LYS  10           1HG      LYS  10 -11.604  -3.909  -7.419
   80    HD2  LYS  10           2HD      LYS  10 -12.923  -2.210  -5.549
   81    HD3  LYS  10           1HD      LYS  10 -13.702  -1.984  -7.115
   82    HE2  LYS  10           2HE      LYS  10 -13.070  -4.761  -6.162
   83    HE3  LYS  10           1HE      LYS  10 -14.502  -3.933  -5.550
   84    HZ1  LYS  10           3HZ      LYS  10 -14.548  -5.349  -7.756
   85    HZ2  LYS  10           1HZ      LYS  10 -14.038  -3.881  -8.433
   86    HZ3  LYS  10           2HZ      LYS  10 -15.499  -3.953  -7.568
   87    HA   PRO  11           HA       PRO  11  -9.028   2.292  -7.061
   88    HB2  PRO  11           2HB      PRO  11 -11.561   3.364  -6.944
   89    HB3  PRO  11           1HB      PRO  11 -10.750   2.941  -8.462
   90    HG2  PRO  11           2HG      PRO  11 -12.959   1.514  -7.055
   91    HG3  PRO  11           1HG      PRO  11 -12.559   1.538  -8.780
   92    HD2  PRO  11           2HD      PRO  11 -11.962  -0.552  -6.973
   93    HD3  PRO  11           1HD      PRO  11 -11.273  -0.355  -8.599
   94    HA   PRO  12           HA       PRO  12  -9.772   1.861  -2.629
   95    HB2  PRO  12           2HB      PRO  12  -7.330   2.878  -1.891
   96    HB3  PRO  12           1HB      PRO  12  -7.539   1.208  -2.421
   97    HG2  PRO  12           2HG      PRO  12  -6.268   3.431  -3.823
   98    HG3  PRO  12           1HG      PRO  12  -6.089   1.699  -4.093
   99    HD2  PRO  12           2HD      PRO  12  -7.682   3.536  -5.636
  100    HD3  PRO  12           1HD      PRO  12  -7.546   1.781  -5.849
  101    H    THR  13           H        THR  13  -9.163   3.645  -0.772
  102    HA   THR  13           HA       THR  13 -10.062   6.273  -1.885
  103    HB   THR  13           HB       THR  13 -11.028   6.752   0.258
  104    HG1  THR  13           1HG      THR  13  -9.707   4.389   1.094
  105   HG21  THR  13          3HG2      THR  13 -12.066   4.150   0.533
  106   HG22  THR  13          1HG2      THR  13 -11.683   4.332  -1.179
  107   HG23  THR  13          2HG2      THR  13 -12.764   5.481  -0.391
  108    H    THR  14           H        THR  14  -8.359   7.663  -2.049
  109    HA   THR  14           HA       THR  14  -5.794   7.259  -1.087
  110    HB   THR  14           HB       THR  14  -5.622   9.833  -1.030
  111    HG1  THR  14           1HG      THR  14  -7.375  10.904  -1.839
  112   HG21  THR  14          3HG2      THR  14  -5.587   7.951  -3.064
  113   HG22  THR  14          1HG2      THR  14  -5.014   9.615  -3.183
  114   HG23  THR  14          2HG2      THR  14  -6.656   9.209  -3.685
  115    H    GLU  15           H        GLU  15  -4.644   8.282   0.690
  116    HA   GLU  15           HA       GLU  15  -6.223   9.112   3.029
  117    HB2  GLU  15           2HB      GLU  15  -5.844   6.452   2.782
  118    HB3  GLU  15           1HB      GLU  15  -4.323   6.878   3.565
  119    HG2  GLU  15           2HG      GLU  15  -6.194   6.270   5.156
  120    HG3  GLU  15           1HG      GLU  15  -5.482   7.861   5.439
  121    H    THR  16           H        THR  16  -4.809  10.072   4.672
  122    HA   THR  16           HA       THR  16  -2.181  10.815   3.479
  123    HB   THR  16           HB       THR  16  -3.160  12.389   5.775
  124    HG1  THR  16           1HG      THR  16  -4.584  13.457   4.060
  125   HG21  THR  16          3HG2      THR  16  -1.511  12.673   3.446
  126   HG22  THR  16          1HG2      THR  16  -1.696  13.784   4.803
  127   HG23  THR  16          2HG2      THR  16  -2.768  13.910   3.409
  128    H    CYS  17           H        CYS  17  -0.312  10.552   4.640
  129    HA   CYS  17           HA       CYS  17  -0.500   9.604   7.450
  130    HB2  CYS  17           2HB      CYS  17   1.319   8.228   5.472
  131    HB3  CYS  17           1HB      CYS  17   0.829   7.682   7.077
  132    H    GLN  18           H        GLN  18   2.203   9.193   7.917
  133    HA   GLN  18           HA       GLN  18   3.203  11.955   7.549
  134    HB2  GLN  18           2HB      GLN  18   3.241  10.932   9.806
  135    HB3  GLN  18           1HB      GLN  18   4.369   9.720   9.210
  136    HG2  GLN  18           2HG      GLN  18   5.489  11.694  10.319
  137    HG3  GLN  18           1HG      GLN  18   6.012  11.395   8.667
  138   HE21  GLN  18          1HE2      GLN  18   5.067  12.811   6.944
  139   HE22  GLN  18          2HE2      GLN  18   4.465  14.345   7.339
  140    H    GLU  19           H        GLU  19   4.246   8.625   6.967
  141    HA   GLU  19           HA       GLU  19   6.817   9.350   5.945
  142    HB2  GLU  19           2HB      GLU  19   5.507   6.956   4.770
  143    HB3  GLU  19           1HB      GLU  19   7.122   7.133   5.448
  144    HG2  GLU  19           2HG      GLU  19   5.703   7.507   7.696
  145    HG3  GLU  19           1HG      GLU  19   4.555   6.492   6.821
  146    H    ASP  20           H        ASP  20   7.471   9.970   3.929
  147    HA   ASP  20           HA       ASP  20   5.430  10.948   2.098
  148    HB2  ASP  20           2HB      ASP  20   7.945  10.846   0.748
  149    HB3  ASP  20           1HB      ASP  20   7.099  12.262   1.351
  150    H    SER  21           H        SER  21   7.010   7.984   2.584
  151    HA   SER  21           HA       SER  21   6.821   7.117  -0.202
  152    HB2  SER  21           2HB      SER  21   7.198   5.195   2.057
  153    HB3  SER  21           1HB      SER  21   7.949   5.206   0.465
  154    HG   SER  21           HG       SER  21   9.334   5.857   2.244
  155    H    CYS  22           H        CYS  22   5.291   5.554  -0.971
  156    HA   CYS  22           HA       CYS  22   2.969   5.094   0.841
  157    HB2  CYS  22           2HB      CYS  22   2.917   5.327  -2.184
  158    HB3  CYS  22           1HB      CYS  22   1.527   5.107  -1.123
  159    H    TYR  23           H        TYR  23   2.761   2.924   1.267
  160    HA   TYR  23           HA       TYR  23   4.171   1.141  -0.644
  161    HB2  TYR  23           2HB      TYR  23   4.937  -0.211   1.052
  162    HB3  TYR  23           1HB      TYR  23   5.023   1.379   1.788
  163    HD1  TYR  23           1HD      TYR  23   2.356   1.979   2.728
  164    HD2  TYR  23           2HD      TYR  23   4.378  -1.809   2.608
  165    HE1  TYR  23           1HE      TYR  23   0.975   1.179   4.623
  166    HE2  TYR  23           2HE      TYR  23   2.984  -2.610   4.494
  167    HH   TYR  23           HH       TYR  23   1.516  -0.895   6.546
  168    H    LYS  24           H        LYS  24   3.157  -0.299  -1.621
  169    HA   LYS  24           HA       LYS  24   0.439  -1.105  -0.693
  170    HB2  LYS  24           2HB      LYS  24  -0.363  -0.218  -2.595
  171    HB3  LYS  24           1HB      LYS  24   1.260   0.210  -3.106
  172    HG2  LYS  24           2HG      LYS  24   0.821  -2.618  -3.536
  173    HG3  LYS  24           1HG      LYS  24  -0.459  -1.665  -4.272
  174    HD2  LYS  24           2HD      LYS  24   2.250  -0.559  -4.617
  175    HD3  LYS  24           1HD      LYS  24   1.957  -2.088  -5.448
  176    HE2  LYS  24           2HE      LYS  24  -0.345  -0.456  -5.832
  177    HE3  LYS  24           1HE      LYS  24   1.071   0.535  -6.185
  178    HZ1  LYS  24           3HZ      LYS  24   1.726  -1.764  -7.375
  179    HZ2  LYS  24           1HZ      LYS  24   0.955  -0.477  -8.165
  180    HZ3  LYS  24           2HZ      LYS  24   0.039  -1.781  -7.579
  181    H    ASN  25           H        ASN  25   0.637  -3.117   0.013
  182    HA   ASN  25           HA       ASN  25   2.510  -4.958  -1.414
  183    HB2  ASN  25           2HB      ASN  25   2.370  -6.048   1.052
  184    HB3  ASN  25           1HB      ASN  25   3.548  -4.810   0.628
  185   HD21  ASN  25          1HD2      ASN  25   2.530  -2.441   0.848
  186   HD22  ASN  25          2HD2      ASN  25   1.642  -2.168   2.264
  187    H    ILE  26           H        ILE  26   1.937  -7.228  -1.342
  188    HA   ILE  26           HA       ILE  26  -0.978  -7.629  -1.575
  189    HB   ILE  26           HB       ILE  26  -0.477  -9.550  -2.825
  190   HG12  ILE  26          2HG1      ILE  26   0.973 -10.576  -1.041
  191   HG13  ILE  26          1HG1      ILE  26   1.580 -10.823  -2.677
  192   HG21  ILE  26          1HG2      ILE  26   0.917  -7.194  -3.389
  193   HG22  ILE  26          2HG2      ILE  26   0.601  -8.518  -4.510
  194   HG23  ILE  26          3HG2      ILE  26   2.109  -8.476  -3.597
  195   HD11  ILE  26          3HD1      ILE  26   3.011  -8.743  -2.328
  196   HD12  ILE  26          1HD1      ILE  26   3.466 -10.150  -1.367
  197   HD13  ILE  26          2HD1      ILE  26   2.562  -8.830  -0.625
  198    H    TRP  27           H        TRP  27   1.453  -8.015   0.753
  199    HA   TRP  27           HA       TRP  27   0.450 -10.402   2.058
  200    HB2  TRP  27           2HB      TRP  27   2.086  -8.157   3.261
  201    HB3  TRP  27           1HB      TRP  27   1.961  -9.814   3.856
  202    HD1  TRP  27           HD       TRP  27   3.722  -7.684   1.289
  203    HE1  TRP  27           1HE      TRP  27   5.438  -9.122   0.009
  204    HE3  TRP  27           3HE      TRP  27   2.433 -12.321   2.993
  205    HZ2  TRP  27           2HZ      TRP  27   6.172 -11.873  -0.250
  206    HZ3  TRP  27           3HZ      TRP  27   3.656 -14.330   2.217
  207    HH2  TRP  27           HH       TRP  27   5.523 -14.113   0.599
  208    H    THR  28           H        THR  28  -1.595 -10.396   2.877
  209    HA   THR  28           HA       THR  28  -2.265  -8.426   4.930
  210    HB   THR  28           HB       THR  28  -2.883  -7.452   2.601
  211    HG1  THR  28           1HG      THR  28  -3.661  -6.567   4.497
  212   HG21  THR  28          3HG2      THR  28  -5.262  -9.279   2.978
  213   HG22  THR  28          1HG2      THR  28  -3.935  -9.654   1.878
  214   HG23  THR  28          2HG2      THR  28  -4.920  -8.214   1.615
  215    H    PHE  29           H        PHE  29  -4.597  -8.959   5.767
  216    HA   PHE  29           HA       PHE  29  -4.861 -11.935   5.738
  217    HB2  PHE  29           2HB      PHE  29  -4.651 -10.116   7.878
  218    HB3  PHE  29           1HB      PHE  29  -6.337 -10.636   7.861
  219    HD1  PHE  29           2HD      PHE  29  -2.831 -11.741   8.185
  220    HD2  PHE  29           1HD      PHE  29  -6.951 -12.959   8.236
  221    HE1  PHE  29           2HE      PHE  29  -2.174 -13.920   9.170
  222    HE2  PHE  29           1HE      PHE  29  -6.294 -15.140   9.218
  223    HZ   PHE  29           HZ       PHE  29  -3.905 -15.619   9.686
  224    H    ASP  30           H        ASP  30  -6.916  -9.014   6.113
  225    HA   ASP  30           HA       ASP  30  -9.357 -10.382   5.516
  226    HB2  ASP  30           2HB      ASP  30  -8.585  -7.748   6.195
  227    HB3  ASP  30           1HB      ASP  30  -9.450  -7.625   4.662
  228    H    ASN  31           H        ASN  31  -8.060  -7.828   3.407
  229    HA   ASN  31           HA       ASN  31  -9.098  -9.281   1.068
  230    HB2  ASN  31           2HB      ASN  31  -9.140  -6.694   1.547
  231    HB3  ASN  31           1HB      ASN  31  -7.504  -6.742   0.892
  232   HD21  ASN  31          1HD2      ASN  31  -7.498  -6.303  -1.310
  233   HD22  ASN  31          2HD2      ASN  31  -8.714  -6.761  -2.403
  234    H    ILE  32           H        ILE  32  -6.718  -7.857  -0.444
  235    HA   ILE  32           HA       ILE  32  -4.669  -9.934   0.188
  236    HB   ILE  32           HB       ILE  32  -5.214  -9.032  -2.634
  237   HG12  ILE  32          2HG1      ILE  32  -7.348  -9.892  -1.810
  238   HG13  ILE  32          1HG1      ILE  32  -6.614 -11.089  -2.878
  239   HG21  ILE  32          1HG2      ILE  32  -3.273 -10.253  -2.709
  240   HG22  ILE  32          2HG2      ILE  32  -4.405 -11.605  -2.745
  241   HG23  ILE  32          3HG2      ILE  32  -3.647 -11.131  -1.226
  242   HD11  ILE  32          3HD1      ILE  32  -5.723 -11.435  -0.128
  243   HD12  ILE  32          1HD1      ILE  32  -6.471 -12.605  -1.214
  244   HD13  ILE  32          2HD1      ILE  32  -7.480 -11.524  -0.253
  245    H    ILE  33           H        ILE  33  -4.998  -7.157  -2.058
  246    HA   ILE  33           HA       ILE  33  -2.274  -6.301  -1.288
  247    HB   ILE  33           HB       ILE  33  -4.031  -4.883  -3.269
  248   HG12  ILE  33          2HG1      ILE  33  -4.089  -7.343  -3.720
  249   HG13  ILE  33          1HG1      ILE  33  -3.307  -6.420  -5.003
  250   HG21  ILE  33          1HG2      ILE  33  -1.754  -4.582  -4.354
  251   HG22  ILE  33          2HG2      ILE  33  -1.057  -5.303  -2.902
  252   HG23  ILE  33          3HG2      ILE  33  -1.952  -3.787  -2.792
  253   HD11  ILE  33          3HD1      ILE  33  -1.610  -7.912  -4.762
  254   HD12  ILE  33          1HD1      ILE  33  -2.167  -8.424  -3.169
  255   HD13  ILE  33          2HD1      ILE  33  -1.191  -6.964  -3.335
  256    H    ARG  34           H        ARG  34  -1.856  -4.149  -0.492
  257    HA   ARG  34           HA       ARG  34  -4.229  -2.567   0.217
  258    HB2  ARG  34           2HB      ARG  34  -3.579  -4.205   2.144
  259    HB3  ARG  34           1HB      ARG  34  -2.288  -3.032   2.439
  260    HG2  ARG  34           2HG      ARG  34  -3.758  -1.364   3.037
  261    HG3  ARG  34           1HG      ARG  34  -4.988  -1.924   1.934
  262    HD2  ARG  34           2HD      ARG  34  -6.035  -2.742   3.775
  263    HD3  ARG  34           1HD      ARG  34  -4.813  -4.014   3.737
  264    HE   ARG  34           HE       ARG  34  -4.183  -3.105   5.816
  265   HH11  ARG  34          1HH1      ARG  34  -5.874  -0.664   4.232
  266   HH12  ARG  34          2HH1      ARG  34  -4.996   0.646   4.947
  267   HH21  ARG  34          1HH2      ARG  34  -2.641  -1.405   6.455
  268   HH22  ARG  34          2HH2      ARG  34  -3.166   0.228   6.206
  269    H    ARG  35           H        ARG  35  -3.852  -0.547  -0.272
  270    HA   ARG  35           HA       ARG  35  -1.110   0.402  -0.708
  271    HB2  ARG  35           2HB      ARG  35  -3.836   1.621  -1.089
  272    HB3  ARG  35           1HB      ARG  35  -2.369   2.557  -1.296
  273    HG2  ARG  35           2HG      ARG  35  -1.773   1.449  -3.206
  274    HG3  ARG  35           1HG      ARG  35  -2.486  -0.073  -2.677
  275    HD2  ARG  35           2HD      ARG  35  -4.649   1.682  -2.907
  276    HD3  ARG  35           1HD      ARG  35  -3.647   2.024  -4.317
  277    HE   ARG  35           HE       ARG  35  -5.102  -0.464  -3.797
  278   HH11  ARG  35          1HH2      ARG  35  -2.051  -0.761  -4.444
  279   HH12  ARG  35          2HH2      ARG  35  -2.147  -1.106  -6.139
  280   HH21  ARG  35          1HH1      ARG  35  -5.449  -0.091  -6.420
  281   HH22  ARG  35          2HH1      ARG  35  -4.072  -0.723  -7.259
  282    H    GLY  36           H        GLY  36   0.014   1.552   0.793
  283    HA2  GLY  36           2HA      GLY  36  -1.477   2.922   2.964
  284    HA3  GLY  36           1HA      GLY  36  -0.254   1.742   3.415
  285    H    CYS  37           H        CYS  37   0.825   3.578   4.485
  286    HA   CYS  37           HA       CYS  37   2.475   5.152   2.560
  287    HB2  CYS  37           2HB      CYS  37   1.772   6.307   5.234
  288    HB3  CYS  37           1HB      CYS  37   2.180   7.138   3.733
  289    H    GLY  38           H        GLY  38   4.590   4.557   2.843
  290    HA2  GLY  38           2HA      GLY  38   6.532   4.433   4.374
  291    HA3  GLY  38           1HA      GLY  38   5.432   3.853   5.637
  292    H    CYS  39           H        CYS  39   7.819   2.510   4.247
  293    HA   CYS  39           HA       CYS  39   6.789   0.535   2.499
  294    HB2  CYS  39           2HB      CYS  39   9.278   0.707   4.134
  295    HB3  CYS  39           1HB      CYS  39   8.868  -0.812   3.343
  296    H    PHE  40           H        PHE  40   6.905  -1.795   2.925
  297    HA   PHE  40           HA       PHE  40   4.892  -2.539   4.840
  298    HB2  PHE  40           2HB      PHE  40   6.148  -4.926   4.123
  299    HB3  PHE  40           1HB      PHE  40   4.785  -4.193   3.278
  300    HD1  PHE  40           1HD      PHE  40   8.441  -4.629   3.310
  301    HD2  PHE  40           2HD      PHE  40   5.094  -2.939   1.223
  302    HE1  PHE  40           1HE      PHE  40   9.908  -4.132   1.368
  303    HE2  PHE  40           2HE      PHE  40   6.552  -2.450  -0.725
  304    HZ   PHE  40           HZ       PHE  40   8.964  -3.039  -0.652
  305    H    THR  41           H        THR  41   5.597  -4.761   6.123
  306    HA   THR  41           HA       THR  41   7.450  -3.733   8.139
  307    HB   THR  41           HB       THR  41   5.348  -5.793   8.054
  308    HG1  THR  41           1HG      THR  41   4.907  -4.062   9.235
  309   HG21  THR  41          3HG2      THR  41   7.243  -7.263   8.580
  310   HG22  THR  41          1HG2      THR  41   6.261  -7.010  10.023
  311   HG23  THR  41          2HG2      THR  41   7.783  -6.142   9.830
  312    HA   PRO  42           HA       PRO  42  10.039  -7.500   7.043
  313    HB2  PRO  42           2HB      PRO  42   9.071  -9.385   5.297
  314    HB3  PRO  42           1HB      PRO  42   8.746  -9.410   7.040
  315    HG2  PRO  42           2HG      PRO  42   6.906  -8.742   4.816
  316    HG3  PRO  42           1HG      PRO  42   6.526  -9.239   6.472
  317    HD2  PRO  42           2HD      PRO  42   6.474  -6.581   5.394
  318    HD3  PRO  42           1HD      PRO  42   6.167  -7.064   7.071
  319    H    ARG  43           H        ARG  43  10.045  -5.133   5.518
  320    HA   ARG  43           HA       ARG  43  10.083  -5.418   2.712
  321    HB2  ARG  43           2HB      ARG  43  12.072  -3.668   2.951
  322    HB3  ARG  43           1HB      ARG  43  10.414  -3.212   3.324
  323    HG2  ARG  43           2HG      ARG  43  11.793  -4.446   5.594
  324    HG3  ARG  43           1HG      ARG  43  12.568  -2.962   5.042
  325    HD2  ARG  43           2HD      ARG  43  10.070  -2.071   4.986
  326    HD3  ARG  43           1HD      ARG  43   9.821  -3.360   6.164
  327    HE   ARG  43           HE       ARG  43  12.082  -1.994   7.064
  328   HH11  ARG  43          1HH1      ARG  43   8.846  -2.061   7.639
  329   HH12  ARG  43          2HH1      ARG  43   8.694  -0.420   8.176
  330   HH21  ARG  43          1HH2      ARG  43  11.886   0.485   7.170
  331   HH22  ARG  43          2HH2      ARG  43  10.415   1.020   7.911
  332    H    GLY  44           H        GLY  44  11.730  -6.014   1.239
  333    HA2  GLY  44           2HA      GLY  44  14.369  -6.590   1.620
  334    HA3  GLY  44           1HA      GLY  44  13.568  -8.017   2.271
  335    H    ASP  45           H        ASP  45  14.889  -8.941   0.349
  336    HA   ASP  45           HA       ASP  45  13.571  -8.503  -2.264
  337    HB2  ASP  45           2HB      ASP  45  16.197  -9.181  -1.453
  338    HB3  ASP  45           1HB      ASP  45  15.559 -10.586  -2.311
  339    H    MET  46           H        MET  46  13.220 -10.565   0.407
  340    HA   MET  46           HA       MET  46  12.573 -13.000  -0.996
  341    HB2  MET  46           2HB      MET  46  12.776 -12.213   1.700
  342    HB3  MET  46           1HB      MET  46  11.110 -12.750   1.481
  343    HG2  MET  46           2HG      MET  46  13.548 -14.333   0.616
  344    HG3  MET  46           1HG      MET  46  12.648 -14.617   2.105
  345    HE1  MET  46           3HE      MET  46  12.067 -16.709  -1.624
  346    HE2  MET  46           1HE      MET  46  13.437 -16.249  -0.602
  347    HE3  MET  46           2HE      MET  46  12.779 -15.104  -1.769
  348    HA   PRO  47           HA       PRO  47   8.082 -11.465  -0.740
  349    HB2  PRO  47           2HB      PRO  47   7.612  -9.030   0.440
  350    HB3  PRO  47           1HB      PRO  47   7.678 -10.546   1.347
  351    HG2  PRO  47           2HG      PRO  47   9.670  -8.342   1.250
  352    HG3  PRO  47           1HG      PRO  47   9.408  -9.563   2.506
  353    HD2  PRO  47           2HD      PRO  47  11.449  -9.575   0.511
  354    HD3  PRO  47           1HD      PRO  47  11.067 -10.881   1.649
  355    H    GLY  48           H        GLY  48   6.777  -9.702  -2.018
  356    HA2  GLY  48           2HA      GLY  48   8.595  -7.928  -3.530
  357    HA3  GLY  48           1HA      GLY  48   7.564  -9.035  -4.423
  358    HA   PRO  49           HA       PRO  49   4.433  -6.015  -2.596
  359    HB2  PRO  49           2HB      PRO  49   5.150  -4.464  -0.443
  360    HB3  PRO  49           1HB      PRO  49   4.474  -6.096  -0.300
  361    HG2  PRO  49           2HG      PRO  49   7.255  -5.203   0.168
  362    HG3  PRO  49           1HG      PRO  49   6.434  -6.643   0.758
  363    HD2  PRO  49           2HD      PRO  49   8.287  -6.489  -1.413
  364    HD3  PRO  49           1HD      PRO  49   7.337  -7.882  -0.889
  365    H    TYR  50           H        TYR  50   4.489  -3.251  -1.945
  366    HA   TYR  50           HA       TYR  50   6.546  -2.208  -3.846
  367    HB2  TYR  50           2HB      TYR  50   3.688  -2.224  -4.171
  368    HB3  TYR  50           1HB      TYR  50   4.270  -0.560  -4.095
  369    HD1  TYR  50           2HD      TYR  50   5.142  -3.858  -5.655
  370    HD2  TYR  50           1HD      TYR  50   5.155   0.422  -6.023
  371    HE1  TYR  50           2HE      TYR  50   6.043  -4.059  -7.957
  372    HE2  TYR  50           1HE      TYR  50   6.056   0.222  -8.325
  373    HH   TYR  50           HH       TYR  50   7.471  -1.617  -9.587
  374    H    CYS  51           H        CYS  51   7.172  -0.057  -3.581
  375    HA   CYS  51           HA       CYS  51   6.315   1.466  -1.150
  376    HB2  CYS  51           2HB      CYS  51   9.050   0.313  -1.692
  377    HB3  CYS  51           1HB      CYS  51   8.893   1.861  -0.867
  378    H    CYS  52           H        CYS  52   5.765   3.346  -2.244
  379    HA   CYS  52           HA       CYS  52   7.696   4.333  -4.306
  380    HB2  CYS  52           2HB      CYS  52   5.492   3.796  -5.253
  381    HB3  CYS  52           1HB      CYS  52   4.720   4.885  -4.110
  382    H    GLU  53           H        GLU  53   7.830   6.717  -4.408
  383    HA   GLU  53           HA       GLU  53   7.426   7.895  -1.694
  384    HB2  GLU  53           2HB      GLU  53   9.527   8.824  -3.640
  385    HB3  GLU  53           1HB      GLU  53   9.430   9.105  -1.899
  386    HG2  GLU  53           2HG      GLU  53  10.540   7.200  -1.463
  387    HG3  GLU  53           1HG      GLU  53   9.414   6.267  -2.447
  388    H    SER  54           H        SER  54   5.355   8.024  -3.469
  389    HA   SER  54           HA       SER  54   5.228  10.945  -3.976
  390    HB2  SER  54           2HB      SER  54   3.796   9.531  -6.048
  391    HB3  SER  54           1HB      SER  54   5.064  10.742  -6.217
  392    HG   SER  54           HG       SER  54   6.137   9.070  -6.946
  393    H    ASP  55           H        ASP  55   2.973  11.714  -3.881
  394    HA   ASP  55           HA       ASP  55   1.396  10.163  -2.034
  395    HB2  ASP  55           2HB      ASP  55   0.140  12.333  -3.676
  396    HB3  ASP  55           1HB      ASP  55  -0.069  11.941  -1.974
  397    H    LYS  56           H        LYS  56  -0.675   9.201  -2.428
  398    HA   LYS  56           HA       LYS  56  -1.876   7.534  -3.611
  399    HB2  LYS  56           2HB      LYS  56  -3.164   8.481  -5.428
  400    HB3  LYS  56           1HB      LYS  56  -2.957   9.736  -4.207
  401    HG2  LYS  56           2HG      LYS  56  -1.115  10.712  -5.480
  402    HG3  LYS  56           1HG      LYS  56  -1.228   9.424  -6.679
  403    HD2  LYS  56           2HD      LYS  56  -3.558  10.124  -7.181
  404    HD3  LYS  56           1HD      LYS  56  -3.386  11.452  -6.032
  405    HE2  LYS  56           2HE      LYS  56  -1.419  12.266  -7.372
  406    HE3  LYS  56           1HE      LYS  56  -1.793  11.032  -8.574
  407    HZ1  LYS  56           3HZ      LYS  56  -3.746  13.067  -7.660
  408    HZ2  LYS  56           1HZ      LYS  56  -3.902  12.005  -8.973
  409    HZ3  LYS  56           2HZ      LYS  56  -2.763  13.263  -9.031
  410    H    CYS  57           H        CYS  57   0.979   7.375  -3.983
  411    HA   CYS  57           HA       CYS  57   1.400   6.909  -6.853
  412    HB2  CYS  57           2HB      CYS  57   3.127   7.927  -5.340
  413    HB3  CYS  57           1HB      CYS  57   3.277   6.359  -4.548
  414    H    ASN  58           H        ASN  58   0.243   4.960  -4.247
  415    HA   ASN  58           HA       ASN  58   1.355   2.537  -5.495
  416    HB2  ASN  58           2HB      ASN  58   0.007   1.442  -3.557
  417    HB3  ASN  58           1HB      ASN  58   1.511   2.274  -3.190
  418   HD21  ASN  58          1HD2      ASN  58   0.214   2.270  -0.966
  419   HD22  ASN  58          2HD2      ASN  58  -0.768   3.638  -0.688
  420    H    LEU  59           H        LEU  59  -0.367   3.785  -7.217
  421    HA   LEU  59           HA       LEU  59  -2.905   2.227  -6.969
  422    HB2  LEU  59           2HB      LEU  59  -2.598   4.910  -7.423
  423    HB3  LEU  59           1HB      LEU  59  -2.727   4.293  -9.069
  424    HG   LEU  59           HG       LEU  59  -4.956   4.838  -8.160
  425   HD11  LEU  59          1HD1      LEU  59  -5.897   2.411  -8.344
  426   HD12  LEU  59          2HD1      LEU  59  -4.226   1.962  -8.687
  427   HD13  LEU  59          3HD1      LEU  59  -5.068   3.099  -9.740
  428   HD21  LEU  59          3HD2      LEU  59  -5.304   4.473  -5.959
  429   HD22  LEU  59          1HD2      LEU  59  -3.851   3.481  -5.845
  430   HD23  LEU  59          2HD2      LEU  59  -5.382   2.748  -6.318
  Start of MODEL   14
    1    H1   ARG   1           1HT      ARG   1   3.384  12.871   4.192
    2    H2   ARG   1           2HT      ARG   1   1.834  13.499   4.495
    3    H3   ARG   1           3HT      ARG   1   3.105  14.539   4.058
    4    HA   ARG   1           HA       ARG   1   2.116  14.385   2.046
    5    HB2  ARG   1           2HB      ARG   1   4.438  13.283   2.036
    6    HB3  ARG   1           1HB      ARG   1   3.576  11.745   1.983
    7    HG2  ARG   1           2HG      ARG   1   2.286  12.793  -0.007
    8    HG3  ARG   1           1HG      ARG   1   3.614  13.941  -0.073
    9    HD2  ARG   1           2HD      ARG   1   4.735  11.337   0.184
   10    HD3  ARG   1           1HD      ARG   1   3.505  11.252  -1.064
   11    HE   ARG   1           HE       ARG   1   5.352  12.107  -2.296
   12   HH11  ARG   1          1HH2      ARG   1   4.024  14.738  -2.036
   13   HH12  ARG   1          2HH2      ARG   1   5.287  15.738  -1.399
   14   HH21  ARG   1          1HH1      ARG   1   7.271  13.074  -0.419
   15   HH22  ARG   1          2HH1      ARG   1   7.119  14.797  -0.482
   16    H    ILE   2           H        ILE   2   0.656  13.180   0.536
   17    HA   ILE   2           HA       ILE   2  -1.138  11.365   2.078
   18    HB   ILE   2           HB       ILE   2  -1.721  12.354  -0.690
   19   HG12  ILE   2          2HG1      ILE   2  -1.940  13.939   1.879
   20   HG13  ILE   2          1HG1      ILE   2  -0.970  14.327   0.458
   21   HG21  ILE   2          1HG2      ILE   2  -3.258  10.753   0.320
   22   HG22  ILE   2          2HG2      ILE   2  -4.040  12.331   0.229
   23   HG23  ILE   2          3HG2      ILE   2  -3.395  11.754   1.767
   24   HD11  ILE   2          3HD1      ILE   2  -3.653  13.912  -0.415
   25   HD12  ILE   2          1HD1      ILE   2  -2.723  15.410  -0.444
   26   HD13  ILE   2          2HD1      ILE   2  -3.702  15.007   0.967
   27    H    CYS   3           H        CYS   3  -1.197   9.214   1.625
   28    HA   CYS   3           HA       CYS   3  -0.063   8.389  -1.012
   29    HB2  CYS   3           2HB      CYS   3   0.230   7.068   1.691
   30    HB3  CYS   3           1HB      CYS   3   0.444   6.161   0.198
   31    H    TYR   4           H        TYR   4  -0.985   5.968  -1.472
   32    HA   TYR   4           HA       TYR   4  -3.906   6.351  -1.278
   33    HB2  TYR   4           2HB      TYR   4  -2.165   5.123  -3.167
   34    HB3  TYR   4           1HB      TYR   4  -3.206   3.858  -2.535
   35    HD1  TYR   4           1HD      TYR   4  -5.699   4.142  -2.654
   36    HD2  TYR   4           2HD      TYR   4  -2.975   6.834  -4.595
   37    HE1  TYR   4           1HE      TYR   4  -7.540   4.970  -4.090
   38    HE2  TYR   4           2HE      TYR   4  -4.815   7.666  -6.031
   39    HH   TYR   4           HH       TYR   4  -7.427   6.223  -6.687
   40    H    ASN   5           H        ASN   5  -5.247   5.000  -0.138
   41    HA   ASN   5           HA       ASN   5  -3.955   3.041   1.691
   42    HB2  ASN   5           2HB      ASN   5  -4.940   4.687   3.056
   43    HB3  ASN   5           1HB      ASN   5  -6.310   4.902   1.974
   44   HD21  ASN   5          1HD2      ASN   5  -5.033   1.775   3.138
   45   HD22  ASN   5          2HD2      ASN   5  -6.427   1.348   4.001
   46    H    HIS   6           H        HIS   6  -6.394   3.610  -0.727
   47    HA   HIS   6           HA       HIS   6  -8.117   1.468  -0.336
   48    HB2  HIS   6           2HB      HIS   6  -8.969   2.291  -2.256
   49    HB3  HIS   6           1HB      HIS   6  -7.561   3.330  -2.394
   50    HD1  HIS   6           1HD      HIS   6  -6.452   3.069  -4.602
   51    HD2  HIS   6           2HD      HIS   6  -8.140  -0.521  -3.323
   52    HE1  HIS   6           1HE      HIS   6  -5.976   1.366  -6.416
   53    H    LEU   7           H        LEU   7  -7.950  -0.691  -0.454
   54    HA   LEU   7           HA       LEU   7  -5.332  -1.826  -1.307
   55    HB2  LEU   7           2HB      LEU   7  -5.959  -3.767   0.068
   56    HB3  LEU   7           1HB      LEU   7  -6.067  -2.284   1.014
   57    HG   LEU   7           HG       LEU   7  -8.549  -2.926  -0.409
   58   HD11  LEU   7          1HD1      LEU   7  -7.502  -4.797   1.736
   59   HD12  LEU   7          2HD1      LEU   7  -7.844  -5.222   0.059
   60   HD13  LEU   7          3HD1      LEU   7  -9.162  -4.774   1.141
   61   HD21  LEU   7          3HD2      LEU   7  -8.842  -2.827   2.416
   62   HD22  LEU   7          1HD2      LEU   7  -9.217  -1.557   1.251
   63   HD23  LEU   7          2HD2      LEU   7  -7.616  -1.635   1.988
   64    H    GLY   8           H        GLY   8  -5.348  -3.807  -2.565
   65    HA2  GLY   8           2HA      GLY   8  -6.008  -4.952  -4.510
   66    HA3  GLY   8           1HA      GLY   8  -7.503  -5.202  -3.610
   67    H    THR   9           H        THR   9  -8.887  -4.954  -5.406
   68    HA   THR   9           HA       THR   9  -8.821  -2.280  -6.742
   69    HB   THR   9           HB       THR   9  -8.558  -4.236  -8.250
   70    HG1  THR   9           1HG      THR   9  -9.706  -3.177  -9.638
   71   HG21  THR   9          3HG2      THR   9 -10.164  -5.588  -6.614
   72   HG22  THR   9          1HG2      THR   9 -10.054  -5.994  -8.327
   73   HG23  THR   9          2HG2      THR   9 -11.397  -5.014  -7.736
   74    H    LYS  10           H        LYS  10 -10.268  -3.560  -4.192
   75    HA   LYS  10           HA       LYS  10 -13.067  -3.383  -4.635
   76    HB2  LYS  10           2HB      LYS  10 -11.747  -2.496  -2.062
   77    HB3  LYS  10           1HB      LYS  10 -13.265  -3.362  -2.268
   78    HG2  LYS  10           2HG      LYS  10 -11.285  -4.955  -3.491
   79    HG3  LYS  10           1HG      LYS  10 -10.615  -4.434  -1.945
   80    HD2  LYS  10           2HD      LYS  10 -11.952  -5.871  -0.847
   81    HD3  LYS  10           1HD      LYS  10 -13.379  -5.138  -1.580
   82    HE2  LYS  10           2HE      LYS  10 -12.352  -6.588  -3.676
   83    HE3  LYS  10           1HE      LYS  10 -11.968  -7.620  -2.299
   84    HZ1  LYS  10           3HZ      LYS  10 -14.080  -8.299  -2.729
   85    HZ2  LYS  10           1HZ      LYS  10 -14.576  -6.797  -3.340
   86    HZ3  LYS  10           2HZ      LYS  10 -14.429  -7.023  -1.662
   87    HA   PRO  11           HA       PRO  11 -13.760   1.030  -4.712
   88    HB2  PRO  11           2HB      PRO  11 -15.839   1.423  -2.986
   89    HB3  PRO  11           1HB      PRO  11 -15.986   0.540  -4.515
   90    HG2  PRO  11           2HG      PRO  11 -16.048  -0.519  -1.752
   91    HG3  PRO  11           1HG      PRO  11 -16.607  -1.277  -3.250
   92    HD2  PRO  11           2HD      PRO  11 -14.120  -1.750  -1.837
   93    HD3  PRO  11           1HD      PRO  11 -14.713  -2.548  -3.311
   94    HA   PRO  12           HA       PRO  12 -12.442   2.429  -0.270
   95    HB2  PRO  12           2HB      PRO  12  -9.755   1.968  -0.118
   96    HB3  PRO  12           1HB      PRO  12 -10.980   0.878   0.541
   97    HG2  PRO  12           2HG      PRO  12  -9.330   0.542  -1.922
   98    HG3  PRO  12           1HG      PRO  12 -10.076  -0.684  -0.893
   99    HD2  PRO  12           2HD      PRO  12 -11.053   0.207  -3.378
  100    HD3  PRO  12           1HD      PRO  12 -11.946  -0.755  -2.187
  101    H    THR  13           H        THR  13 -10.171   3.982   0.059
  102    HA   THR  13           HA       THR  13  -9.869   5.501  -2.488
  103    HB   THR  13           HB       THR  13 -11.768   6.457  -1.132
  104    HG1  THR  13           1HG      THR  13 -11.115   8.479  -1.570
  105   HG21  THR  13          3HG2      THR  13  -9.497   6.916   0.814
  106   HG22  THR  13          1HG2      THR  13 -10.984   6.013   1.101
  107   HG23  THR  13          2HG2      THR  13 -11.039   7.765   0.906
  108    H    THR  14           H        THR  14  -8.558   7.721  -1.324
  109    HA   THR  14           HA       THR  14  -5.946   6.500  -0.748
  110    HB   THR  14           HB       THR  14  -5.108   8.838  -0.927
  111    HG1  THR  14           1HG      THR  14  -6.921   9.944  -0.242
  112   HG21  THR  14          3HG2      THR  14  -4.926   7.933  -3.000
  113   HG22  THR  14          1HG2      THR  14  -6.213   9.076  -3.382
  114   HG23  THR  14          2HG2      THR  14  -6.605   7.394  -3.028
  115    H    GLU  15           H        GLU  15  -4.638   8.054   0.874
  116    HA   GLU  15           HA       GLU  15  -6.231   8.856   3.210
  117    HB2  GLU  15           2HB      GLU  15  -5.363   7.305   4.770
  118    HB3  GLU  15           1HB      GLU  15  -5.769   6.314   3.371
  119    HG2  GLU  15           2HG      GLU  15  -3.609   5.569   3.888
  120    HG3  GLU  15           1HG      GLU  15  -3.292   6.785   2.648
  121    H    THR  16           H        THR  16  -4.906  10.069   4.757
  122    HA   THR  16           HA       THR  16  -2.462  11.155   3.435
  123    HB   THR  16           HB       THR  16  -3.353  12.583   5.821
  124    HG1  THR  16           1HG      THR  16  -5.393  11.993   5.360
  125   HG21  THR  16          3HG2      THR  16  -1.953  13.221   3.646
  126   HG22  THR  16          1HG2      THR  16  -2.903  14.428   4.513
  127   HG23  THR  16          2HG2      THR  16  -3.549  13.681   3.052
  128    H    CYS  17           H        CYS  17  -0.494  10.932   4.396
  129    HA   CYS  17           HA       CYS  17  -0.362   9.993   7.219
  130    HB2  CYS  17           2HB      CYS  17   0.471   8.534   4.780
  131    HB3  CYS  17           1HB      CYS  17   1.650   8.556   6.088
  132    H    GLN  18           H        GLN  18   2.195   9.857   7.721
  133    HA   GLN  18           HA       GLN  18   3.249  12.520   6.955
  134    HB2  GLN  18           2HB      GLN  18   3.291  11.873   9.341
  135    HB3  GLN  18           1HB      GLN  18   4.317  10.503   8.943
  136    HG2  GLN  18           2HG      GLN  18   5.628  12.506   9.701
  137    HG3  GLN  18           1HG      GLN  18   6.047  11.966   8.080
  138   HE21  GLN  18          1HE2      GLN  18   5.101  13.206   6.231
  139   HE22  GLN  18          2HE2      GLN  18   4.634  14.823   6.447
  140    H    GLU  19           H        GLU  19   3.996   9.106   6.782
  141    HA   GLU  19           HA       GLU  19   6.635   9.436   5.701
  142    HB2  GLU  19           2HB      GLU  19   5.391   7.072   4.599
  143    HB3  GLU  19           1HB      GLU  19   6.726   7.190   5.737
  144    HG2  GLU  19           2HG      GLU  19   3.781   7.313   6.464
  145    HG3  GLU  19           1HG      GLU  19   4.842   5.925   6.702
  146    H    ASP  20           H        ASP  20   7.185  10.195   3.746
  147    HA   ASP  20           HA       ASP  20   5.115  10.828   1.828
  148    HB2  ASP  20           2HB      ASP  20   7.540  10.969   0.420
  149    HB3  ASP  20           1HB      ASP  20   6.667  12.310   1.151
  150    H    SER  21           H        SER  21   6.753   8.007   2.579
  151    HA   SER  21           HA       SER  21   6.779   6.970  -0.146
  152    HB2  SER  21           2HB      SER  21   6.943   5.053   2.091
  153    HB3  SER  21           1HB      SER  21   8.005   5.242   0.704
  154    HG   SER  21           HG       SER  21   8.577   7.320   1.885
  155    H    CYS  22           H        CYS  22   5.419   4.943  -0.627
  156    HA   CYS  22           HA       CYS  22   2.929   4.832   1.007
  157    HB2  CYS  22           2HB      CYS  22   2.797   4.725  -2.000
  158    HB3  CYS  22           1HB      CYS  22   1.506   5.059  -0.854
  159    H    TYR  23           H        TYR  23   2.212   2.660   1.232
  160    HA   TYR  23           HA       TYR  23   3.911   0.719  -0.258
  161    HB2  TYR  23           2HB      TYR  23   3.785  -0.810   1.533
  162    HB3  TYR  23           1HB      TYR  23   4.091   0.746   2.279
  163    HD1  TYR  23           1HD      TYR  23   1.225  -1.467   1.273
  164    HD2  TYR  23           2HD      TYR  23   2.744   1.431   4.058
  165    HE1  TYR  23           1HE      TYR  23  -0.796  -1.759   2.674
  166    HE2  TYR  23           2HE      TYR  23   0.717   1.145   5.456
  167    HH   TYR  23           HH       TYR  23  -1.628   0.391   5.161
  168    H    LYS  24           H        LYS  24   3.023  -0.640  -1.562
  169    HA   LYS  24           HA       LYS  24   0.111  -1.219  -1.432
  170    HB2  LYS  24           2HB      LYS  24   0.047  -0.854  -3.918
  171    HB3  LYS  24           1HB      LYS  24   0.358   0.616  -3.001
  172    HG2  LYS  24           2HG      LYS  24   2.765  -0.934  -3.633
  173    HG3  LYS  24           1HG      LYS  24   1.925  -0.285  -5.021
  174    HD2  LYS  24           2HD      LYS  24   1.827   1.887  -3.448
  175    HD3  LYS  24           1HD      LYS  24   3.281   1.141  -2.792
  176    HE2  LYS  24           2HE      LYS  24   3.485   2.824  -4.799
  177    HE3  LYS  24           1HE      LYS  24   4.461   1.356  -4.791
  178    HZ1  LYS  24           3HZ      LYS  24   1.791   1.351  -6.035
  179    HZ2  LYS  24           1HZ      LYS  24   3.125   0.356  -6.361
  180    HZ3  LYS  24           2HZ      LYS  24   3.124   1.970  -6.888
  181    H    ASN  25           H        ASN  25   1.043  -3.154  -0.571
  182    HA   ASN  25           HA       ASN  25   2.365  -4.890  -2.605
  183    HB2  ASN  25           2HB      ASN  25   2.781  -6.183  -0.241
  184    HB3  ASN  25           1HB      ASN  25   3.879  -5.032  -0.962
  185   HD21  ASN  25          1HD2      ASN  25   3.174  -2.593  -0.366
  186   HD22  ASN  25          2HD2      ASN  25   2.823  -2.363   1.279
  187    H    ILE  26           H        ILE  26   2.023  -7.299  -2.087
  188    HA   ILE  26           HA       ILE  26  -0.859  -7.814  -2.247
  189    HB   ILE  26           HB       ILE  26  -0.259  -9.917  -3.120
  190   HG12  ILE  26          2HG1      ILE  26   1.302 -10.443  -1.145
  191   HG13  ILE  26          1HG1      ILE  26   1.774 -11.086  -2.712
  192   HG21  ILE  26          1HG2      ILE  26   1.430  -9.433  -4.790
  193   HG22  ILE  26          2HG2      ILE  26   2.093  -8.135  -3.796
  194   HG23  ILE  26          3HG2      ILE  26   0.487  -7.971  -4.505
  195   HD11  ILE  26          3HD1      ILE  26   3.193  -8.959  -2.984
  196   HD12  ILE  26          1HD1      ILE  26   3.760 -10.146  -1.813
  197   HD13  ILE  26          2HD1      ILE  26   2.924  -8.697  -1.263
  198    H    TRP  27           H        TRP  27   1.728  -8.275   0.073
  199    HA   TRP  27           HA       TRP  27   0.661 -10.315   1.680
  200    HB2  TRP  27           2HB      TRP  27   2.094  -7.805   2.579
  201    HB3  TRP  27           1HB      TRP  27   1.920  -9.282   3.530
  202    HD1  TRP  27           HD       TRP  27   3.721  -7.881   0.472
  203    HE1  TRP  27           1HE      TRP  27   5.618  -9.501  -0.202
  204    HE3  TRP  27           3HE      TRP  27   2.706 -11.773   3.615
  205    HZ2  TRP  27           2HZ      TRP  27   6.559 -12.106   0.496
  206    HZ3  TRP  27           3HZ      TRP  27   4.113 -13.812   3.585
  207    HH2  TRP  27           HH       TRP  27   6.037 -13.983   2.031
  208    H    THR  28           H        THR  28  -1.434 -10.393   2.326
  209    HA   THR  28           HA       THR  28  -2.460  -8.254   4.041
  210    HB   THR  28           HB       THR  28  -2.917  -7.620   1.582
  211    HG1  THR  28           1HG      THR  28  -5.369  -7.509   2.447
  212   HG21  THR  28          3HG2      THR  28  -3.644 -10.063   1.104
  213   HG22  THR  28          1HG2      THR  28  -4.611  -8.764   0.406
  214   HG23  THR  28          2HG2      THR  28  -5.174  -9.604   1.851
  215    H    PHE  29           H        PHE  29  -5.209  -9.086   3.880
  216    HA   PHE  29           HA       PHE  29  -4.922 -11.848   4.989
  217    HB2  PHE  29           2HB      PHE  29  -6.504  -9.472   5.796
  218    HB3  PHE  29           1HB      PHE  29  -7.331 -11.024   5.926
  219    HD1  PHE  29           2HD      PHE  29  -3.694 -10.271   6.317
  220    HD2  PHE  29           1HD      PHE  29  -7.335 -11.486   8.245
  221    HE1  PHE  29           2HE      PHE  29  -2.428 -10.778   8.388
  222    HE2  PHE  29           1HE      PHE  29  -6.070 -11.991  10.316
  223    HZ   PHE  29           HZ       PHE  29  -3.616 -11.637  10.389
  224    H    ASP  30           H        ASP  30  -8.053 -10.466   4.289
  225    HA   ASP  30           HA       ASP  30  -8.709 -12.716   2.573
  226    HB2  ASP  30           2HB      ASP  30 -10.869 -11.407   2.243
  227    HB3  ASP  30           1HB      ASP  30 -10.483 -11.817   3.915
  228    H    ASN  31           H        ASN  31  -8.402  -9.198   2.009
  229    HA   ASN  31           HA       ASN  31  -8.724  -9.386  -0.839
  230    HB2  ASN  31           2HB      ASN  31  -8.161  -7.328   1.112
  231    HB3  ASN  31           1HB      ASN  31  -7.083  -7.155  -0.272
  232   HD21  ASN  31          1HD2      ASN  31  -8.642  -7.937  -2.417
  233   HD22  ASN  31          2HD2      ASN  31 -10.015  -6.947  -2.551
  234    H    ILE  32           H        ILE  32  -6.434  -8.003  -1.808
  235    HA   ILE  32           HA       ILE  32  -4.242  -9.966  -1.292
  236    HB   ILE  32           HB       ILE  32  -4.722  -8.856  -4.042
  237   HG12  ILE  32          2HG1      ILE  32  -6.864  -9.843  -3.471
  238   HG13  ILE  32          1HG1      ILE  32  -6.007 -10.980  -4.512
  239   HG21  ILE  32          1HG2      ILE  32  -2.607 -10.044  -3.469
  240   HG22  ILE  32          2HG2      ILE  32  -3.544 -10.898  -4.696
  241   HG23  ILE  32          3HG2      ILE  32  -3.554 -11.466  -3.027
  242   HD11  ILE  32          3HD1      ILE  32  -5.249 -11.488  -1.797
  243   HD12  ILE  32          1HD1      ILE  32  -6.108 -12.552  -2.911
  244   HD13  ILE  32          2HD1      ILE  32  -7.009 -11.434  -1.887
  245    H    ILE  33           H        ILE  33  -4.709  -7.034  -3.312
  246    HA   ILE  33           HA       ILE  33  -2.064  -6.073  -2.467
  247    HB   ILE  33           HB       ILE  33  -3.926  -4.304  -3.973
  248   HG12  ILE  33          2HG1      ILE  33  -4.414  -6.417  -5.007
  249   HG13  ILE  33          1HG1      ILE  33  -3.338  -5.531  -6.082
  250   HG21  ILE  33          1HG2      ILE  33  -1.027  -5.071  -4.395
  251   HG22  ILE  33          2HG2      ILE  33  -1.565  -3.711  -3.408
  252   HG23  ILE  33          3HG2      ILE  33  -1.883  -3.721  -5.142
  253   HD11  ILE  33          3HD1      ILE  33  -1.904  -7.175  -4.118
  254   HD12  ILE  33          1HD1      ILE  33  -1.681  -7.061  -5.864
  255   HD13  ILE  33          2HD1      ILE  33  -2.925  -8.121  -5.202
  256    H    ARG  34           H        ARG  34  -1.726  -4.122  -1.298
  257    HA   ARG  34           HA       ARG  34  -4.134  -2.813  -0.197
  258    HB2  ARG  34           2HB      ARG  34  -3.517  -4.618   1.427
  259    HB3  ARG  34           1HB      ARG  34  -1.965  -3.803   1.657
  260    HG2  ARG  34           2HG      ARG  34  -2.908  -2.010   2.737
  261    HG3  ARG  34           1HG      ARG  34  -4.414  -2.132   1.847
  262    HD2  ARG  34           2HD      ARG  34  -4.420  -2.782   4.368
  263    HD3  ARG  34           1HD      ARG  34  -5.251  -3.837   3.226
  264    HE   ARG  34           HE       ARG  34  -2.570  -4.748   3.455
  265   HH11  ARG  34          1HH2      ARG  34  -5.439  -5.985   4.053
  266   HH12  ARG  34          2HH2      ARG  34  -5.125  -6.635   5.627
  267   HH21  ARG  34          1HH1      ARG  34  -2.156  -4.892   6.044
  268   HH22  ARG  34          2HH1      ARG  34  -3.266  -6.017   6.754
  269    H    ARG  35           H        ARG  35  -3.832  -0.747  -0.554
  270    HA   ARG  35           HA       ARG  35  -1.124   0.383  -0.804
  271    HB2  ARG  35           2HB      ARG  35  -3.767   1.809  -1.131
  272    HB3  ARG  35           1HB      ARG  35  -2.188   2.335  -1.709
  273    HG2  ARG  35           2HG      ARG  35  -2.077   0.600  -3.327
  274    HG3  ARG  35           1HG      ARG  35  -3.408  -0.285  -2.583
  275    HD2  ARG  35           2HD      ARG  35  -4.919   0.852  -3.801
  276    HD3  ARG  35           1HD      ARG  35  -4.250   2.395  -3.273
  277    HE   ARG  35           HE       ARG  35  -3.024   2.503  -5.298
  278   HH11  ARG  35          1HH1      ARG  35  -2.491  -0.626  -4.688
  279   HH12  ARG  35          2HH1      ARG  35  -2.882  -1.247  -6.257
  280   HH21  ARG  35          1HH2      ARG  35  -4.327   1.708  -7.357
  281   HH22  ARG  35          2HH2      ARG  35  -3.923   0.075  -7.769
  282    H    GLY  36           H        GLY  36  -0.268   1.931   0.579
  283    HA2  GLY  36           2HA      GLY  36  -1.870   2.997   2.793
  284    HA3  GLY  36           1HA      GLY  36  -0.609   1.869   3.269
  285    H    CYS  37           H        CYS  37   0.485   3.589   4.373
  286    HA   CYS  37           HA       CYS  37   1.905   5.464   2.524
  287    HB2  CYS  37           2HB      CYS  37   2.019   6.903   4.726
  288    HB3  CYS  37           1HB      CYS  37   0.563   6.935   3.734
  289    H    GLY  38           H        GLY  38   4.038   4.885   2.459
  290    HA2  GLY  38           2HA      GLY  38   6.162   4.836   3.725
  291    HA3  GLY  38           1HA      GLY  38   5.298   3.982   5.003
  292    H    CYS  39           H        CYS  39   6.989   2.306   4.669
  293    HA   CYS  39           HA       CYS  39   6.479   0.674   2.228
  294    HB2  CYS  39           2HB      CYS  39   8.801   0.548   4.179
  295    HB3  CYS  39           1HB      CYS  39   8.619  -0.444   2.732
  296    H    PHE  40           H        PHE  40   6.701  -1.736   2.672
  297    HA   PHE  40           HA       PHE  40   4.635  -2.528   4.494
  298    HB2  PHE  40           2HB      PHE  40   5.927  -4.876   4.019
  299    HB3  PHE  40           1HB      PHE  40   4.783  -4.157   2.890
  300    HD1  PHE  40           2HD      PHE  40   8.358  -4.626   3.680
  301    HD2  PHE  40           1HD      PHE  40   5.508  -3.083   0.874
  302    HE1  PHE  40           2HE      PHE  40  10.173  -4.310   2.008
  303    HE2  PHE  40           1HE      PHE  40   7.312  -2.759  -0.796
  304    HZ   PHE  40           HZ       PHE  40   9.653  -3.373  -0.229
  305    H    THR  41           H        THR  41   5.243  -4.500   6.050
  306    HA   THR  41           HA       THR  41   7.066  -3.303   8.015
  307    HB   THR  41           HB       THR  41   5.561  -5.848   8.503
  308    HG1  THR  41           1HG      THR  41   4.069  -4.419   7.602
  309   HG21  THR  41          3HG2      THR  41   7.156  -4.964  10.180
  310   HG22  THR  41          1HG2      THR  41   5.495  -4.953  10.772
  311   HG23  THR  41          2HG2      THR  41   6.244  -3.454  10.221
  312    HA   PRO  42           HA       PRO  42   9.254  -7.458   7.603
  313    HB2  PRO  42           2HB      PRO  42   8.395  -9.240   5.693
  314    HB3  PRO  42           1HB      PRO  42   7.747  -9.182   7.342
  315    HG2  PRO  42           2HG      PRO  42   6.458  -8.351   4.813
  316    HG3  PRO  42           1HG      PRO  42   5.716  -8.711   6.381
  317    HD2  PRO  42           2HD      PRO  42   6.296  -6.131   5.247
  318    HD3  PRO  42           1HD      PRO  42   5.548  -6.462   6.820
  319    H    ARG  43           H        ARG  43   9.761  -5.118   6.104
  320    HA   ARG  43           HA       ARG  43  10.395  -5.485   3.382
  321    HB2  ARG  43           2HB      ARG  43  10.735  -3.295   3.929
  322    HB3  ARG  43           1HB      ARG  43  11.300  -3.668   5.550
  323    HG2  ARG  43           2HG      ARG  43  13.161  -2.734   4.334
  324    HG3  ARG  43           1HG      ARG  43  13.471  -4.461   4.493
  325    HD2  ARG  43           2HD      ARG  43  12.465  -4.785   2.210
  326    HD3  ARG  43           1HD      ARG  43  12.366  -3.030   2.061
  327    HE   ARG  43           HE       ARG  43  14.653  -4.411   1.389
  328   HH11  ARG  43          1HH1      ARG  43  15.533  -4.106   4.227
  329   HH12  ARG  43          2HH1      ARG  43  16.354  -2.581   4.198
  330   HH21  ARG  43          1HH2      ARG  43  14.967  -1.592   1.178
  331   HH22  ARG  43          2HH2      ARG  43  16.033  -1.159   2.471
  332    H    GLY  44           H        GLY  44  11.995  -6.592   2.335
  333    HA2  GLY  44           2HA      GLY  44  14.553  -7.183   3.290
  334    HA3  GLY  44           1HA      GLY  44  13.526  -8.527   3.785
  335    H    ASP  45           H        ASP  45  15.195  -9.571   2.203
  336    HA   ASP  45           HA       ASP  45  14.461  -9.169  -0.635
  337    HB2  ASP  45           2HB      ASP  45  16.530 -11.013   0.595
  338    HB3  ASP  45           1HB      ASP  45  16.354 -10.639  -1.121
  339    H    MET  46           H        MET  46  13.189 -10.919   1.859
  340    HA   MET  46           HA       MET  46  12.826 -13.439   0.408
  341    HB2  MET  46           2HB      MET  46  12.521 -12.581   3.115
  342    HB3  MET  46           1HB      MET  46  10.980 -13.246   2.569
  343    HG2  MET  46           2HG      MET  46  13.387 -14.782   1.775
  344    HG3  MET  46           1HG      MET  46  13.020 -14.780   3.499
  345    HE1  MET  46           3HE      MET  46  10.901 -14.964   4.427
  346    HE2  MET  46           1HE      MET  46  11.083 -16.723   4.449
  347    HE3  MET  46           2HE      MET  46   9.574 -15.997   3.901
  348    HA   PRO  47           HA       PRO  47   8.433 -11.775  -0.126
  349    HB2  PRO  47           2HB      PRO  47   7.746  -9.413   1.087
  350    HB3  PRO  47           1HB      PRO  47   7.647 -10.979   1.901
  351    HG2  PRO  47           2HG      PRO  47   9.589  -8.784   2.330
  352    HG3  PRO  47           1HG      PRO  47   9.139 -10.111   3.413
  353    HD2  PRO  47           2HD      PRO  47  11.473  -9.928   1.758
  354    HD3  PRO  47           1HD      PRO  47  10.991 -11.291   2.785
  355    H    GLY  48           H        GLY  48   7.450 -10.110  -1.620
  356    HA2  GLY  48           2HA      GLY  48   9.424  -8.129  -2.592
  357    HA3  GLY  48           1HA      GLY  48   8.645  -9.211  -3.739
  358    HA   PRO  49           HA       PRO  49   5.080  -6.504  -2.199
  359    HB2  PRO  49           2HB      PRO  49   5.478  -4.909  -0.015
  360    HB3  PRO  49           1HB      PRO  49   4.957  -6.586   0.100
  361    HG2  PRO  49           2HG      PRO  49   7.621  -5.429   0.714
  362    HG3  PRO  49           1HG      PRO  49   6.866  -6.894   1.346
  363    HD2  PRO  49           2HD      PRO  49   8.851  -6.779  -0.678
  364    HD3  PRO  49           1HD      PRO  49   7.877  -8.180  -0.220
  365    H    TYR  50           H        TYR  50   4.808  -3.763  -1.693
  366    HA   TYR  50           HA       TYR  50   6.988  -2.543  -3.318
  367    HB2  TYR  50           2HB      TYR  50   4.033  -2.520  -3.775
  368    HB3  TYR  50           1HB      TYR  50   4.981  -1.113  -4.255
  369    HD1  TYR  50           2HD      TYR  50   7.292  -1.758  -5.489
  370    HD2  TYR  50           1HD      TYR  50   3.762  -4.202  -5.353
  371    HE1  TYR  50           2HE      TYR  50   8.046  -2.961  -7.522
  372    HE2  TYR  50           1HE      TYR  50   4.515  -5.404  -7.386
  373    HH   TYR  50           HH       TYR  50   6.402  -4.462  -9.481
  374    H    CYS  51           H        CYS  51   7.275  -0.324  -3.105
  375    HA   CYS  51           HA       CYS  51   5.881   1.246  -1.000
  376    HB2  CYS  51           2HB      CYS  51   7.993  -0.010  -0.022
  377    HB3  CYS  51           1HB      CYS  51   8.886   1.157  -0.990
  378    H    CYS  52           H        CYS  52   5.803   3.315  -1.763
  379    HA   CYS  52           HA       CYS  52   7.665   4.045  -3.986
  380    HB2  CYS  52           2HB      CYS  52   5.480   3.509  -4.951
  381    HB3  CYS  52           1HB      CYS  52   4.697   4.648  -3.865
  382    H    GLU  53           H        GLU  53   7.879   6.398  -4.230
  383    HA   GLU  53           HA       GLU  53   7.423   7.775  -1.618
  384    HB2  GLU  53           2HB      GLU  53   9.646   8.511  -3.502
  385    HB3  GLU  53           1HB      GLU  53   9.505   8.823  -1.769
  386    HG2  GLU  53           2HG      GLU  53   9.808   6.487  -1.250
  387    HG3  GLU  53           1HG      GLU  53   9.741   6.049  -2.958
  388    H    SER  54           H        SER  54   5.400   7.946  -3.342
  389    HA   SER  54           HA       SER  54   5.509  10.788  -4.177
  390    HB2  SER  54           2HB      SER  54   3.975   9.183  -6.069
  391    HB3  SER  54           1HB      SER  54   5.224  10.383  -6.387
  392    HG   SER  54           HG       SER  54   6.547   8.799  -6.717
  393    H    ASP  55           H        ASP  55   3.347  11.750  -4.116
  394    HA   ASP  55           HA       ASP  55   1.651  10.491  -2.154
  395    HB2  ASP  55           2HB      ASP  55   0.724  12.691  -3.987
  396    HB3  ASP  55           1HB      ASP  55   0.258  12.379  -2.321
  397    H    LYS  56           H        LYS  56  -0.384   9.524  -2.457
  398    HA   LYS  56           HA       LYS  56  -1.755   7.954  -3.570
  399    HB2  LYS  56           2HB      LYS  56  -1.733  10.003  -5.798
  400    HB3  LYS  56           1HB      LYS  56  -3.049   8.930  -5.317
  401    HG2  LYS  56           2HG      LYS  56  -2.120  10.633  -3.121
  402    HG3  LYS  56           1HG      LYS  56  -2.738  11.557  -4.490
  403    HD2  LYS  56           2HD      LYS  56  -4.555   9.453  -4.205
  404    HD3  LYS  56           1HD      LYS  56  -4.194   9.947  -2.550
  405    HE2  LYS  56           2HE      LYS  56  -5.743  11.567  -2.913
  406    HE3  LYS  56           1HE      LYS  56  -4.456  12.373  -3.809
  407    HZ1  LYS  56           3HZ      LYS  56  -6.019  10.352  -5.221
  408    HZ2  LYS  56           1HZ      LYS  56  -5.347  11.799  -5.796
  409    HZ3  LYS  56           2HZ      LYS  56  -6.785  11.832  -4.892
  410    H    CYS  57           H        CYS  57   1.082   7.599  -3.957
  411    HA   CYS  57           HA       CYS  57   1.554   7.033  -6.782
  412    HB2  CYS  57           2HB      CYS  57   3.334   7.706  -5.110
  413    HB3  CYS  57           1HB      CYS  57   3.167   6.105  -4.393
  414    H    ASN  58           H        ASN  58   0.226   5.290  -4.086
  415    HA   ASN  58           HA       ASN  58   0.846   2.630  -4.810
  416    HB2  ASN  58           2HB      ASN  58  -1.891   3.283  -3.800
  417    HB3  ASN  58           1HB      ASN  58  -0.803   1.992  -3.310
  418   HD21  ASN  58          1HD2      ASN  58  -0.198   2.350  -1.194
  419   HD22  ASN  58          2HD2      ASN  58   0.151   3.852  -0.498
  420    H    LEU  59           H        LEU  59  -1.043   4.950  -6.454
  421    HA   LEU  59           HA       LEU  59  -2.796   3.029  -7.769
  422    HB2  LEU  59           2HB      LEU  59  -2.824   5.784  -7.419
  423    HB3  LEU  59           1HB      LEU  59  -2.439   5.599  -9.131
  424    HG   LEU  59           HG       LEU  59  -4.880   5.681  -8.784
  425   HD11  LEU  59          1HD1      LEU  59  -5.053   2.997  -9.525
  426   HD12  LEU  59          2HD1      LEU  59  -3.417   3.463  -9.991
  427   HD13  LEU  59          3HD1      LEU  59  -4.802   4.360 -10.616
  428   HD21  LEU  59          3HD2      LEU  59  -5.495   3.211  -7.656
  429   HD22  LEU  59          1HD2      LEU  59  -5.634   4.774  -6.851
  430   HD23  LEU  59          2HD2      LEU  59  -4.173   3.806  -6.652
  Start of MODEL   15
    1    H1   ARG   1           1HT      ARG   1   2.795  13.877   4.604
    2    H2   ARG   1           2HT      ARG   1   1.872  12.463   4.793
    3    H3   ARG   1           3HT      ARG   1   1.102  13.971   4.647
    4    HA   ARG   1           HA       ARG   1   1.914  14.201   2.395
    5    HB2  ARG   1           2HB      ARG   1   3.818  12.399   3.182
    6    HB3  ARG   1           1HB      ARG   1   2.741  11.374   2.231
    7    HG2  ARG   1           2HG      ARG   1   3.009  13.785   0.783
    8    HG3  ARG   1           1HG      ARG   1   4.634  13.343   1.308
    9    HD2  ARG   1           2HD      ARG   1   3.692  10.915   0.523
   10    HD3  ARG   1           1HD      ARG   1   2.824  11.964  -0.591
   11    HE   ARG   1           HE       ARG   1   5.270  11.255  -1.274
   12   HH11  ARG   1          1HH2      ARG   1   3.897  14.284  -0.783
   13   HH12  ARG   1          2HH2      ARG   1   5.382  15.165  -0.890
   14   HH21  ARG   1          1HH1      ARG   1   7.376  12.332  -0.932
   15   HH22  ARG   1          2HH1      ARG   1   7.349  14.062  -0.977
   16    H    ILE   2           H        ILE   2   1.072  12.460   0.534
   17    HA   ILE   2           HA       ILE   2  -1.405  11.185   1.632
   18    HB   ILE   2           HB       ILE   2  -1.269  12.752  -0.953
   19   HG12  ILE   2          2HG1      ILE   2  -3.011  13.848   1.055
   20   HG13  ILE   2          1HG1      ILE   2  -1.390  13.636   1.720
   21   HG21  ILE   2          1HG2      ILE   2  -3.660  11.714   0.602
   22   HG22  ILE   2          2HG2      ILE   2  -2.926  10.839  -0.741
   23   HG23  ILE   2          3HG2      ILE   2  -3.661  12.418  -1.016
   24   HD11  ILE   2          3HD1      ILE   2  -1.454  15.823   0.704
   25   HD12  ILE   2          1HD1      ILE   2  -2.150  15.166  -0.778
   26   HD13  ILE   2          2HD1      ILE   2  -0.485  14.783  -0.340
   27    H    CYS   3           H        CYS   3  -1.211   9.042   1.183
   28    HA   CYS   3           HA       CYS   3  -0.018   8.401  -1.459
   29    HB2  CYS   3           2HB      CYS   3  -0.076   6.731   1.065
   30    HB3  CYS   3           1HB      CYS   3   0.490   6.136  -0.494
   31    H    TYR   4           H        TYR   4  -0.932   5.728  -1.667
   32    HA   TYR   4           HA       TYR   4  -3.815   6.311  -2.045
   33    HB2  TYR   4           2HB      TYR   4  -1.850   4.661  -3.506
   34    HB3  TYR   4           1HB      TYR   4  -3.450   3.947  -3.348
   35    HD1  TYR   4           2HD      TYR   4  -5.483   5.523  -3.896
   36    HD2  TYR   4           1HD      TYR   4  -1.445   6.238  -5.174
   37    HE1  TYR   4           2HE      TYR   4  -6.312   7.012  -5.698
   38    HE2  TYR   4           1HE      TYR   4  -2.273   7.723  -6.975
   39    HH   TYR   4           HH       TYR   4  -5.728   8.496  -7.274
   40    H    ASN   5           H        ASN   5  -5.405   4.993  -1.154
   41    HA   ASN   5           HA       ASN   5  -4.444   2.947   0.804
   42    HB2  ASN   5           2HB      ASN   5  -5.560   4.822   1.899
   43    HB3  ASN   5           1HB      ASN   5  -6.944   4.664   0.819
   44   HD21  ASN   5          1HD2      ASN   5  -5.285   1.812   2.088
   45   HD22  ASN   5          2HD2      ASN   5  -6.543   1.320   3.114
   46    H    HIS   6           H        HIS   6  -5.535   2.958  -2.212
   47    HA   HIS   6           HA       HIS   6  -7.933   1.429  -2.177
   48    HB2  HIS   6           2HB      HIS   6  -7.519   2.183  -4.282
   49    HB3  HIS   6           1HB      HIS   6  -5.784   1.940  -4.169
   50    HD1  HIS   6           1HD      HIS   6  -5.482   0.496  -6.252
   51    HD2  HIS   6           2HD      HIS   6  -8.425  -0.983  -3.701
   52    HE1  HIS   6           1HE      HIS   6  -6.105  -1.795  -7.132
   53    H    LEU   7           H        LEU   7  -8.348  -0.628  -1.809
   54    HA   LEU   7           HA       LEU   7  -6.068  -2.432  -1.122
   55    HB2  LEU   7           2HB      LEU   7  -8.953  -2.350  -0.231
   56    HB3  LEU   7           1HB      LEU   7  -7.933  -3.764   0.039
   57    HG   LEU   7           HG       LEU   7  -6.373  -1.568   0.839
   58   HD11  LEU   7          1HD1      LEU   7  -7.685  -0.144   2.098
   59   HD12  LEU   7          2HD1      LEU   7  -8.936  -1.359   2.365
   60   HD13  LEU   7          3HD1      LEU   7  -8.831  -0.526   0.813
   61   HD21  LEU   7          3HD2      LEU   7  -7.977  -3.653   2.340
   62   HD22  LEU   7          1HD2      LEU   7  -6.853  -2.557   3.144
   63   HD23  LEU   7          2HD2      LEU   7  -6.261  -3.698   1.935
   64    H    GLY   8           H        GLY   8  -5.635  -4.060  -2.498
   65    HA2  GLY   8           2HA      GLY   8  -6.054  -4.915  -4.817
   66    HA3  GLY   8           1HA      GLY   8  -6.551  -6.105  -3.625
   67    H    THR   9           H        THR   9  -8.813  -6.417  -3.246
   68    HA   THR   9           HA       THR   9 -10.479  -5.671  -5.567
   69    HB   THR   9           HB       THR   9 -11.978  -7.180  -3.691
   70    HG1  THR   9           1HG      THR   9 -10.562  -8.387  -2.758
   71   HG21  THR   9          3HG2      THR   9 -10.668  -7.608  -6.348
   72   HG22  THR   9          1HG2      THR   9 -12.379  -7.653  -5.923
   73   HG23  THR   9          2HG2      THR   9 -11.329  -9.006  -5.502
   74    H    LYS  10           H        LYS  10 -10.309  -5.026  -2.100
   75    HA   LYS  10           HA       LYS  10 -12.842  -3.956  -1.594
   76    HB2  LYS  10           2HB      LYS  10 -10.216  -3.802  -0.431
   77    HB3  LYS  10           1HB      LYS  10 -10.954  -2.204  -0.387
   78    HG2  LYS  10           2HG      LYS  10 -11.471  -3.677   1.619
   79    HG3  LYS  10           1HG      LYS  10 -12.890  -3.048   0.783
   80    HD2  LYS  10           2HD      LYS  10 -12.169  -5.482  -0.503
   81    HD3  LYS  10           1HD      LYS  10 -12.167  -5.784   1.235
   82    HE2  LYS  10           2HE      LYS  10 -14.433  -4.214   0.835
   83    HE3  LYS  10           1HE      LYS  10 -14.421  -5.300  -0.554
   84    HZ1  LYS  10           3HZ      LYS  10 -14.865  -5.882   2.231
   85    HZ2  LYS  10           1HZ      LYS  10 -13.773  -6.941   1.481
   86    HZ3  LYS  10           2HZ      LYS  10 -15.339  -6.750   0.850
   87    HA   PRO  11           HA       PRO  11 -13.178  -0.200  -3.833
   88    HB2  PRO  11           2HB      PRO  11 -13.744   1.747  -1.963
   89    HB3  PRO  11           1HB      PRO  11 -14.909   0.530  -2.511
   90    HG2  PRO  11           2HG      PRO  11 -13.404   0.666   0.062
   91    HG3  PRO  11           1HG      PRO  11 -14.974  -0.078  -0.283
   92    HD2  PRO  11           2HD      PRO  11 -12.540  -1.454  -0.005
   93    HD3  PRO  11           1HD      PRO  11 -14.018  -2.120  -0.727
   94    HA   PRO  12           HA       PRO  12  -9.106   1.541  -3.667
   95    HB2  PRO  12           2HB      PRO  12  -9.321   3.026  -5.971
   96    HB3  PRO  12           1HB      PRO  12  -9.042   1.276  -5.951
   97    HG2  PRO  12           2HG      PRO  12 -11.540   2.771  -6.598
   98    HG3  PRO  12           1HG      PRO  12 -11.018   1.168  -7.143
   99    HD2  PRO  12           2HD      PRO  12 -12.914   1.692  -5.109
  100    HD3  PRO  12           1HD      PRO  12 -12.143   0.126  -5.439
  101    H    THR  13           H        THR  13  -8.640   3.154  -2.247
  102    HA   THR  13           HA       THR  13  -9.738   5.864  -2.767
  103    HB   THR  13           HB       THR  13 -11.175   5.600  -1.020
  104    HG1  THR  13           1HG      THR  13 -10.276   6.321   0.824
  105   HG21  THR  13          3HG2      THR  13  -9.382   3.392   0.032
  106   HG22  THR  13          1HG2      THR  13 -10.833   3.160  -0.943
  107   HG23  THR  13          2HG2      THR  13 -10.963   3.823   0.686
  108    H    THR  14           H        THR  14  -8.260   7.510  -2.156
  109    HA   THR  14           HA       THR  14  -5.526   6.669  -1.984
  110    HB   THR  14           HB       THR  14  -5.061   9.120  -1.575
  111    HG1  THR  14           1HG      THR  14  -6.736  10.108  -0.782
  112   HG21  THR  14          3HG2      THR  14  -6.741   8.166  -3.892
  113   HG22  THR  14          1HG2      THR  14  -4.994   8.396  -3.827
  114   HG23  THR  14          2HG2      THR  14  -6.067   9.795  -3.843
  115    H    GLU  15           H        GLU  15  -4.230   8.106  -0.139
  116    HA   GLU  15           HA       GLU  15  -5.510   7.694   2.500
  117    HB2  GLU  15           2HB      GLU  15  -3.979   5.668   1.474
  118    HB3  GLU  15           1HB      GLU  15  -2.763   6.612   2.333
  119    HG2  GLU  15           2HG      GLU  15  -5.321   6.134   3.774
  120    HG3  GLU  15           1HG      GLU  15  -4.269   4.736   3.553
  121    H    THR  16           H        THR  16  -4.600   9.042   4.097
  122    HA   THR  16           HA       THR  16  -2.373  10.798   3.151
  123    HB   THR  16           HB       THR  16  -3.862  12.158   5.150
  124    HG1  THR  16           1HG      THR  16  -5.680  11.045   4.772
  125   HG21  THR  16          3HG2      THR  16  -2.585  12.780   2.867
  126   HG22  THR  16          1HG2      THR  16  -3.760  13.860   3.618
  127   HG23  THR  16          2HG2      THR  16  -4.245  12.823   2.277
  128    H    CYS  17           H        CYS  17  -0.611  10.686   4.433
  129    HA   CYS  17           HA       CYS  17  -0.960  10.055   7.324
  130    HB2  CYS  17           2HB      CYS  17   0.490   8.219   7.291
  131    HB3  CYS  17           1HB      CYS  17  -0.374   8.006   5.769
  132    H    GLN  18           H        GLN  18   1.728   9.851   7.950
  133    HA   GLN  18           HA       GLN  18   2.685  12.613   7.405
  134    HB2  GLN  18           2HB      GLN  18   2.623  11.885   9.769
  135    HB3  GLN  18           1HB      GLN  18   3.713  10.561   9.379
  136    HG2  GLN  18           2HG      GLN  18   4.907  12.591  10.271
  137    HG3  GLN  18           1HG      GLN  18   5.444  12.094   8.673
  138   HE21  GLN  18          1HE2      GLN  18   4.588  13.349   6.786
  139   HE22  GLN  18          2HE2      GLN  18   4.050  14.943   6.997
  140    H    GLU  19           H        GLU  19   3.547   9.225   7.167
  141    HA   GLU  19           HA       GLU  19   6.231   9.627   6.270
  142    HB2  GLU  19           2HB      GLU  19   4.994   7.277   5.049
  143    HB3  GLU  19           1HB      GLU  19   6.354   7.371   6.159
  144    HG2  GLU  19           2HG      GLU  19   4.586   7.814   7.993
  145    HG3  GLU  19           1HG      GLU  19   3.417   7.212   6.817
  146    H    ASP  20           H        ASP  20   6.909  10.464   4.424
  147    HA   ASP  20           HA       ASP  20   5.045  11.174   2.313
  148    HB2  ASP  20           2HB      ASP  20   7.780  11.251   1.379
  149    HB3  ASP  20           1HB      ASP  20   6.673  12.590   1.658
  150    H    SER  21           H        SER  21   6.589   8.326   3.159
  151    HA   SER  21           HA       SER  21   6.990   7.355   0.435
  152    HB2  SER  21           2HB      SER  21   6.936   5.160   2.183
  153    HB3  SER  21           1HB      SER  21   8.374   5.996   1.607
  154    HG   SER  21           HG       SER  21   8.534   7.013   3.466
  155    H    CYS  22           H        CYS  22   5.786   5.133  -0.035
  156    HA   CYS  22           HA       CYS  22   3.026   5.142   1.067
  157    HB2  CYS  22           2HB      CYS  22   3.598   4.945  -1.904
  158    HB3  CYS  22           1HB      CYS  22   2.020   5.028  -1.124
  159    H    TYR  23           H        TYR  23   2.656   3.048   1.727
  160    HA   TYR  23           HA       TYR  23   4.423   0.988   0.522
  161    HB2  TYR  23           2HB      TYR  23   4.125  -0.348   2.439
  162    HB3  TYR  23           1HB      TYR  23   4.321   1.280   3.050
  163    HD1  TYR  23           1HD      TYR  23   1.597  -1.032   1.919
  164    HD2  TYR  23           2HD      TYR  23   2.801   2.038   4.657
  165    HE1  TYR  23           1HE      TYR  23  -0.548  -1.282   3.116
  166    HE2  TYR  23           2HE      TYR  23   0.644   1.802   5.856
  167    HH   TYR  23           HH       TYR  23  -1.100  -0.157   6.140
  168    H    LYS  24           H        LYS  24   3.684  -0.628  -0.645
  169    HA   LYS  24           HA       LYS  24   0.782  -1.180  -0.638
  170    HB2  LYS  24           2HB      LYS  24   0.880   0.275  -2.497
  171    HB3  LYS  24           1HB      LYS  24   2.397  -0.411  -3.057
  172    HG2  LYS  24           2HG      LYS  24   1.274  -2.543  -3.538
  173    HG3  LYS  24           1HG      LYS  24  -0.252  -1.863  -2.966
  174    HD2  LYS  24           2HD      LYS  24  -0.028  -1.776  -5.442
  175    HD3  LYS  24           1HD      LYS  24  -0.209  -0.184  -4.712
  176    HE2  LYS  24           2HE      LYS  24   2.035   0.379  -5.047
  177    HE3  LYS  24           1HE      LYS  24   2.537  -1.307  -5.182
  178    HZ1  LYS  24           3HZ      LYS  24   2.517  -0.792  -7.366
  179    HZ2  LYS  24           1HZ      LYS  24   1.381   0.454  -7.192
  180    HZ3  LYS  24           2HZ      LYS  24   0.866  -1.164  -7.223
  181    H    ASN  25           H        ASN  25   0.849  -3.184   0.085
  182    HA   ASN  25           HA       ASN  25   2.697  -5.083  -1.295
  183    HB2  ASN  25           2HB      ASN  25   2.627  -6.260   1.039
  184    HB3  ASN  25           1HB      ASN  25   3.676  -4.870   0.818
  185   HD21  ASN  25          1HD2      ASN  25   2.489  -2.676   1.298
  186   HD22  ASN  25          2HD2      ASN  25   1.535  -2.675   2.699
  187    H    ILE  26           H        ILE  26   1.971  -7.439  -0.804
  188    HA   ILE  26           HA       ILE  26  -0.939  -7.571  -1.381
  189    HB   ILE  26           HB       ILE  26  -0.532  -9.552  -2.552
  190   HG12  ILE  26          2HG1      ILE  26   0.659 -10.682  -0.650
  191   HG13  ILE  26          1HG1      ILE  26   1.384 -11.010  -2.222
  192   HG21  ILE  26          1HG2      ILE  26   0.864  -8.779  -4.162
  193   HG22  ILE  26          2HG2      ILE  26   2.223  -8.641  -3.045
  194   HG23  ILE  26          3HG2      ILE  26   1.015  -7.358  -3.128
  195   HD11  ILE  26          3HD1      ILE  26   2.368  -9.115  -0.084
  196   HD12  ILE  26          1HD1      ILE  26   2.951  -9.041  -1.747
  197   HD13  ILE  26          2HD1      ILE  26   3.212 -10.497  -0.785
  198    H    TRP  27           H        TRP  27   1.274  -8.180   1.150
  199    HA   TRP  27           HA       TRP  27   0.232 -10.463   2.420
  200    HB2  TRP  27           2HB      TRP  27   0.979  -7.961   3.929
  201    HB3  TRP  27           1HB      TRP  27   1.161  -9.636   4.446
  202    HD1  TRP  27           HD       TRP  27   2.400 -10.601   1.565
  203    HE1  TRP  27           1HE      TRP  27   4.879 -10.039   1.099
  204    HE3  TRP  27           3HE      TRP  27   3.073  -6.801   4.898
  205    HZ2  TRP  27           2HZ      TRP  27   6.875  -8.214   2.035
  206    HZ3  TRP  27           3HZ      TRP  27   5.266  -5.671   5.093
  207    HH2  TRP  27           HH       TRP  27   7.168  -6.373   3.665
  208    H    THR  28           H        THR  28  -2.045 -10.615   2.246
  209    HA   THR  28           HA       THR  28  -3.509  -9.100   4.262
  210    HB   THR  28           HB       THR  28  -3.476  -8.169   1.546
  211    HG1  THR  28           1HG      THR  28  -3.852  -6.505   2.722
  212   HG21  THR  28          3HG2      THR  28  -6.173  -9.156   2.522
  213   HG22  THR  28          1HG2      THR  28  -5.340  -9.636   1.044
  214   HG23  THR  28          2HG2      THR  28  -5.961  -7.994   1.213
  215    H    PHE  29           H        PHE  29  -5.050 -10.421   5.106
  216    HA   PHE  29           HA       PHE  29  -5.412 -13.074   3.924
  217    HB2  PHE  29           2HB      PHE  29  -5.256 -12.496   6.435
  218    HB3  PHE  29           1HB      PHE  29  -6.932 -11.969   6.286
  219    HD1  PHE  29           2HD      PHE  29  -8.720 -13.567   5.775
  220    HD2  PHE  29           1HD      PHE  29  -4.644 -14.846   6.212
  221    HE1  PHE  29           2HE      PHE  29  -9.479 -15.922   5.947
  222    HE2  PHE  29           1HE      PHE  29  -5.403 -17.202   6.385
  223    HZ   PHE  29           HZ       PHE  29  -7.820 -17.739   6.253
  224    H    ASP  30           H        ASP  30  -7.196 -10.071   4.043
  225    HA   ASP  30           HA       ASP  30  -9.673 -11.375   3.108
  226    HB2  ASP  30           2HB      ASP  30  -8.941  -8.501   3.715
  227    HB3  ASP  30           1HB      ASP  30 -10.502  -8.969   3.040
  228    H    ASN  31           H        ASN  31  -8.464  -8.324   1.833
  229    HA   ASN  31           HA       ASN  31  -9.102  -9.096  -0.878
  230    HB2  ASN  31           2HB      ASN  31  -7.329  -6.785  -0.065
  231    HB3  ASN  31           1HB      ASN  31  -8.378  -6.907  -1.478
  232   HD21  ASN  31          1HD2      ASN  31  -8.229  -5.704   1.702
  233   HD22  ASN  31          2HD2      ASN  31  -9.891  -5.451   1.943
  234    H    ILE  32           H        ILE  32  -6.487  -7.658  -1.785
  235    HA   ILE  32           HA       ILE  32  -4.612  -9.938  -1.387
  236    HB   ILE  32           HB       ILE  32  -4.915  -8.667  -4.096
  237   HG12  ILE  32          2HG1      ILE  32  -7.163  -9.507  -3.276
  238   HG13  ILE  32          1HG1      ILE  32  -6.564 -10.307  -4.729
  239   HG21  ILE  32          1HG2      ILE  32  -4.192 -11.076  -4.680
  240   HG22  ILE  32          2HG2      ILE  32  -3.853 -11.255  -2.959
  241   HG23  ILE  32          3HG2      ILE  32  -2.992 -10.042  -3.907
  242   HD11  ILE  32          3HD1      ILE  32  -7.382 -11.582  -2.399
  243   HD12  ILE  32          1HD1      ILE  32  -5.622 -11.599  -2.279
  244   HD13  ILE  32          2HD1      ILE  32  -6.418 -12.308  -3.685
  245    H    ILE  33           H        ILE  33  -4.644  -6.928  -3.338
  246    HA   ILE  33           HA       ILE  33  -1.963  -6.268  -2.264
  247    HB   ILE  33           HB       ILE  33  -3.345  -4.318  -4.010
  248   HG12  ILE  33          2HG1      ILE  33  -4.222  -6.290  -5.034
  249   HG13  ILE  33          1HG1      ILE  33  -2.869  -5.760  -6.033
  250   HG21  ILE  33          1HG2      ILE  33  -0.811  -4.653  -3.188
  251   HG22  ILE  33          2HG2      ILE  33  -1.215  -3.893  -4.727
  252   HG23  ILE  33          3HG2      ILE  33  -0.744  -5.592  -4.679
  253   HD11  ILE  33          3HD1      ILE  33  -1.874  -7.755  -5.738
  254   HD12  ILE  33          1HD1      ILE  33  -3.218  -8.280  -4.726
  255   HD13  ILE  33          2HD1      ILE  33  -1.832  -7.471  -3.999
  256    H    ARG  34           H        ARG  34  -1.549  -4.243  -1.187
  257    HA   ARG  34           HA       ARG  34  -3.962  -2.737  -0.356
  258    HB2  ARG  34           2HB      ARG  34  -3.590  -4.433   1.398
  259    HB3  ARG  34           1HB      ARG  34  -1.966  -3.785   1.646
  260    HG2  ARG  34           2HG      ARG  34  -2.845  -1.636   2.292
  261    HG3  ARG  34           1HG      ARG  34  -4.480  -2.115   1.843
  262    HD2  ARG  34           2HD      ARG  34  -4.818  -2.999   3.872
  263    HD3  ARG  34           1HD      ARG  34  -3.407  -4.039   3.680
  264    HE   ARG  34           HE       ARG  34  -2.378  -1.522   4.331
  265   HH11  ARG  34          1HH1      ARG  34  -4.786  -1.119   5.990
  266   HH12  ARG  34          2HH1      ARG  34  -4.353  -1.869   7.490
  267   HH21  ARG  34          1HH2      ARG  34  -1.705  -3.654   6.138
  268   HH22  ARG  34          2HH2      ARG  34  -2.608  -3.304   7.574
  269    H    ARG  35           H        ARG  35  -3.440  -0.821  -1.110
  270    HA   ARG  35           HA       ARG  35  -0.715   0.251  -1.006
  271    HB2  ARG  35           2HB      ARG  35  -3.257   1.646  -1.852
  272    HB3  ARG  35           1HB      ARG  35  -1.607   2.162  -2.187
  273    HG2  ARG  35           2HG      ARG  35  -1.523   0.856  -4.008
  274    HG3  ARG  35           1HG      ARG  35  -1.948  -0.562  -3.052
  275    HD2  ARG  35           2HD      ARG  35  -4.009  -0.574  -3.948
  276    HD3  ARG  35           1HD      ARG  35  -4.286   1.072  -3.380
  277    HE   ARG  35           HE       ARG  35  -3.739   1.869  -5.547
  278   HH11  ARG  35          1HH2      ARG  35  -1.893  -0.916  -5.171
  279   HH12  ARG  35          2HH2      ARG  35  -2.019  -1.430  -6.819
  280   HH21  ARG  35          1HH1      ARG  35  -4.357   0.981  -7.674
  281   HH22  ARG  35          2HH1      ARG  35  -3.411  -0.357  -8.235
  282    H    GLY  36           H        GLY  36   0.018   1.610   0.541
  283    HA2  GLY  36           2HA      GLY  36  -1.902   2.954   2.347
  284    HA3  GLY  36           1HA      GLY  36  -0.731   1.859   3.060
  285    H    CYS  37           H        CYS  37   0.345   3.484   4.180
  286    HA   CYS  37           HA       CYS  37   1.836   5.429   2.470
  287    HB2  CYS  37           2HB      CYS  37  -0.081   6.095   4.217
  288    HB3  CYS  37           1HB      CYS  37   1.290   6.037   5.325
  289    H    GLY  38           H        GLY  38   4.023   5.179   2.588
  290    HA2  GLY  38           2HA      GLY  38   6.082   5.106   3.883
  291    HA3  GLY  38           1HA      GLY  38   5.224   4.165   5.103
  292    H    CYS  39           H        CYS  39   6.830   2.520   4.925
  293    HA   CYS  39           HA       CYS  39   6.517   0.872   2.443
  294    HB2  CYS  39           2HB      CYS  39   8.969   0.807   4.223
  295    HB3  CYS  39           1HB      CYS  39   8.767   0.089   2.628
  296    H    PHE  40           H        PHE  40   6.835  -1.478   2.842
  297    HA   PHE  40           HA       PHE  40   5.185  -2.386   5.019
  298    HB2  PHE  40           2HB      PHE  40   6.592  -4.644   4.269
  299    HB3  PHE  40           1HB      PHE  40   5.118  -4.083   3.477
  300    HD1  PHE  40           1HD      PHE  40   8.781  -4.246   3.284
  301    HD2  PHE  40           2HD      PHE  40   5.196  -2.856   1.381
  302    HE1  PHE  40           1HE      PHE  40  10.074  -3.752   1.221
  303    HE2  PHE  40           2HE      PHE  40   6.478  -2.365  -0.689
  304    HZ   PHE  40           HZ       PHE  40   8.923  -2.807  -0.770
  305    H    THR  41           H        THR  41   6.313  -4.324   6.396
  306    HA   THR  41           HA       THR  41   8.515  -2.921   7.792
  307    HB   THR  41           HB       THR  41   6.968  -5.288   8.845
  308    HG1  THR  41           1HG      THR  41   5.911  -3.079   8.259
  309   HG21  THR  41          3HG2      THR  41   7.824  -3.522  10.855
  310   HG22  THR  41          1HG2      THR  41   9.190  -3.691   9.754
  311   HG23  THR  41          2HG2      THR  41   8.474  -5.121  10.496
  312    HA   PRO  42           HA       PRO  42  10.490  -7.153   7.246
  313    HB2  PRO  42           2HB      PRO  42   9.113  -9.132   5.928
  314    HB3  PRO  42           1HB      PRO  42   8.948  -8.820   7.666
  315    HG2  PRO  42           2HG      PRO  42   7.004  -8.304   5.508
  316    HG3  PRO  42           1HG      PRO  42   6.739  -8.353   7.258
  317    HD2  PRO  42           2HD      PRO  42   7.075  -6.033   5.549
  318    HD3  PRO  42           1HD      PRO  42   6.683  -6.057   7.279
  319    H    ARG  43           H        ARG  43  10.497  -5.054   5.276
  320    HA   ARG  43           HA       ARG  43  10.330  -5.908   2.589
  321    HB2  ARG  43           2HB      ARG  43  12.019  -4.197   2.080
  322    HB3  ARG  43           1HB      ARG  43  10.859  -3.588   3.248
  323    HG2  ARG  43           2HG      ARG  43  12.389  -4.023   5.087
  324    HG3  ARG  43           1HG      ARG  43  13.535  -4.785   3.984
  325    HD2  ARG  43           2HD      ARG  43  14.132  -2.415   4.538
  326    HD3  ARG  43           1HD      ARG  43  13.886  -2.686   2.813
  327    HE   ARG  43           HE       ARG  43  11.445  -1.826   4.118
  328   HH11  ARG  43          1HH1      ARG  43  13.491  -1.109   1.640
  329   HH12  ARG  43          2HH1      ARG  43  13.394   0.614   1.783
  330   HH21  ARG  43          1HH2      ARG  43  11.732   0.533   4.825
  331   HH22  ARG  43          2HH2      ARG  43  12.400   1.543   3.588
  332    H    GLY  44           H        GLY  44  11.816  -6.977   1.208
  333    HA2  GLY  44           2HA      GLY  44  14.458  -7.640   1.787
  334    HA3  GLY  44           1HA      GLY  44  13.480  -8.919   2.499
  335    H    ASP  45           H        ASP  45  14.545 -10.353   0.899
  336    HA   ASP  45           HA       ASP  45  13.754  -9.925  -1.920
  337    HB2  ASP  45           2HB      ASP  45  16.083 -10.731  -1.107
  338    HB3  ASP  45           1HB      ASP  45  15.299 -12.295  -0.882
  339    H    MET  46           H        MET  46  12.770 -11.819   0.844
  340    HA   MET  46           HA       MET  46  11.574 -13.990  -0.570
  341    HB2  MET  46           2HB      MET  46  11.554 -12.992   2.155
  342    HB3  MET  46           1HB      MET  46   9.971 -13.601   1.676
  343    HG2  MET  46           2HG      MET  46  12.160 -15.323   0.772
  344    HG3  MET  46           1HG      MET  46  12.103 -15.158   2.527
  345    HE1  MET  46           3HE      MET  46   9.881 -17.713   3.522
  346    HE2  MET  46           1HE      MET  46  11.265 -16.633   3.738
  347    HE3  MET  46           2HE      MET  46  11.377 -18.005   2.638
  348    HA   PRO  47           HA       PRO  47   7.532 -11.553  -0.761
  349    HB2  PRO  47           2HB      PRO  47   7.351  -9.150   0.540
  350    HB3  PRO  47           1HB      PRO  47   7.007 -10.699   1.323
  351    HG2  PRO  47           2HG      PRO  47   9.365  -8.916   1.656
  352    HG3  PRO  47           1HG      PRO  47   8.704 -10.121   2.773
  353    HD2  PRO  47           2HD      PRO  47  10.971 -10.439   1.085
  354    HD3  PRO  47           1HD      PRO  47  10.175 -11.701   2.038
  355    H    GLY  48           H        GLY  48   6.750  -9.360  -1.867
  356    HA2  GLY  48           2HA      GLY  48   8.949  -7.786  -2.982
  357    HA3  GLY  48           1HA      GLY  48   8.073  -8.771  -4.147
  358    HA   PRO  49           HA       PRO  49   4.763  -5.730  -2.624
  359    HB2  PRO  49           2HB      PRO  49   5.276  -4.236  -0.388
  360    HB3  PRO  49           1HB      PRO  49   4.568  -5.856  -0.340
  361    HG2  PRO  49           2HG      PRO  49   7.345  -5.032   0.352
  362    HG3  PRO  49           1HG      PRO  49   6.387  -6.376   0.962
  363    HD2  PRO  49           2HD      PRO  49   8.415  -6.567  -0.983
  364    HD3  PRO  49           1HD      PRO  49   7.195  -7.787  -0.604
  365    H    TYR  50           H        TYR  50   4.606  -3.088  -2.399
  366    HA   TYR  50           HA       TYR  50   7.115  -2.007  -3.608
  367    HB2  TYR  50           2HB      TYR  50   4.783  -2.522  -5.004
  368    HB3  TYR  50           1HB      TYR  50   4.698  -0.790  -4.684
  369    HD1  TYR  50           2HD      TYR  50   7.556  -3.132  -5.350
  370    HD2  TYR  50           1HD      TYR  50   5.431   0.403  -6.547
  371    HE1  TYR  50           2HE      TYR  50   9.242  -2.720  -7.121
  372    HE2  TYR  50           1HE      TYR  50   7.116   0.815  -8.319
  373    HH   TYR  50           HH       TYR  50   9.404   0.247  -8.846
  374    H    CYS  51           H        CYS  51   7.780  -0.673  -1.926
  375    HA   CYS  51           HA       CYS  51   5.884   1.257  -0.660
  376    HB2  CYS  51           2HB      CYS  51   7.792   0.294   0.663
  377    HB3  CYS  51           1HB      CYS  51   8.918   1.043  -0.467
  378    H    CYS  52           H        CYS  52   6.378   3.625  -0.977
  379    HA   CYS  52           HA       CYS  52   8.042   4.262  -3.337
  380    HB2  CYS  52           2HB      CYS  52   5.875   3.680  -4.327
  381    HB3  CYS  52           1HB      CYS  52   5.074   4.865  -3.302
  382    H    GLU  53           H        GLU  53   8.253   6.599  -3.631
  383    HA   GLU  53           HA       GLU  53   7.665   8.060  -1.092
  384    HB2  GLU  53           2HB      GLU  53  10.014   8.684  -2.873
  385    HB3  GLU  53           1HB      GLU  53   9.753   9.144  -1.189
  386    HG2  GLU  53           2HG      GLU  53   9.911   6.781  -0.510
  387    HG3  GLU  53           1HG      GLU  53  10.180   6.316  -2.190
  388    H    SER  54           H        SER  54   5.668   8.367  -2.648
  389    HA   SER  54           HA       SER  54   5.834  11.122  -3.598
  390    HB2  SER  54           2HB      SER  54   4.603   9.925  -5.798
  391    HB3  SER  54           1HB      SER  54   6.220  10.623  -5.771
  392    HG   SER  54           HG       SER  54   6.129   8.403  -6.471
  393    H    ASP  55           H        ASP  55   3.697  12.037  -3.710
  394    HA   ASP  55           HA       ASP  55   1.774  10.646  -2.091
  395    HB2  ASP  55           2HB      ASP  55   0.974  12.925  -3.875
  396    HB3  ASP  55           1HB      ASP  55   0.464  12.563  -2.226
  397    H    LYS  56           H        LYS  56  -0.241   9.735  -2.722
  398    HA   LYS  56           HA       LYS  56  -1.450   8.248  -4.096
  399    HB2  LYS  56           2HB      LYS  56  -1.183  10.840  -5.551
  400    HB3  LYS  56           1HB      LYS  56  -1.822   9.467  -6.455
  401    HG2  LYS  56           2HG      LYS  56  -3.707   9.284  -5.124
  402    HG3  LYS  56           1HG      LYS  56  -2.913   9.997  -3.721
  403    HD2  LYS  56           2HD      LYS  56  -4.181  11.815  -4.318
  404    HD3  LYS  56           1HD      LYS  56  -2.808  12.112  -5.385
  405    HE2  LYS  56           2HE      LYS  56  -4.249  10.416  -6.935
  406    HE3  LYS  56           1HE      LYS  56  -5.552  11.205  -6.046
  407    HZ1  LYS  56           3HZ      LYS  56  -4.750  13.334  -6.727
  408    HZ2  LYS  56           1HZ      LYS  56  -4.926  12.369  -8.111
  409    HZ3  LYS  56           2HZ      LYS  56  -3.381  12.649  -7.463
  410    H    CYS  57           H        CYS  57   1.410   7.799  -4.078
  411    HA   CYS  57           HA       CYS  57   2.133   7.269  -6.889
  412    HB2  CYS  57           2HB      CYS  57   3.902   8.094  -5.466
  413    HB3  CYS  57           1HB      CYS  57   3.600   6.828  -4.276
  414    H    ASN  58           H        ASN  58   0.864   5.466  -4.146
  415    HA   ASN  58           HA       ASN  58   1.523   2.941  -5.496
  416    HB2  ASN  58           2HB      ASN  58   0.322   1.986  -3.389
  417    HB3  ASN  58           1HB      ASN  58   1.930   2.680  -3.211
  418   HD21  ASN  58          1HD2      ASN  58   0.524   2.652  -0.897
  419   HD22  ASN  58          2HD2      ASN  58  -0.134   4.174  -0.521
  420    H    LEU  59           H        LEU  59  -0.042   3.928  -7.223
  421    HA   LEU  59           HA       LEU  59  -2.857   3.178  -6.556
  422    HB2  LEU  59           2HB      LEU  59  -1.965   5.489  -7.677
  423    HB3  LEU  59           1HB      LEU  59  -2.260   4.530  -9.127
  424    HG   LEU  59           HG       LEU  59  -4.235   5.183  -6.928
  425   HD11  LEU  59          1HD1      LEU  59  -5.409   6.379  -8.615
  426   HD12  LEU  59          2HD1      LEU  59  -4.472   5.630  -9.907
  427   HD13  LEU  59          3HD1      LEU  59  -3.717   6.820  -8.846
  428   HD21  LEU  59          3HD2      LEU  59  -4.528   2.844  -7.578
  429   HD22  LEU  59          1HD2      LEU  59  -4.495   3.288  -9.284
  430   HD23  LEU  59          2HD2      LEU  59  -5.835   3.809  -8.263
  Start of MODEL   16
    1    H1   ARG   1           1HT      ARG   1   2.659  11.973   4.475
    2    H2   ARG   1           2HT      ARG   1   1.929  13.500   4.628
    3    H3   ARG   1           3HT      ARG   1   3.570  13.379   4.208
    4    HA   ARG   1           HA       ARG   1   2.081  13.918   2.316
    5    HB2  ARG   1           2HB      ARG   1   4.312  12.861   2.027
    6    HB3  ARG   1           1HB      ARG   1   3.563  11.273   2.184
    7    HG2  ARG   1           2HG      ARG   1   2.126  11.810   0.208
    8    HG3  ARG   1           1HG      ARG   1   3.020  13.316   0.010
    9    HD2  ARG   1           2HD      ARG   1   4.658  10.857   0.276
   10    HD3  ARG   1           1HD      ARG   1   3.722  10.982  -1.204
   11    HE   ARG   1           HE       ARG   1   5.968  12.114  -1.455
   12   HH11  ARG   1          1HH1      ARG   1   5.804  13.770   1.059
   13   HH12  ARG   1          2HH1      ARG   1   5.365  15.324   0.429
   14   HH21  ARG   1          1HH2      ARG   1   4.358  14.085  -2.651
   15   HH22  ARG   1          2HH2      ARG   1   4.545  15.502  -1.671
   16    H    ILE   2           H        ILE   2   0.609  12.814   0.675
   17    HA   ILE   2           HA       ILE   2  -1.236  10.967   2.127
   18    HB   ILE   2           HB       ILE   2  -1.863  12.452  -0.420
   19   HG12  ILE   2          2HG1      ILE   2  -3.048  13.705   1.836
   20   HG13  ILE   2          1HG1      ILE   2  -1.327  13.505   2.174
   21   HG21  ILE   2          1HG2      ILE   2  -4.192  12.179   0.495
   22   HG22  ILE   2          2HG2      ILE   2  -3.512  11.208   1.800
   23   HG23  ILE   2          3HG2      ILE   2  -3.391  10.650   0.132
   24   HD11  ILE   2          3HD1      ILE   2  -2.442  14.725  -0.365
   25   HD12  ILE   2          1HD1      ILE   2  -0.741  14.616   0.088
   26   HD13  ILE   2          2HD1      ILE   2  -1.833  15.656   1.003
   27    H    CYS   3           H        CYS   3  -1.263   8.882   1.489
   28    HA   CYS   3           HA       CYS   3  -0.321   8.381  -1.284
   29    HB2  CYS   3           2HB      CYS   3  -0.090   6.572   1.141
   30    HB3  CYS   3           1HB      CYS   3   0.349   6.099  -0.499
   31    H    TYR   4           H        TYR   4  -1.233   5.825  -1.708
   32    HA   TYR   4           HA       TYR   4  -4.148   6.306  -1.580
   33    HB2  TYR   4           2HB      TYR   4  -2.349   4.889  -3.445
   34    HB3  TYR   4           1HB      TYR   4  -3.914   4.122  -3.174
   35    HD1  TYR   4           1HD      TYR   4  -5.982   5.815  -3.159
   36    HD2  TYR   4           2HD      TYR   4  -2.209   6.540  -5.077
   37    HE1  TYR   4           1HE      TYR   4  -7.055   7.481  -4.649
   38    HE2  TYR   4           2HE      TYR   4  -3.283   8.203  -6.568
   39    HH   TYR   4           HH       TYR   4  -6.095   9.631  -5.992
   40    H    ASN   5           H        ASN   5  -5.584   4.814  -0.689
   41    HA   ASN   5           HA       ASN   5  -4.341   2.633   0.936
   42    HB2  ASN   5           2HB      ASN   5  -5.341   4.136   2.454
   43    HB3  ASN   5           1HB      ASN   5  -6.731   4.414   1.415
   44   HD21  ASN   5          1HD2      ASN   5  -5.178   1.412   2.702
   45   HD22  ASN   5          2HD2      ASN   5  -6.613   0.776   3.347
   46    H    HIS   6           H        HIS   6  -5.947   3.062  -1.884
   47    HA   HIS   6           HA       HIS   6  -8.180   1.379  -1.842
   48    HB2  HIS   6           2HB      HIS   6  -7.937   2.326  -3.897
   49    HB3  HIS   6           1HB      HIS   6  -6.192   2.157  -3.910
   50    HD1  HIS   6           1HD      HIS   6  -5.985   0.943  -6.150
   51    HD2  HIS   6           2HD      HIS   6  -8.647  -0.935  -3.549
   52    HE1  HIS   6           1HE      HIS   6  -6.558  -1.289  -7.200
   53    H    LEU   7           H        LEU   7  -8.489  -0.725  -1.604
   54    HA   LEU   7           HA       LEU   7  -6.084  -2.463  -1.256
   55    HB2  LEU   7           2HB      LEU   7  -8.904  -2.718  -0.190
   56    HB3  LEU   7           1HB      LEU   7  -7.666  -3.960   0.003
   57    HG   LEU   7           HG       LEU   7  -6.304  -1.753   0.840
   58   HD11  LEU   7          1HD1      LEU   7  -8.895  -1.338   2.239
   59   HD12  LEU   7          2HD1      LEU   7  -8.783  -0.707   0.597
   60   HD13  LEU   7          3HD1      LEU   7  -7.639  -0.170   1.827
   61   HD21  LEU   7          3HD2      LEU   7  -6.657  -4.021   1.947
   62   HD22  LEU   7          1HD2      LEU   7  -8.129  -3.355   2.651
   63   HD23  LEU   7          2HD2      LEU   7  -6.563  -2.651   3.053
   64    H    GLY   8           H        GLY   8  -5.743  -4.113  -2.618
   65    HA2  GLY   8           2HA      GLY   8  -6.091  -4.994  -4.887
   66    HA3  GLY   8           1HA      GLY   8  -6.932  -6.076  -3.786
   67    H    THR   9           H        THR   9  -9.188  -6.158  -3.847
   68    HA   THR   9           HA       THR   9 -10.430  -4.686  -6.123
   69    HB   THR   9           HB       THR   9 -10.882  -6.970  -6.409
   70    HG1  THR   9           1HG      THR   9 -12.974  -6.832  -6.397
   71   HG21  THR   9          3HG2      THR   9 -11.202  -7.046  -3.402
   72   HG22  THR   9          1HG2      THR   9  -9.982  -7.861  -4.379
   73   HG23  THR   9          2HG2      THR   9 -11.662  -8.391  -4.445
   74    H    LYS  10           H        LYS  10 -10.317  -4.773  -2.709
   75    HA   LYS  10           HA       LYS  10 -12.874  -3.994  -1.871
   76    HB2  LYS  10           2HB      LYS  10 -10.190  -3.889  -0.860
   77    HB3  LYS  10           1HB      LYS  10 -10.973  -2.350  -0.512
   78    HG2  LYS  10           2HG      LYS  10 -12.904  -3.598   0.467
   79    HG3  LYS  10           1HG      LYS  10 -12.037  -5.105   0.182
   80    HD2  LYS  10           2HD      LYS  10 -10.710  -4.809   1.986
   81    HD3  LYS  10           1HD      LYS  10 -10.410  -3.118   1.585
   82    HE2  LYS  10           2HE      LYS  10 -12.135  -2.362   2.887
   83    HE3  LYS  10           1HE      LYS  10 -13.142  -3.769   2.550
   84    HZ1  LYS  10           3HZ      LYS  10 -11.855  -5.075   4.057
   85    HZ2  LYS  10           1HZ      LYS  10 -12.326  -3.659   4.866
   86    HZ3  LYS  10           2HZ      LYS  10 -10.737  -3.817   4.287
   87    HA   PRO  11           HA       PRO  11 -13.542   0.080  -3.384
   88    HB2  PRO  11           2HB      PRO  11 -14.016   1.652  -1.168
   89    HB3  PRO  11           1HB      PRO  11 -15.186   0.496  -1.827
   90    HG2  PRO  11           2HG      PRO  11 -13.471   0.254   0.605
   91    HG3  PRO  11           1HG      PRO  11 -15.049  -0.476   0.266
   92    HD2  PRO  11           2HD      PRO  11 -12.585  -1.806   0.113
   93    HD3  PRO  11           1HD      PRO  11 -14.098  -2.374  -0.622
   94    HA   PRO  12           HA       PRO  12  -9.461   1.793  -3.153
   95    HB2  PRO  12           2HB      PRO  12  -9.759   3.554  -5.248
   96    HB3  PRO  12           1HB      PRO  12  -9.450   1.820  -5.449
   97    HG2  PRO  12           2HG      PRO  12 -11.993   3.331  -5.835
   98    HG3  PRO  12           1HG      PRO  12 -11.456   1.826  -6.598
   99    HD2  PRO  12           2HD      PRO  12 -13.307   2.026  -4.473
  100    HD3  PRO  12           1HD      PRO  12 -12.490   0.541  -5.003
  101    H    THR  13           H        THR  13  -8.881   3.235  -1.642
  102    HA   THR  13           HA       THR  13 -10.062   5.956  -1.698
  103    HB   THR  13           HB       THR  13 -11.335   5.453   0.117
  104    HG1  THR  13           1HG      THR  13 -10.308   6.050   1.879
  105   HG21  THR  13          3HG2      THR  13 -11.396   3.151   0.175
  106   HG22  THR  13          1HG2      THR  13 -10.482   3.435   1.657
  107   HG23  THR  13          2HG2      THR  13  -9.639   3.003   0.170
  108    H    THR  14           H        THR  14  -8.552   7.535  -1.039
  109    HA   THR  14           HA       THR  14  -5.799   6.718  -1.160
  110    HB   THR  14           HB       THR  14  -5.318   9.122  -0.593
  111    HG1  THR  14           1HG      THR  14  -7.257   9.402   0.644
  112   HG21  THR  14          3HG2      THR  14  -6.808   9.913  -2.675
  113   HG22  THR  14          1HG2      THR  14  -7.005   8.169  -2.848
  114   HG23  THR  14          2HG2      THR  14  -5.391   8.880  -2.870
  115    H    GLU  15           H        GLU  15  -4.354   7.946   0.668
  116    HA   GLU  15           HA       GLU  15  -5.432   7.457   3.370
  117    HB2  GLU  15           2HB      GLU  15  -4.087   5.392   2.088
  118    HB3  GLU  15           1HB      GLU  15  -2.830   6.158   3.056
  119    HG2  GLU  15           2HG      GLU  15  -5.480   5.067   4.033
  120    HG3  GLU  15           1HG      GLU  15  -3.864   4.502   4.459
  121    H    THR  16           H        THR  16  -4.742   9.187   4.527
  122    HA   THR  16           HA       THR  16  -2.331  10.628   3.585
  123    HB   THR  16           HB       THR  16  -3.454  11.892   5.870
  124    HG1  THR  16           1HG      THR  16  -5.523  11.764   4.083
  125   HG21  THR  16          3HG2      THR  16  -4.134  12.755   3.093
  126   HG22  THR  16          1HG2      THR  16  -2.433  12.690   3.554
  127   HG23  THR  16          2HG2      THR  16  -3.552  13.713   4.454
  128    H    CYS  17           H        CYS  17  -0.425  10.334   4.582
  129    HA   CYS  17           HA       CYS  17  -0.392   9.575   7.455
  130    HB2  CYS  17           2HB      CYS  17   1.388   8.191   5.448
  131    HB3  CYS  17           1HB      CYS  17   1.086   7.741   7.124
  132    H    GLN  18           H        GLN  18   2.274   9.401   7.891
  133    HA   GLN  18           HA       GLN  18   3.172  12.148   7.231
  134    HB2  GLN  18           2HB      GLN  18   3.298  11.340   9.565
  135    HB3  GLN  18           1HB      GLN  18   4.420  10.087   9.056
  136    HG2  GLN  18           2HG      GLN  18   5.569  12.147   9.937
  137    HG3  GLN  18           1HG      GLN  18   6.023  11.723   8.293
  138   HE21  GLN  18          1HE2      GLN  18   5.003  12.991   6.508
  139   HE22  GLN  18          2HE2      GLN  18   4.403  14.549   6.804
  140    H    GLU  19           H        GLU  19   4.064   8.811   6.728
  141    HA   GLU  19           HA       GLU  19   6.710   9.313   5.780
  142    HB2  GLU  19           2HB      GLU  19   5.189   7.078   4.537
  143    HB3  GLU  19           1HB      GLU  19   6.812   7.085   5.214
  144    HG2  GLU  19           2HG      GLU  19   5.352   7.588   7.453
  145    HG3  GLU  19           1HG      GLU  19   4.219   6.581   6.551
  146    H    ASP  20           H        ASP  20   7.478   9.884   3.797
  147    HA   ASP  20           HA       ASP  20   5.553  11.038   1.915
  148    HB2  ASP  20           2HB      ASP  20   8.344  10.861   1.003
  149    HB3  ASP  20           1HB      ASP  20   7.294  12.267   1.133
  150    H    SER  21           H        SER  21   6.862   7.968   2.378
  151    HA   SER  21           HA       SER  21   6.868   7.350  -0.496
  152    HB2  SER  21           2HB      SER  21   8.540   6.035   0.339
  153    HB3  SER  21           1HB      SER  21   7.820   5.968   1.939
  154    HG   SER  21           HG       SER  21   7.505   4.309  -0.230
  155    H    CYS  22           H        CYS  22   5.708   5.082  -0.932
  156    HA   CYS  22           HA       CYS  22   3.166   4.854   0.541
  157    HB2  CYS  22           2HB      CYS  22   3.112   5.187  -2.470
  158    HB3  CYS  22           1HB      CYS  22   1.745   5.163  -1.359
  159    H    TYR  23           H        TYR  23   2.897   2.630   0.774
  160    HA   TYR  23           HA       TYR  23   4.515   0.979  -1.085
  161    HB2  TYR  23           2HB      TYR  23   4.328  -0.831   0.513
  162    HB3  TYR  23           1HB      TYR  23   4.892   0.607   1.326
  163    HD1  TYR  23           1HD      TYR  23   1.698  -1.172   0.491
  164    HD2  TYR  23           2HD      TYR  23   3.817   1.283   3.308
  165    HE1  TYR  23           1HE      TYR  23  -0.200  -1.349   2.068
  166    HE2  TYR  23           2HE      TYR  23   1.916   1.105   4.885
  167    HH   TYR  23           HH       TYR  23  -0.012   0.036   5.329
  168    H    LYS  24           H        LYS  24   3.743  -0.706  -2.157
  169    HA   LYS  24           HA       LYS  24   0.808  -1.219  -2.091
  170    HB2  LYS  24           2HB      LYS  24   2.190   0.060  -4.238
  171    HB3  LYS  24           1HB      LYS  24   1.697  -1.555  -4.763
  172    HG2  LYS  24           2HG      LYS  24  -0.526  -0.997  -3.567
  173    HG3  LYS  24           1HG      LYS  24  -0.008   0.677  -3.751
  174    HD2  LYS  24           2HD      LYS  24  -0.405  -1.356  -5.947
  175    HD3  LYS  24           1HD      LYS  24  -1.327   0.122  -5.690
  176    HE2  LYS  24           2HE      LYS  24   0.116   1.043  -7.180
  177    HE3  LYS  24           1HE      LYS  24   1.239   1.083  -5.823
  178    HZ1  LYS  24           3HZ      LYS  24   1.644  -1.380  -6.612
  179    HZ2  LYS  24           1HZ      LYS  24   2.478  -0.077  -7.307
  180    HZ3  LYS  24           2HZ      LYS  24   1.132  -0.743  -8.101
  181    H    ASN  25           H        ASN  25   1.014  -3.217  -1.152
  182    HA   ASN  25           HA       ASN  25   2.941  -5.115  -2.410
  183    HB2  ASN  25           2HB      ASN  25   1.682  -6.033   0.068
  184    HB3  ASN  25           1HB      ASN  25   3.387  -5.924  -0.344
  185   HD21  ASN  25          1HD2      ASN  25   3.441  -3.023  -0.826
  186   HD22  ASN  25          2HD2      ASN  25   3.188  -2.277   0.667
  187    H    ILE  26           H        ILE  26   2.276  -7.198  -3.007
  188    HA   ILE  26           HA       ILE  26  -0.571  -7.366  -3.752
  189    HB   ILE  26           HB       ILE  26   0.102  -9.134  -5.211
  190   HG12  ILE  26          2HG1      ILE  26   2.784  -9.627  -4.877
  191   HG13  ILE  26          1HG1      ILE  26   2.243  -9.435  -3.210
  192   HG21  ILE  26          1HG2      ILE  26   2.321  -7.076  -5.042
  193   HG22  ILE  26          2HG2      ILE  26   0.814  -6.904  -5.942
  194   HG23  ILE  26          3HG2      ILE  26   2.002  -8.111  -6.433
  195   HD11  ILE  26          3HD1      ILE  26   2.052 -11.774  -4.584
  196   HD12  ILE  26          1HD1      ILE  26   0.475 -11.067  -4.938
  197   HD13  ILE  26          2HD1      ILE  26   0.967 -11.328  -3.266
  198    H    TRP  27           H        TRP  27   1.579  -8.711  -1.374
  199    HA   TRP  27           HA       TRP  27  -0.403 -10.854  -0.775
  200    HB2  TRP  27           2HB      TRP  27   1.739 -11.076   1.030
  201    HB3  TRP  27           1HB      TRP  27   1.418 -12.107  -0.361
  202    HD1  TRP  27           HD       TRP  27   3.225  -8.795   0.467
  203    HE1  TRP  27           1HE      TRP  27   5.234  -8.556  -1.125
  204    HE3  TRP  27           3HE      TRP  27   2.553 -12.939  -2.444
  205    HZ2  TRP  27           2HZ      TRP  27   6.414  -9.938  -3.329
  206    HZ3  TRP  27           3HZ      TRP  27   4.139 -13.454  -4.279
  207    HH2  TRP  27           HH       TRP  27   6.067 -11.960  -4.723
  208    H    THR  28           H        THR  28  -1.327 -11.034   1.286
  209    HA   THR  28           HA       THR  28  -0.698  -9.098   3.373
  210    HB   THR  28           HB       THR  28  -2.350  -8.104   1.506
  211    HG1  THR  28           1HG      THR  28  -1.952  -6.734   3.056
  212   HG21  THR  28          3HG2      THR  28  -4.384  -9.020   3.497
  213   HG22  THR  28          1HG2      THR  28  -3.940 -10.116   2.190
  214   HG23  THR  28          2HG2      THR  28  -4.604  -8.524   1.822
  215    H    PHE  29           H        PHE  29  -3.074  -9.390   4.880
  216    HA   PHE  29           HA       PHE  29  -2.769 -12.199   5.677
  217    HB2  PHE  29           2HB      PHE  29  -3.199  -9.944   7.120
  218    HB3  PHE  29           1HB      PHE  29  -4.855 -10.536   6.970
  219    HD1  PHE  29           2HD      PHE  29  -1.399 -11.765   7.758
  220    HD2  PHE  29           1HD      PHE  29  -5.618 -12.172   8.459
  221    HE1  PHE  29           2HE      PHE  29  -0.946 -13.482   9.488
  222    HE2  PHE  29           1HE      PHE  29  -5.165 -13.890  10.190
  223    HZ   PHE  29           HZ       PHE  29  -2.828 -14.545  10.703
  224    H    ASP  30           H        ASP  30  -5.452 -10.117   4.531
  225    HA   ASP  30           HA       ASP  30  -6.868 -12.642   3.770
  226    HB2  ASP  30           2HB      ASP  30  -7.735 -10.834   5.651
  227    HB3  ASP  30           1HB      ASP  30  -8.557 -10.271   4.196
  228    H    ASN  31           H        ASN  31  -6.403  -9.193   2.981
  229    HA   ASN  31           HA       ASN  31  -7.748  -9.466   0.403
  230    HB2  ASN  31           2HB      ASN  31  -5.877  -7.220   1.128
  231    HB3  ASN  31           1HB      ASN  31  -7.326  -7.169   0.123
  232   HD21  ASN  31          1HD2      ASN  31  -6.348  -5.994   2.972
  233   HD22  ASN  31          2HD2      ASN  31  -7.769  -6.133   3.890
  234    H    ILE  32           H        ILE  32  -5.845  -7.918  -1.152
  235    HA   ILE  32           HA       ILE  32  -3.558  -9.818  -1.386
  236    HB   ILE  32           HB       ILE  32  -4.861  -8.769  -3.873
  237   HG12  ILE  32          2HG1      ILE  32  -6.661  -9.780  -2.409
  238   HG13  ILE  32          1HG1      ILE  32  -6.413 -10.622  -3.938
  239   HG21  ILE  32          1HG2      ILE  32  -3.468 -11.372  -3.174
  240   HG22  ILE  32          2HG2      ILE  32  -2.689  -9.978  -3.924
  241   HG23  ILE  32          3HG2      ILE  32  -3.954 -10.852  -4.789
  242   HD11  ILE  32          3HD1      ILE  32  -5.766 -12.515  -2.896
  243   HD12  ILE  32          1HD1      ILE  32  -6.356 -11.780  -1.405
  244   HD13  ILE  32          2HD1      ILE  32  -4.655 -11.635  -1.845
  245    H    ILE  33           H        ILE  33  -4.740  -6.967  -3.211
  246    HA   ILE  33           HA       ILE  33  -2.006  -5.842  -3.058
  247    HB   ILE  33           HB       ILE  33  -4.184  -4.317  -4.374
  248   HG12  ILE  33          2HG1      ILE  33  -4.709  -6.645  -4.979
  249   HG13  ILE  33          1HG1      ILE  33  -4.105  -5.755  -6.373
  250   HG21  ILE  33          1HG2      ILE  33  -1.364  -4.369  -4.327
  251   HG22  ILE  33          2HG2      ILE  33  -2.397  -3.342  -5.321
  252   HG23  ILE  33          3HG2      ILE  33  -1.832  -4.893  -5.944
  253   HD11  ILE  33          3HD1      ILE  33  -1.865  -6.864  -4.998
  254   HD12  ILE  33          1HD1      ILE  33  -2.451  -7.256  -6.613
  255   HD13  ILE  33          2HD1      ILE  33  -3.054  -8.147  -5.215
  256    H    ARG  34           H        ARG  34  -1.518  -3.999  -1.883
  257    HA   ARG  34           HA       ARG  34  -3.768  -2.480  -0.732
  258    HB2  ARG  34           2HB      ARG  34  -3.100  -4.366   0.861
  259    HB3  ARG  34           1HB      ARG  34  -1.620  -3.440   1.131
  260    HG2  ARG  34           2HG      ARG  34  -2.747  -1.657   2.092
  261    HG3  ARG  34           1HG      ARG  34  -4.252  -2.025   1.267
  262    HD2  ARG  34           2HD      ARG  34  -4.877  -3.625   2.810
  263    HD3  ARG  34           1HD      ARG  34  -3.210  -4.048   3.198
  264    HE   ARG  34           HE       ARG  34  -4.766  -2.234   4.697
  265   HH11  ARG  34          1HH2      ARG  34  -1.613  -3.173   4.149
  266   HH12  ARG  34          2HH2      ARG  34  -0.880  -1.720   4.744
  267   HH21  ARG  34          1HH1      ARG  34  -3.879   0.003   5.001
  268   HH22  ARG  34          2HH1      ARG  34  -2.164   0.077   5.227
  269    H    ARG  35           H        ARG  35  -3.300  -0.510  -1.333
  270    HA   ARG  35           HA       ARG  35  -0.543   0.479  -1.543
  271    HB2  ARG  35           2HB      ARG  35  -3.142   1.980  -1.908
  272    HB3  ARG  35           1HB      ARG  35  -1.549   2.484  -2.461
  273    HG2  ARG  35           2HG      ARG  35  -1.736   1.264  -4.340
  274    HG3  ARG  35           1HG      ARG  35  -2.201  -0.174  -3.432
  275    HD2  ARG  35           2HD      ARG  35  -4.505   1.043  -3.196
  276    HD3  ARG  35           1HD      ARG  35  -3.949   1.992  -4.573
  277    HE   ARG  35           HE       ARG  35  -4.872  -0.738  -4.686
  278   HH11  ARG  35          1HH2      ARG  35  -3.410   1.828  -6.341
  279   HH12  ARG  35          2HH2      ARG  35  -2.869   0.870  -7.679
  280   HH21  ARG  35          1HH1      ARG  35  -3.808  -2.144  -6.245
  281   HH22  ARG  35          2HH1      ARG  35  -3.095  -1.376  -7.625
  282    H    GLY  36           H        GLY  36   0.435   1.670   0.073
  283    HA2  GLY  36           2HA      GLY  36  -1.281   2.997   2.098
  284    HA3  GLY  36           1HA      GLY  36  -0.091   1.834   2.673
  285    H    CYS  37           H        CYS  37   0.432   4.144   3.738
  286    HA   CYS  37           HA       CYS  37   2.235   5.686   1.934
  287    HB2  CYS  37           2HB      CYS  37   1.889   6.573   4.736
  288    HB3  CYS  37           1HB      CYS  37   1.869   7.518   3.251
  289    H    GLY  38           H        GLY  38   4.352   5.108   1.991
  290    HA2  GLY  38           2HA      GLY  38   6.462   4.812   3.121
  291    HA3  GLY  38           1HA      GLY  38   5.573   4.374   4.583
  292    H    CYS  39           H        CYS  39   6.819   2.390   4.674
  293    HA   CYS  39           HA       CYS  39   6.015   0.422   2.580
  294    HB2  CYS  39           2HB      CYS  39   8.366   0.397   4.449
  295    HB3  CYS  39           1HB      CYS  39   7.952  -0.927   3.376
  296    H    PHE  40           H        PHE  40   5.490  -1.763   3.397
  297    HA   PHE  40           HA       PHE  40   3.669  -1.607   5.608
  298    HB2  PHE  40           2HB      PHE  40   3.620  -4.137   5.416
  299    HB3  PHE  40           1HB      PHE  40   3.209  -3.261   3.952
  300    HD1  PHE  40           1HD      PHE  40   6.690  -2.918   4.565
  301    HD2  PHE  40           2HD      PHE  40   3.766  -5.678   3.058
  302    HE1  PHE  40           1HE      PHE  40   8.459  -4.102   3.326
  303    HE2  PHE  40           2HE      PHE  40   5.549  -6.878   1.826
  304    HZ   PHE  40           HZ       PHE  40   7.898  -6.090   1.957
  305    H    THR  41           H        THR  41   3.862  -3.200   7.525
  306    HA   THR  41           HA       THR  41   6.262  -2.462   8.962
  307    HB   THR  41           HB       THR  41   4.228  -4.450   9.937
  308    HG1  THR  41           1HG      THR  41   4.060  -1.622   9.866
  309   HG21  THR  41          3HG2      THR  41   5.453  -2.251  11.542
  310   HG22  THR  41          1HG2      THR  41   6.458  -3.641  11.128
  311   HG23  THR  41          2HG2      THR  41   4.968  -3.871  12.043
  312    HA   PRO  42           HA       PRO  42   7.235  -7.098   8.872
  313    HB2  PRO  42           2HB      PRO  42   5.771  -8.704   7.186
  314    HB3  PRO  42           1HB      PRO  42   5.316  -8.364   8.864
  315    HG2  PRO  42           2HG      PRO  42   4.086  -7.355   6.362
  316    HG3  PRO  42           1HG      PRO  42   3.395  -7.449   7.990
  317    HD2  PRO  42           2HD      PRO  42   4.474  -5.134   6.688
  318    HD3  PRO  42           1HD      PRO  42   3.875  -5.234   8.355
  319    H    ARG  43           H        ARG  43   8.236  -5.107   7.098
  320    HA   ARG  43           HA       ARG  43   8.542  -6.047   4.411
  321    HB2  ARG  43           2HB      ARG  43  10.401  -4.475   4.262
  322    HB3  ARG  43           1HB      ARG  43   9.088  -3.731   5.165
  323    HG2  ARG  43           2HG      ARG  43  10.170  -4.253   7.281
  324    HG3  ARG  43           1HG      ARG  43  11.439  -5.145   6.442
  325    HD2  ARG  43           2HD      ARG  43  11.995  -2.999   5.212
  326    HD3  ARG  43           1HD      ARG  43  10.895  -2.170   6.312
  327    HE   ARG  43           HE       ARG  43  12.405  -2.785   8.165
  328   HH11  ARG  43          1HH2      ARG  43  13.609  -4.991   6.233
  329   HH12  ARG  43          2HH2      ARG  43  15.222  -4.376   6.091
  330   HH21  ARG  43          1HH1      ARG  43  14.438  -1.278   7.443
  331   HH22  ARG  43          2HH1      ARG  43  15.692  -2.271   6.778
  332    H    GLY  44           H        GLY  44  10.917  -6.529   3.613
  333    HA2  GLY  44           2HA      GLY  44  12.933  -7.719   4.954
  334    HA3  GLY  44           1HA      GLY  44  11.701  -8.974   4.994
  335    H    ASP  45           H        ASP  45  13.412 -10.152   3.694
  336    HA   ASP  45           HA       ASP  45  13.653  -9.265   0.883
  337    HB2  ASP  45           2HB      ASP  45  15.066 -11.415   0.749
  338    HB3  ASP  45           1HB      ASP  45  15.694 -10.112   1.760
  339    H    MET  46           H        MET  46  11.350 -10.848   2.604
  340    HA   MET  46           HA       MET  46  10.848 -13.033   0.713
  341    HB2  MET  46           2HB      MET  46   9.898 -12.244   3.357
  342    HB3  MET  46           1HB      MET  46   8.588 -12.782   2.305
  343    HG2  MET  46           2HG      MET  46   9.277 -14.932   2.399
  344    HG3  MET  46           1HG      MET  46  10.951 -14.482   2.074
  345    HE1  MET  46           3HE      MET  46   8.724 -16.105   4.027
  346    HE2  MET  46           1HE      MET  46   9.349 -16.229   5.678
  347    HE3  MET  46           2HE      MET  46  10.255 -16.920   4.335
  348    HA   PRO  47           HA       PRO  47   7.127 -10.248  -0.343
  349    HB2  PRO  47           2HB      PRO  47   7.018  -7.766   0.825
  350    HB3  PRO  47           1HB      PRO  47   6.312  -9.224   1.540
  351    HG2  PRO  47           2HG      PRO  47   8.758  -7.743   2.348
  352    HG3  PRO  47           1HG      PRO  47   7.737  -8.826   3.307
  353    HD2  PRO  47           2HD      PRO  47  10.252  -9.458   2.113
  354    HD3  PRO  47           1HD      PRO  47   9.145 -10.594   2.911
  355    H    GLY  48           H        GLY  48   6.852  -8.672  -2.010
  356    HA2  GLY  48           2HA      GLY  48   9.172  -6.974  -2.666
  357    HA3  GLY  48           1HA      GLY  48   8.599  -8.107  -3.886
  358    HA   PRO  49           HA       PRO  49   4.943  -5.071  -3.214
  359    HB2  PRO  49           2HB      PRO  49   5.299  -3.087  -1.348
  360    HB3  PRO  49           1HB      PRO  49   4.600  -4.670  -0.970
  361    HG2  PRO  49           2HG      PRO  49   7.336  -3.637  -0.373
  362    HG3  PRO  49           1HG      PRO  49   6.354  -4.812   0.510
  363    HD2  PRO  49           2HD      PRO  49   8.486  -5.465  -1.191
  364    HD3  PRO  49           1HD      PRO  49   7.216  -6.591  -0.666
  365    H    TYR  50           H        TYR  50   4.876  -2.298  -3.013
  366    HA   TYR  50           HA       TYR  50   7.159  -1.406  -4.710
  367    HB2  TYR  50           2HB      TYR  50   4.336  -1.567  -5.398
  368    HB3  TYR  50           1HB      TYR  50   4.950   0.081  -5.555
  369    HD1  TYR  50           1HD      TYR  50   7.638  -0.095  -6.417
  370    HD2  TYR  50           2HD      TYR  50   4.365  -2.677  -7.448
  371    HE1  TYR  50           1HE      TYR  50   8.798  -0.728  -8.517
  372    HE2  TYR  50           2HE      TYR  50   5.524  -3.309  -9.547
  373    HH   TYR  50           HH       TYR  50   8.030  -3.360 -10.314
  374    H    CYS  51           H        CYS  51   7.984  -0.449  -2.708
  375    HA   CYS  51           HA       CYS  51   6.432   1.631  -1.323
  376    HB2  CYS  51           2HB      CYS  51   9.322   0.740  -1.255
  377    HB3  CYS  51           1HB      CYS  51   8.765   2.191  -0.418
  378    H    CYS  52           H        CYS  52   5.958   3.369  -2.643
  379    HA   CYS  52           HA       CYS  52   8.089   4.404  -4.448
  380    HB2  CYS  52           2HB      CYS  52   5.895   4.072  -5.480
  381    HB3  CYS  52           1HB      CYS  52   5.143   5.104  -4.272
  382    H    GLU  53           H        GLU  53   8.385   6.782  -4.454
  383    HA   GLU  53           HA       GLU  53   7.877   7.894  -1.748
  384    HB2  GLU  53           2HB      GLU  53  10.270   8.648  -3.392
  385    HB3  GLU  53           1HB      GLU  53   9.971   8.922  -1.668
  386    HG2  GLU  53           2HG      GLU  53  10.331   6.700  -1.098
  387    HG3  GLU  53           1HG      GLU  53   9.988   6.117  -2.727
  388    H    SER  54           H        SER  54   5.891   8.462  -3.113
  389    HA   SER  54           HA       SER  54   6.100  11.312  -3.727
  390    HB2  SER  54           2HB      SER  54   4.654  10.229  -5.932
  391    HB3  SER  54           1HB      SER  54   6.151  11.156  -5.974
  392    HG   SER  54           HG       SER  54   7.305   9.268  -5.823
  393    H    ASP  55           H        ASP  55   3.900  12.257  -3.855
  394    HA   ASP  55           HA       ASP  55   2.086  10.907  -2.068
  395    HB2  ASP  55           2HB      ASP  55   2.026  13.273  -2.051
  396    HB3  ASP  55           1HB      ASP  55   1.815  13.370  -3.798
  397    H    LYS  56           H        LYS  56  -0.027  10.148  -2.552
  398    HA   LYS  56           HA       LYS  56  -1.284   8.516  -3.750
  399    HB2  LYS  56           2HB      LYS  56  -2.460   9.544  -5.596
  400    HB3  LYS  56           1HB      LYS  56  -2.185  10.788  -4.378
  401    HG2  LYS  56           2HG      LYS  56  -0.176  11.539  -5.618
  402    HG3  LYS  56           1HG      LYS  56  -0.504  10.331  -6.860
  403    HD2  LYS  56           2HD      LYS  56  -1.452  12.350  -7.689
  404    HD3  LYS  56           1HD      LYS  56  -2.817  11.414  -7.080
  405    HE2  LYS  56           2HE      LYS  56  -2.951  12.710  -5.086
  406    HE3  LYS  56           1HE      LYS  56  -1.369  13.440  -5.366
  407    HZ1  LYS  56           3HZ      LYS  56  -2.492  15.093  -6.309
  408    HZ2  LYS  56           1HZ      LYS  56  -3.935  14.204  -6.383
  409    HZ3  LYS  56           2HZ      LYS  56  -2.775  14.042  -7.615
  410    H    CYS  57           H        CYS  57   1.578   8.147  -4.095
  411    HA   CYS  57           HA       CYS  57   2.030   7.708  -6.952
  412    HB2  CYS  57           2HB      CYS  57   3.814   8.426  -5.339
  413    HB3  CYS  57           1HB      CYS  57   3.738   6.817  -4.622
  414    H    ASN  58           H        ASN  58   0.754   5.714  -4.371
  415    HA   ASN  58           HA       ASN  58   1.591   3.263  -5.691
  416    HB2  ASN  58           2HB      ASN  58  -0.315   2.391  -3.995
  417    HB3  ASN  58           1HB      ASN  58   1.361   2.632  -3.530
  418   HD21  ASN  58          1HD2      ASN  58   0.268   2.887  -1.332
  419   HD22  ASN  58          2HD2      ASN  58  -0.322   4.423  -0.904
  420    H    LEU  59           H        LEU  59  -0.372   5.375  -6.913
  421    HA   LEU  59           HA       LEU  59  -2.195   3.264  -7.948
  422    HB2  LEU  59           2HB      LEU  59  -3.396   4.677  -6.235
  423    HB3  LEU  59           1HB      LEU  59  -3.128   6.065  -7.289
  424    HG   LEU  59           HG       LEU  59  -4.262   4.763  -9.138
  425   HD11  LEU  59          1HD1      LEU  59  -4.962   2.958  -6.801
  426   HD12  LEU  59          2HD1      LEU  59  -3.990   2.518  -8.206
  427   HD13  LEU  59          3HD1      LEU  59  -5.707   2.872  -8.398
  428   HD21  LEU  59          3HD2      LEU  59  -6.444   5.397  -8.428
  429   HD22  LEU  59          1HD2      LEU  59  -5.358   6.495  -7.581
  430   HD23  LEU  59          2HD2      LEU  59  -6.057   5.118  -6.731
  Start of MODEL   17
    1    H1   ARG   1           1HT      ARG   1   2.968  11.448   3.488
    2    H2   ARG   1           2HT      ARG   1   4.092  12.340   2.588
    3    H3   ARG   1           3HT      ARG   1   2.999  11.304   1.802
    4    HA   ARG   1           HA       ARG   1   2.167  13.650   3.401
    5    HB2  ARG   1           2HB      ARG   1   1.732  13.842   0.526
    6    HB3  ARG   1           1HB      ARG   1   2.427  15.016   1.625
    7    HG2  ARG   1           2HG      ARG   1   4.142  14.521   0.064
    8    HG3  ARG   1           1HG      ARG   1   4.586  13.647   1.520
    9    HD2  ARG   1           2HD      ARG   1   4.214  11.585   0.556
   10    HD3  ARG   1           1HD      ARG   1   2.876  12.160  -0.422
   11    HE   ARG   1           HE       ARG   1   4.929  11.678  -1.823
   12   HH11  ARG   1          1HH1      ARG   1   6.674  13.477  -0.013
   13   HH12  ARG   1          2HH1      ARG   1   6.870  14.855  -1.042
   14   HH21  ARG   1          1HH2      ARG   1   4.298  13.954  -3.188
   15   HH22  ARG   1          2HH2      ARG   1   5.526  15.125  -2.841
   16    H    ILE   2           H        ILE   2   1.038  12.179   0.341
   17    HA   ILE   2           HA       ILE   2  -1.400  11.276   1.825
   18    HB   ILE   2           HB       ILE   2  -1.401  12.617  -0.889
   19   HG12  ILE   2          2HG1      ILE   2  -2.940  14.002   1.041
   20   HG13  ILE   2          1HG1      ILE   2  -1.387  13.621   1.787
   21   HG21  ILE   2          1HG2      ILE   2  -3.646  12.109  -1.010
   22   HG22  ILE   2          2HG2      ILE   2  -3.861  12.177   0.739
   23   HG23  ILE   2          3HG2      ILE   2  -3.146  10.748  -0.007
   24   HD11  ILE   2          3HD1      ILE   2  -0.215  14.983   0.383
   25   HD12  ILE   2          1HD1      ILE   2  -1.773  15.785   0.193
   26   HD13  ILE   2          2HD1      ILE   2  -1.240  14.600  -0.999
   27    H    CYS   3           H        CYS   3  -1.385   9.102   1.625
   28    HA   CYS   3           HA       CYS   3  -0.767   8.109  -1.115
   29    HB2  CYS   3           2HB      CYS   3  -0.199   6.658   1.489
   30    HB3  CYS   3           1HB      CYS   3   0.107   6.018  -0.121
   31    H    TYR   4           H        TYR   4  -1.855   5.883  -1.530
   32    HA   TYR   4           HA       TYR   4  -4.654   6.190  -0.827
   33    HB2  TYR   4           2HB      TYR   4  -3.120   4.318  -2.562
   34    HB3  TYR   4           1HB      TYR   4  -4.686   3.786  -1.970
   35    HD1  TYR   4           1HD      TYR   4  -6.416   5.989  -1.928
   36    HD2  TYR   4           2HD      TYR   4  -3.252   5.202  -4.722
   37    HE1  TYR   4           1HE      TYR   4  -7.561   7.395  -3.618
   38    HE2  TYR   4           2HE      TYR   4  -4.397   6.608  -6.413
   39    HH   TYR   4           HH       TYR   4  -7.095   7.293  -6.712
   40    H    ASN   5           H        ASN   5  -5.884   4.694   0.410
   41    HA   ASN   5           HA       ASN   5  -4.227   3.216   2.397
   42    HB2  ASN   5           2HB      ASN   5  -5.306   4.820   3.651
   43    HB3  ASN   5           1HB      ASN   5  -6.721   4.850   2.603
   44   HD21  ASN   5          1HD2      ASN   5  -5.208   1.953   4.021
   45   HD22  ASN   5          2HD2      ASN   5  -6.558   1.494   4.927
   46    H    HIS   6           H        HIS   6  -7.137   2.934   0.321
   47    HA   HIS   6           HA       HIS   6  -8.008   0.520   1.537
   48    HB2  HIS   6           2HB      HIS   6  -9.078   2.060  -0.401
   49    HB3  HIS   6           1HB      HIS   6  -8.623   0.631  -1.310
   50    HD1  HIS   6           1HD      HIS   6 -10.510   1.523   1.877
   51    HD2  HIS   6           2HD      HIS   6 -10.352  -1.483  -1.009
   52    HE1  HIS   6           1HE      HIS   6 -12.410  -0.069   2.397
   53    H    LEU   7           H        LEU   7  -8.145  -1.562   0.529
   54    HA   LEU   7           HA       LEU   7  -5.462  -2.355  -0.487
   55    HB2  LEU   7           2HB      LEU   7  -6.705  -4.693   0.317
   56    HB3  LEU   7           1HB      LEU   7  -5.557  -3.762   1.276
   57    HG   LEU   7           HG       LEU   7  -8.532  -3.199   1.290
   58   HD11  LEU   7          1HD1      LEU   7  -8.719  -4.528   3.284
   59   HD12  LEU   7          2HD1      LEU   7  -6.977  -4.798   3.335
   60   HD13  LEU   7          3HD1      LEU   7  -7.948  -5.539   2.064
   61   HD21  LEU   7          3HD2      LEU   7  -7.057  -2.587   3.697
   62   HD22  LEU   7          1HD2      LEU   7  -7.956  -1.493   2.647
   63   HD23  LEU   7          2HD2      LEU   7  -6.262  -1.847   2.309
   64    H    GLY   8           H        GLY   8  -5.277  -3.887  -2.140
   65    HA2  GLY   8           2HA      GLY   8  -6.055  -5.327  -3.868
   66    HA3  GLY   8           1HA      GLY   8  -7.694  -4.754  -3.577
   67    H    THR   9           H        THR   9  -6.714  -4.918  -6.173
   68    HA   THR   9           HA       THR   9  -5.515  -2.475  -7.106
   69    HB   THR   9           HB       THR   9  -7.032  -3.568  -9.216
   70    HG1  THR   9           1HG      THR   9  -7.460  -5.353  -7.899
   71   HG21  THR   9          3HG2      THR   9  -4.209  -4.360  -8.516
   72   HG22  THR   9          1HG2      THR   9  -4.600  -2.720  -9.034
   73   HG23  THR   9          2HG2      THR   9  -4.907  -4.082 -10.111
   74    H    LYS  10           H        LYS  10  -8.692  -3.173  -6.038
   75    HA   LYS  10           HA       LYS  10 -10.248  -1.478  -7.711
   76    HB2  LYS  10           2HB      LYS  10 -11.595  -1.163  -5.478
   77    HB3  LYS  10           1HB      LYS  10 -11.511  -2.767  -6.204
   78    HG2  LYS  10           2HG      LYS  10  -9.970  -3.540  -4.625
   79    HG3  LYS  10           1HG      LYS  10  -9.431  -1.911  -4.211
   80    HD2  LYS  10           2HD      LYS  10 -11.093  -1.613  -2.695
   81    HD3  LYS  10           1HD      LYS  10 -12.297  -2.387  -3.724
   82    HE2  LYS  10           2HE      LYS  10 -10.162  -4.060  -2.435
   83    HE3  LYS  10           1HE      LYS  10 -11.564  -3.559  -1.490
   84    HZ1  LYS  10           3HZ      LYS  10 -12.139  -4.601  -4.134
   85    HZ2  LYS  10           1HZ      LYS  10 -12.937  -4.872  -2.662
   86    HZ3  LYS  10           2HZ      LYS  10 -11.518  -5.731  -3.029
   87    HA   PRO  11           HA       PRO  11  -8.953   2.569  -6.599
   88    HB2  PRO  11           2HB      PRO  11 -11.348   3.923  -6.430
   89    HB3  PRO  11           1HB      PRO  11 -10.588   3.453  -7.960
   90    HG2  PRO  11           2HG      PRO  11 -12.922   2.212  -6.558
   91    HG3  PRO  11           1HG      PRO  11 -12.568   2.294  -8.292
   92    HD2  PRO  11           2HD      PRO  11 -12.175   0.037  -6.687
   93    HD3  PRO  11           1HD      PRO  11 -11.396   0.311  -8.259
   94    HA   PRO  12           HA       PRO  12  -9.564   2.136  -2.162
   95    HB2  PRO  12           2HB      PRO  12  -7.079   3.121  -1.504
   96    HB3  PRO  12           1HB      PRO  12  -7.344   1.451  -2.010
   97    HG2  PRO  12           2HG      PRO  12  -6.109   3.660  -3.494
   98    HG3  PRO  12           1HG      PRO  12  -5.915   1.924  -3.723
   99    HD2  PRO  12           2HD      PRO  12  -7.525   3.677  -5.301
  100    HD3  PRO  12           1HD      PRO  12  -7.475   1.905  -5.394
  101    H    THR  13           H        THR  13  -8.762   3.893  -0.308
  102    HA   THR  13           HA       THR  13  -9.720   6.556  -1.308
  103    HB   THR  13           HB       THR  13 -10.562   6.941   0.985
  104    HG1  THR  13           1HG      THR  13  -9.717   4.268   1.410
  105   HG21  THR  13          3HG2      THR  13 -12.511   5.841   0.569
  106   HG22  THR  13          1HG2      THR  13 -11.714   4.274   0.435
  107   HG23  THR  13          2HG2      THR  13 -11.711   5.385  -0.934
  108    H    THR  14           H        THR  14  -8.135   8.111  -1.231
  109    HA   THR  14           HA       THR  14  -5.539   7.588  -0.294
  110    HB   THR  14           HB       THR  14  -5.364  10.171  -0.157
  111    HG1  THR  14           1HG      THR  14  -7.105  11.235  -0.680
  112   HG21  THR  14          3HG2      THR  14  -4.472   9.820  -2.172
  113   HG22  THR  14          1HG2      THR  14  -6.078   9.703  -2.891
  114   HG23  THR  14          2HG2      THR  14  -5.296   8.262  -2.242
  115    H    GLU  15           H        GLU  15  -4.429   8.092   1.527
  116    HA   GLU  15           HA       GLU  15  -5.965   9.074   3.880
  117    HB2  GLU  15           2HB      GLU  15  -4.543   6.450   3.576
  118    HB3  GLU  15           1HB      GLU  15  -4.480   7.260   5.138
  119    HG2  GLU  15           2HG      GLU  15  -6.958   6.375   3.636
  120    HG3  GLU  15           1HG      GLU  15  -6.378   5.780   5.190
  121    H    THR  16           H        THR  16  -4.829  10.905   4.356
  122    HA   THR  16           HA       THR  16  -2.084  11.273   3.607
  123    HB   THR  16           HB       THR  16  -2.537  13.061   5.689
  124    HG1  THR  16           1HG      THR  16  -4.668  12.188   5.853
  125   HG21  THR  16          3HG2      THR  16  -3.130  13.165   2.737
  126   HG22  THR  16          1HG2      THR  16  -1.733  13.814   3.592
  127   HG23  THR  16          2HG2      THR  16  -3.310  14.581   3.772
  128    H    CYS  17           H        CYS  17  -0.232  10.865   4.748
  129    HA   CYS  17           HA       CYS  17  -0.474  10.010   7.589
  130    HB2  CYS  17           2HB      CYS  17   1.191   8.460   5.597
  131    HB3  CYS  17           1HB      CYS  17   0.766   8.001   7.246
  132    H    GLN  18           H        GLN  18   2.175   9.352   8.031
  133    HA   GLN  18           HA       GLN  18   3.448  12.003   7.680
  134    HB2  GLN  18           2HB      GLN  18   3.469  10.945   9.913
  135    HB3  GLN  18           1HB      GLN  18   4.376   9.589   9.253
  136    HG2  GLN  18           2HG      GLN  18   5.847  11.322  10.323
  137    HG3  GLN  18           1HG      GLN  18   6.215  11.036   8.626
  138   HE21  GLN  18          1HE2      GLN  18   5.383  12.655   7.034
  139   HE22  GLN  18          2HE2      GLN  18   5.042  14.239   7.535
  140    H    GLU  19           H        GLU  19   4.054   8.591   6.999
  141    HA   GLU  19           HA       GLU  19   6.627   9.049   5.802
  142    HB2  GLU  19           2HB      GLU  19   5.194   6.808   4.609
  143    HB3  GLU  19           1HB      GLU  19   6.705   6.813   5.508
  144    HG2  GLU  19           2HG      GLU  19   5.147   7.186   7.591
  145    HG3  GLU  19           1HG      GLU  19   3.900   6.517   6.537
  146    H    ASP  20           H        ASP  20   7.077   9.931   3.875
  147    HA   ASP  20           HA       ASP  20   4.891  10.765   2.132
  148    HB2  ASP  20           2HB      ASP  20   7.420  11.002   0.785
  149    HB3  ASP  20           1HB      ASP  20   6.370  12.282   1.381
  150    H    SER  21           H        SER  21   6.536   7.905   2.581
  151    HA   SER  21           HA       SER  21   6.558   7.122  -0.229
  152    HB2  SER  21           2HB      SER  21   6.750   5.132   1.995
  153    HB3  SER  21           1HB      SER  21   7.627   5.177   0.474
  154    HG   SER  21           HG       SER  21   8.671   5.841   2.625
  155    H    CYS  22           H        CYS  22   5.291   4.928  -0.674
  156    HA   CYS  22           HA       CYS  22   2.750   4.825   0.855
  157    HB2  CYS  22           2HB      CYS  22   2.716   4.881  -2.167
  158    HB3  CYS  22           1HB      CYS  22   1.354   5.033  -1.061
  159    H    TYR  23           H        TYR  23   2.233   2.665   1.193
  160    HA   TYR  23           HA       TYR  23   3.804   0.742  -0.441
  161    HB2  TYR  23           2HB      TYR  23   3.588  -0.861   1.319
  162    HB3  TYR  23           1HB      TYR  23   4.080   0.652   2.057
  163    HD1  TYR  23           1HD      TYR  23   1.033  -1.365   1.241
  164    HD2  TYR  23           2HD      TYR  23   2.827   1.564   3.820
  165    HE1  TYR  23           1HE      TYR  23  -0.954  -1.450   2.719
  166    HE2  TYR  23           2HE      TYR  23   0.837   1.480   5.295
  167    HH   TYR  23           HH       TYR  23  -1.122  -0.677   5.619
  168    H    LYS  24           H        LYS  24   2.867  -0.607  -1.727
  169    HA   LYS  24           HA       LYS  24  -0.085  -1.040  -1.633
  170    HB2  LYS  24           2HB      LYS  24   0.147  -0.944  -4.215
  171    HB3  LYS  24           1HB      LYS  24   0.102   0.578  -3.335
  172    HG2  LYS  24           2HG      LYS  24   2.266   1.037  -3.761
  173    HG3  LYS  24           1HG      LYS  24   2.762  -0.628  -3.542
  174    HD2  LYS  24           2HD      LYS  24   2.942  -0.792  -5.763
  175    HD3  LYS  24           1HD      LYS  24   1.182  -0.676  -5.831
  176    HE2  LYS  24           2HE      LYS  24   1.229   1.480  -6.561
  177    HE3  LYS  24           1HE      LYS  24   2.552   1.912  -5.479
  178    HZ1  LYS  24           3HZ      LYS  24   4.127   1.027  -6.964
  179    HZ2  LYS  24           1HZ      LYS  24   3.073   1.947  -7.922
  180    HZ3  LYS  24           2HZ      LYS  24   2.942   0.252  -7.903
  181    H    ASN  25           H        ASN  25   1.011  -2.920  -0.590
  182    HA   ASN  25           HA       ASN  25   1.988  -4.888  -2.607
  183    HB2  ASN  25           2HB      ASN  25   2.873  -6.024  -0.407
  184    HB3  ASN  25           1HB      ASN  25   3.707  -4.645  -1.096
  185   HD21  ASN  25          1HD2      ASN  25   2.921  -2.421  -0.191
  186   HD22  ASN  25          2HD2      ASN  25   2.573  -2.379   1.474
  187    H    ILE  26           H        ILE  26   1.591  -7.244  -1.792
  188    HA   ILE  26           HA       ILE  26  -1.293  -7.614  -1.655
  189    HB   ILE  26           HB       ILE  26  -0.826  -9.874  -2.124
  190   HG12  ILE  26          2HG1      ILE  26   1.834  -9.305  -0.791
  191   HG13  ILE  26          1HG1      ILE  26   0.600 -10.462  -0.290
  192   HG21  ILE  26          1HG2      ILE  26   0.556  -9.727  -4.006
  193   HG22  ILE  26          2HG2      ILE  26   1.703  -8.656  -3.202
  194   HG23  ILE  26          3HG2      ILE  26   0.144  -8.033  -3.741
  195   HD11  ILE  26          3HD1      ILE  26   2.632 -10.662  -2.445
  196   HD12  ILE  26          1HD1      ILE  26   1.056 -11.388  -2.756
  197   HD13  ILE  26          2HD1      ILE  26   2.008 -11.910  -1.365
  198    H    TRP  27           H        TRP  27   1.421  -8.140   0.577
  199    HA   TRP  27           HA       TRP  27   0.216  -9.665   2.556
  200    HB2  TRP  27           2HB      TRP  27   1.925  -7.200   2.965
  201    HB3  TRP  27           1HB      TRP  27   1.622  -8.435   4.190
  202    HD1  TRP  27           HD       TRP  27   3.424  -7.896   0.856
  203    HE1  TRP  27           1HE      TRP  27   5.119  -9.809   0.507
  204    HE3  TRP  27           3HE      TRP  27   2.203 -10.878   4.820
  205    HZ2  TRP  27           2HZ      TRP  27   5.855 -12.284   1.754
  206    HZ3  TRP  27           3HZ      TRP  27   3.414 -13.004   5.214
  207    HH2  TRP  27           HH       TRP  27   5.237 -13.709   3.689
  208    H    THR  28           H        THR  28  -1.913  -9.387   3.085
  209    HA   THR  28           HA       THR  28  -2.659  -6.943   4.532
  210    HB   THR  28           HB       THR  28  -3.064  -6.507   2.055
  211    HG1  THR  28           1HG      THR  28  -4.847  -5.410   2.565
  212   HG21  THR  28          3HG2      THR  28  -5.430  -8.335   2.373
  213   HG22  THR  28          1HG2      THR  28  -3.888  -8.960   1.789
  214   HG23  THR  28          2HG2      THR  28  -4.720  -7.689   0.895
  215    H    PHE  29           H        PHE  29  -5.539  -7.599   4.102
  216    HA   PHE  29           HA       PHE  29  -6.095  -9.167   6.314
  217    HB2  PHE  29           2HB      PHE  29  -7.738  -7.910   4.786
  218    HB3  PHE  29           1HB      PHE  29  -7.765  -9.376   3.804
  219    HD1  PHE  29           1HD      PHE  29  -8.317  -8.088   7.256
  220    HD2  PHE  29           2HD      PHE  29  -9.053 -11.261   4.457
  221    HE1  PHE  29           1HE      PHE  29  -9.925  -9.113   8.841
  222    HE2  PHE  29           2HE      PHE  29 -10.661 -12.287   6.042
  223    HZ   PHE  29           HZ       PHE  29 -11.097 -11.213   8.235
  224    H    ASP  30           H        ASP  30  -6.556 -10.575   3.057
  225    HA   ASP  30           HA       ASP  30  -5.277 -13.066   4.100
  226    HB2  ASP  30           2HB      ASP  30  -8.005 -12.715   3.466
  227    HB3  ASP  30           1HB      ASP  30  -7.315 -13.633   2.127
  228    H    ASN  31           H        ASN  31  -6.631 -11.892   0.991
  229    HA   ASN  31           HA       ASN  31  -3.933 -12.227  -0.212
  230    HB2  ASN  31           2HB      ASN  31  -6.423 -13.730  -0.933
  231    HB3  ASN  31           1HB      ASN  31  -5.307 -13.275  -2.222
  232   HD21  ASN  31          1HD2      ASN  31  -5.963 -15.770  -0.114
  233   HD22  ASN  31          2HD2      ASN  31  -4.416 -16.460  -0.008
  234    H    ILE  32           H        ILE  32  -4.535  -9.761   0.136
  235    HA   ILE  32           HA       ILE  32  -5.596  -8.829  -2.484
  236    HB   ILE  32           HB       ILE  32  -6.463  -7.848   0.241
  237   HG12  ILE  32          2HG1      ILE  32  -8.240  -8.397  -2.079
  238   HG13  ILE  32          1HG1      ILE  32  -7.576  -9.775  -1.195
  239   HG21  ILE  32          1HG2      ILE  32  -6.821  -6.556  -2.470
  240   HG22  ILE  32          2HG2      ILE  32  -5.968  -5.884  -1.084
  241   HG23  ILE  32          3HG2      ILE  32  -7.714  -6.093  -1.023
  242   HD11  ILE  32          3HD1      ILE  32  -9.613  -7.816  -0.347
  243   HD12  ILE  32          1HD1      ILE  32  -8.364  -8.131   0.858
  244   HD13  ILE  32          2HD1      ILE  32  -9.331  -9.461   0.222
  245    H    ILE  33           H        ILE  33  -5.006  -6.508  -2.834
  246    HA   ILE  33           HA       ILE  33  -2.203  -6.103  -2.020
  247    HB   ILE  33           HB       ILE  33  -3.873  -4.162  -3.618
  248   HG12  ILE  33          2HG1      ILE  33  -4.260  -6.399  -4.551
  249   HG13  ILE  33          1HG1      ILE  33  -3.245  -5.449  -5.638
  250   HG21  ILE  33          1HG2      ILE  33  -1.870  -3.154  -3.774
  251   HG22  ILE  33          2HG2      ILE  33  -1.283  -4.557  -4.669
  252   HG23  ILE  33          3HG2      ILE  33  -1.090  -4.485  -2.918
  253   HD11  ILE  33          3HD1      ILE  33  -1.605  -6.835  -3.703
  254   HD12  ILE  33          1HD1      ILE  33  -1.570  -6.945  -5.463
  255   HD13  ILE  33          2HD1      ILE  33  -2.657  -7.982  -4.535
  256    H    ARG  34           H        ARG  34  -1.582  -3.885  -1.073
  257    HA   ARG  34           HA       ARG  34  -3.863  -2.622   0.334
  258    HB2  ARG  34           2HB      ARG  34  -2.556  -4.372   1.786
  259    HB3  ARG  34           1HB      ARG  34  -1.388  -3.056   1.935
  260    HG2  ARG  34           2HG      ARG  34  -2.925  -1.634   2.998
  261    HG3  ARG  34           1HG      ARG  34  -4.301  -2.486   2.321
  262    HD2  ARG  34           2HD      ARG  34  -4.363  -3.251   4.514
  263    HD3  ARG  34           1HD      ARG  34  -3.384  -4.503   3.752
  264    HE   ARG  34           HE       ARG  34  -1.380  -3.094   4.579
  265   HH11  ARG  34          1HH2      ARG  34  -3.892  -1.478   5.839
  266   HH12  ARG  34          2HH2      ARG  34  -3.563  -1.803   7.509
  267   HH21  ARG  34          1HH1      ARG  34  -1.199  -4.249   6.839
  268   HH22  ARG  34          2HH1      ARG  34  -2.038  -3.373   8.074
  269    H    ARG  35           H        ARG  35  -3.795  -0.633  -0.349
  270    HA   ARG  35           HA       ARG  35  -1.229   0.700  -0.938
  271    HB2  ARG  35           2HB      ARG  35  -4.093   1.628  -1.267
  272    HB3  ARG  35           1HB      ARG  35  -2.680   2.556  -1.748
  273    HG2  ARG  35           2HG      ARG  35  -3.100   1.510  -3.755
  274    HG3  ARG  35           1HG      ARG  35  -2.090   0.270  -3.014
  275    HD2  ARG  35           2HD      ARG  35  -4.221  -0.773  -2.115
  276    HD3  ARG  35           1HD      ARG  35  -5.114   0.351  -3.135
  277    HE   ARG  35           HE       ARG  35  -3.594  -1.981  -4.054
  278   HH11  ARG  35          1HH1      ARG  35  -6.070   0.097  -4.773
  279   HH12  ARG  35          2HH1      ARG  35  -5.742   0.218  -6.470
  280   HH21  ARG  35          1HH2      ARG  35  -2.683  -1.408  -6.262
  281   HH22  ARG  35          2HH2      ARG  35  -3.822  -0.635  -7.313
  282    H    GLY  36           H        GLY  36  -0.224   1.752   0.690
  283    HA2  GLY  36           2HA      GLY  36  -1.877   3.276   2.630
  284    HA3  GLY  36           1HA      GLY  36  -0.722   2.108   3.266
  285    H    CYS  37           H        CYS  37   0.235   4.098   4.286
  286    HA   CYS  37           HA       CYS  37   1.904   5.643   2.340
  287    HB2  CYS  37           2HB      CYS  37   1.520   6.496   5.193
  288    HB3  CYS  37           1HB      CYS  37   1.813   7.486   3.765
  289    H    GLY  38           H        GLY  38   3.949   4.797   2.264
  290    HA2  GLY  38           2HA      GLY  38   6.070   4.708   3.626
  291    HA3  GLY  38           1HA      GLY  38   5.127   3.818   4.824
  292    H    CYS  39           H        CYS  39   6.810   2.112   4.402
  293    HA   CYS  39           HA       CYS  39   6.262   0.634   1.872
  294    HB2  CYS  39           2HB      CYS  39   8.569   0.284   3.815
  295    HB3  CYS  39           1HB      CYS  39   8.378  -0.524   2.256
  296    H    PHE  40           H        PHE  40   7.023  -1.877   2.616
  297    HA   PHE  40           HA       PHE  40   4.720  -2.709   4.238
  298    HB2  PHE  40           2HB      PHE  40   6.079  -5.029   3.735
  299    HB3  PHE  40           1HB      PHE  40   4.885  -4.335   2.642
  300    HD1  PHE  40           1HD      PHE  40   5.589  -2.949   0.732
  301    HD2  PHE  40           2HD      PHE  40   8.428  -4.968   3.235
  302    HE1  PHE  40           1HE      PHE  40   7.352  -2.559  -0.967
  303    HE2  PHE  40           2HE      PHE  40  10.199  -4.587   1.531
  304    HZ   PHE  40           HZ       PHE  40   9.661  -3.383  -0.572
  305    H    THR  41           H        THR  41   5.351  -4.705   5.757
  306    HA   THR  41           HA       THR  41   7.177  -3.520   7.736
  307    HB   THR  41           HB       THR  41   5.658  -6.057   8.227
  308    HG1  THR  41           1HG      THR  41   4.068  -4.774   7.462
  309   HG21  THR  41          3HG2      THR  41   6.232  -3.679   9.996
  310   HG22  THR  41          1HG2      THR  41   7.330  -5.050   9.841
  311   HG23  THR  41          2HG2      THR  41   5.708  -5.289  10.488
  312    HA   PRO  42           HA       PRO  42   9.334  -7.673   7.248
  313    HB2  PRO  42           2HB      PRO  42   8.395  -9.472   5.396
  314    HB3  PRO  42           1HB      PRO  42   7.802  -9.390   7.063
  315    HG2  PRO  42           2HG      PRO  42   6.432  -8.592   4.570
  316    HG3  PRO  42           1HG      PRO  42   5.742  -8.908   6.170
  317    HD2  PRO  42           2HD      PRO  42   6.330  -6.359   4.955
  318    HD3  PRO  42           1HD      PRO  42   5.599  -6.646   6.546
  319    H    ARG  43           H        ARG  43   9.811  -5.356   5.718
  320    HA   ARG  43           HA       ARG  43  10.272  -5.722   2.968
  321    HB2  ARG  43           2HB      ARG  43  10.659  -3.548   3.707
  322    HB3  ARG  43           1HB      ARG  43  11.640  -4.062   5.071
  323    HG2  ARG  43           2HG      ARG  43  13.407  -4.787   3.451
  324    HG3  ARG  43           1HG      ARG  43  12.427  -4.128   2.140
  325    HD2  ARG  43           2HD      ARG  43  13.481  -2.548   4.504
  326    HD3  ARG  43           1HD      ARG  43  14.152  -2.512   2.873
  327    HE   ARG  43           HE       ARG  43  11.843  -1.636   2.175
  328   HH11  ARG  43          1HH2      ARG  43  11.948  -1.883   5.504
  329   HH12  ARG  43          2HH2      ARG  43  11.540  -0.231   5.825
  330   HH21  ARG  43          1HH1      ARG  43  11.814   0.758   2.513
  331   HH22  ARG  43          2HH1      ARG  43  11.463   1.264   4.132
  332    H    GLY  44           H        GLY  44  11.748  -6.853   1.808
  333    HA2  GLY  44           2HA      GLY  44  14.335  -7.568   2.578
  334    HA3  GLY  44           1HA      GLY  44  13.285  -8.885   3.099
  335    H    ASP  45           H        ASP  45  14.766  -9.985   1.379
  336    HA   ASP  45           HA       ASP  45  13.888  -9.422  -1.392
  337    HB2  ASP  45           2HB      ASP  45  16.284  -9.792  -1.015
  338    HB3  ASP  45           1HB      ASP  45  15.943 -11.374  -0.313
  339    H    MET  46           H        MET  46  12.849 -11.347   1.169
  340    HA   MET  46           HA       MET  46  12.175 -13.721  -0.356
  341    HB2  MET  46           2HB      MET  46  11.963 -12.861   2.390
  342    HB3  MET  46           1HB      MET  46  10.443 -13.579   1.854
  343    HG2  MET  46           2HG      MET  46  11.361 -15.656   1.596
  344    HG3  MET  46           1HG      MET  46  12.901 -15.016   1.025
  345    HE1  MET  46           3HE      MET  46  11.475 -15.864   5.257
  346    HE2  MET  46           1HE      MET  46  11.304 -16.932   3.857
  347    HE3  MET  46           2HE      MET  46  10.489 -15.370   3.883
  348    HA   PRO  47           HA       PRO  47   7.850 -11.809  -0.593
  349    HB2  PRO  47           2HB      PRO  47   7.395  -9.411   0.664
  350    HB3  PRO  47           1HB      PRO  47   7.228 -10.974   1.472
  351    HG2  PRO  47           2HG      PRO  47   9.363  -8.931   1.784
  352    HG3  PRO  47           1HG      PRO  47   8.848 -10.196   2.911
  353    HD2  PRO  47           2HD      PRO  47  11.136 -10.255   1.204
  354    HD3  PRO  47           1HD      PRO  47  10.515 -11.585   2.197
  355    H    GLY  48           H        GLY  48   6.880 -10.055  -2.012
  356    HA2  GLY  48           2HA      GLY  48   8.934  -8.233  -3.123
  357    HA3  GLY  48           1HA      GLY  48   8.001  -9.251  -4.210
  358    HA   PRO  49           HA       PRO  49   4.762  -6.242  -2.498
  359    HB2  PRO  49           2HB      PRO  49   5.387  -4.726  -0.315
  360    HB3  PRO  49           1HB      PRO  49   4.734  -6.361  -0.191
  361    HG2  PRO  49           2HG      PRO  49   7.515  -5.421   0.297
  362    HG3  PRO  49           1HG      PRO  49   6.673  -6.825   0.968
  363    HD2  PRO  49           2HD      PRO  49   8.562  -6.863  -1.151
  364    HD3  PRO  49           1HD      PRO  49   7.499  -8.187  -0.655
  365    H    TYR  50           H        TYR  50   4.588  -3.589  -2.229
  366    HA   TYR  50           HA       TYR  50   6.976  -2.445  -3.599
  367    HB2  TYR  50           2HB      TYR  50   4.249  -2.693  -4.588
  368    HB3  TYR  50           1HB      TYR  50   4.809  -1.019  -4.600
  369    HD1  TYR  50           2HD      TYR  50   5.576  -4.461  -5.771
  370    HD2  TYR  50           1HD      TYR  50   6.543  -0.286  -6.083
  371    HE1  TYR  50           2HE      TYR  50   6.977  -4.933  -7.762
  372    HE2  TYR  50           1HE      TYR  50   7.943  -0.760  -8.073
  373    HH   TYR  50           HH       TYR  50   7.750  -3.196  -9.918
  374    H    CYS  51           H        CYS  51   7.383  -0.280  -3.275
  375    HA   CYS  51           HA       CYS  51   5.775   1.253  -1.251
  376    HB2  CYS  51           2HB      CYS  51   7.967   0.087  -0.336
  377    HB3  CYS  51           1HB      CYS  51   8.787   1.329  -1.274
  378    H    CYS  52           H        CYS  52   5.711   3.428  -1.846
  379    HA   CYS  52           HA       CYS  52   7.433   4.248  -4.142
  380    HB2  CYS  52           2HB      CYS  52   5.200   3.659  -5.010
  381    HB3  CYS  52           1HB      CYS  52   4.467   4.825  -3.919
  382    H    GLU  53           H        GLU  53   7.595   6.582  -4.345
  383    HA   GLU  53           HA       GLU  53   7.098   7.948  -1.736
  384    HB2  GLU  53           2HB      GLU  53   9.314   8.756  -3.606
  385    HB3  GLU  53           1HB      GLU  53   9.165   9.045  -1.871
  386    HG2  GLU  53           2HG      GLU  53  10.538   7.255  -1.643
  387    HG3  GLU  53           1HG      GLU  53   9.100   6.298  -1.998
  388    H    SER  54           H        SER  54   5.005   8.314  -3.043
  389    HA   SER  54           HA       SER  54   5.102  11.047  -4.066
  390    HB2  SER  54           2HB      SER  54   3.620   9.573  -6.034
  391    HB3  SER  54           1HB      SER  54   5.028  10.604  -6.274
  392    HG   SER  54           HG       SER  54   6.306   8.892  -6.214
  393    H    ASP  55           H        ASP  55   2.969  11.980  -3.991
  394    HA   ASP  55           HA       ASP  55   1.220  10.662  -2.128
  395    HB2  ASP  55           2HB      ASP  55   0.179  12.846  -3.872
  396    HB3  ASP  55           1HB      ASP  55  -0.038  12.592  -2.144
  397    H    LYS  56           H        LYS  56  -0.614   9.496  -2.497
  398    HA   LYS  56           HA       LYS  56  -2.085   8.099  -3.690
  399    HB2  LYS  56           2HB      LYS  56  -2.996  10.256  -4.443
  400    HB3  LYS  56           1HB      LYS  56  -1.791  10.327  -5.728
  401    HG2  LYS  56           2HG      LYS  56  -3.020   7.801  -5.960
  402    HG3  LYS  56           1HG      LYS  56  -4.329   8.954  -5.706
  403    HD2  LYS  56           2HD      LYS  56  -2.658  10.269  -7.490
  404    HD3  LYS  56           1HD      LYS  56  -2.597   8.594  -8.036
  405    HE2  LYS  56           2HE      LYS  56  -4.487   9.324  -9.163
  406    HE3  LYS  56           1HE      LYS  56  -5.218   8.723  -7.673
  407    HZ1  LYS  56           3HZ      LYS  56  -4.819  11.472  -8.573
  408    HZ2  LYS  56           1HZ      LYS  56  -4.683  11.172  -6.909
  409    HZ3  LYS  56           2HZ      LYS  56  -6.122  10.785  -7.727
  410    H    CYS  57           H        CYS  57   0.729   7.528  -3.891
  411    HA   CYS  57           HA       CYS  57   1.241   6.914  -6.723
  412    HB2  CYS  57           2HB      CYS  57   2.972   7.643  -4.932
  413    HB3  CYS  57           1HB      CYS  57   2.915   5.961  -4.411
  414    H    ASN  58           H        ASN  58   0.167   5.174  -3.839
  415    HA   ASN  58           HA       ASN  58   0.737   2.539  -4.412
  416    HB2  ASN  58           2HB      ASN  58  -2.119   3.090  -3.781
  417    HB3  ASN  58           1HB      ASN  58  -1.012   1.944  -3.042
  418   HD21  ASN  58          1HD2      ASN  58  -0.380   2.503  -0.996
  419   HD22  ASN  58          2HD2      ASN  58  -0.408   4.072  -0.345
  420    H    LEU  59           H        LEU  59  -1.407   4.655  -6.185
  421    HA   LEU  59           HA       LEU  59  -2.328   2.351  -7.813
  422    HB2  LEU  59           2HB      LEU  59  -3.395   5.013  -7.153
  423    HB3  LEU  59           1HB      LEU  59  -3.565   4.582  -8.856
  424    HG   LEU  59           HG       LEU  59  -5.531   3.798  -7.657
  425   HD11  LEU  59          1HD1      LEU  59  -4.243   1.180  -7.852
  426   HD12  LEU  59          2HD1      LEU  59  -3.876   2.213  -9.234
  427   HD13  LEU  59          3HD1      LEU  59  -5.553   1.859  -8.819
  428   HD21  LEU  59          3HD2      LEU  59  -5.474   2.670  -5.641
  429   HD22  LEU  59          1HD2      LEU  59  -3.979   3.587  -5.475
  430   HD23  LEU  59          2HD2      LEU  59  -3.927   1.903  -5.992
  Start of MODEL   18
    1    H1   ARG   1           1HT      ARG   1   2.270  11.312   3.349
    2    H2   ARG   1           2HT      ARG   1   3.149  12.674   3.853
    3    H3   ARG   1           3HT      ARG   1   3.506  11.932   2.372
    4    HA   ARG   1           HA       ARG   1   1.445  13.814   3.074
    5    HB2  ARG   1           2HB      ARG   1   1.797  14.590   0.838
    6    HB3  ARG   1           1HB      ARG   1   3.378  14.188   1.491
    7    HG2  ARG   1           2HG      ARG   1   1.883  12.140  -0.098
    8    HG3  ARG   1           1HG      ARG   1   2.716  13.426  -0.918
    9    HD2  ARG   1           2HD      ARG   1   4.583  12.250  -0.777
   10    HD3  ARG   1           1HD      ARG   1   4.557  12.482   0.964
   11    HE   ARG   1           HE       ARG   1   4.404  10.003  -0.144
   12   HH11  ARG   1          1HH2      ARG   1   1.377  10.562  -0.284
   13   HH12  ARG   1          2HH2      ARG   1   0.840   9.894   1.207
   14   HH21  ARG   1          1HH1      ARG   1   3.984   9.572   2.537
   15   HH22  ARG   1          2HH1      ARG   1   2.294   9.325   2.774
   16    H    ILE   2           H        ILE   2   0.339  13.075   0.122
   17    HA   ILE   2           HA       ILE   2  -1.826  11.415   1.293
   18    HB   ILE   2           HB       ILE   2  -1.529  12.845  -1.347
   19   HG12  ILE   2          2HG1      ILE   2  -3.753  13.779  -0.161
   20   HG13  ILE   2          1HG1      ILE   2  -2.873  13.221   1.265
   21   HG21  ILE   2          1HG2      ILE   2  -3.980  12.174  -1.625
   22   HG22  ILE   2          2HG2      ILE   2  -3.692  10.966  -0.371
   23   HG23  ILE   2          3HG2      ILE   2  -2.800  10.891  -1.891
   24   HD11  ILE   2          3HD1      ILE   2  -1.143  14.740   0.970
   25   HD12  ILE   2          1HD1      ILE   2  -2.502  15.679   0.353
   26   HD13  ILE   2          2HD1      ILE   2  -1.412  14.864  -0.769
   27    H    CYS   3           H        CYS   3  -1.368   9.206   1.321
   28    HA   CYS   3           HA       CYS   3  -0.069   8.113  -1.098
   29    HB2  CYS   3           2HB      CYS   3  -0.773   6.720   1.499
   30    HB3  CYS   3           1HB      CYS   3   0.047   5.960   0.149
   31    H    TYR   4           H        TYR   4  -1.055   5.684  -1.497
   32    HA   TYR   4           HA       TYR   4  -3.900   6.207  -2.195
   33    HB2  TYR   4           2HB      TYR   4  -1.732   4.823  -3.479
   34    HB3  TYR   4           1HB      TYR   4  -3.031   3.676  -3.171
   35    HD1  TYR   4           2HD      TYR   4  -5.423   4.358  -3.880
   36    HD2  TYR   4           1HD      TYR   4  -1.876   6.362  -5.240
   37    HE1  TYR   4           2HE      TYR   4  -6.683   5.301  -5.794
   38    HE2  TYR   4           1HE      TYR   4  -3.134   7.305  -7.151
   39    HH   TYR   4           HH       TYR   4  -6.633   6.808  -7.465
   40    H    ASN   5           H        ASN   5  -5.532   5.007  -1.278
   41    HA   ASN   5           HA       ASN   5  -4.726   2.965   0.747
   42    HB2  ASN   5           2HB      ASN   5  -5.729   4.887   1.829
   43    HB3  ASN   5           1HB      ASN   5  -7.084   4.875   0.704
   44   HD21  ASN   5          1HD2      ASN   5  -5.808   1.830   1.924
   45   HD22  ASN   5          2HD2      ASN   5  -7.129   1.474   2.923
   46    H    HIS   6           H        HIS   6  -5.376   2.664  -2.209
   47    HA   HIS   6           HA       HIS   6  -7.967   1.477  -2.462
   48    HB2  HIS   6           2HB      HIS   6  -7.203   1.782  -4.566
   49    HB3  HIS   6           1HB      HIS   6  -5.531   1.686  -4.084
   50    HD1  HIS   6           1HD      HIS   6  -7.598   0.118  -6.338
   51    HD2  HIS   6           2HD      HIS   6  -5.184  -1.446  -3.323
   52    HE1  HIS   6           1HE      HIS   6  -7.115  -2.279  -6.977
   53    H    LEU   7           H        LEU   7  -8.684  -0.566  -2.071
   54    HA   LEU   7           HA       LEU   7  -6.791  -2.381  -0.642
   55    HB2  LEU   7           2HB      LEU   7  -9.730  -1.860  -0.435
   56    HB3  LEU   7           1HB      LEU   7  -9.131  -3.464  -0.016
   57    HG   LEU   7           HG       LEU   7  -9.239  -1.827   1.915
   58   HD11  LEU   7          1HD1      LEU   7  -7.830  -3.487   2.568
   59   HD12  LEU   7          2HD1      LEU   7  -6.563  -2.293   2.288
   60   HD13  LEU   7          3HD1      LEU   7  -6.954  -3.474   1.038
   61   HD21  LEU   7          3HD2      LEU   7  -8.364   0.066   0.378
   62   HD22  LEU   7          1HD2      LEU   7  -6.767  -0.625   0.668
   63   HD23  LEU   7          2HD2      LEU   7  -7.723  -0.016   2.018
   64    H    GLY   8           H        GLY   8  -6.017  -4.010  -1.923
   65    HA2  GLY   8           2HA      GLY   8  -5.945  -5.419  -3.846
   66    HA3  GLY   8           1HA      GLY   8  -7.251  -6.156  -2.932
   67    H    THR   9           H        THR   9  -8.975  -6.568  -4.208
   68    HA   THR   9           HA       THR   9  -9.379  -4.979  -6.669
   69    HB   THR   9           HB       THR   9  -9.521  -7.472  -6.715
   70    HG1  THR   9           1HG      THR   9 -11.867  -7.337  -7.558
   71   HG21  THR   9          3HG2      THR   9 -12.171  -7.256  -5.326
   72   HG22  THR   9          1HG2      THR   9 -10.699  -7.393  -4.363
   73   HG23  THR   9          2HG2      THR   9 -11.122  -8.660  -5.514
   74    H    LYS  10           H        LYS  10 -10.029  -4.068  -3.787
   75    HA   LYS  10           HA       LYS  10 -12.954  -3.702  -3.944
   76    HB2  LYS  10           2HB      LYS  10 -11.236  -2.295  -1.925
   77    HB3  LYS  10           1HB      LYS  10 -12.831  -3.023  -1.726
   78    HG2  LYS  10           2HG      LYS  10 -11.180  -5.170  -2.427
   79    HG3  LYS  10           1HG      LYS  10 -10.213  -4.216  -1.306
   80    HD2  LYS  10           2HD      LYS  10 -11.468  -5.718   0.053
   81    HD3  LYS  10           1HD      LYS  10 -12.273  -4.156   0.202
   82    HE2  LYS  10           2HE      LYS  10 -14.158  -4.913  -0.794
   83    HE3  LYS  10           1HE      LYS  10 -13.254  -5.731  -2.067
   84    HZ1  LYS  10           3HZ      LYS  10 -12.667  -7.343  -0.117
   85    HZ2  LYS  10           1HZ      LYS  10 -14.129  -7.503  -0.961
   86    HZ3  LYS  10           2HZ      LYS  10 -14.105  -6.732   0.553
   87    HA   PRO  11           HA       PRO  11 -12.797   0.421  -5.497
   88    HB2  PRO  11           2HB      PRO  11 -13.761   2.162  -3.591
   89    HB3  PRO  11           1HB      PRO  11 -14.782   1.060  -4.532
   90    HG2  PRO  11           2HG      PRO  11 -13.939   0.863  -1.683
   91    HG3  PRO  11           1HG      PRO  11 -15.370   0.188  -2.478
   92    HD2  PRO  11           2HD      PRO  11 -13.027  -1.227  -1.782
   93    HD3  PRO  11           1HD      PRO  11 -14.318  -1.818  -2.851
   94    HA   PRO  12           HA       PRO  12  -8.861   1.930  -4.132
   95    HB2  PRO  12           2HB      PRO  12  -8.433   3.608  -6.267
   96    HB3  PRO  12           1HB      PRO  12  -8.200   1.855  -6.334
   97    HG2  PRO  12           2HG      PRO  12 -10.412   3.499  -7.468
   98    HG3  PRO  12           1HG      PRO  12  -9.797   1.926  -8.002
   99    HD2  PRO  12           2HD      PRO  12 -12.152   2.357  -6.491
  100    HD3  PRO  12           1HD      PRO  12 -11.346   0.794  -6.746
  101    H    THR  13           H        THR  13  -8.457   3.508  -2.666
  102    HA   THR  13           HA       THR  13  -9.549   6.228  -3.157
  103    HB   THR  13           HB       THR  13 -11.173   5.919  -1.608
  104    HG1  THR  13           1HG      THR  13  -9.932   7.090  -0.275
  105   HG21  THR  13          3HG2      THR  13 -11.086   3.974   0.038
  106   HG22  THR  13          1HG2      THR  13  -9.606   3.471  -0.777
  107   HG23  THR  13          2HG2      THR  13 -11.127   3.529  -1.668
  108    H    THR  14           H        THR  14  -8.148   7.836  -2.389
  109    HA   THR  14           HA       THR  14  -5.546   6.831  -1.371
  110    HB   THR  14           HB       THR  14  -4.930   9.339  -1.762
  111    HG1  THR  14           1HG      THR  14  -6.737  10.348  -2.237
  112   HG21  THR  14          3HG2      THR  14  -3.847   8.107  -3.316
  113   HG22  THR  14          1HG2      THR  14  -5.132   8.629  -4.406
  114   HG23  THR  14          2HG2      THR  14  -5.243   7.068  -3.593
  115    H    GLU  15           H        GLU  15  -4.494   8.127   0.369
  116    HA   GLU  15           HA       GLU  15  -6.380   9.554   2.157
  117    HB2  GLU  15           2HB      GLU  15  -5.568   8.183   4.107
  118    HB3  GLU  15           1HB      GLU  15  -6.547   7.271   2.958
  119    HG2  GLU  15           2HG      GLU  15  -4.733   5.834   3.278
  120    HG3  GLU  15           1HG      GLU  15  -4.238   6.724   1.837
  121    H    THR  16           H        THR  16  -4.968  10.303   4.189
  122    HA   THR  16           HA       THR  16  -2.372  11.265   3.058
  123    HB   THR  16           HB       THR  16  -3.381  12.769   5.353
  124    HG1  THR  16           1HG      THR  16  -5.331  13.094   4.702
  125   HG21  THR  16          3HG2      THR  16  -2.166  14.319   4.274
  126   HG22  THR  16          1HG2      THR  16  -3.243  14.229   2.881
  127   HG23  THR  16          2HG2      THR  16  -1.857  13.146   2.994
  128    H    CYS  17           H        CYS  17  -0.536  11.007   4.293
  129    HA   CYS  17           HA       CYS  17  -0.835   9.915   7.046
  130    HB2  CYS  17           2HB      CYS  17  -0.385   8.235   4.951
  131    HB3  CYS  17           1HB      CYS  17   1.270   8.662   5.385
  132    H    GLN  18           H        GLN  18   1.661   9.626   7.866
  133    HA   GLN  18           HA       GLN  18   2.834  12.314   7.445
  134    HB2  GLN  18           2HB      GLN  18   2.545  11.489   9.765
  135    HB3  GLN  18           1HB      GLN  18   3.646  10.161   9.409
  136    HG2  GLN  18           2HG      GLN  18   4.783  12.136  10.484
  137    HG3  GLN  18           1HG      GLN  18   5.451  11.692   8.920
  138   HE21  GLN  18          1HE2      GLN  18   4.779  13.034   7.017
  139   HE22  GLN  18          2HE2      GLN  18   4.246  14.627   7.250
  140    H    GLU  19           H        GLU  19   3.768   8.897   7.309
  141    HA   GLU  19           HA       GLU  19   6.463   9.429   6.462
  142    HB2  GLU  19           2HB      GLU  19   5.440   7.008   5.223
  143    HB3  GLU  19           1HB      GLU  19   6.710   7.168   6.425
  144    HG2  GLU  19           2HG      GLU  19   3.726   7.084   6.986
  145    HG3  GLU  19           1HG      GLU  19   4.877   5.787   7.301
  146    H    ASP  20           H        ASP  20   7.071  10.309   4.558
  147    HA   ASP  20           HA       ASP  20   5.164  10.868   2.471
  148    HB2  ASP  20           2HB      ASP  20   7.754  10.815   1.298
  149    HB3  ASP  20           1HB      ASP  20   6.766  12.211   1.700
  150    H    SER  21           H        SER  21   6.754   8.046   3.387
  151    HA   SER  21           HA       SER  21   6.980   6.906   0.740
  152    HB2  SER  21           2HB      SER  21   6.890   4.980   2.915
  153    HB3  SER  21           1HB      SER  21   8.203   5.332   1.795
  154    HG   SER  21           HG       SER  21   7.715   6.280   4.341
  155    H    CYS  22           H        CYS  22   5.463   5.476  -0.222
  156    HA   CYS  22           HA       CYS  22   2.955   4.974   1.312
  157    HB2  CYS  22           2HB      CYS  22   3.139   5.503  -1.671
  158    HB3  CYS  22           1HB      CYS  22   1.673   5.279  -0.728
  159    H    TYR  23           H        TYR  23   2.877   2.809   1.613
  160    HA   TYR  23           HA       TYR  23   4.283   1.175  -0.416
  161    HB2  TYR  23           2HB      TYR  23   4.949  -0.326   1.194
  162    HB3  TYR  23           1HB      TYR  23   5.011   1.198   2.057
  163    HD1  TYR  23           1HD      TYR  23   2.062   1.618   2.619
  164    HD2  TYR  23           2HD      TYR  23   4.519  -1.898   2.869
  165    HE1  TYR  23           1HE      TYR  23   0.547   0.677   4.333
  166    HE2  TYR  23           2HE      TYR  23   2.996  -2.837   4.581
  167    HH   TYR  23           HH       TYR  23   0.621  -2.568   5.272
  168    H    LYS  24           H        LYS  24   3.361  -0.274  -1.503
  169    HA   LYS  24           HA       LYS  24   0.591  -1.089  -0.797
  170    HB2  LYS  24           2HB      LYS  24   0.177   0.242  -2.641
  171    HB3  LYS  24           1HB      LYS  24   1.725  -0.124  -3.385
  172    HG2  LYS  24           2HG      LYS  24   0.764  -2.543  -3.606
  173    HG3  LYS  24           1HG      LYS  24  -0.794  -1.747  -3.361
  174    HD2  LYS  24           2HD      LYS  24   0.895  -0.291  -5.221
  175    HD3  LYS  24           1HD      LYS  24   0.581  -1.939  -5.767
  176    HE2  LYS  24           2HE      LYS  24  -1.858  -0.935  -4.727
  177    HE3  LYS  24           1HE      LYS  24  -1.195   0.318  -5.776
  178    HZ1  LYS  24           3HZ      LYS  24  -2.313  -2.216  -6.470
  179    HZ2  LYS  24           1HZ      LYS  24  -0.765  -2.017  -7.132
  180    HZ3  LYS  24           2HZ      LYS  24  -1.980  -0.876  -7.459
  181    H    ASN  25           H        ASN  25   0.713  -3.078  -0.177
  182    HA   ASN  25           HA       ASN  25   2.609  -4.939  -1.532
  183    HB2  ASN  25           2HB      ASN  25   2.326  -6.065   0.893
  184    HB3  ASN  25           1HB      ASN  25   3.526  -4.823   0.581
  185   HD21  ASN  25          1HD2      ASN  25   2.561  -2.461   0.842
  186   HD22  ASN  25          2HD2      ASN  25   1.583  -2.222   2.206
  187    H    ILE  26           H        ILE  26   1.936  -7.240  -1.420
  188    HA   ILE  26           HA       ILE  26  -0.973  -7.490  -1.895
  189    HB   ILE  26           HB       ILE  26  -0.459  -9.595  -2.915
  190   HG12  ILE  26          2HG1      ILE  26   2.109 -10.279  -2.740
  191   HG13  ILE  26          1HG1      ILE  26   2.004  -9.376  -1.228
  192   HG21  ILE  26          1HG2      ILE  26   1.667  -7.509  -3.439
  193   HG22  ILE  26          2HG2      ILE  26   0.204  -7.825  -4.372
  194   HG23  ILE  26          3HG2      ILE  26   1.537  -8.980  -4.401
  195   HD11  ILE  26          3HD1      ILE  26   1.121 -11.229  -0.292
  196   HD12  ILE  26          1HD1      ILE  26   0.962 -12.015  -1.863
  197   HD13  ILE  26          2HD1      ILE  26  -0.314 -10.949  -1.276
  198    H    TRP  27           H        TRP  27   1.472  -8.339   0.433
  199    HA   TRP  27           HA       TRP  27   0.114 -10.451   1.796
  200    HB2  TRP  27           2HB      TRP  27   1.856  -8.354   3.092
  201    HB3  TRP  27           1HB      TRP  27   1.619 -10.023   3.611
  202    HD1  TRP  27           HD       TRP  27   3.655  -7.891   1.264
  203    HE1  TRP  27           1HE      TRP  27   5.359  -9.373   0.011
  204    HE3  TRP  27           3HE      TRP  27   1.955 -12.515   2.605
  205    HZ2  TRP  27           2HZ      TRP  27   5.916 -12.152  -0.373
  206    HZ3  TRP  27           3HZ      TRP  27   3.088 -14.559   1.784
  207    HH2  TRP  27           HH       TRP  27   5.065 -14.384   0.297
  208    H    THR  28           H        THR  28  -1.700 -10.363   3.065
  209    HA   THR  28           HA       THR  28  -2.309  -7.949   4.596
  210    HB   THR  28           HB       THR  28  -3.145  -7.541   2.230
  211    HG1  THR  28           1HG      THR  28  -4.003  -6.639   4.277
  212   HG21  THR  28          3HG2      THR  28  -4.562  -8.996   1.246
  213   HG22  THR  28          1HG2      THR  28  -5.581  -9.082   2.682
  214   HG23  THR  28          2HG2      THR  28  -4.162 -10.119   2.546
  215    H    PHE  29           H        PHE  29  -5.177  -8.701   4.743
  216    HA   PHE  29           HA       PHE  29  -4.820 -11.151   6.416
  217    HB2  PHE  29           2HB      PHE  29  -5.754  -8.684   7.174
  218    HB3  PHE  29           1HB      PHE  29  -7.255  -9.538   6.818
  219    HD1  PHE  29           2HD      PHE  29  -4.152  -9.611   8.848
  220    HD2  PHE  29           1HD      PHE  29  -8.021 -11.356   8.186
  221    HE1  PHE  29           2HE      PHE  29  -3.967 -10.839  10.995
  222    HE2  PHE  29           1HE      PHE  29  -7.836 -12.583  10.333
  223    HZ   PHE  29           HZ       PHE  29  -5.808 -12.324  11.737
  224    H    ASP  30           H        ASP  30  -7.718  -9.603   5.017
  225    HA   ASP  30           HA       ASP  30  -8.415 -12.269   3.860
  226    HB2  ASP  30           2HB      ASP  30  -9.916 -10.358   5.433
  227    HB3  ASP  30           1HB      ASP  30 -10.707 -10.629   3.880
  228    H    ASN  31           H        ASN  31  -7.726  -8.967   3.153
  229    HA   ASN  31           HA       ASN  31  -9.002  -9.063   0.499
  230    HB2  ASN  31           2HB      ASN  31  -7.127  -6.939   1.566
  231    HB3  ASN  31           1HB      ASN  31  -8.315  -6.779   0.272
  232   HD21  ASN  31          1HD2      ASN  31 -10.683  -7.301   1.046
  233   HD22  ASN  31          2HD2      ASN  31 -11.116  -6.707   2.575
  234    H    ILE  32           H        ILE  32  -6.460  -7.392  -0.374
  235    HA   ILE  32           HA       ILE  32  -4.485  -9.552  -0.612
  236    HB   ILE  32           HB       ILE  32  -5.721 -10.252  -2.467
  237   HG12  ILE  32          2HG1      ILE  32  -4.496  -9.433  -4.489
  238   HG13  ILE  32          1HG1      ILE  32  -3.773  -8.174  -3.490
  239   HG21  ILE  32          1HG2      ILE  32  -7.204  -9.004  -3.652
  240   HG22  ILE  32          2HG2      ILE  32  -6.109  -7.628  -3.769
  241   HG23  ILE  32          3HG2      ILE  32  -7.044  -7.889  -2.297
  242   HD11  ILE  32          3HD1      ILE  32  -3.456 -11.168  -3.173
  243   HD12  ILE  32          1HD1      ILE  32  -2.912 -10.000  -1.969
  244   HD13  ILE  32          2HD1      ILE  32  -2.201  -9.998  -3.582
  245    H    ILE  33           H        ILE  33  -5.149  -6.612  -2.544
  246    HA   ILE  33           HA       ILE  33  -2.372  -5.744  -2.031
  247    HB   ILE  33           HB       ILE  33  -4.364  -4.107  -3.565
  248   HG12  ILE  33          2HG1      ILE  33  -4.572  -6.525  -4.255
  249   HG13  ILE  33          1HG1      ILE  33  -4.038  -5.446  -5.543
  250   HG21  ILE  33          1HG2      ILE  33  -2.386  -2.983  -3.712
  251   HG22  ILE  33          2HG2      ILE  33  -2.042  -4.163  -4.977
  252   HG23  ILE  33          3HG2      ILE  33  -1.429  -4.419  -3.344
  253   HD11  ILE  33          3HD1      ILE  33  -1.761  -6.134  -5.295
  254   HD12  ILE  33          1HD1      ILE  33  -2.720  -7.614  -5.310
  255   HD13  ILE  33          2HD1      ILE  33  -2.112  -6.973  -3.784
  256    H    ARG  34           H        ARG  34  -1.852  -3.869  -0.901
  257    HA   ARG  34           HA       ARG  34  -4.074  -2.281   0.230
  258    HB2  ARG  34           2HB      ARG  34  -3.390  -4.197   1.820
  259    HB3  ARG  34           1HB      ARG  34  -1.924  -3.247   2.085
  260    HG2  ARG  34           2HG      ARG  34  -3.193  -1.349   2.819
  261    HG3  ARG  34           1HG      ARG  34  -4.702  -2.098   2.334
  262    HD2  ARG  34           2HD      ARG  34  -4.774  -3.483   4.160
  263    HD3  ARG  34           1HD      ARG  34  -3.019  -3.613   4.258
  264    HE   ARG  34           HE       ARG  34  -3.351  -1.043   5.013
  265   HH11  ARG  34          1HH1      ARG  34  -6.184  -2.579   5.435
  266   HH12  ARG  34          2HH1      ARG  34  -6.170  -2.614   7.167
  267   HH21  ARG  34          1HH2      ARG  34  -2.848  -1.652   7.422
  268   HH22  ARG  34          2HH2      ARG  34  -4.280  -2.091   8.292
  269    H    ARG  35           H        ARG  35  -3.557  -0.298  -0.320
  270    HA   ARG  35           HA       ARG  35  -0.723   0.544  -0.460
  271    HB2  ARG  35           2HB      ARG  35  -3.247   1.934  -1.392
  272    HB3  ARG  35           1HB      ARG  35  -1.614   2.515  -1.653
  273    HG2  ARG  35           2HG      ARG  35  -1.295   1.122  -3.396
  274    HG3  ARG  35           1HG      ARG  35  -1.906  -0.257  -2.483
  275    HD2  ARG  35           2HD      ARG  35  -3.895  -0.140  -3.514
  276    HD3  ARG  35           1HD      ARG  35  -4.054   1.564  -3.099
  277    HE   ARG  35           HE       ARG  35  -2.399   1.787  -5.188
  278   HH11  ARG  35          1HH1      ARG  35  -3.535  -1.195  -5.485
  279   HH12  ARG  35          2HH1      ARG  35  -4.612  -0.925  -6.813
  280   HH21  ARG  35          1HH2      ARG  35  -4.464   2.531  -6.574
  281   HH22  ARG  35          2HH2      ARG  35  -5.140   1.184  -7.429
  282    H    GLY  36           H        GLY  36   0.104   1.455   1.313
  283    HA2  GLY  36           2HA      GLY  36  -1.662   3.190   2.990
  284    HA3  GLY  36           1HA      GLY  36  -0.571   2.024   3.726
  285    H    CYS  37           H        CYS  37   0.620   3.618   4.793
  286    HA   CYS  37           HA       CYS  37   2.359   5.296   3.037
  287    HB2  CYS  37           2HB      CYS  37   2.371   6.992   4.832
  288    HB3  CYS  37           1HB      CYS  37   0.728   6.702   4.256
  289    H    GLY  38           H        GLY  38   4.460   4.633   3.254
  290    HA2  GLY  38           2HA      GLY  38   6.387   4.301   4.755
  291    HA3  GLY  38           1HA      GLY  38   5.278   3.586   5.933
  292    H    CYS  39           H        CYS  39   7.674   2.580   4.238
  293    HA   CYS  39           HA       CYS  39   6.715   0.630   2.400
  294    HB2  CYS  39           2HB      CYS  39   9.202   0.394   4.109
  295    HB3  CYS  39           1HB      CYS  39   8.871  -0.482   2.620
  296    H    PHE  40           H        PHE  40   6.888  -1.752   2.715
  297    HA   PHE  40           HA       PHE  40   5.108  -2.596   4.806
  298    HB2  PHE  40           2HB      PHE  40   6.252  -4.950   3.973
  299    HB3  PHE  40           1HB      PHE  40   4.895  -4.168   3.163
  300    HD1  PHE  40           1HD      PHE  40   8.516  -4.775   3.095
  301    HD2  PHE  40           2HD      PHE  40   5.206  -2.895   1.116
  302    HE1  PHE  40           1HE      PHE  40   9.943  -4.373   1.103
  303    HE2  PHE  40           2HE      PHE  40   6.623  -2.496  -0.882
  304    HZ   PHE  40           HZ       PHE  40   8.998  -3.228  -0.890
  305    H    THR  41           H        THR  41   5.912  -4.706   6.077
  306    HA   THR  41           HA       THR  41   8.076  -3.684   7.777
  307    HB   THR  41           HB       THR  41   5.837  -5.597   8.127
  308    HG1  THR  41           1HG      THR  41   6.281  -3.294   8.899
  309   HG21  THR  41          3HG2      THR  41   6.833  -6.661  10.075
  310   HG22  THR  41          1HG2      THR  41   8.327  -5.749   9.852
  311   HG23  THR  41          2HG2      THR  41   7.858  -6.978   8.676
  312    HA   PRO  42           HA       PRO  42  10.064  -7.827   6.745
  313    HB2  PRO  42           2HB      PRO  42   8.750  -9.602   5.114
  314    HB3  PRO  42           1HB      PRO  42   8.518  -9.527   6.869
  315    HG2  PRO  42           2HG      PRO  42   6.671  -8.684   4.716
  316    HG3  PRO  42           1HG      PRO  42   6.319  -9.034   6.416
  317    HD2  PRO  42           2HD      PRO  42   6.636  -6.459   5.169
  318    HD3  PRO  42           1HD      PRO  42   6.291  -6.791   6.879
  319    H    ARG  43           H        ARG  43  10.311  -5.526   5.094
  320    HA   ARG  43           HA       ARG  43  10.238  -5.989   2.303
  321    HB2  ARG  43           2HB      ARG  43  12.190  -4.384   2.200
  322    HB3  ARG  43           1HB      ARG  43  10.812  -3.794   3.117
  323    HG2  ARG  43           2HG      ARG  43  11.905  -4.561   5.217
  324    HG3  ARG  43           1HG      ARG  43  13.307  -5.058   4.271
  325    HD2  ARG  43           2HD      ARG  43  12.210  -2.237   4.441
  326    HD3  ARG  43           1HD      ARG  43  13.663  -2.825   5.249
  327    HE   ARG  43           HE       ARG  43  13.861  -3.328   2.432
  328   HH11  ARG  43          1HH1      ARG  43  15.033  -1.477   4.951
  329   HH12  ARG  43          2HH1      ARG  43  15.566  -0.150   3.973
  330   HH21  ARG  43          1HH2      ARG  43  14.063  -1.332   1.081
  331   HH22  ARG  43          2HH2      ARG  43  15.017  -0.068   1.782
  332    H    GLY  44           H        GLY  44  12.010  -6.666   0.860
  333    HA2  GLY  44           2HA      GLY  44  14.478  -7.646   1.480
  334    HA3  GLY  44           1HA      GLY  44  13.409  -8.959   1.963
  335    H    ASP  45           H        ASP  45  14.801  -9.994   0.157
  336    HA   ASP  45           HA       ASP  45  13.875  -9.283  -2.563
  337    HB2  ASP  45           2HB      ASP  45  15.516 -11.145  -3.200
  338    HB3  ASP  45           1HB      ASP  45  16.216  -9.703  -2.463
  339    H    MET  46           H        MET  46  12.828 -11.289  -0.075
  340    HA   MET  46           HA       MET  46  12.001 -13.518  -1.791
  341    HB2  MET  46           2HB      MET  46  10.627 -13.301   0.795
  342    HB3  MET  46           1HB      MET  46  11.554 -14.638   0.122
  343    HG2  MET  46           2HG      MET  46  13.644 -13.223   0.628
  344    HG3  MET  46           1HG      MET  46  12.582 -12.229   1.625
  345    HE1  MET  46           3HE      MET  46  14.224 -15.360   0.816
  346    HE2  MET  46           1HE      MET  46  14.267 -16.343   2.285
  347    HE3  MET  46           2HE      MET  46  15.192 -14.846   2.195
  348    HA   PRO  47           HA       PRO  47   7.778 -11.408  -1.270
  349    HB2  PRO  47           2HB      PRO  47   7.672  -9.086   0.192
  350    HB3  PRO  47           1HB      PRO  47   7.510 -10.692   0.915
  351    HG2  PRO  47           2HG      PRO  47   9.793  -8.801   1.063
  352    HG3  PRO  47           1HG      PRO  47   9.375 -10.137   2.147
  353    HD2  PRO  47           2HD      PRO  47  11.371 -10.138   0.093
  354    HD3  PRO  47           1HD      PRO  47  10.867 -11.514   1.092
  355    H    GLY  48           H        GLY  48   6.737  -9.468  -2.401
  356    HA2  GLY  48           2HA      GLY  48   8.699  -7.605  -3.575
  357    HA3  GLY  48           1HA      GLY  48   7.757  -8.592  -4.682
  358    HA   PRO  49           HA       PRO  49   4.472  -5.801  -2.766
  359    HB2  PRO  49           2HB      PRO  49   5.048  -4.446  -0.446
  360    HB3  PRO  49           1HB      PRO  49   4.363  -6.077  -0.497
  361    HG2  PRO  49           2HG      PRO  49   7.109  -5.252   0.237
  362    HG3  PRO  49           1HG      PRO  49   6.246  -6.733   0.632
  363    HD2  PRO  49           2HD      PRO  49   8.242  -6.408  -1.385
  364    HD3  PRO  49           1HD      PRO  49   7.243  -7.831  -1.064
  365    H    TYR  50           H        TYR  50   4.430  -3.105  -1.913
  366    HA   TYR  50           HA       TYR  50   6.573  -1.881  -3.604
  367    HB2  TYR  50           2HB      TYR  50   3.793  -2.015  -4.165
  368    HB3  TYR  50           1HB      TYR  50   4.177  -0.333  -3.797
  369    HD1  TYR  50           1HD      TYR  50   5.731  -3.220  -5.634
  370    HD2  TYR  50           2HD      TYR  50   4.870   0.988  -5.580
  371    HE1  TYR  50           1HE      TYR  50   6.797  -2.974  -7.858
  372    HE2  TYR  50           2HE      TYR  50   5.936   1.235  -7.805
  373    HH   TYR  50           HH       TYR  50   7.225  -1.596  -9.548
  374    H    CYS  51           H        CYS  51   7.061   0.302  -3.210
  375    HA   CYS  51           HA       CYS  51   5.967   1.759  -0.890
  376    HB2  CYS  51           2HB      CYS  51   7.850   0.144  -0.054
  377    HB3  CYS  51           1HB      CYS  51   8.933   1.251  -0.901
  378    H    CYS  52           H        CYS  52   6.368   3.949  -1.205
  379    HA   CYS  52           HA       CYS  52   8.398   4.856  -3.123
  380    HB2  CYS  52           2HB      CYS  52   6.603   4.386  -4.675
  381    HB3  CYS  52           1HB      CYS  52   5.448   5.227  -3.651
  382    H    GLU  53           H        GLU  53   8.581   7.188  -3.053
  383    HA   GLU  53           HA       GLU  53   7.463   8.258  -0.496
  384    HB2  GLU  53           2HB      GLU  53   9.805   9.511  -1.887
  385    HB3  GLU  53           1HB      GLU  53   9.411   9.470  -0.167
  386    HG2  GLU  53           2HG      GLU  53   9.828   6.992  -0.196
  387    HG3  GLU  53           1HG      GLU  53  10.402   7.159  -1.856
  388    H    SER  54           H        SER  54   5.557   8.584  -2.154
  389    HA   SER  54           HA       SER  54   5.501  11.444  -2.715
  390    HB2  SER  54           2HB      SER  54   4.987   9.637  -5.071
  391    HB3  SER  54           1HB      SER  54   5.212  11.380  -5.045
  392    HG   SER  54           HG       SER  54   7.042   9.450  -5.316
  393    H    ASP  55           H        ASP  55   3.234  12.099  -3.372
  394    HA   ASP  55           HA       ASP  55   1.383  10.405  -1.942
  395    HB2  ASP  55           2HB      ASP  55  -0.098  12.270  -3.516
  396    HB3  ASP  55           1HB      ASP  55   0.140  12.236  -1.773
  397    H    LYS  56           H        LYS  56  -0.543   9.503  -2.782
  398    HA   LYS  56           HA       LYS  56  -1.436   7.841  -4.216
  399    HB2  LYS  56           2HB      LYS  56  -0.929  10.029  -6.255
  400    HB3  LYS  56           1HB      LYS  56  -2.144   8.754  -6.355
  401    HG2  LYS  56           2HG      LYS  56  -2.928   9.740  -4.035
  402    HG3  LYS  56           1HG      LYS  56  -2.090  11.186  -4.600
  403    HD2  LYS  56           2HD      LYS  56  -4.306   9.716  -6.059
  404    HD3  LYS  56           1HD      LYS  56  -4.440  11.290  -5.274
  405    HE2  LYS  56           2HE      LYS  56  -2.639  12.134  -6.818
  406    HE3  LYS  56           1HE      LYS  56  -2.723  10.593  -7.671
  407    HZ1  LYS  56           3HZ      LYS  56  -4.268  12.778  -8.167
  408    HZ2  LYS  56           1HZ      LYS  56  -5.299  11.774  -7.270
  409    HZ3  LYS  56           2HZ      LYS  56  -4.584  11.195  -8.698
  410    H    CYS  57           H        CYS  57   1.551   7.862  -3.908
  411    HA   CYS  57           HA       CYS  57   2.639   7.244  -6.536
  412    HB2  CYS  57           2HB      CYS  57   3.799   8.042  -4.262
  413    HB3  CYS  57           1HB      CYS  57   4.005   6.304  -4.063
  414    H    ASN  58           H        ASN  58   1.079   5.338  -4.012
  415    HA   ASN  58           HA       ASN  58   2.008   2.875  -5.324
  416    HB2  ASN  58           2HB      ASN  58   0.638   1.827  -3.371
  417    HB3  ASN  58           1HB      ASN  58   2.189   2.573  -3.010
  418   HD21  ASN  58          1HD2      ASN  58   0.535   2.430  -0.851
  419   HD22  ASN  58          2HD2      ASN  58  -0.227   3.922  -0.526
  420    H    LEU  59           H        LEU  59   0.296   4.493  -6.842
  421    HA   LEU  59           HA       LEU  59  -2.465   3.655  -6.614
  422    HB2  LEU  59           2HB      LEU  59  -1.940   5.728  -7.760
  423    HB3  LEU  59           1HB      LEU  59  -0.877   4.891  -8.886
  424    HG   LEU  59           HG       LEU  59  -3.243   5.502  -9.713
  425   HD11  LEU  59          1HD1      LEU  59  -1.545   3.275 -10.197
  426   HD12  LEU  59          2HD1      LEU  59  -2.714   4.004 -11.299
  427   HD13  LEU  59          3HD1      LEU  59  -3.205   2.681 -10.242
  428   HD21  LEU  59          3HD2      LEU  59  -4.030   4.256  -7.400
  429   HD22  LEU  59          1HD2      LEU  59  -4.242   2.966  -8.582
  430   HD23  LEU  59          2HD2      LEU  59  -5.070   4.505  -8.799
  Start of MODEL   19
    1    H1   ARG   1           1HT      ARG   1   3.397  10.363   3.043
    2    H2   ARG   1           2HT      ARG   1   2.142  10.526   4.176
    3    H3   ARG   1           3HT      ARG   1   3.539  11.484   4.307
    4    HA   ARG   1           HA       ARG   1   2.021  12.941   3.404
    5    HB2  ARG   1           2HB      ARG   1   3.082  13.513   1.427
    6    HB3  ARG   1           1HB      ARG   1   4.231  12.341   2.057
    7    HG2  ARG   1           2HG      ARG   1   2.415  10.770   0.649
    8    HG3  ARG   1           1HG      ARG   1   2.596  12.203  -0.354
    9    HD2  ARG   1           2HD      ARG   1   4.915  10.625   0.758
   10    HD3  ARG   1           1HD      ARG   1   4.245  10.366  -0.840
   11    HE   ARG   1           HE       ARG   1   5.917  12.010  -1.288
   12   HH11  ARG   1          1HH2      ARG   1   5.848  13.049   1.661
   13   HH12  ARG   1          2HH2      ARG   1   5.386  14.691   1.375
   14   HH21  ARG   1          1HH1      ARG   1   4.514  14.158  -1.925
   15   HH22  ARG   1          2HH1      ARG   1   4.625  15.315  -0.645
   16    H    ILE   2           H        ILE   2   1.002  12.663   0.572
   17    HA   ILE   2           HA       ILE   2  -1.441  11.168   1.299
   18    HB   ILE   2           HB       ILE   2  -0.709  12.803  -1.143
   19   HG12  ILE   2          2HG1      ILE   2  -2.885  13.951  -0.081
   20   HG13  ILE   2          1HG1      ILE   2  -2.238  13.178   1.367
   21   HG21  ILE   2          1HG2      ILE   2  -2.981  12.429  -1.932
   22   HG22  ILE   2          2HG2      ILE   2  -3.348  11.449  -0.512
   23   HG23  ILE   2          3HG2      ILE   2  -2.195  10.866  -1.713
   24   HD11  ILE   2          3HD1      ILE   2  -0.104  14.444  -0.113
   25   HD12  ILE   2          1HD1      ILE   2  -0.620  14.738   1.548
   26   HD13  ILE   2          2HD1      ILE   2  -1.384  15.611   0.220
   27    H    CYS   3           H        CYS   3  -1.380   8.970   1.004
   28    HA   CYS   3           HA       CYS   3  -0.170   8.089  -1.564
   29    HB2  CYS   3           2HB      CYS   3  -0.226   6.477   1.006
   30    HB3  CYS   3           1HB      CYS   3   0.485   5.966  -0.520
   31    H    TYR   4           H        TYR   4  -1.147   5.867  -2.265
   32    HA   TYR   4           HA       TYR   4  -4.039   6.235  -2.289
   33    HB2  TYR   4           2HB      TYR   4  -2.085   4.624  -3.749
   34    HB3  TYR   4           1HB      TYR   4  -3.539   3.712  -3.359
   35    HD1  TYR   4           2HD      TYR   4  -2.436   7.004  -4.733
   36    HD2  TYR   4           1HD      TYR   4  -5.467   3.973  -4.674
   37    HE1  TYR   4           2HE      TYR   4  -3.636   8.184  -6.547
   38    HE2  TYR   4           1HE      TYR   4  -6.673   5.148  -6.492
   39    HH   TYR   4           HH       TYR   4  -6.303   6.738  -8.221
   40    H    ASN   5           H        ASN   5  -5.553   5.067  -1.144
   41    HA   ASN   5           HA       ASN   5  -4.512   3.073   0.820
   42    HB2  ASN   5           2HB      ASN   5  -5.424   5.016   1.952
   43    HB3  ASN   5           1HB      ASN   5  -6.894   4.943   0.983
   44   HD21  ASN   5          1HD2      ASN   5  -5.427   1.951   2.114
   45   HD22  ASN   5          2HD2      ASN   5  -6.616   1.593   3.269
   46    H    HIS   6           H        HIS   6  -5.481   2.760  -2.037
   47    HA   HIS   6           HA       HIS   6  -8.066   1.491  -1.926
   48    HB2  HIS   6           2HB      HIS   6  -7.537   2.181  -4.056
   49    HB3  HIS   6           1HB      HIS   6  -5.861   1.686  -3.936
   50    HD1  HIS   6           1HD      HIS   6  -5.700   0.061  -5.871
   51    HD2  HIS   6           2HD      HIS   6  -8.997  -0.713  -3.443
   52    HE1  HIS   6           1HE      HIS   6  -6.694  -2.121  -6.685
   53    H    LEU   7           H        LEU   7  -8.592  -0.607  -1.645
   54    HA   LEU   7           HA       LEU   7  -6.414  -2.422  -0.699
   55    HB2  LEU   7           2HB      LEU   7  -9.289  -2.075   0.012
   56    HB3  LEU   7           1HB      LEU   7  -8.618  -3.704   0.109
   57    HG   LEU   7           HG       LEU   7  -6.655  -2.540   1.389
   58   HD11  LEU   7          1HD1      LEU   7  -7.198  -0.243   1.068
   59   HD12  LEU   7          2HD1      LEU   7  -7.629  -0.588   2.744
   60   HD13  LEU   7          3HD1      LEU   7  -8.885  -0.503   1.510
   61   HD21  LEU   7          3HD2      LEU   7  -8.165  -4.144   2.437
   62   HD22  LEU   7          1HD2      LEU   7  -9.427  -2.918   2.567
   63   HD23  LEU   7          2HD2      LEU   7  -7.953  -2.770   3.524
   64    H    GLY   8           H        GLY   8  -5.842  -4.055  -2.003
   65    HA2  GLY   8           2HA      GLY   8  -5.960  -5.059  -4.254
   66    HA3  GLY   8           1HA      GLY   8  -6.790  -6.138  -3.142
   67    H    THR   9           H        THR   9  -9.088  -6.262  -3.227
   68    HA   THR   9           HA       THR   9 -10.205  -5.301  -5.802
   69    HB   THR   9           HB       THR   9 -10.347  -7.739  -4.954
   70    HG1  THR   9           1HG      THR   9 -11.643  -7.511  -6.592
   71   HG21  THR   9          3HG2      THR   9 -11.212  -6.822  -2.666
   72   HG22  THR   9          1HG2      THR   9 -11.935  -8.290  -3.325
   73   HG23  THR   9          2HG2      THR   9 -12.773  -6.746  -3.482
   74    H    LYS  10           H        LYS  10 -10.607  -4.840  -2.344
   75    HA   LYS  10           HA       LYS  10 -13.177  -3.757  -2.170
   76    HB2  LYS  10           2HB      LYS  10 -10.757  -3.665  -0.624
   77    HB3  LYS  10           1HB      LYS  10 -11.462  -2.049  -0.665
   78    HG2  LYS  10           2HG      LYS  10 -13.705  -3.237  -0.138
   79    HG3  LYS  10           1HG      LYS  10 -12.704  -4.614   0.326
   80    HD2  LYS  10           2HD      LYS  10 -11.411  -2.625   1.643
   81    HD3  LYS  10           1HD      LYS  10 -13.058  -1.995   1.671
   82    HE2  LYS  10           2HE      LYS  10 -13.108  -4.812   2.264
   83    HE3  LYS  10           1HE      LYS  10 -11.960  -4.010   3.334
   84    HZ1  LYS  10           3HZ      LYS  10 -14.732  -3.067   2.858
   85    HZ2  LYS  10           1HZ      LYS  10 -13.631  -2.462   3.998
   86    HZ3  LYS  10           2HZ      LYS  10 -14.266  -4.028   4.179
   87    HA   PRO  11           HA       PRO  11 -13.199   0.058  -4.322
   88    HB2  PRO  11           2HB      PRO  11 -14.025   1.944  -2.485
   89    HB3  PRO  11           1HB      PRO  11 -15.103   0.758  -3.243
   90    HG2  PRO  11           2HG      PRO  11 -13.977   0.778  -0.477
   91    HG3  PRO  11           1HG      PRO  11 -15.495   0.081  -1.065
   92    HD2  PRO  11           2HD      PRO  11 -13.168  -1.372  -0.496
   93    HD3  PRO  11           1HD      PRO  11 -14.519  -1.960  -1.488
   94    HA   PRO  12           HA       PRO  12  -9.163   1.660  -3.460
   95    HB2  PRO  12           2HB      PRO  12  -8.932   3.143  -5.766
   96    HB3  PRO  12           1HB      PRO  12  -8.701   1.388  -5.694
   97    HG2  PRO  12           2HG      PRO  12 -11.014   2.934  -6.768
   98    HG3  PRO  12           1HG      PRO  12 -10.437   1.320  -7.217
   99    HD2  PRO  12           2HD      PRO  12 -12.652   1.878  -5.551
  100    HD3  PRO  12           1HD      PRO  12 -11.855   0.300  -5.729
  101    H    THR  13           H        THR  13  -8.655   3.345  -2.159
  102    HA   THR  13           HA       THR  13  -9.781   6.028  -2.762
  103    HB   THR  13           HB       THR  13 -11.282   5.800  -1.073
  104    HG1  THR  13           1HG      THR  13 -10.120   5.935   1.076
  105   HG21  THR  13          3HG2      THR  13 -11.362   3.512  -0.733
  106   HG22  THR  13          1HG2      THR  13 -10.720   4.024   0.827
  107   HG23  THR  13          2HG2      THR  13  -9.632   3.396  -0.411
  108    H    THR  14           H        THR  14  -8.350   7.700  -2.175
  109    HA   THR  14           HA       THR  14  -5.621   6.820  -1.560
  110    HB   THR  14           HB       THR  14  -5.127   9.306  -1.707
  111    HG1  THR  14           1HG      THR  14  -6.935  10.387  -1.449
  112   HG21  THR  14          3HG2      THR  14  -4.958   9.158  -4.000
  113   HG22  THR  14          1HG2      THR  14  -6.563   8.452  -4.182
  114   HG23  THR  14          2HG2      THR  14  -5.224   7.461  -3.601
  115    H    GLU  15           H        GLU  15  -4.423   8.259   0.123
  116    HA   GLU  15           HA       GLU  15  -6.108   9.022   2.419
  117    HB2  GLU  15           2HB      GLU  15  -4.455   6.537   2.331
  118    HB3  GLU  15           1HB      GLU  15  -4.453   7.468   3.828
  119    HG2  GLU  15           2HG      GLU  15  -6.937   6.492   2.388
  120    HG3  GLU  15           1HG      GLU  15  -6.243   5.756   3.833
  121    H    THR  16           H        THR  16  -4.425   9.499   4.348
  122    HA   THR  16           HA       THR  16  -1.983  10.753   3.190
  123    HB   THR  16           HB       THR  16  -3.344  12.304   5.303
  124    HG1  THR  16           1HG      THR  16  -4.699  13.228   3.552
  125   HG21  THR  16          3HG2      THR  16  -1.491  12.676   3.111
  126   HG22  THR  16          1HG2      THR  16  -1.799  13.720   4.498
  127   HG23  THR  16          2HG2      THR  16  -2.788  13.870   3.046
  128    H    CYS  17           H        CYS  17  -0.230  10.487   4.503
  129    HA   CYS  17           HA       CYS  17  -0.662   9.833   7.366
  130    HB2  CYS  17           2HB      CYS  17   1.299   8.207   5.771
  131    HB3  CYS  17           1HB      CYS  17   0.541   7.825   7.317
  132    H    GLN  18           H        GLN  18   2.009   9.314   8.019
  133    HA   GLN  18           HA       GLN  18   3.142  12.006   7.566
  134    HB2  GLN  18           2HB      GLN  18   3.087  11.301   9.863
  135    HB3  GLN  18           1HB      GLN  18   3.881   9.788   9.476
  136    HG2  GLN  18           2HG      GLN  18   5.296  11.805  10.443
  137    HG3  GLN  18           1HG      GLN  18   5.959  10.778   9.183
  138   HE21  GLN  18          1HE2      GLN  18   3.501  13.391   8.830
  139   HE22  GLN  18          2HE2      GLN  18   4.418  14.306   7.732
  140    H    GLU  19           H        GLU  19   4.040   8.620   7.223
  141    HA   GLU  19           HA       GLU  19   6.706   9.130   6.322
  142    HB2  GLU  19           2HB      GLU  19   5.385   6.793   5.096
  143    HB3  GLU  19           1HB      GLU  19   6.902   6.884   5.978
  144    HG2  GLU  19           2HG      GLU  19   5.282   7.366   8.034
  145    HG3  GLU  19           1HG      GLU  19   4.130   6.486   7.027
  146    H    ASP  20           H        ASP  20   7.431   9.887   4.447
  147    HA   ASP  20           HA       ASP  20   5.591  10.780   2.403
  148    HB2  ASP  20           2HB      ASP  20   8.038  10.847   1.142
  149    HB3  ASP  20           1HB      ASP  20   7.378  12.156   2.111
  150    H    SER  21           H        SER  21   6.850   7.772   3.116
  151    HA   SER  21           HA       SER  21   7.159   6.888   0.364
  152    HB2  SER  21           2HB      SER  21   6.814   4.799   2.387
  153    HB3  SER  21           1HB      SER  21   8.144   5.047   1.270
  154    HG   SER  21           HG       SER  21   7.717   6.091   3.837
  155    H    CYS  22           H        CYS  22   5.789   4.913  -0.351
  156    HA   CYS  22           HA       CYS  22   3.068   4.868   0.821
  157    HB2  CYS  22           2HB      CYS  22   3.510   5.223  -2.159
  158    HB3  CYS  22           1HB      CYS  22   1.967   5.168  -1.318
  159    H    TYR  23           H        TYR  23   2.732   2.697   1.175
  160    HA   TYR  23           HA       TYR  23   4.276   0.834  -0.546
  161    HB2  TYR  23           2HB      TYR  23   4.108  -0.803   1.159
  162    HB3  TYR  23           1HB      TYR  23   4.468   0.695   1.992
  163    HD1  TYR  23           2HD      TYR  23   2.426   2.069   2.887
  164    HD2  TYR  23           1HD      TYR  23   2.231  -2.069   1.754
  165    HE1  TYR  23           2HE      TYR  23   0.365   1.794   4.232
  166    HE2  TYR  23           1HE      TYR  23   0.171  -2.343   3.097
  167    HH   TYR  23           HH       TYR  23  -0.888   0.017   5.334
  168    H    LYS  24           H        LYS  24   3.351  -0.484  -1.897
  169    HA   LYS  24           HA       LYS  24   0.475  -1.139  -1.621
  170    HB2  LYS  24           2HB      LYS  24   0.168   0.481  -3.196
  171    HB3  LYS  24           1HB      LYS  24   1.773   0.307  -3.880
  172    HG2  LYS  24           2HG      LYS  24   0.496  -2.142  -4.412
  173    HG3  LYS  24           1HG      LYS  24  -0.732  -0.913  -4.701
  174    HD2  LYS  24           2HD      LYS  24   1.921  -0.185  -5.717
  175    HD3  LYS  24           1HD      LYS  24   1.228  -1.611  -6.492
  176    HE2  LYS  24           2HE      LYS  24  -0.850   0.323  -6.201
  177    HE3  LYS  24           1HE      LYS  24   0.545   1.133  -6.913
  178    HZ1  LYS  24           3HZ      LYS  24   0.207   0.088  -8.820
  179    HZ2  LYS  24           1HZ      LYS  24  -1.249  -0.520  -8.197
  180    HZ3  LYS  24           2HZ      LYS  24   0.179  -1.432  -8.062
  181    H    ASN  25           H        ASN  25   0.925  -3.148  -1.027
  182    HA   ASN  25           HA       ASN  25   2.837  -4.722  -2.640
  183    HB2  ASN  25           2HB      ASN  25   1.453  -5.869  -0.246
  184    HB3  ASN  25           1HB      ASN  25   3.119  -6.063  -0.777
  185   HD21  ASN  25          1HD2      ASN  25   3.380  -3.001  -1.080
  186   HD22  ASN  25          2HD2      ASN  25   3.515  -2.446   0.510
  187    H    ILE  26           H        ILE  26   2.168  -7.055  -3.056
  188    HA   ILE  26           HA       ILE  26  -0.508  -6.980  -4.323
  189    HB   ILE  26           HB       ILE  26   0.243  -8.725  -5.728
  190   HG12  ILE  26          2HG1      ILE  26   1.230 -10.056  -3.761
  191   HG13  ILE  26          1HG1      ILE  26   2.066 -10.179  -5.301
  192   HG21  ILE  26          1HG2      ILE  26   1.322  -6.491  -6.069
  193   HG22  ILE  26          2HG2      ILE  26   2.281  -7.843  -6.674
  194   HG23  ILE  26          3HG2      ILE  26   2.706  -7.074  -5.145
  195   HD11  ILE  26          3HD1      ILE  26   3.867  -9.773  -3.915
  196   HD12  ILE  26          1HD1      ILE  26   2.919  -8.809  -2.786
  197   HD13  ILE  26          2HD1      ILE  26   3.443  -8.113  -4.317
  198    H    TRP  27           H        TRP  27   1.067  -8.357  -1.599
  199    HA   TRP  27           HA       TRP  27  -1.328 -10.085  -1.209
  200    HB2  TRP  27           2HB      TRP  27   0.425 -11.512   0.185
  201    HB3  TRP  27           1HB      TRP  27   0.178 -11.788  -1.539
  202    HD1  TRP  27           HD       TRP  27   2.189  -8.922   0.098
  203    HE1  TRP  27           1HE      TRP  27   4.606  -9.023  -0.802
  204    HE3  TRP  27           3HE      TRP  27   1.918 -13.188  -2.695
  205    HZ2  TRP  27           2HZ      TRP  27   6.211 -10.696  -2.466
  206    HZ3  TRP  27           3HZ      TRP  27   3.905 -14.015  -3.922
  207    HH2  TRP  27           HH       TRP  27   6.050 -12.776  -3.812
  208    H    THR  28           H        THR  28  -1.568 -10.717   1.142
  209    HA   THR  28           HA       THR  28  -0.365  -8.935   3.127
  210    HB   THR  28           HB       THR  28  -3.274  -8.715   2.328
  211    HG1  THR  28           1HG      THR  28  -2.012  -7.361   1.152
  212   HG21  THR  28          3HG2      THR  28  -1.817  -7.694   4.776
  213   HG22  THR  28          1HG2      THR  28  -3.232  -8.744   4.732
  214   HG23  THR  28          2HG2      THR  28  -3.373  -7.057   4.244
  215    H    PHE  29           H        PHE  29  -1.390  -9.484   5.354
  216    HA   PHE  29           HA       PHE  29  -1.279 -12.242   5.851
  217    HB2  PHE  29           2HB      PHE  29  -1.530 -10.062   7.436
  218    HB3  PHE  29           1HB      PHE  29  -3.168 -10.705   7.551
  219    HD1  PHE  29           2HD      PHE  29  -3.182 -13.425   7.733
  220    HD2  PHE  29           1HD      PHE  29  -0.031 -10.817   9.043
  221    HE1  PHE  29           2HE      PHE  29  -2.393 -15.171   9.308
  222    HE2  PHE  29           1HE      PHE  29   0.758 -12.563  10.619
  223    HZ   PHE  29           HZ       PHE  29  -0.423 -14.738  10.751
  224    H    ASP  30           H        ASP  30  -4.176 -10.239   5.259
  225    HA   ASP  30           HA       ASP  30  -5.633 -12.767   4.599
  226    HB2  ASP  30           2HB      ASP  30  -6.226 -11.259   6.776
  227    HB3  ASP  30           1HB      ASP  30  -7.222 -10.451   5.565
  228    H    ASN  31           H        ASN  31  -5.306  -9.277   4.018
  229    HA   ASN  31           HA       ASN  31  -7.130  -9.293   1.744
  230    HB2  ASN  31           2HB      ASN  31  -5.532  -7.332   3.216
  231    HB3  ASN  31           1HB      ASN  31  -5.520  -7.045   1.476
  232   HD21  ASN  31          1HD2      ASN  31  -7.426  -6.199   0.529
  233   HD22  ASN  31          2HD2      ASN  31  -8.866  -5.934   1.387
  234    H    ILE  32           H        ILE  32  -5.909  -8.055  -0.313
  235    HA   ILE  32           HA       ILE  32  -3.693  -9.926  -1.052
  236    HB   ILE  32           HB       ILE  32  -5.452  -8.518  -3.053
  237   HG12  ILE  32          2HG1      ILE  32  -7.031  -9.650  -1.615
  238   HG13  ILE  32          1HG1      ILE  32  -6.823 -10.649  -3.054
  239   HG21  ILE  32          1HG2      ILE  32  -3.575  -9.563  -4.055
  240   HG22  ILE  32          2HG2      ILE  32  -4.885 -10.724  -4.269
  241   HG23  ILE  32          3HG2      ILE  32  -3.689 -10.969  -2.996
  242   HD11  ILE  32          3HD1      ILE  32  -6.210 -11.277  -0.279
  243   HD12  ILE  32          1HD1      ILE  32  -4.803 -11.502  -1.317
  244   HD13  ILE  32          2HD1      ILE  32  -6.305 -12.355  -1.672
  245    H    ILE  33           H        ILE  33  -4.923  -6.829  -2.379
  246    HA   ILE  33           HA       ILE  33  -2.093  -5.870  -2.379
  247    HB   ILE  33           HB       ILE  33  -4.201  -4.328  -3.801
  248   HG12  ILE  33          2HG1      ILE  33  -4.789  -6.680  -4.272
  249   HG13  ILE  33          1HG1      ILE  33  -4.186  -5.862  -5.716
  250   HG21  ILE  33          1HG2      ILE  33  -1.764  -3.746  -3.769
  251   HG22  ILE  33          2HG2      ILE  33  -2.402  -3.999  -5.394
  252   HG23  ILE  33          3HG2      ILE  33  -1.435  -5.256  -4.621
  253   HD11  ILE  33          3HD1      ILE  33  -2.030  -6.892  -5.492
  254   HD12  ILE  33          1HD1      ILE  33  -3.223  -8.178  -5.307
  255   HD13  ILE  33          2HD1      ILE  33  -2.425  -7.503  -3.886
  256    H    ARG  34           H        ARG  34  -1.593  -3.921  -1.329
  257    HA   ARG  34           HA       ARG  34  -3.858  -2.377  -0.229
  258    HB2  ARG  34           2HB      ARG  34  -3.155  -4.151   1.454
  259    HB3  ARG  34           1HB      ARG  34  -1.651  -3.239   1.621
  260    HG2  ARG  34           2HG      ARG  34  -2.712  -1.390   2.522
  261    HG3  ARG  34           1HG      ARG  34  -4.251  -1.772   1.771
  262    HD2  ARG  34           2HD      ARG  34  -4.828  -3.318   3.402
  263    HD3  ARG  34           1HD      ARG  34  -3.149  -3.678   3.800
  264    HE   ARG  34           HE       ARG  34  -3.074  -1.554   5.055
  265   HH11  ARG  34          1HH2      ARG  34  -5.749  -3.396   5.390
  266   HH12  ARG  34          2HH2      ARG  34  -6.834  -2.129   5.861
  267   HH21  ARG  34          1HH1      ARG  34  -4.637   0.422   5.029
  268   HH22  ARG  34          2HH1      ARG  34  -6.204   0.031   5.656
  269    H    ARG  35           H        ARG  35  -3.437  -0.414  -0.919
  270    HA   ARG  35           HA       ARG  35  -0.657   0.578  -1.104
  271    HB2  ARG  35           2HB      ARG  35  -3.209   1.976  -1.933
  272    HB3  ARG  35           1HB      ARG  35  -1.566   2.430  -2.365
  273    HG2  ARG  35           2HG      ARG  35  -1.605   1.041  -4.125
  274    HG3  ARG  35           1HG      ARG  35  -1.962  -0.321  -3.064
  275    HD2  ARG  35           2HD      ARG  35  -4.379   0.373  -3.105
  276    HD3  ARG  35           1HD      ARG  35  -3.963   1.569  -4.331
  277    HE   ARG  35           HE       ARG  35  -4.127  -1.330  -4.732
  278   HH11  ARG  35          1HH1      ARG  35  -2.869   1.709  -5.802
  279   HH12  ARG  35          2HH1      ARG  35  -2.629   1.178  -7.432
  280   HH21  ARG  35          1HH2      ARG  35  -3.799  -2.031  -6.849
  281   HH22  ARG  35          2HH2      ARG  35  -3.152  -0.934  -8.024
  282    H    GLY  36           H        GLY  36   0.147   2.121   0.297
  283    HA2  GLY  36           2HA      GLY  36  -1.659   3.691   1.991
  284    HA3  GLY  36           1HA      GLY  36  -0.724   2.486   2.863
  285    H    CYS  37           H        CYS  37   0.426   4.118   3.984
  286    HA   CYS  37           HA       CYS  37   2.412   5.609   2.320
  287    HB2  CYS  37           2HB      CYS  37   1.734   6.564   5.059
  288    HB3  CYS  37           1HB      CYS  37   2.196   7.491   3.635
  289    H    GLY  38           H        GLY  38   4.426   4.765   2.649
  290    HA2  GLY  38           2HA      GLY  38   6.298   4.247   4.079
  291    HA3  GLY  38           1HA      GLY  38   5.165   3.959   5.402
  292    H    CYS  39           H        CYS  39   7.275   2.220   4.075
  293    HA   CYS  39           HA       CYS  39   5.966   0.120   2.640
  294    HB2  CYS  39           2HB      CYS  39   8.360  -0.180   4.435
  295    HB3  CYS  39           1HB      CYS  39   7.936  -1.195   3.067
  296    H    PHE  40           H        PHE  40   5.348  -2.026   3.483
  297    HA   PHE  40           HA       PHE  40   3.723  -1.822   5.834
  298    HB2  PHE  40           2HB      PHE  40   3.629  -4.374   5.627
  299    HB3  PHE  40           1HB      PHE  40   3.061  -3.448   4.245
  300    HD1  PHE  40           2HD      PHE  40   6.627  -3.277   4.652
  301    HD2  PHE  40           1HD      PHE  40   3.467  -5.693   3.037
  302    HE1  PHE  40           2HE      PHE  40   8.261  -4.427   3.223
  303    HE2  PHE  40           1HE      PHE  40   5.113  -6.853   1.599
  304    HZ   PHE  40           HZ       PHE  40   7.513  -6.236   1.699
  305    H    THR  41           H        THR  41   3.992  -3.532   7.694
  306    HA   THR  41           HA       THR  41   6.511  -2.886   8.987
  307    HB   THR  41           HB       THR  41   4.487  -4.811  10.091
  308    HG1  THR  41           1HG      THR  41   4.357  -1.999   9.846
  309   HG21  THR  41          3HG2      THR  41   6.787  -3.302  11.047
  310   HG22  THR  41          1HG2      THR  41   5.927  -4.638  11.812
  311   HG23  THR  41          2HG2      THR  41   5.343  -2.986  12.009
  312    HA   PRO  42           HA       PRO  42   7.286  -7.565   8.764
  313    HB2  PRO  42           2HB      PRO  42   5.623  -9.081   7.182
  314    HB3  PRO  42           1HB      PRO  42   5.320  -8.749   8.896
  315    HG2  PRO  42           2HG      PRO  42   3.927  -7.660   6.518
  316    HG3  PRO  42           1HG      PRO  42   3.378  -7.735   8.200
  317    HD2  PRO  42           2HD      PRO  42   4.454  -5.464   6.814
  318    HD3  PRO  42           1HD      PRO  42   3.972  -5.541   8.519
  319    H    ARG  43           H        ARG  43   8.285  -5.632   7.011
  320    HA   ARG  43           HA       ARG  43   8.297  -6.412   4.261
  321    HB2  ARG  43           2HB      ARG  43  10.216  -4.931   4.041
  322    HB3  ARG  43           1HB      ARG  43   9.048  -4.189   5.128
  323    HG2  ARG  43           2HG      ARG  43  10.347  -4.556   7.014
  324    HG3  ARG  43           1HG      ARG  43  11.173  -5.942   6.301
  325    HD2  ARG  43           2HD      ARG  43  12.333  -4.384   4.726
  326    HD3  ARG  43           1HD      ARG  43  11.584  -3.029   5.571
  327    HE   ARG  43           HE       ARG  43  13.047  -4.808   7.360
  328   HH11  ARG  43          1HH2      ARG  43  14.667  -3.623   4.910
  329   HH12  ARG  43          2HH2      ARG  43  15.455  -2.309   5.716
  330   HH21  ARG  43          1HH1      ARG  43  13.437  -2.474   8.528
  331   HH22  ARG  43          2HH1      ARG  43  14.758  -1.658   7.763
  332    H    GLY  44           H        GLY  44  11.251  -6.457   3.971
  333    HA2  GLY  44           2HA      GLY  44  12.991  -8.079   4.806
  334    HA3  GLY  44           1HA      GLY  44  11.691  -9.265   4.807
  335    H    ASP  45           H        ASP  45  13.556 -10.219   3.306
  336    HA   ASP  45           HA       ASP  45  13.436  -9.143   0.562
  337    HB2  ASP  45           2HB      ASP  45  15.246 -10.807   2.076
  338    HB3  ASP  45           1HB      ASP  45  14.791 -11.622   0.579
  339    H    MET  46           H        MET  46  11.270 -10.799   2.237
  340    HA   MET  46           HA       MET  46  10.806 -13.007   0.357
  341    HB2  MET  46           2HB      MET  46  10.014 -12.383   3.035
  342    HB3  MET  46           1HB      MET  46   8.566 -12.649   2.064
  343    HG2  MET  46           2HG      MET  46  10.652 -14.592   1.449
  344    HG3  MET  46           1HG      MET  46  10.198 -14.633   3.154
  345    HE1  MET  46           3HE      MET  46   8.300 -17.205   3.072
  346    HE2  MET  46           1HE      MET  46   7.218 -15.960   3.710
  347    HE3  MET  46           2HE      MET  46   8.955 -15.838   3.971
  348    HA   PRO  47           HA       PRO  47   7.036 -10.300  -0.689
  349    HB2  PRO  47           2HB      PRO  47   6.836  -7.846   0.530
  350    HB3  PRO  47           1HB      PRO  47   6.162  -9.337   1.207
  351    HG2  PRO  47           2HG      PRO  47   8.549  -7.803   2.083
  352    HG3  PRO  47           1HG      PRO  47   7.551  -8.942   3.001
  353    HD2  PRO  47           2HD      PRO  47  10.096  -9.459   1.818
  354    HD3  PRO  47           1HD      PRO  47   9.029 -10.647   2.590
  355    H    GLY  48           H        GLY  48   6.751  -8.659  -2.313
  356    HA2  GLY  48           2HA      GLY  48   9.076  -6.935  -2.895
  357    HA3  GLY  48           1HA      GLY  48   8.507  -8.026  -4.156
  358    HA   PRO  49           HA       PRO  49   4.847  -5.029  -3.379
  359    HB2  PRO  49           2HB      PRO  49   5.173  -3.155  -1.402
  360    HB3  PRO  49           1HB      PRO  49   4.483  -4.761  -1.127
  361    HG2  PRO  49           2HG      PRO  49   7.187  -3.739  -0.418
  362    HG3  PRO  49           1HG      PRO  49   6.206  -4.985   0.355
  363    HD2  PRO  49           2HD      PRO  49   8.377  -5.483  -1.354
  364    HD3  PRO  49           1HD      PRO  49   7.134  -6.664  -0.900
  365    H    TYR  50           H        TYR  50   4.711  -2.304  -3.040
  366    HA   TYR  50           HA       TYR  50   6.997  -1.242  -4.628
  367    HB2  TYR  50           2HB      TYR  50   4.561  -1.716  -5.734
  368    HB3  TYR  50           1HB      TYR  50   4.325  -0.070  -5.147
  369    HD1  TYR  50           1HD      TYR  50   7.040   1.060  -5.379
  370    HD2  TYR  50           2HD      TYR  50   4.863  -1.493  -8.063
  371    HE1  TYR  50           1HE      TYR  50   8.363   1.934  -7.286
  372    HE2  TYR  50           2HE      TYR  50   6.187  -0.619  -9.970
  373    HH   TYR  50           HH       TYR  50   7.545   1.814 -10.298
  374    H    CYS  51           H        CYS  51   7.749  -0.385  -2.538
  375    HA   CYS  51           HA       CYS  51   6.091   1.557  -1.083
  376    HB2  CYS  51           2HB      CYS  51   8.498   0.211  -0.560
  377    HB3  CYS  51           1HB      CYS  51   8.931   1.914  -0.744
  378    H    CYS  52           H        CYS  52   5.675   3.473  -2.037
  379    HA   CYS  52           HA       CYS  52   7.631   4.602  -3.979
  380    HB2  CYS  52           2HB      CYS  52   4.702   4.843  -3.598
  381    HB3  CYS  52           1HB      CYS  52   5.543   6.312  -4.064
  382    H    GLU  53           H        GLU  53   7.680   7.085  -3.844
  383    HA   GLU  53           HA       GLU  53   7.695   7.911  -0.981
  384    HB2  GLU  53           2HB      GLU  53   9.635   8.997  -3.012
  385    HB3  GLU  53           1HB      GLU  53   9.700   9.102  -1.249
  386    HG2  GLU  53           2HG      GLU  53  10.410   6.916  -0.993
  387    HG3  GLU  53           1HG      GLU  53   9.667   6.386  -2.501
  388    H    SER  54           H        SER  54   6.711   8.578  -4.198
  389    HA   SER  54           HA       SER  54   6.075  11.399  -3.635
  390    HB2  SER  54           2HB      SER  54   4.743  10.664  -5.969
  391    HB3  SER  54           1HB      SER  54   6.326  11.432  -5.887
  392    HG   SER  54           HG       SER  54   6.045   9.290  -7.029
  393    H    ASP  55           H        ASP  55   3.814  12.142  -3.610
  394    HA   ASP  55           HA       ASP  55   2.144  10.344  -2.093
  395    HB2  ASP  55           2HB      ASP  55   0.732  12.585  -3.379
  396    HB3  ASP  55           1HB      ASP  55   0.837  12.131  -1.684
  397    H    LYS  56           H        LYS  56   0.072   9.535  -2.724
  398    HA   LYS  56           HA       LYS  56  -1.165   8.153  -4.163
  399    HB2  LYS  56           2HB      LYS  56  -0.841  10.759  -5.633
  400    HB3  LYS  56           1HB      LYS  56  -1.754   9.431  -6.349
  401    HG2  LYS  56           2HG      LYS  56  -3.122   9.325  -4.243
  402    HG3  LYS  56           1HG      LYS  56  -2.295  10.783  -3.692
  403    HD2  LYS  56           2HD      LYS  56  -3.685  10.683  -6.369
  404    HD3  LYS  56           1HD      LYS  56  -4.562  11.091  -4.894
  405    HE2  LYS  56           2HE      LYS  56  -2.355  12.689  -4.655
  406    HE3  LYS  56           1HE      LYS  56  -2.581  12.677  -6.404
  407    HZ1  LYS  56           3HZ      LYS  56  -4.465  13.842  -6.248
  408    HZ2  LYS  56           1HZ      LYS  56  -3.916  14.270  -4.702
  409    HZ3  LYS  56           2HZ      LYS  56  -5.015  12.987  -4.887
  410    H    CYS  57           H        CYS  57   1.796   7.830  -4.325
  411    HA   CYS  57           HA       CYS  57   2.314   7.407  -7.190
  412    HB2  CYS  57           2HB      CYS  57   4.133   8.174  -5.750
  413    HB3  CYS  57           1HB      CYS  57   3.957   6.737  -4.749
  414    H    ASN  58           H        ASN  58   0.990   5.493  -4.611
  415    HA   ASN  58           HA       ASN  58   1.779   3.006  -5.957
  416    HB2  ASN  58           2HB      ASN  58   0.385   2.011  -4.004
  417    HB3  ASN  58           1HB      ASN  58   1.961   2.705  -3.646
  418   HD21  ASN  58          1HD2      ASN  58   0.503   2.702  -1.429
  419   HD22  ASN  58          2HD2      ASN  58  -0.283   4.182  -1.121
  420    H    LEU  59           H        LEU  59   0.000   4.812  -7.346
  421    HA   LEU  59           HA       LEU  59  -2.649   3.505  -7.162
  422    HB2  LEU  59           2HB      LEU  59  -2.588   5.949  -7.403
  423    HB3  LEU  59           1HB      LEU  59  -1.658   5.792  -8.891
  424    HG   LEU  59           HG       LEU  59  -4.220   6.143  -9.096
  425   HD11  LEU  59          1HD1      LEU  59  -3.775   3.756 -10.667
  426   HD12  LEU  59          2HD1      LEU  59  -2.318   4.751 -10.642
  427   HD13  LEU  59          3HD1      LEU  59  -3.845   5.436 -11.198
  428   HD21  LEU  59          3HD2      LEU  59  -4.444   3.179  -8.860
  429   HD22  LEU  59          1HD2      LEU  59  -5.654   4.425  -8.555
  430   HD23  LEU  59          2HD2      LEU  59  -4.406   4.096  -7.354
  Start of MODEL   20
    1    H1   ARG   1           1HT      ARG   1   4.070  12.696   3.275
    2    H2   ARG   1           2HT      ARG   1   2.864  11.511   3.114
    3    H3   ARG   1           3HT      ARG   1   2.786  12.639   4.381
    4    HA   ARG   1           HA       ARG   1   2.064  14.323   3.073
    5    HB2  ARG   1           2HB      ARG   1   2.404  13.918   0.431
    6    HB3  ARG   1           1HB      ARG   1   3.629  14.676   1.436
    7    HG2  ARG   1           2HG      ARG   1   5.069  12.978   1.104
    8    HG3  ARG   1           1HG      ARG   1   3.858  11.785   1.556
    9    HD2  ARG   1           2HD      ARG   1   2.874  12.244  -0.813
   10    HD3  ARG   1           1HD      ARG   1   4.474  12.893  -1.166
   11    HE   ARG   1           HE       ARG   1   5.246  10.689  -1.216
   12   HH11  ARG   1          1HH2      ARG   1   2.400  10.985   0.711
   13   HH12  ARG   1          2HH2      ARG   1   2.246   9.282   0.973
   14   HH21  ARG   1          1HH1      ARG   1   5.024   8.469  -0.919
   15   HH22  ARG   1          2HH1      ARG   1   3.726   7.871   0.060
   16    H    ILE   2           H        ILE   2   1.393  12.498   0.217
   17    HA   ILE   2           HA       ILE   2  -1.103  11.433   1.481
   18    HB   ILE   2           HB       ILE   2  -0.989  12.957  -1.129
   19   HG12  ILE   2          2HG1      ILE   2  -2.748  14.162   0.690
   20   HG13  ILE   2          1HG1      ILE   2  -1.329  13.724   1.639
   21   HG21  ILE   2          1HG2      ILE   2  -3.100  12.212  -1.530
   22   HG22  ILE   2          2HG2      ILE   2  -3.581  12.413   0.155
   23   HG23  ILE   2          3HG2      ILE   2  -2.734  10.952  -0.353
   24   HD11  ILE   2          3HD1      ILE   2  -1.618  15.795  -0.406
   25   HD12  ILE   2          1HD1      ILE   2  -0.234  14.742  -0.695
   26   HD13  ILE   2          2HD1      ILE   2  -0.375  15.612   0.833
   27    H    CYS   3           H        CYS   3  -1.457   9.351   0.943
   28    HA   CYS   3           HA       CYS   3  -0.565   8.505  -1.734
   29    HB2  CYS   3           2HB      CYS   3   0.996   7.774   0.245
   30    HB3  CYS   3           1HB      CYS   3  -0.276   6.591   0.561
   31    H    TYR   4           H        TYR   4  -1.573   6.041  -2.012
   32    HA   TYR   4           HA       TYR   4  -4.436   6.516  -1.623
   33    HB2  TYR   4           2HB      TYR   4  -2.793   4.730  -3.353
   34    HB3  TYR   4           1HB      TYR   4  -4.447   4.239  -2.993
   35    HD1  TYR   4           2HD      TYR   4  -2.641   7.408  -3.824
   36    HD2  TYR   4           1HD      TYR   4  -6.046   4.903  -4.550
   37    HE1  TYR   4           2HE      TYR   4  -3.456   9.017  -5.519
   38    HE2  TYR   4           1HE      TYR   4  -6.869   6.513  -6.246
   39    HH   TYR   4           HH       TYR   4  -6.243   9.407  -6.482
   40    H    ASN   5           H        ASN   5  -5.838   5.110  -0.551
   41    HA   ASN   5           HA       ASN   5  -4.550   3.039   1.186
   42    HB2  ASN   5           2HB      ASN   5  -5.491   4.809   2.555
   43    HB3  ASN   5           1HB      ASN   5  -7.005   4.764   1.655
   44   HD21  ASN   5          1HD2      ASN   5  -5.389   1.733   2.406
   45   HD22  ASN   5          2HD2      ASN   5  -6.486   1.228   3.598
   46    H    HIS   6           H        HIS   6  -5.608   2.849  -1.616
   47    HA   HIS   6           HA       HIS   6  -8.139   1.445  -1.455
   48    HB2  HIS   6           2HB      HIS   6  -7.947   2.285  -3.558
   49    HB3  HIS   6           1HB      HIS   6  -6.195   2.160  -3.577
   50    HD1  HIS   6           1HD      HIS   6  -5.832   0.813  -5.689
   51    HD2  HIS   6           2HD      HIS   6  -8.689  -0.916  -3.193
   52    HE1  HIS   6           1HE      HIS   6  -6.388  -1.446  -6.692
   53    H    LEU   7           H        LEU   7  -8.526  -0.674  -1.285
   54    HA   LEU   7           HA       LEU   7  -6.186  -2.482  -0.848
   55    HB2  LEU   7           2HB      LEU   7  -9.046  -2.579   0.135
   56    HB3  LEU   7           1HB      LEU   7  -7.940  -3.945   0.289
   57    HG   LEU   7           HG       LEU   7  -6.538  -1.638   1.177
   58   HD11  LEU   7          1HD1      LEU   7  -8.725  -0.549   1.477
   59   HD12  LEU   7          2HD1      LEU   7  -8.001  -0.915   3.043
   60   HD13  LEU   7          3HD1      LEU   7  -9.295  -1.932   2.411
   61   HD21  LEU   7          3HD2      LEU   7  -7.508  -3.251   3.351
   62   HD22  LEU   7          1HD2      LEU   7  -5.895  -3.226   2.639
   63   HD23  LEU   7          2HD2      LEU   7  -7.131  -4.301   1.986
   64    H    GLY   8           H        GLY   8  -5.807  -4.029  -2.337
   65    HA2  GLY   8           2HA      GLY   8  -6.284  -4.689  -4.708
   66    HA3  GLY   8           1HA      GLY   8  -6.770  -5.967  -3.606
   67    H    THR   9           H        THR   9  -8.998  -6.368  -3.293
   68    HA   THR   9           HA       THR   9 -10.718  -5.338  -5.461
   69    HB   THR   9           HB       THR   9 -11.980  -7.146  -3.541
   70    HG1  THR   9           1HG      THR   9 -10.081  -8.095  -3.201
   71   HG21  THR   9          3HG2      THR   9 -11.321  -7.919  -6.339
   72   HG22  THR   9          1HG2      THR   9 -12.355  -6.507  -6.121
   73   HG23  THR   9          2HG2      THR   9 -12.842  -8.067  -5.459
   74    H    LYS  10           H        LYS  10 -10.410  -5.074  -1.970
   75    HA   LYS  10           HA       LYS  10 -12.935  -4.142  -1.223
   76    HB2  LYS  10           2HB      LYS  10 -10.244  -4.000  -0.196
   77    HB3  LYS  10           1HB      LYS  10 -11.057  -2.460   0.073
   78    HG2  LYS  10           2HG      LYS  10 -12.932  -3.599   1.158
   79    HG3  LYS  10           1HG      LYS  10 -12.218  -5.169   0.795
   80    HD2  LYS  10           2HD      LYS  10 -10.143  -4.202   2.099
   81    HD3  LYS  10           1HD      LYS  10 -11.343  -3.111   2.795
   82    HE2  LYS  10           2HE      LYS  10 -11.246  -6.125   2.947
   83    HE3  LYS  10           1HE      LYS  10 -11.312  -4.964   4.272
   84    HZ1  LYS  10           3HZ      LYS  10 -13.463  -5.703   2.380
   85    HZ2  LYS  10           1HZ      LYS  10 -13.539  -4.295   3.321
   86    HZ3  LYS  10           2HZ      LYS  10 -13.467  -5.815   4.075
   87    HA   PRO  11           HA       PRO  11 -13.524  -0.204  -3.041
   88    HB2  PRO  11           2HB      PRO  11 -14.057   1.511  -0.950
   89    HB3  PRO  11           1HB      PRO  11 -15.206   0.310  -1.566
   90    HG2  PRO  11           2HG      PRO  11 -13.560   0.235   0.924
   91    HG3  PRO  11           1HG      PRO  11 -15.130  -0.518   0.593
   92    HD2  PRO  11           2HD      PRO  11 -12.665  -1.854   0.596
   93    HD3  PRO  11           1HD      PRO  11 -14.157  -2.469  -0.141
   94    HA   PRO  12           HA       PRO  12  -9.435   1.557  -2.783
   95    HB2  PRO  12           2HB      PRO  12  -9.616   2.978  -5.129
   96    HB3  PRO  12           1HB      PRO  12  -9.272   1.241  -5.054
   97    HG2  PRO  12           2HG      PRO  12 -11.800   2.622  -5.829
   98    HG3  PRO  12           1HG      PRO  12 -11.193   1.031  -6.320
   99    HD2  PRO  12           2HD      PRO  12 -13.189   1.512  -4.374
  100    HD3  PRO  12           1HD      PRO  12 -12.331  -0.023  -4.631
  101    H    THR  13           H        THR  13  -8.974   3.270  -1.490
  102    HA   THR  13           HA       THR  13 -10.249   5.895  -2.056
  103    HB   THR  13           HB       THR  13 -11.615   5.513  -0.252
  104    HG1  THR  13           1HG      THR  13 -10.264   6.001   1.752
  105   HG21  THR  13          3HG2      THR  13 -10.892   3.152  -0.020
  106   HG22  THR  13          1HG2      THR  13 -11.122   3.920   1.551
  107   HG23  THR  13          2HG2      THR  13  -9.495   3.687   0.913
  108    H    THR  14           H        THR  14  -8.883   7.679  -1.377
  109    HA   THR  14           HA       THR  14  -6.081   6.871  -1.181
  110    HB   THR  14           HB       THR  14  -5.604   9.316  -1.320
  111    HG1  THR  14           1HG      THR  14  -7.218  10.717  -1.326
  112   HG21  THR  14          3HG2      THR  14  -7.562   8.428  -3.440
  113   HG22  THR  14          1HG2      THR  14  -5.922   7.792  -3.319
  114   HG23  THR  14          2HG2      THR  14  -6.180   9.509  -3.627
  115    H    GLU  15           H        GLU  15  -4.770   8.489   0.355
  116    HA   GLU  15           HA       GLU  15  -6.126   8.886   2.941
  117    HB2  GLU  15           2HB      GLU  15  -4.751   6.472   2.410
  118    HB3  GLU  15           1HB      GLU  15  -3.703   7.417   3.466
  119    HG2  GLU  15           2HG      GLU  15  -5.348   5.959   4.700
  120    HG3  GLU  15           1HG      GLU  15  -5.464   7.673   5.100
  121    H    THR  16           H        THR  16  -4.153   9.431   4.590
  122    HA   THR  16           HA       THR  16  -2.058  10.999   3.215
  123    HB   THR  16           HB       THR  16  -3.001  12.686   5.289
  124    HG1  THR  16           1HG      THR  16  -5.148  12.999   4.606
  125   HG21  THR  16          3HG2      THR  16  -3.813  13.913   3.018
  126   HG22  THR  16          1HG2      THR  16  -2.727  12.702   2.340
  127   HG23  THR  16          2HG2      THR  16  -2.126  13.853   3.532
  128    H    CYS  17           H        CYS  17  -0.167  10.704   4.337
  129    HA   CYS  17           HA       CYS  17  -0.386  10.022   7.236
  130    HB2  CYS  17           2HB      CYS  17   0.826   8.076   7.028
  131    HB3  CYS  17           1HB      CYS  17   0.082   8.089   5.434
  132    H    GLN  18           H        GLN  18   2.245   9.748   7.843
  133    HA   GLN  18           HA       GLN  18   3.276  12.505   7.445
  134    HB2  GLN  18           2HB      GLN  18   3.226  11.623   9.747
  135    HB3  GLN  18           1HB      GLN  18   4.236  10.270   9.254
  136    HG2  GLN  18           2HG      GLN  18   5.568  12.116  10.285
  137    HG3  GLN  18           1HG      GLN  18   6.039  11.779   8.624
  138   HE21  GLN  18          1HE2      GLN  18   5.124  13.270   6.914
  139   HE22  GLN  18          2HE2      GLN  18   4.728  14.864   7.337
  140    H    GLU  19           H        GLU  19   4.128   9.125   7.029
  141    HA   GLU  19           HA       GLU  19   6.766   9.562   6.028
  142    HB2  GLU  19           2HB      GLU  19   5.159   7.285   4.983
  143    HB3  GLU  19           1HB      GLU  19   6.826   7.306   5.549
  144    HG2  GLU  19           2HG      GLU  19   5.986   6.341   7.427
  145    HG3  GLU  19           1HG      GLU  19   5.477   7.980   7.838
  146    H    ASP  20           H        ASP  20   7.450  10.162   4.057
  147    HA   ASP  20           HA       ASP  20   5.434  10.986   2.084
  148    HB2  ASP  20           2HB      ASP  20   8.110  11.118   1.020
  149    HB3  ASP  20           1HB      ASP  20   7.012  12.441   1.391
  150    H    SER  21           H        SER  21   6.680   8.117   2.922
  151    HA   SER  21           HA       SER  21   7.324   7.117   0.269
  152    HB2  SER  21           2HB      SER  21   6.833   4.980   2.085
  153    HB3  SER  21           1HB      SER  21   8.388   5.562   1.500
  154    HG   SER  21           HG       SER  21   8.595   6.020   3.568
  155    H    CYS  22           H        CYS  22   6.042   5.060  -0.441
  156    HA   CYS  22           HA       CYS  22   3.127   5.314   0.206
  157    HB2  CYS  22           2HB      CYS  22   4.569   5.547  -2.394
  158    HB3  CYS  22           1HB      CYS  22   3.100   4.578  -2.407
  159    H    TYR  23           H        TYR  23   2.398   3.178   0.769
  160    HA   TYR  23           HA       TYR  23   4.249   1.038  -0.153
  161    HB2  TYR  23           2HB      TYR  23   3.826  -0.254   1.748
  162    HB3  TYR  23           1HB      TYR  23   4.017   1.373   2.356
  163    HD1  TYR  23           1HD      TYR  23   1.319  -0.893   1.082
  164    HD2  TYR  23           2HD      TYR  23   2.438   2.141   3.898
  165    HE1  TYR  23           1HE      TYR  23  -0.877  -1.113   2.174
  166    HE2  TYR  23           2HE      TYR  23   0.226   1.926   4.996
  167    HH   TYR  23           HH       TYR  23  -1.561  -0.079   5.155
  168    H    LYS  24           H        LYS  24   3.621  -0.581  -1.255
  169    HA   LYS  24           HA       LYS  24   0.728  -1.168  -1.610
  170    HB2  LYS  24           2HB      LYS  24   2.384   0.085  -3.585
  171    HB3  LYS  24           1HB      LYS  24   2.028  -1.561  -4.110
  172    HG2  LYS  24           2HG      LYS  24  -0.401  -0.977  -3.319
  173    HG3  LYS  24           1HG      LYS  24   0.136   0.685  -3.573
  174    HD2  LYS  24           2HD      LYS  24   0.454  -1.494  -5.646
  175    HD3  LYS  24           1HD      LYS  24  -0.925  -0.397  -5.605
  176    HE2  LYS  24           2HE      LYS  24   0.297   1.096  -6.765
  177    HE3  LYS  24           1HE      LYS  24   1.371   1.230  -5.374
  178    HZ1  LYS  24           3HZ      LYS  24   2.573   0.606  -7.378
  179    HZ2  LYS  24           1HZ      LYS  24   1.610  -0.779  -7.547
  180    HZ3  LYS  24           2HZ      LYS  24   2.652  -0.628  -6.214
  181    H    ASN  25           H        ASN  25   0.862  -3.160  -0.616
  182    HA   ASN  25           HA       ASN  25   2.958  -5.007  -1.690
  183    HB2  ASN  25           2HB      ASN  25   2.555  -6.144   0.652
  184    HB3  ASN  25           1HB      ASN  25   3.611  -4.747   0.518
  185   HD21  ASN  25          1HD2      ASN  25   2.290  -2.545   0.705
  186   HD22  ASN  25          2HD2      ASN  25   1.174  -2.513   1.979
  187    H    ILE  26           H        ILE  26   2.319  -7.379  -1.267
  188    HA   ILE  26           HA       ILE  26  -0.560  -7.729  -1.993
  189    HB   ILE  26           HB       ILE  26   0.038  -9.483  -3.460
  190   HG12  ILE  26          2HG1      ILE  26   1.654 -10.549  -1.816
  191   HG13  ILE  26          1HG1      ILE  26   2.165 -10.604  -3.500
  192   HG21  ILE  26          1HG2      ILE  26   2.425  -8.232  -4.327
  193   HG22  ILE  26          2HG2      ILE  26   1.414  -6.964  -3.635
  194   HG23  ILE  26          3HG2      ILE  26   0.791  -7.974  -4.940
  195   HD11  ILE  26          3HD1      ILE  26   4.112  -9.727  -2.732
  196   HD12  ILE  26          1HD1      ILE  26   3.381  -9.198  -1.219
  197   HD13  ILE  26          2HD1      ILE  26   3.229  -8.204  -2.666
  198    H    TRP  27           H        TRP  27   1.544  -8.149   0.492
  199    HA   TRP  27           HA       TRP  27   0.725 -10.855   1.287
  200    HB2  TRP  27           2HB      TRP  27   2.226  -8.735   2.838
  201    HB3  TRP  27           1HB      TRP  27   2.119 -10.449   3.249
  202    HD1  TRP  27           HD       TRP  27   4.050  -8.031   1.157
  203    HE1  TRP  27           1HE      TRP  27   5.775  -9.291  -0.286
  204    HE3  TRP  27           3HE      TRP  27   2.474 -12.830   1.892
  205    HZ2  TRP  27           2HZ      TRP  27   6.406 -11.983  -1.026
  206    HZ3  TRP  27           3HZ      TRP  27   3.651 -14.721   0.810
  207    HH2  TRP  27           HH       TRP  27   5.615 -14.305  -0.647
  208    H    THR  28           H        THR  28  -1.574 -10.596   1.470
  209    HA   THR  28           HA       THR  28  -2.401  -9.554   4.070
  210    HB   THR  28           HB       THR  28  -2.682  -7.961   1.657
  211    HG1  THR  28           1HG      THR  28  -2.001  -7.104   3.575
  212   HG21  THR  28          3HG2      THR  28  -5.255  -8.348   3.212
  213   HG22  THR  28          1HG2      THR  28  -4.950  -9.126   1.660
  214   HG23  THR  28          2HG2      THR  28  -5.005  -7.367   1.767
  215    H    PHE  29           H        PHE  29  -3.970 -10.898   4.829
  216    HA   PHE  29           HA       PHE  29  -4.968 -13.031   3.121
  217    HB2  PHE  29           2HB      PHE  29  -4.425 -13.250   5.590
  218    HB3  PHE  29           1HB      PHE  29  -5.895 -12.333   5.918
  219    HD1  PHE  29           2HD      PHE  29  -8.114 -13.220   5.130
  220    HD2  PHE  29           1HD      PHE  29  -4.515 -15.557   4.979
  221    HE1  PHE  29           2HE      PHE  29  -9.466 -15.285   4.886
  222    HE2  PHE  29           1HE      PHE  29  -5.865 -17.623   4.733
  223    HZ   PHE  29           HZ       PHE  29  -8.341 -17.487   4.687
  224    H    ASP  30           H        ASP  30  -6.675 -10.510   5.030
  225    HA   ASP  30           HA       ASP  30  -9.260 -10.895   4.137
  226    HB2  ASP  30           2HB      ASP  30  -7.842  -8.233   4.461
  227    HB3  ASP  30           1HB      ASP  30  -9.592  -8.434   4.365
  228    H    ASN  31           H        ASN  31  -7.019  -8.620   2.504
  229    HA   ASN  31           HA       ASN  31  -8.524  -9.182  -0.018
  230    HB2  ASN  31           2HB      ASN  31  -6.778  -6.765   0.392
  231    HB3  ASN  31           1HB      ASN  31  -8.149  -6.968  -0.699
  232   HD21  ASN  31          1HD2      ASN  31  -7.372  -6.801   2.812
  233   HD22  ASN  31          2HD2      ASN  31  -8.871  -6.145   3.265
  234    H    ILE  32           H        ILE  32  -6.276  -7.688  -1.429
  235    HA   ILE  32           HA       ILE  32  -4.178  -9.805  -1.241
  236    HB   ILE  32           HB       ILE  32  -4.989  -8.597  -3.876
  237   HG12  ILE  32          2HG1      ILE  32  -7.046  -9.540  -2.938
  238   HG13  ILE  32          1HG1      ILE  32  -6.442 -10.602  -4.210
  239   HG21  ILE  32          1HG2      ILE  32  -4.023 -10.701  -4.724
  240   HG22  ILE  32          2HG2      ILE  32  -3.740 -11.241  -3.069
  241   HG23  ILE  32          3HG2      ILE  32  -2.864  -9.849  -3.703
  242   HD11  ILE  32          3HD1      ILE  32  -6.974 -11.275  -1.503
  243   HD12  ILE  32          1HD1      ILE  32  -5.224 -11.343  -1.714
  244   HD13  ILE  32          2HD1      ILE  32  -6.276 -12.306  -2.752
  245    H    ILE  33           H        ILE  33  -4.647  -6.875  -3.242
  246    HA   ILE  33           HA       ILE  33  -1.893  -6.045  -2.569
  247    HB   ILE  33           HB       ILE  33  -3.568  -4.188  -4.133
  248   HG12  ILE  33          2HG1      ILE  33  -4.573  -6.197  -4.967
  249   HG13  ILE  33          1HG1      ILE  33  -3.409  -5.665  -6.178
  250   HG21  ILE  33          1HG2      ILE  33  -1.147  -3.933  -3.907
  251   HG22  ILE  33          2HG2      ILE  33  -1.566  -4.245  -5.591
  252   HG23  ILE  33          3HG2      ILE  33  -0.895  -5.536  -4.595
  253   HD11  ILE  33          3HD1      ILE  33  -2.163  -7.393  -4.197
  254   HD12  ILE  33          1HD1      ILE  33  -2.200  -7.555  -5.953
  255   HD13  ILE  33          2HD1      ILE  33  -3.525  -8.193  -4.980
  256    H    ARG  34           H        ARG  34  -1.437  -3.991  -1.586
  257    HA   ARG  34           HA       ARG  34  -3.769  -2.565  -0.458
  258    HB2  ARG  34           2HB      ARG  34  -2.985  -4.292   1.214
  259    HB3  ARG  34           1HB      ARG  34  -1.494  -3.353   1.343
  260    HG2  ARG  34           2HG      ARG  34  -2.667  -1.418   2.099
  261    HG3  ARG  34           1HG      ARG  34  -4.225  -2.105   1.662
  262    HD2  ARG  34           2HD      ARG  34  -4.006  -2.326   4.039
  263    HD3  ARG  34           1HD      ARG  34  -3.782  -3.932   3.346
  264    HE   ARG  34           HE       ARG  34  -1.280  -2.465   3.718
  265   HH11  ARG  34          1HH1      ARG  34  -2.670  -2.651   6.409
  266   HH12  ARG  34          2HH1      ARG  34  -2.041  -4.146   7.017
  267   HH21  ARG  34          1HH2      ARG  34  -0.883  -5.219   3.929
  268   HH22  ARG  34          2HH2      ARG  34  -1.030  -5.601   5.611
  269    H    ARG  35           H        ARG  35  -3.407  -0.698  -1.358
  270    HA   ARG  35           HA       ARG  35  -0.731   0.518  -1.515
  271    HB2  ARG  35           2HB      ARG  35  -3.393   1.728  -2.275
  272    HB3  ARG  35           1HB      ARG  35  -1.802   2.243  -2.808
  273    HG2  ARG  35           2HG      ARG  35  -1.802   0.752  -4.484
  274    HG3  ARG  35           1HG      ARG  35  -2.201  -0.564  -3.380
  275    HD2  ARG  35           2HD      ARG  35  -4.577   0.020  -3.502
  276    HD3  ARG  35           1HD      ARG  35  -4.204   1.390  -4.550
  277    HE   ARG  35           HE       ARG  35  -4.520  -1.301  -5.443
  278   HH11  ARG  35          1HH2      ARG  35  -3.828   1.678  -6.607
  279   HH12  ARG  35          2HH2      ARG  35  -2.698   1.180  -7.823
  280   HH21  ARG  35          1HH1      ARG  35  -2.452  -2.071  -6.638
  281   HH22  ARG  35          2HH1      ARG  35  -1.919  -0.942  -7.839
  282    H    GLY  36           H        GLY  36   0.014   1.908   0.034
  283    HA2  GLY  36           2HA      GLY  36  -1.908   3.444   1.672
  284    HA3  GLY  36           1HA      GLY  36  -0.851   2.339   2.525
  285    H    CYS  37           H        CYS  37   0.258   3.952   3.611
  286    HA   CYS  37           HA       CYS  37   2.018   5.682   1.923
  287    HB2  CYS  37           2HB      CYS  37   0.099   6.833   3.156
  288    HB3  CYS  37           1HB      CYS  37   0.924   6.398   4.651
  289    H    GLY  38           H        GLY  38   4.182   5.272   2.307
  290    HA2  GLY  38           2HA      GLY  38   6.045   5.100   3.896
  291    HA3  GLY  38           1HA      GLY  38   4.964   4.220   4.979
  292    H    CYS  39           H        CYS  39   6.528   2.460   4.956
  293    HA   CYS  39           HA       CYS  39   6.471   0.905   2.412
  294    HB2  CYS  39           2HB      CYS  39   8.508   0.791   4.662
  295    HB3  CYS  39           1HB      CYS  39   8.526  -0.218   3.216
  296    H    PHE  40           H        PHE  40   6.617  -1.493   2.859
  297    HA   PHE  40           HA       PHE  40   4.345  -2.278   4.438
  298    HB2  PHE  40           2HB      PHE  40   5.788  -4.627   4.052
  299    HB3  PHE  40           1HB      PHE  40   4.557  -3.988   2.963
  300    HD1  PHE  40           2HD      PHE  40   5.172  -2.691   0.981
  301    HD2  PHE  40           1HD      PHE  40   8.146  -4.404   3.557
  302    HE1  PHE  40           2HE      PHE  40   6.897  -2.290  -0.754
  303    HE2  PHE  40           1HE      PHE  40   9.879  -3.999   1.829
  304    HZ   PHE  40           HZ       PHE  40   9.259  -2.939  -0.332
  305    H    THR  41           H        THR  41   4.891  -4.392   5.928
  306    HA   THR  41           HA       THR  41   6.433  -3.212   8.131
  307    HB   THR  41           HB       THR  41   4.252  -5.168   7.904
  308    HG1  THR  41           1HG      THR  41   3.871  -3.222   8.824
  309   HG21  THR  41          3HG2      THR  41   6.369  -5.490  10.057
  310   HG22  THR  41          1HG2      THR  41   5.969  -6.678   8.815
  311   HG23  THR  41          2HG2      THR  41   4.788  -6.273  10.061
  312    HA   PRO  42           HA       PRO  42   8.923  -7.189   7.844
  313    HB2  PRO  42           2HB      PRO  42   8.144  -9.193   6.139
  314    HB3  PRO  42           1HB      PRO  42   7.531  -9.021   7.793
  315    HG2  PRO  42           2HG      PRO  42   6.139  -8.499   5.230
  316    HG3  PRO  42           1HG      PRO  42   5.454  -8.806   6.833
  317    HD2  PRO  42           2HD      PRO  42   5.759  -6.277   5.517
  318    HD3  PRO  42           1HD      PRO  42   5.139  -6.563   7.154
  319    H    ARG  43           H        ARG  43   9.444  -5.019   6.156
  320    HA   ARG  43           HA       ARG  43   9.924  -5.578   3.430
  321    HB2  ARG  43           2HB      ARG  43  11.839  -3.941   3.642
  322    HB3  ARG  43           1HB      ARG  43  10.302  -3.349   4.248
  323    HG2  ARG  43           2HG      ARG  43  11.097  -4.285   6.544
  324    HG3  ARG  43           1HG      ARG  43  12.698  -4.279   5.805
  325    HD2  ARG  43           2HD      ARG  43  11.070  -1.808   5.492
  326    HD3  ARG  43           1HD      ARG  43  11.714  -2.139   7.100
  327    HE   ARG  43           HE       ARG  43  13.972  -2.406   5.785
  328   HH11  ARG  43          1HH1      ARG  43  11.718  -1.045   3.787
  329   HH12  ARG  43          2HH1      ARG  43  12.542   0.460   3.549
  330   HH21  ARG  43          1HH2      ARG  43  14.899  -0.142   6.024
  331   HH22  ARG  43          2HH2      ARG  43  14.345   0.972   4.818
  332    H    GLY  44           H        GLY  44  11.578  -6.677   2.355
  333    HA2  GLY  44           2HA      GLY  44  14.067  -7.388   3.387
  334    HA3  GLY  44           1HA      GLY  44  12.971  -8.684   3.854
  335    H    ASP  45           H        ASP  45  14.367 -10.026   2.410
  336    HA   ASP  45           HA       ASP  45  14.054  -9.498  -0.485
  337    HB2  ASP  45           2HB      ASP  45  15.566 -11.689   0.969
  338    HB3  ASP  45           1HB      ASP  45  15.630 -11.368  -0.765
  339    H    MET  46           H        MET  46  13.075 -11.903   1.951
  340    HA   MET  46           HA       MET  46  12.007 -13.864   0.266
  341    HB2  MET  46           2HB      MET  46  11.876 -13.287   3.008
  342    HB3  MET  46           1HB      MET  46  10.197 -13.383   2.473
  343    HG2  MET  46           2HG      MET  46  12.167 -15.476   1.589
  344    HG3  MET  46           1HG      MET  46  11.433 -15.581   3.189
  345    HE1  MET  46           3HE      MET  46   9.907 -16.382  -0.886
  346    HE2  MET  46           1HE      MET  46  10.732 -17.608   0.087
  347    HE3  MET  46           2HE      MET  46  11.508 -16.056  -0.225
  348    HA   PRO  47           HA       PRO  47   7.963 -11.392  -0.112
  349    HB2  PRO  47           2HB      PRO  47   7.829  -8.943   1.126
  350    HB3  PRO  47           1HB      PRO  47   7.401 -10.464   1.929
  351    HG2  PRO  47           2HG      PRO  47   9.802  -8.756   2.321
  352    HG3  PRO  47           1HG      PRO  47   9.071  -9.934   3.424
  353    HD2  PRO  47           2HD      PRO  47  11.381 -10.321   1.788
  354    HD3  PRO  47           1HD      PRO  47  10.549 -11.549   2.760
  355    H    GLY  48           H        GLY  48   7.270  -9.378  -1.433
  356    HA2  GLY  48           2HA      GLY  48   9.469  -7.720  -2.410
  357    HA3  GLY  48           1HA      GLY  48   8.787  -8.819  -3.601
  358    HA   PRO  49           HA       PRO  49   5.134  -5.958  -2.638
  359    HB2  PRO  49           2HB      PRO  49   5.255  -4.359  -0.414
  360    HB3  PRO  49           1HB      PRO  49   4.616  -6.009  -0.404
  361    HG2  PRO  49           2HG      PRO  49   7.210  -5.013   0.654
  362    HG3  PRO  49           1HG      PRO  49   6.274  -6.426   1.143
  363    HD2  PRO  49           2HD      PRO  49   8.577  -6.444  -0.504
  364    HD3  PRO  49           1HD      PRO  49   7.442  -7.784  -0.249
  365    H    TYR  50           H        TYR  50   4.871  -3.222  -2.189
  366    HA   TYR  50           HA       TYR  50   7.328  -2.092  -3.465
  367    HB2  TYR  50           2HB      TYR  50   4.710  -2.401  -4.594
  368    HB3  TYR  50           1HB      TYR  50   5.097  -0.685  -4.474
  369    HD1  TYR  50           2HD      TYR  50   7.352   0.117  -5.381
  370    HD2  TYR  50           1HD      TYR  50   5.712  -3.757  -6.253
  371    HE1  TYR  50           2HE      TYR  50   8.869  -0.086  -7.333
  372    HE2  TYR  50           1HE      TYR  50   7.228  -3.958  -8.205
  373    HH   TYR  50           HH       TYR  50   8.837  -1.393  -9.555
  374    H    CYS  51           H        CYS  51   8.123  -0.421  -2.367
  375    HA   CYS  51           HA       CYS  51   6.270   1.412  -0.841
  376    HB2  CYS  51           2HB      CYS  51   8.176   0.159   0.447
  377    HB3  CYS  51           1HB      CYS  51   9.250   1.247  -0.423
  378    H    CYS  52           H        CYS  52   6.425   3.566  -1.489
  379    HA   CYS  52           HA       CYS  52   8.482   4.239  -3.557
  380    HB2  CYS  52           2HB      CYS  52   6.466   3.782  -4.800
  381    HB3  CYS  52           1HB      CYS  52   5.503   4.742  -3.691
  382    H    GLU  53           H        GLU  53   8.672   6.652  -3.801
  383    HA   GLU  53           HA       GLU  53   7.984   7.985  -1.216
  384    HB2  GLU  53           2HB      GLU  53  10.360   8.769  -2.899
  385    HB3  GLU  53           1HB      GLU  53  10.048   9.108  -1.196
  386    HG2  GLU  53           2HG      GLU  53  10.962   7.153  -0.536
  387    HG3  GLU  53           1HG      GLU  53  10.070   6.240  -1.751
  388    H    SER  54           H        SER  54   6.011   8.314  -2.803
  389    HA   SER  54           HA       SER  54   6.180  11.098  -3.697
  390    HB2  SER  54           2HB      SER  54   5.062   9.339  -5.804
  391    HB3  SER  54           1HB      SER  54   6.024  10.807  -5.960
  392    HG   SER  54           HG       SER  54   7.642   9.520  -6.292
  393    H    ASP  55           H        ASP  55   4.032  12.007  -3.971
  394    HA   ASP  55           HA       ASP  55   2.040  10.714  -2.325
  395    HB2  ASP  55           2HB      ASP  55   1.344  12.908  -4.256
  396    HB3  ASP  55           1HB      ASP  55   0.749  12.627  -2.621
  397    H    LYS  56           H        LYS  56  -0.051   9.946  -3.042
  398    HA   LYS  56           HA       LYS  56  -1.224   8.400  -4.395
  399    HB2  LYS  56           2HB      LYS  56  -0.590  10.546  -6.442
  400    HB3  LYS  56           1HB      LYS  56  -1.924   9.393  -6.518
  401    HG2  LYS  56           2HG      LYS  56  -2.811  10.328  -4.387
  402    HG3  LYS  56           1HG      LYS  56  -1.521  11.530  -4.404
  403    HD2  LYS  56           2HD      LYS  56  -2.848  12.835  -5.672
  404    HD3  LYS  56           1HD      LYS  56  -2.673  11.650  -6.967
  405    HE2  LYS  56           2HE      LYS  56  -5.049  12.028  -6.512
  406    HE3  LYS  56           1HE      LYS  56  -4.607  10.388  -6.038
  407    HZ1  LYS  56           3HZ      LYS  56  -5.941  11.472  -4.342
  408    HZ2  LYS  56           1HZ      LYS  56  -4.803  12.722  -4.213
  409    HZ3  LYS  56           2HZ      LYS  56  -4.380  11.140  -3.758
  410    H    CYS  57           H        CYS  57   1.703   7.951  -4.258
  411    HA   CYS  57           HA       CYS  57   2.645   7.317  -6.916
  412    HB2  CYS  57           2HB      CYS  57   4.025   7.702  -4.753
  413    HB3  CYS  57           1HB      CYS  57   3.688   6.003  -4.415
  414    H    ASN  58           H        ASN  58   0.791   5.472  -4.514
  415    HA   ASN  58           HA       ASN  58   1.266   3.006  -6.002
  416    HB2  ASN  58           2HB      ASN  58  -0.611   2.192  -4.340
  417    HB3  ASN  58           1HB      ASN  58   1.039   2.445  -3.779
  418   HD21  ASN  58          1HD2      ASN  58  -0.033   2.767  -1.602
  419   HD22  ASN  58          2HD2      ASN  58  -0.711   4.275  -1.233
  420    H    LEU  59           H        LEU  59  -0.257   5.439  -7.121
  421    HA   LEU  59           HA       LEU  59  -2.623   3.851  -8.031
  422    HB2  LEU  59           2HB      LEU  59  -3.079   5.921  -6.536
  423    HB3  LEU  59           1HB      LEU  59  -2.607   6.866  -7.949
  424    HG   LEU  59           HG       LEU  59  -5.065   6.482  -7.866
  425   HD11  LEU  59          1HD1      LEU  59  -5.242   6.146 -10.147
  426   HD12  LEU  59          2HD1      LEU  59  -4.103   4.800 -10.144
  427   HD13  LEU  59          3HD1      LEU  59  -3.510   6.458 -10.031
  428   HD21  LEU  59          3HD2      LEU  59  -4.415   4.004  -6.922
  429   HD22  LEU  59          1HD2      LEU  59  -4.760   3.632  -8.611
  430   HD23  LEU  59          2HD2      LEU  59  -5.988   4.406  -7.610